USER MOD reduce.3.24.130724 H: found=0, std=0, add=1513, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 THR OG1 : rot -66:sc= 1.22 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.201 USER MOD Set 2.1: B 7 THR OG1 : rot 150:sc= -0.153 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.111 USER MOD Set 3.1: B 6 LYS NZ :NH3+ -114:sc= 1.76 (180deg=0.267) USER MOD Set 3.2: B 12 THR OG1 : rot 180:sc= 0.509 USER MOD Set 4.1: A 116 GLN : amide:sc= 0 K(o=1,f=0.38) USER MOD Set 4.2: A 120 HIS : no HD1:sc= 1.05 K(o=1,f=-5.2!) USER MOD Set 5.1: A 66 SER OG : rot -84:sc= 2.29 USER MOD Set 5.2: A 68 THR OG1 : rot 82:sc= 1.06 USER MOD Set 6.1: A 52 THR OG1 : rot 85:sc= 1.28 USER MOD Set 6.2: A 58 HIS : no HE2:sc= -0.0931 X(o=1.2,f=1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -96:sc= 2.4 (180deg=-1.08) USER MOD Single : A 31 MET CE :methyl 177:sc=-0.00647 (180deg=-0.0235) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -30:sc= 0.319 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 51 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.75) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -89:sc= 0.758 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 80 CYS SG : rot -41:sc= -5.48! USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= 1.87 (180deg=1.38) USER MOD Single : A 87 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.2) USER MOD Single : A 88 CYS SG : rot -120:sc= -0.407 USER MOD Single : A 90 SER OG : rot -160:sc= -0.146 USER MOD Single : A 94 TYR OH : rot -150:sc= 1.18 USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= 0.203 (180deg=-1.25) USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.06) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= 0.00605 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.78! X(o=-1.8!,f=-1.7) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.074 USER MOD Single : A 121 CYS SG : rot 79:sc= -0.687 USER MOD Single : A 123 LYS NZ :NH3+ -157:sc= 1.17 (180deg=-0.152) USER MOD Single : A 125 ASN : amide:sc= 0.0287 K(o=0.029,f=-1.1) USER MOD Single : A 127 CYS SG : rot 67:sc= 1.1 USER MOD Single : A 129 ASN : amide:sc= 0.503 K(o=0.5,f=0) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 1 MET CE :methyl -165:sc= 0 (180deg=-0.242) USER MOD Single : B 1 MET N :NH3+ 155:sc= 1.08 (180deg=0.709) USER MOD Single : B 2 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.8!) USER MOD Single : B 11 LYS NZ :NH3+ -110:sc= 1.05 (180deg=-1.42!) USER MOD Single : B 14 THR OG1 : rot -94:sc= 0.471 USER MOD Single : B 20 SER OG : rot 180:sc= 0.14 USER MOD Single : B 22 THR OG1 : rot 180:sc= -1.69! USER MOD Single : B 25 ASN : amide:sc= 0.991 K(o=0.99,f=-1.1) USER MOD Single : B 27 LYS NZ :NH3+ 131:sc= 1.66 (180deg=0.507) USER MOD Single : B 29 LYS NZ :NH3+ -114:sc= 1.22 (180deg=-1.64!) USER MOD Single : B 31 GLN : amide:sc= -0.0851 K(o=-0.085,f=-1.3!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 41 GLN : amide:sc= -0.0625 K(o=-0.062,f=-6.5!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= 0.395 X(o=0.39,f=0) USER MOD Single : B 59 TYR OH : rot 56:sc= 0.417 USER MOD Single : B 60 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.7!) USER MOD Single : B 62 GLN : amide:sc= 0.915 K(o=0.92,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 75:sc= 0.798 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : +bothHN:sc= -1.38! C(o=-1.4!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 22 12.402 -7.253 -8.743 1.00 45.61 N ATOM 2 CA TYR A 22 11.317 -6.810 -7.841 1.00 43.51 C ATOM 3 C TYR A 22 11.656 -7.191 -6.412 1.00 43.60 C ATOM 4 O TYR A 22 12.546 -8.008 -6.185 1.00 44.61 O ATOM 5 CB TYR A 22 9.983 -7.455 -8.239 1.00 47.56 C ATOM 6 CG TYR A 22 9.565 -7.191 -9.671 1.00 46.63 C ATOM 7 CD1 TYR A 22 9.378 -5.894 -10.138 1.00 50.27 C ATOM 8 CD2 TYR A 22 9.349 -8.242 -10.554 1.00 46.46 C ATOM 9 CE1 TYR A 22 8.990 -5.655 -11.444 1.00 50.44 C ATOM 10 CE2 TYR A 22 8.959 -8.010 -11.858 1.00 48.24 C ATOM 11 CZ TYR A 22 8.782 -6.717 -12.299 1.00 52.62 C ATOM 12 OH TYR A 22 8.393 -6.483 -13.598 1.00 54.99 O ATOM 0 HA TYR A 22 11.219 -5.727 -7.922 1.00 43.51 H new ATOM 0 HB2 TYR A 22 10.054 -8.532 -8.086 1.00 47.56 H new ATOM 0 HB3 TYR A 22 9.203 -7.089 -7.572 1.00 47.56 H new ATOM 0 HD1 TYR A 22 9.538 -5.060 -9.470 1.00 50.27 H new ATOM 0 HD2 TYR A 22 9.489 -9.258 -10.214 1.00 46.46 H new ATOM 0 HE1 TYR A 22 8.851 -4.642 -11.792 1.00 50.44 H new ATOM 0 HE2 TYR A 22 8.793 -8.839 -12.530 1.00 48.24 H new ATOM 0 HH TYR A 22 8.291 -7.337 -14.068 1.00 54.99 H new ATOM 24 N LEU A 23 10.947 -6.608 -5.455 1.00 31.65 N ATOM 25 CA LEU A 23 11.186 -6.905 -4.050 1.00 32.60 C ATOM 26 C LEU A 23 10.761 -8.335 -3.733 1.00 33.92 C ATOM 27 O LEU A 23 11.590 -9.242 -3.648 1.00 33.21 O ATOM 28 CB LEU A 23 10.422 -5.928 -3.150 1.00 31.36 C ATOM 29 CG LEU A 23 10.811 -4.457 -3.288 1.00 32.85 C ATOM 30 CD1 LEU A 23 9.942 -3.602 -2.385 1.00 37.08 C ATOM 31 CD2 LEU A 23 12.279 -4.254 -2.953 1.00 41.11 C ATOM 0 H LEU A 23 10.205 -5.929 -5.625 1.00 31.65 H new ATOM 0 HA LEU A 23 12.253 -6.796 -3.857 1.00 32.60 H new ATOM 0 HB2 LEU A 23 9.357 -6.025 -3.362 1.00 31.36 H new ATOM 0 HB3 LEU A 23 10.569 -6.228 -2.112 1.00 31.36 H new ATOM 0 HG LEU A 23 10.652 -4.154 -4.323 1.00 32.85 H new ATOM 0 HD11 LEU A 23 10.227 -2.555 -2.491 1.00 37.08 H new ATOM 0 HD12 LEU A 23 8.896 -3.723 -2.666 1.00 37.08 H new ATOM 0 HD13 LEU A 23 10.078 -3.912 -1.349 1.00 37.08 H new ATOM 0 HD21 LEU A 23 12.534 -3.199 -3.058 1.00 41.11 H new ATOM 0 HD22 LEU A 23 12.465 -4.572 -1.927 1.00 41.11 H new ATOM 0 HD23 LEU A 23 12.892 -4.845 -3.633 1.00 41.11 H new ATOM 43 N VAL A 24 9.460 -8.529 -3.581 1.00 28.03 N ATOM 44 CA VAL A 24 8.906 -9.838 -3.282 1.00 29.15 C ATOM 45 C VAL A 24 7.961 -10.264 -4.395 1.00 22.96 C ATOM 46 O VAL A 24 7.270 -9.430 -4.978 1.00 24.25 O ATOM 47 CB VAL A 24 8.131 -9.845 -1.943 1.00 32.80 C ATOM 48 CG1 VAL A 24 7.924 -11.269 -1.449 1.00 42.00 C ATOM 49 CG2 VAL A 24 8.855 -9.014 -0.896 1.00 41.63 C ATOM 0 H VAL A 24 8.763 -7.788 -3.661 1.00 28.03 H new ATOM 0 HA VAL A 24 9.741 -10.533 -3.201 1.00 29.15 H new ATOM 0 HB VAL A 24 7.152 -9.397 -2.115 1.00 32.80 H new ATOM 0 HG11 VAL A 24 7.377 -11.251 -0.506 1.00 42.00 H new ATOM 0 HG12 VAL A 24 7.354 -11.831 -2.189 1.00 42.00 H new ATOM 0 HG13 VAL A 24 8.892 -11.746 -1.298 1.00 42.00 H new ATOM 0 HG21 VAL A 24 8.292 -9.033 0.037 1.00 41.63 H new ATOM 0 HG22 VAL A 24 9.850 -9.427 -0.728 1.00 41.63 H new ATOM 0 HG23 VAL A 24 8.943 -7.985 -1.245 1.00 41.63 H new ATOM 59 N GLU A 25 7.959 -11.551 -4.704 1.00 24.89 N ATOM 60 CA GLU A 25 7.090 -12.092 -5.736 1.00 23.60 C ATOM 61 C GLU A 25 6.788 -13.554 -5.451 1.00 24.58 C ATOM 62 O GLU A 25 7.650 -14.287 -4.958 1.00 25.27 O ATOM 63 CB GLU A 25 7.722 -11.936 -7.122 1.00 29.00 C ATOM 64 CG GLU A 25 9.167 -12.402 -7.201 1.00 33.54 C ATOM 65 CD GLU A 25 9.658 -12.532 -8.629 1.00 42.16 C ATOM 66 OE1 GLU A 25 9.868 -11.494 -9.288 1.00 44.93 O ATOM 67 OE2 GLU A 25 9.836 -13.677 -9.098 1.00 53.32 O ATOM 0 H GLU A 25 8.554 -12.244 -4.251 1.00 24.89 H new ATOM 0 HA GLU A 25 6.156 -11.531 -5.727 1.00 23.60 H new ATOM 0 HB2 GLU A 25 7.130 -12.498 -7.845 1.00 29.00 H new ATOM 0 HB3 GLU A 25 7.673 -10.888 -7.416 1.00 29.00 H new ATOM 0 HG2 GLU A 25 9.802 -11.697 -6.665 1.00 33.54 H new ATOM 0 HG3 GLU A 25 9.263 -13.364 -6.698 1.00 33.54 H new ATOM 74 N PHE A 26 5.560 -13.962 -5.732 1.00 22.47 N ATOM 75 CA PHE A 26 5.128 -15.337 -5.513 1.00 21.66 C ATOM 76 C PHE A 26 3.860 -15.621 -6.309 1.00 24.04 C ATOM 77 O PHE A 26 3.217 -14.697 -6.813 1.00 22.30 O ATOM 78 CB PHE A 26 4.886 -15.608 -4.021 1.00 23.47 C ATOM 79 CG PHE A 26 4.064 -14.556 -3.325 1.00 21.92 C ATOM 80 CD1 PHE A 26 2.680 -14.623 -3.323 1.00 22.79 C ATOM 81 CD2 PHE A 26 4.680 -13.505 -2.664 1.00 23.12 C ATOM 82 CE1 PHE A 26 1.927 -13.662 -2.680 1.00 25.76 C ATOM 83 CE2 PHE A 26 3.930 -12.539 -2.019 1.00 24.88 C ATOM 84 CZ PHE A 26 2.553 -12.619 -2.026 1.00 26.66 C ATOM 0 H PHE A 26 4.837 -13.354 -6.116 1.00 22.47 H new ATOM 0 HA PHE A 26 5.922 -16.001 -5.855 1.00 21.66 H new ATOM 0 HB2 PHE A 26 4.387 -16.571 -3.915 1.00 23.47 H new ATOM 0 HB3 PHE A 26 5.849 -15.691 -3.518 1.00 23.47 H new ATOM 0 HD1 PHE A 26 2.185 -15.437 -3.831 1.00 22.79 H new ATOM 0 HD2 PHE A 26 5.758 -13.440 -2.653 1.00 23.12 H new ATOM 0 HE1 PHE A 26 0.849 -13.725 -2.688 1.00 25.76 H new ATOM 0 HE2 PHE A 26 4.422 -11.723 -1.510 1.00 24.88 H new ATOM 0 HZ PHE A 26 1.965 -11.867 -1.521 1.00 26.66 H new ATOM 94 N ARG A 27 3.502 -16.888 -6.416 1.00 22.71 N ATOM 95 CA ARG A 27 2.312 -17.279 -7.155 1.00 22.16 C ATOM 96 C ARG A 27 1.095 -17.255 -6.245 1.00 22.93 C ATOM 97 O ARG A 27 1.069 -17.929 -5.213 1.00 23.03 O ATOM 98 CB ARG A 27 2.493 -18.672 -7.761 1.00 25.12 C ATOM 99 CG ARG A 27 3.647 -18.753 -8.744 1.00 24.95 C ATOM 100 CD ARG A 27 4.040 -20.190 -9.031 1.00 29.77 C ATOM 101 NE ARG A 27 5.486 -20.334 -9.178 1.00 40.26 N ATOM 102 CZ ARG A 27 6.166 -21.422 -8.830 1.00 43.84 C ATOM 103 NH1 ARG A 27 5.529 -22.489 -8.369 1.00 42.26 N ATOM 104 NH2 ARG A 27 7.486 -21.453 -8.959 1.00 53.40 N ATOM 0 H ARG A 27 4.017 -17.665 -6.001 1.00 22.71 H new ATOM 0 HA ARG A 27 2.157 -16.566 -7.965 1.00 22.16 H new ATOM 0 HB2 ARG A 27 2.657 -19.391 -6.959 1.00 25.12 H new ATOM 0 HB3 ARG A 27 1.572 -18.963 -8.267 1.00 25.12 H new ATOM 0 HG2 ARG A 27 3.367 -18.259 -9.675 1.00 24.95 H new ATOM 0 HG3 ARG A 27 4.505 -18.214 -8.343 1.00 24.95 H new ATOM 0 HD2 ARG A 27 3.690 -20.832 -8.222 1.00 29.77 H new ATOM 0 HD3 ARG A 27 3.546 -20.528 -9.942 1.00 29.77 H new ATOM 0 HE ARG A 27 6.007 -19.551 -9.572 1.00 40.26 H new ATOM 0 HH11 ARG A 27 4.513 -22.478 -8.280 1.00 42.26 H new ATOM 0 HH12 ARG A 27 6.055 -23.322 -8.103 1.00 42.26 H new ATOM 0 HH21 ARG A 27 7.982 -20.641 -9.326 1.00 53.40 H new ATOM 0 HH22 ARG A 27 8.005 -22.289 -8.691 1.00 53.40 H new ATOM 118 N ALA A 28 0.099 -16.472 -6.625 1.00 21.69 N ATOM 119 CA ALA A 28 -1.122 -16.358 -5.850 1.00 21.30 C ATOM 120 C ALA A 28 -2.247 -15.804 -6.708 1.00 21.54 C ATOM 121 O ALA A 28 -2.015 -14.997 -7.613 1.00 22.17 O ATOM 122 CB ALA A 28 -0.901 -15.471 -4.633 1.00 23.20 C ATOM 0 H ALA A 28 0.114 -15.903 -7.471 1.00 21.69 H new ATOM 0 HA ALA A 28 -1.404 -17.353 -5.507 1.00 21.30 H new ATOM 0 HB1 ALA A 28 -1.828 -15.397 -4.064 1.00 23.20 H new ATOM 0 HB2 ALA A 28 -0.122 -15.903 -4.004 1.00 23.20 H new ATOM 0 HB3 ALA A 28 -0.595 -14.477 -4.958 1.00 23.20 H new ATOM 128 N GLY A 29 -3.459 -16.250 -6.431 1.00 21.31 N ATOM 129 CA GLY A 29 -4.604 -15.784 -7.174 1.00 23.36 C ATOM 130 C GLY A 29 -5.308 -14.659 -6.450 1.00 24.59 C ATOM 131 O GLY A 29 -5.230 -14.564 -5.225 1.00 24.46 O ATOM 0 H GLY A 29 -3.670 -16.930 -5.701 1.00 21.31 H new ATOM 0 HA2 GLY A 29 -4.286 -15.443 -8.159 1.00 23.36 H new ATOM 0 HA3 GLY A 29 -5.299 -16.609 -7.331 1.00 23.36 H new ATOM 135 N LYS A 30 -5.988 -13.804 -7.197 1.00 23.00 N ATOM 136 CA LYS A 30 -6.701 -12.683 -6.603 1.00 21.15 C ATOM 137 C LYS A 30 -8.191 -12.990 -6.507 1.00 23.64 C ATOM 138 O LYS A 30 -8.633 -14.087 -6.845 1.00 24.84 O ATOM 139 CB LYS A 30 -6.481 -11.410 -7.428 1.00 23.49 C ATOM 140 CG LYS A 30 -7.103 -11.462 -8.814 1.00 27.46 C ATOM 141 CD LYS A 30 -7.112 -10.091 -9.471 1.00 31.74 C ATOM 142 CE LYS A 30 -7.799 -10.126 -10.826 1.00 38.65 C ATOM 143 NZ LYS A 30 -7.754 -8.803 -11.504 1.00 36.43 N ATOM 0 H LYS A 30 -6.062 -13.864 -8.213 1.00 23.00 H new ATOM 0 HA LYS A 30 -6.310 -12.522 -5.598 1.00 21.15 H new ATOM 0 HB2 LYS A 30 -6.896 -10.560 -6.885 1.00 23.49 H new ATOM 0 HB3 LYS A 30 -5.410 -11.233 -7.527 1.00 23.49 H new ATOM 0 HG2 LYS A 30 -6.547 -12.162 -9.438 1.00 27.46 H new ATOM 0 HG3 LYS A 30 -8.123 -11.839 -8.743 1.00 27.46 H new ATOM 0 HD2 LYS A 30 -7.622 -9.379 -8.822 1.00 31.74 H new ATOM 0 HD3 LYS A 30 -6.088 -9.737 -9.590 1.00 31.74 H new ATOM 0 HE2 LYS A 30 -7.319 -10.874 -11.457 1.00 38.65 H new ATOM 0 HE3 LYS A 30 -8.837 -10.434 -10.699 1.00 38.65 H new ATOM 0 HZ1 LYS A 30 -8.639 -8.288 -11.320 1.00 36.43 H new ATOM 0 HZ2 LYS A 30 -6.951 -8.253 -11.138 1.00 36.43 H new ATOM 0 HZ3 LYS A 30 -7.641 -8.942 -12.528 1.00 36.43 H new ATOM 157 N MET A 31 -8.955 -12.029 -6.021 1.00 25.36 N ATOM 158 CA MET A 31 -10.396 -12.173 -5.898 1.00 27.00 C ATOM 159 C MET A 31 -11.053 -10.875 -6.344 1.00 27.82 C ATOM 160 O MET A 31 -10.409 -9.827 -6.343 1.00 32.62 O ATOM 161 CB MET A 31 -10.796 -12.506 -4.454 1.00 24.59 C ATOM 162 CG MET A 31 -10.028 -13.677 -3.854 1.00 24.61 C ATOM 163 SD MET A 31 -10.925 -14.498 -2.520 1.00 26.00 S ATOM 164 CE MET A 31 -9.669 -15.623 -1.915 1.00 24.15 C ATOM 0 H MET A 31 -8.597 -11.129 -5.701 1.00 25.36 H new ATOM 0 HA MET A 31 -10.731 -12.996 -6.529 1.00 27.00 H new ATOM 0 HB2 MET A 31 -10.639 -11.625 -3.832 1.00 24.59 H new ATOM 0 HB3 MET A 31 -11.862 -12.731 -4.426 1.00 24.59 H new ATOM 0 HG2 MET A 31 -9.810 -14.402 -4.638 1.00 24.61 H new ATOM 0 HG3 MET A 31 -9.070 -13.320 -3.475 1.00 24.61 H new ATOM 0 HE1 MET A 31 -10.053 -16.166 -1.052 1.00 24.15 H new ATOM 0 HE2 MET A 31 -9.405 -16.330 -2.701 1.00 24.15 H new ATOM 0 HE3 MET A 31 -8.784 -15.058 -1.624 1.00 24.15 H new ATOM 174 N SER A 32 -12.310 -10.941 -6.742 1.00 25.88 N ATOM 175 CA SER A 32 -13.024 -9.756 -7.188 1.00 31.55 C ATOM 176 C SER A 32 -14.407 -9.689 -6.548 1.00 35.12 C ATOM 177 O SER A 32 -14.990 -10.719 -6.200 1.00 33.62 O ATOM 178 CB SER A 32 -13.133 -9.755 -8.719 1.00 37.48 C ATOM 179 OG SER A 32 -11.850 -9.867 -9.317 1.00 45.53 O ATOM 0 H SER A 32 -12.858 -11.801 -6.766 1.00 25.88 H new ATOM 0 HA SER A 32 -12.466 -8.873 -6.877 1.00 31.55 H new ATOM 0 HB2 SER A 32 -13.764 -10.583 -9.043 1.00 37.48 H new ATOM 0 HB3 SER A 32 -13.616 -8.837 -9.053 1.00 37.48 H new ATOM 0 HG SER A 32 -11.943 -9.866 -10.293 1.00 45.53 H new ATOM 185 N LEU A 33 -14.919 -8.479 -6.379 1.00 42.07 N ATOM 186 CA LEU A 33 -16.228 -8.279 -5.776 1.00 44.29 C ATOM 187 C LEU A 33 -17.319 -8.300 -6.835 1.00 50.09 C ATOM 188 O LEU A 33 -17.700 -7.255 -7.363 1.00 52.46 O ATOM 189 CB LEU A 33 -16.274 -6.950 -5.019 1.00 46.72 C ATOM 190 CG LEU A 33 -15.498 -6.916 -3.702 1.00 51.34 C ATOM 191 CD1 LEU A 33 -15.372 -5.484 -3.209 1.00 57.04 C ATOM 192 CD2 LEU A 33 -16.183 -7.780 -2.653 1.00 54.38 C ATOM 0 H LEU A 33 -14.446 -7.618 -6.652 1.00 42.07 H new ATOM 0 HA LEU A 33 -16.401 -9.095 -5.075 1.00 44.29 H new ATOM 0 HB2 LEU A 33 -15.885 -6.167 -5.670 1.00 46.72 H new ATOM 0 HB3 LEU A 33 -17.316 -6.705 -4.813 1.00 46.72 H new ATOM 0 HG LEU A 33 -14.500 -7.318 -3.876 1.00 51.34 H new ATOM 0 HD11 LEU A 33 -14.818 -5.470 -2.270 1.00 57.04 H new ATOM 0 HD12 LEU A 33 -14.842 -4.889 -3.952 1.00 57.04 H new ATOM 0 HD13 LEU A 33 -16.366 -5.065 -3.050 1.00 57.04 H new ATOM 0 HD21 LEU A 33 -15.615 -7.742 -1.723 1.00 54.38 H new ATOM 0 HD22 LEU A 33 -17.192 -7.407 -2.477 1.00 54.38 H new ATOM 0 HD23 LEU A 33 -16.233 -8.810 -3.006 1.00 54.38 H new ATOM 204 N LYS A 34 -17.806 -9.489 -7.150 1.00 52.69 N ATOM 205 CA LYS A 34 -18.861 -9.638 -8.137 1.00 53.15 C ATOM 206 C LYS A 34 -20.179 -9.160 -7.540 1.00 56.50 C ATOM 207 O LYS A 34 -20.885 -9.915 -6.868 1.00 56.84 O ATOM 208 CB LYS A 34 -18.971 -11.095 -8.587 1.00 2.00 C ATOM 209 CG LYS A 34 -19.747 -11.279 -9.882 1.00 2.00 C ATOM 210 CD LYS A 34 -19.996 -12.748 -10.182 1.00 2.00 C ATOM 211 CE LYS A 34 -21.066 -13.330 -9.274 1.00 2.00 C ATOM 212 NZ LYS A 34 -21.320 -14.766 -9.557 1.00 2.00 N ATOM 0 H LYS A 34 -17.487 -10.365 -6.736 1.00 52.69 H new ATOM 0 HA LYS A 34 -18.624 -9.033 -9.012 1.00 53.15 H new ATOM 0 HB2 LYS A 34 -17.968 -11.503 -8.714 1.00 2.00 H new ATOM 0 HB3 LYS A 34 -19.454 -11.674 -7.799 1.00 2.00 H new ATOM 0 HG2 LYS A 34 -20.700 -10.755 -9.813 1.00 2.00 H new ATOM 0 HG3 LYS A 34 -19.194 -10.828 -10.706 1.00 2.00 H new ATOM 0 HD2 LYS A 34 -20.300 -12.861 -11.223 1.00 2.00 H new ATOM 0 HD3 LYS A 34 -19.069 -13.308 -10.058 1.00 2.00 H new ATOM 0 HE2 LYS A 34 -20.760 -13.215 -8.234 1.00 2.00 H new ATOM 0 HE3 LYS A 34 -21.991 -12.767 -9.398 1.00 2.00 H new ATOM 0 HZ1 LYS A 34 -22.057 -15.121 -8.915 1.00 2.00 H new ATOM 0 HZ2 LYS A 34 -21.637 -14.875 -10.541 1.00 2.00 H new ATOM 0 HZ3 LYS A 34 -20.444 -15.308 -9.413 1.00 2.00 H new ATOM 226 N GLY A 35 -20.483 -7.888 -7.758 1.00 57.85 N ATOM 227 CA GLY A 35 -21.695 -7.309 -7.222 1.00 55.33 C ATOM 228 C GLY A 35 -21.550 -7.007 -5.748 1.00 54.05 C ATOM 229 O GLY A 35 -21.411 -5.851 -5.346 1.00 55.43 O ATOM 0 H GLY A 35 -19.907 -7.244 -8.300 1.00 57.85 H new ATOM 0 HA2 GLY A 35 -21.933 -6.393 -7.762 1.00 55.33 H new ATOM 0 HA3 GLY A 35 -22.528 -7.995 -7.375 1.00 55.33 H new ATOM 233 N THR A 36 -21.561 -8.055 -4.943 1.00 51.72 N ATOM 234 CA THR A 36 -21.418 -7.926 -3.507 1.00 51.05 C ATOM 235 C THR A 36 -20.843 -9.213 -2.913 1.00 46.50 C ATOM 236 O THR A 36 -20.675 -9.333 -1.698 1.00 45.65 O ATOM 237 CB THR A 36 -22.774 -7.590 -2.840 1.00 51.58 C ATOM 238 OG1 THR A 36 -22.574 -7.203 -1.471 1.00 60.43 O ATOM 239 CG2 THR A 36 -23.733 -8.773 -2.908 1.00 49.93 C ATOM 0 H THR A 36 -21.669 -9.016 -5.267 1.00 51.72 H new ATOM 0 HA THR A 36 -20.729 -7.105 -3.309 1.00 51.05 H new ATOM 0 HB THR A 36 -23.217 -6.759 -3.388 1.00 51.58 H new ATOM 0 HG1 THR A 36 -21.789 -7.666 -1.111 1.00 60.43 H new ATOM 0 HG21 THR A 36 -24.676 -8.505 -2.431 1.00 49.93 H new ATOM 0 HG22 THR A 36 -23.915 -9.034 -3.950 1.00 49.93 H new ATOM 0 HG23 THR A 36 -23.295 -9.627 -2.391 1.00 49.93 H new ATOM 247 N THR A 37 -20.524 -10.166 -3.779 1.00 41.86 N ATOM 248 CA THR A 37 -19.981 -11.438 -3.338 1.00 36.46 C ATOM 249 C THR A 37 -18.525 -11.593 -3.769 1.00 36.55 C ATOM 250 O THR A 37 -18.193 -11.433 -4.947 1.00 36.77 O ATOM 251 CB THR A 37 -20.805 -12.606 -3.907 1.00 40.82 C ATOM 252 OG1 THR A 37 -22.126 -12.151 -4.246 1.00 46.77 O ATOM 253 CG2 THR A 37 -20.893 -13.745 -2.902 1.00 40.62 C ATOM 0 H THR A 37 -20.633 -10.080 -4.789 1.00 41.86 H new ATOM 0 HA THR A 37 -20.031 -11.456 -2.249 1.00 36.46 H new ATOM 0 HB THR A 37 -20.307 -12.975 -4.804 1.00 40.82 H new ATOM 0 HG1 THR A 37 -22.646 -12.898 -4.609 1.00 46.77 H new ATOM 0 HG21 THR A 37 -21.480 -14.560 -3.326 1.00 40.62 H new ATOM 0 HG22 THR A 37 -19.890 -14.103 -2.669 1.00 40.62 H new ATOM 0 HG23 THR A 37 -21.372 -13.389 -1.990 1.00 40.62 H new ATOM 261 N VAL A 38 -17.658 -11.887 -2.808 1.00 33.78 N ATOM 262 CA VAL A 38 -16.244 -12.072 -3.093 1.00 28.48 C ATOM 263 C VAL A 38 -16.046 -13.337 -3.916 1.00 29.22 C ATOM 264 O VAL A 38 -16.345 -14.439 -3.460 1.00 31.27 O ATOM 265 CB VAL A 38 -15.406 -12.167 -1.801 1.00 29.43 C ATOM 266 CG1 VAL A 38 -13.920 -12.199 -2.126 1.00 28.05 C ATOM 267 CG2 VAL A 38 -15.722 -11.013 -0.864 1.00 31.46 C ATOM 0 H VAL A 38 -17.910 -12.002 -1.826 1.00 33.78 H new ATOM 0 HA VAL A 38 -15.904 -11.201 -3.653 1.00 28.48 H new ATOM 0 HB VAL A 38 -15.668 -13.097 -1.296 1.00 29.43 H new ATOM 0 HG11 VAL A 38 -13.347 -12.266 -1.201 1.00 28.05 H new ATOM 0 HG12 VAL A 38 -13.703 -13.065 -2.751 1.00 28.05 H new ATOM 0 HG13 VAL A 38 -13.644 -11.289 -2.659 1.00 28.05 H new ATOM 0 HG21 VAL A 38 -15.119 -11.102 0.039 1.00 31.46 H new ATOM 0 HG22 VAL A 38 -15.495 -10.069 -1.360 1.00 31.46 H new ATOM 0 HG23 VAL A 38 -16.779 -11.039 -0.599 1.00 31.46 H new ATOM 277 N THR A 39 -15.569 -13.170 -5.133 1.00 27.35 N ATOM 278 CA THR A 39 -15.351 -14.293 -6.020 1.00 27.23 C ATOM 279 C THR A 39 -13.866 -14.482 -6.313 1.00 28.27 C ATOM 280 O THR A 39 -13.223 -13.597 -6.887 1.00 28.17 O ATOM 281 CB THR A 39 -16.119 -14.089 -7.337 1.00 32.67 C ATOM 282 OG1 THR A 39 -17.440 -13.611 -7.049 1.00 34.63 O ATOM 283 CG2 THR A 39 -16.201 -15.389 -8.122 1.00 37.07 C ATOM 0 H THR A 39 -15.324 -12.263 -5.531 1.00 27.35 H new ATOM 0 HA THR A 39 -15.721 -15.189 -5.522 1.00 27.23 H new ATOM 0 HB THR A 39 -15.586 -13.356 -7.943 1.00 32.67 H new ATOM 0 HG1 THR A 39 -17.980 -13.630 -7.866 1.00 34.63 H new ATOM 0 HG21 THR A 39 -16.748 -15.220 -9.049 1.00 37.07 H new ATOM 0 HG22 THR A 39 -15.195 -15.739 -8.353 1.00 37.07 H new ATOM 0 HG23 THR A 39 -16.719 -16.141 -7.527 1.00 37.07 H new ATOM 291 N PRO A 40 -13.292 -15.620 -5.887 1.00 26.41 N ATOM 292 CA PRO A 40 -11.882 -15.925 -6.118 1.00 25.74 C ATOM 293 C PRO A 40 -11.592 -16.182 -7.590 1.00 27.33 C ATOM 294 O PRO A 40 -12.328 -16.920 -8.256 1.00 29.54 O ATOM 295 CB PRO A 40 -11.627 -17.199 -5.298 1.00 27.62 C ATOM 296 CG PRO A 40 -12.827 -17.371 -4.428 1.00 30.25 C ATOM 297 CD PRO A 40 -13.965 -16.687 -5.131 1.00 27.97 C ATOM 0 HA PRO A 40 -11.240 -15.093 -5.828 1.00 25.74 H new ATOM 0 HB2 PRO A 40 -11.490 -18.062 -5.949 1.00 27.62 H new ATOM 0 HB3 PRO A 40 -10.721 -17.104 -4.700 1.00 27.62 H new ATOM 0 HG2 PRO A 40 -13.046 -18.428 -4.273 1.00 30.25 H new ATOM 0 HG3 PRO A 40 -12.659 -16.933 -3.444 1.00 30.25 H new ATOM 0 HD2 PRO A 40 -14.503 -17.370 -5.788 1.00 27.97 H new ATOM 0 HD3 PRO A 40 -14.692 -16.285 -4.426 1.00 27.97 H new ATOM 305 N ASP A 41 -10.530 -15.568 -8.096 1.00 27.01 N ATOM 306 CA ASP A 41 -10.135 -15.733 -9.489 1.00 28.40 C ATOM 307 C ASP A 41 -9.643 -17.155 -9.708 1.00 29.86 C ATOM 308 O ASP A 41 -9.126 -17.787 -8.782 1.00 28.83 O ATOM 309 CB ASP A 41 -9.036 -14.731 -9.862 1.00 28.84 C ATOM 310 CG ASP A 41 -9.095 -14.312 -11.316 1.00 32.16 C ATOM 311 OD1 ASP A 41 -8.961 -15.186 -12.200 1.00 34.80 O ATOM 312 OD2 ASP A 41 -9.275 -13.104 -11.583 1.00 35.13 O ATOM 0 H ASP A 41 -9.924 -14.948 -7.559 1.00 27.01 H new ATOM 0 HA ASP A 41 -10.998 -15.544 -10.127 1.00 28.40 H new ATOM 0 HB2 ASP A 41 -9.126 -13.848 -9.230 1.00 28.84 H new ATOM 0 HB3 ASP A 41 -8.062 -15.173 -9.655 1.00 28.84 H new ATOM 317 N LYS A 42 -9.808 -17.663 -10.916 1.00 30.36 N ATOM 318 CA LYS A 42 -9.386 -19.017 -11.230 1.00 30.52 C ATOM 319 C LYS A 42 -8.165 -19.012 -12.142 1.00 29.13 C ATOM 320 O LYS A 42 -7.722 -20.061 -12.610 1.00 33.35 O ATOM 321 CB LYS A 42 -10.538 -19.795 -11.870 1.00 34.43 C ATOM 322 CG LYS A 42 -11.715 -20.004 -10.927 1.00 40.16 C ATOM 323 CD LYS A 42 -12.846 -20.775 -11.585 1.00 53.68 C ATOM 324 CE LYS A 42 -13.982 -21.027 -10.605 1.00 57.99 C ATOM 325 NZ LYS A 42 -15.100 -21.786 -11.221 1.00 50.24 N ATOM 0 H LYS A 42 -10.231 -17.159 -11.696 1.00 30.36 H new ATOM 0 HA LYS A 42 -9.105 -19.513 -10.301 1.00 30.52 H new ATOM 0 HB2 LYS A 42 -10.881 -19.261 -12.756 1.00 34.43 H new ATOM 0 HB3 LYS A 42 -10.171 -20.766 -12.204 1.00 34.43 H new ATOM 0 HG2 LYS A 42 -11.378 -20.542 -10.041 1.00 40.16 H new ATOM 0 HG3 LYS A 42 -12.085 -19.036 -10.590 1.00 40.16 H new ATOM 0 HD2 LYS A 42 -13.220 -20.216 -12.443 1.00 53.68 H new ATOM 0 HD3 LYS A 42 -12.470 -21.726 -11.963 1.00 53.68 H new ATOM 0 HE2 LYS A 42 -13.602 -21.579 -9.745 1.00 57.99 H new ATOM 0 HE3 LYS A 42 -14.355 -20.073 -10.232 1.00 57.99 H new ATOM 0 HZ1 LYS A 42 -15.850 -21.933 -10.516 1.00 50.24 H new ATOM 0 HZ2 LYS A 42 -15.482 -21.249 -12.026 1.00 50.24 H new ATOM 0 HZ3 LYS A 42 -14.752 -22.708 -11.554 1.00 50.24 H new ATOM 339 N ARG A 43 -7.619 -17.830 -12.390 1.00 27.87 N ATOM 340 CA ARG A 43 -6.445 -17.705 -13.240 1.00 26.95 C ATOM 341 C ARG A 43 -5.171 -17.727 -12.403 1.00 27.24 C ATOM 342 O ARG A 43 -5.177 -17.342 -11.232 1.00 26.67 O ATOM 343 CB ARG A 43 -6.502 -16.414 -14.053 1.00 29.39 C ATOM 344 CG ARG A 43 -7.578 -16.417 -15.126 1.00 31.56 C ATOM 345 CD ARG A 43 -7.791 -15.027 -15.697 1.00 30.38 C ATOM 346 NE ARG A 43 -8.092 -14.053 -14.649 1.00 29.25 N ATOM 347 CZ ARG A 43 -7.824 -12.753 -14.740 1.00 29.05 C ATOM 348 NH1 ARG A 43 -7.248 -12.262 -15.833 1.00 37.71 N ATOM 349 NH2 ARG A 43 -8.129 -11.943 -13.735 1.00 30.67 N ATOM 0 H ARG A 43 -7.969 -16.948 -12.016 1.00 27.87 H new ATOM 0 HA ARG A 43 -6.435 -18.554 -13.924 1.00 26.95 H new ATOM 0 HB2 ARG A 43 -6.677 -15.577 -13.377 1.00 29.39 H new ATOM 0 HB3 ARG A 43 -5.533 -16.247 -14.523 1.00 29.39 H new ATOM 0 HG2 ARG A 43 -7.295 -17.102 -15.926 1.00 31.56 H new ATOM 0 HG3 ARG A 43 -8.513 -16.787 -14.705 1.00 31.56 H new ATOM 0 HD2 ARG A 43 -6.898 -14.715 -16.238 1.00 30.38 H new ATOM 0 HD3 ARG A 43 -8.608 -15.051 -16.418 1.00 30.38 H new ATOM 0 HE ARG A 43 -8.535 -14.391 -13.795 1.00 29.25 H new ATOM 0 HH11 ARG A 43 -7.010 -12.883 -16.607 1.00 37.71 H new ATOM 0 HH12 ARG A 43 -7.045 -11.265 -15.898 1.00 37.71 H new ATOM 0 HH21 ARG A 43 -8.568 -12.317 -12.894 1.00 30.67 H new ATOM 0 HH22 ARG A 43 -7.924 -10.946 -13.803 1.00 30.67 H new ATOM 363 N LYS A 44 -4.086 -18.180 -13.011 1.00 27.38 N ATOM 364 CA LYS A 44 -2.800 -18.248 -12.339 1.00 24.82 C ATOM 365 C LYS A 44 -2.060 -16.929 -12.505 1.00 25.07 C ATOM 366 O LYS A 44 -1.511 -16.641 -13.572 1.00 25.72 O ATOM 367 CB LYS A 44 -1.962 -19.393 -12.907 1.00 31.68 C ATOM 368 CG LYS A 44 -2.610 -20.758 -12.757 1.00 36.95 C ATOM 369 CD LYS A 44 -1.927 -21.788 -13.637 1.00 40.69 C ATOM 370 CE LYS A 44 -2.578 -23.153 -13.514 1.00 45.64 C ATOM 371 NZ LYS A 44 -2.025 -24.117 -14.499 1.00 49.09 N ATOM 0 H LYS A 44 -4.072 -18.508 -13.977 1.00 27.38 H new ATOM 0 HA LYS A 44 -2.968 -18.433 -11.278 1.00 24.82 H new ATOM 0 HB2 LYS A 44 -1.774 -19.204 -13.964 1.00 31.68 H new ATOM 0 HB3 LYS A 44 -0.993 -19.404 -12.408 1.00 31.68 H new ATOM 0 HG2 LYS A 44 -2.560 -21.075 -11.715 1.00 36.95 H new ATOM 0 HG3 LYS A 44 -3.666 -20.693 -13.020 1.00 36.95 H new ATOM 0 HD2 LYS A 44 -1.963 -21.460 -14.676 1.00 40.69 H new ATOM 0 HD3 LYS A 44 -0.875 -21.861 -13.362 1.00 40.69 H new ATOM 0 HE2 LYS A 44 -2.428 -23.538 -12.505 1.00 45.64 H new ATOM 0 HE3 LYS A 44 -3.654 -23.058 -13.663 1.00 45.64 H new ATOM 0 HZ1 LYS A 44 -2.494 -25.038 -14.384 1.00 49.09 H new ATOM 0 HZ2 LYS A 44 -2.190 -23.762 -15.462 1.00 49.09 H new ATOM 0 HZ3 LYS A 44 -1.003 -24.227 -14.341 1.00 49.09 H new ATOM 385 N GLY A 45 -2.061 -16.126 -11.454 1.00 25.23 N ATOM 386 CA GLY A 45 -1.395 -14.845 -11.507 1.00 22.86 C ATOM 387 C GLY A 45 -0.117 -14.819 -10.697 1.00 20.43 C ATOM 388 O GLY A 45 0.279 -15.830 -10.110 1.00 22.06 O ATOM 0 H GLY A 45 -2.512 -16.339 -10.564 1.00 25.23 H new ATOM 0 HA2 GLY A 45 -1.168 -14.600 -12.545 1.00 22.86 H new ATOM 0 HA3 GLY A 45 -2.070 -14.073 -11.138 1.00 22.86 H new ATOM 392 N LEU A 46 0.535 -13.670 -10.687 1.00 20.38 N ATOM 393 CA LEU A 46 1.777 -13.484 -9.959 1.00 20.77 C ATOM 394 C LEU A 46 1.719 -12.207 -9.129 1.00 23.10 C ATOM 395 O LEU A 46 1.504 -11.115 -9.664 1.00 23.65 O ATOM 396 CB LEU A 46 2.949 -13.408 -10.941 1.00 23.04 C ATOM 397 CG LEU A 46 4.332 -13.278 -10.303 1.00 26.36 C ATOM 398 CD1 LEU A 46 4.787 -14.612 -9.741 1.00 27.21 C ATOM 399 CD2 LEU A 46 5.340 -12.760 -11.315 1.00 26.03 C ATOM 0 H LEU A 46 0.217 -12.838 -11.185 1.00 20.38 H new ATOM 0 HA LEU A 46 1.920 -14.333 -9.290 1.00 20.77 H new ATOM 0 HB2 LEU A 46 2.938 -14.302 -11.564 1.00 23.04 H new ATOM 0 HB3 LEU A 46 2.792 -12.557 -11.603 1.00 23.04 H new ATOM 0 HG LEU A 46 4.265 -12.562 -9.484 1.00 26.36 H new ATOM 0 HD11 LEU A 46 5.773 -14.500 -9.291 1.00 27.21 H new ATOM 0 HD12 LEU A 46 4.079 -14.948 -8.984 1.00 27.21 H new ATOM 0 HD13 LEU A 46 4.836 -15.347 -10.544 1.00 27.21 H new ATOM 0 HD21 LEU A 46 6.319 -12.674 -10.843 1.00 26.03 H new ATOM 0 HD22 LEU A 46 5.402 -13.453 -12.154 1.00 26.03 H new ATOM 0 HD23 LEU A 46 5.024 -11.781 -11.675 1.00 26.03 H new ATOM 411 N VAL A 47 1.899 -12.350 -7.826 1.00 21.70 N ATOM 412 CA VAL A 47 1.884 -11.210 -6.926 1.00 22.89 C ATOM 413 C VAL A 47 3.309 -10.736 -6.698 1.00 23.42 C ATOM 414 O VAL A 47 4.142 -11.492 -6.195 1.00 22.22 O ATOM 415 CB VAL A 47 1.237 -11.561 -5.568 1.00 20.99 C ATOM 416 CG1 VAL A 47 1.217 -10.349 -4.650 1.00 24.03 C ATOM 417 CG2 VAL A 47 -0.171 -12.099 -5.767 1.00 19.99 C ATOM 0 H VAL A 47 2.058 -13.247 -7.368 1.00 21.70 H new ATOM 0 HA VAL A 47 1.288 -10.422 -7.387 1.00 22.89 H new ATOM 0 HB VAL A 47 1.840 -12.338 -5.097 1.00 20.99 H new ATOM 0 HG11 VAL A 47 0.757 -10.620 -3.700 1.00 24.03 H new ATOM 0 HG12 VAL A 47 2.237 -10.008 -4.475 1.00 24.03 H new ATOM 0 HG13 VAL A 47 0.642 -9.549 -5.116 1.00 24.03 H new ATOM 0 HG21 VAL A 47 -0.609 -12.340 -4.798 1.00 19.99 H new ATOM 0 HG22 VAL A 47 -0.782 -11.345 -6.264 1.00 19.99 H new ATOM 0 HG23 VAL A 47 -0.133 -12.998 -6.382 1.00 19.99 H new ATOM 427 N TYR A 48 3.594 -9.503 -7.083 1.00 22.85 N ATOM 428 CA TYR A 48 4.928 -8.957 -6.921 1.00 23.49 C ATOM 429 C TYR A 48 4.876 -7.506 -6.470 1.00 21.86 C ATOM 430 O TYR A 48 3.897 -6.797 -6.717 1.00 23.94 O ATOM 431 CB TYR A 48 5.722 -9.074 -8.228 1.00 25.01 C ATOM 432 CG TYR A 48 5.245 -8.147 -9.324 1.00 28.77 C ATOM 433 CD1 TYR A 48 4.097 -8.428 -10.052 1.00 30.08 C ATOM 434 CD2 TYR A 48 5.947 -6.987 -9.630 1.00 31.32 C ATOM 435 CE1 TYR A 48 3.662 -7.581 -11.050 1.00 31.24 C ATOM 436 CE2 TYR A 48 5.517 -6.137 -10.628 1.00 31.62 C ATOM 437 CZ TYR A 48 4.376 -6.438 -11.334 1.00 33.90 C ATOM 438 OH TYR A 48 3.947 -5.595 -12.330 1.00 40.45 O ATOM 0 H TYR A 48 2.921 -8.865 -7.508 1.00 22.85 H new ATOM 0 HA TYR A 48 5.433 -9.538 -6.149 1.00 23.49 H new ATOM 0 HB2 TYR A 48 6.772 -8.867 -8.023 1.00 25.01 H new ATOM 0 HB3 TYR A 48 5.664 -10.102 -8.585 1.00 25.01 H new ATOM 0 HD1 TYR A 48 3.535 -9.324 -9.833 1.00 30.08 H new ATOM 0 HD2 TYR A 48 6.844 -6.747 -9.078 1.00 31.32 H new ATOM 0 HE1 TYR A 48 2.766 -7.813 -11.606 1.00 31.24 H new ATOM 0 HE2 TYR A 48 6.074 -5.240 -10.854 1.00 31.62 H new ATOM 0 HH TYR A 48 4.561 -4.835 -12.402 1.00 40.45 H new ATOM 448 N ILE A 49 5.935 -7.080 -5.803 1.00 22.39 N ATOM 449 CA ILE A 49 6.039 -5.716 -5.315 1.00 23.58 C ATOM 450 C ILE A 49 7.201 -4.998 -5.991 1.00 27.61 C ATOM 451 O ILE A 49 8.358 -5.410 -5.865 1.00 27.30 O ATOM 452 CB ILE A 49 6.241 -5.675 -3.786 1.00 25.90 C ATOM 453 CG1 ILE A 49 5.239 -6.601 -3.090 1.00 27.10 C ATOM 454 CG2 ILE A 49 6.095 -4.251 -3.271 1.00 27.09 C ATOM 455 CD1 ILE A 49 5.459 -6.723 -1.599 1.00 25.36 C ATOM 0 H ILE A 49 6.742 -7.665 -5.586 1.00 22.39 H new ATOM 0 HA ILE A 49 5.103 -5.213 -5.556 1.00 23.58 H new ATOM 0 HB ILE A 49 7.249 -6.024 -3.559 1.00 25.90 H new ATOM 0 HG12 ILE A 49 4.230 -6.231 -3.270 1.00 27.10 H new ATOM 0 HG13 ILE A 49 5.300 -7.592 -3.540 1.00 27.10 H new ATOM 0 HG21 ILE A 49 6.240 -4.238 -2.191 1.00 27.09 H new ATOM 0 HG22 ILE A 49 6.842 -3.614 -3.745 1.00 27.09 H new ATOM 0 HG23 ILE A 49 5.098 -3.879 -3.508 1.00 27.09 H new ATOM 0 HD11 ILE A 49 4.712 -7.394 -1.175 1.00 25.36 H new ATOM 0 HD12 ILE A 49 6.455 -7.122 -1.410 1.00 25.36 H new ATOM 0 HD13 ILE A 49 5.368 -5.740 -1.136 1.00 25.36 H new ATOM 467 N GLN A 50 6.888 -3.940 -6.719 1.00 27.71 N ATOM 468 CA GLN A 50 7.906 -3.167 -7.412 1.00 32.14 C ATOM 469 C GLN A 50 8.144 -1.839 -6.704 1.00 32.00 C ATOM 470 O GLN A 50 7.218 -1.048 -6.517 1.00 30.85 O ATOM 471 CB GLN A 50 7.497 -2.909 -8.863 1.00 36.37 C ATOM 472 CG GLN A 50 8.589 -2.243 -9.685 1.00 39.34 C ATOM 473 CD GLN A 50 8.126 -1.843 -11.070 1.00 45.99 C ATOM 474 OE1 GLN A 50 6.976 -1.448 -11.271 1.00 55.21 O ATOM 475 NE2 GLN A 50 9.018 -1.951 -12.038 1.00 53.40 N ATOM 0 H GLN A 50 5.936 -3.596 -6.846 1.00 27.71 H new ATOM 0 HA GLN A 50 8.829 -3.746 -7.404 1.00 32.14 H new ATOM 0 HB2 GLN A 50 7.226 -3.855 -9.331 1.00 36.37 H new ATOM 0 HB3 GLN A 50 6.607 -2.280 -8.876 1.00 36.37 H new ATOM 0 HG2 GLN A 50 8.945 -1.358 -9.157 1.00 39.34 H new ATOM 0 HG3 GLN A 50 9.436 -2.924 -9.773 1.00 39.34 H new ATOM 0 HE21 GLN A 50 9.960 -2.282 -11.829 1.00 53.40 H new ATOM 0 HE22 GLN A 50 8.765 -1.703 -12.995 1.00 53.40 H new ATOM 484 N GLN A 51 9.378 -1.602 -6.301 1.00 32.95 N ATOM 485 CA GLN A 51 9.727 -0.365 -5.630 1.00 32.74 C ATOM 486 C GLN A 51 10.371 0.592 -6.620 1.00 36.30 C ATOM 487 O GLN A 51 11.473 0.343 -7.108 1.00 38.61 O ATOM 488 CB GLN A 51 10.676 -0.638 -4.467 1.00 33.49 C ATOM 489 CG GLN A 51 10.394 0.216 -3.244 1.00 36.02 C ATOM 490 CD GLN A 51 11.342 -0.080 -2.098 1.00 40.59 C ATOM 491 OE1 GLN A 51 12.489 -0.477 -2.308 1.00 47.50 O ATOM 492 NE2 GLN A 51 10.869 0.110 -0.878 1.00 36.66 N ATOM 0 H GLN A 51 10.155 -2.250 -6.427 1.00 32.95 H new ATOM 0 HA GLN A 51 8.819 0.089 -5.233 1.00 32.74 H new ATOM 0 HB2 GLN A 51 10.606 -1.690 -4.190 1.00 33.49 H new ATOM 0 HB3 GLN A 51 11.700 -0.462 -4.795 1.00 33.49 H new ATOM 0 HG2 GLN A 51 10.473 1.269 -3.514 1.00 36.02 H new ATOM 0 HG3 GLN A 51 9.368 0.047 -2.916 1.00 36.02 H new ATOM 0 HE21 GLN A 51 9.913 0.440 -0.747 1.00 36.66 H new ATOM 0 HE22 GLN A 51 11.460 -0.073 -0.067 1.00 36.66 H new ATOM 501 N THR A 52 9.673 1.668 -6.938 1.00 32.79 N ATOM 502 CA THR A 52 10.181 2.651 -7.876 1.00 35.62 C ATOM 503 C THR A 52 11.063 3.677 -7.168 1.00 34.85 C ATOM 504 O THR A 52 11.068 3.762 -5.937 1.00 33.85 O ATOM 505 CB THR A 52 9.023 3.352 -8.605 1.00 36.57 C ATOM 506 OG1 THR A 52 7.872 3.395 -7.754 1.00 36.03 O ATOM 507 CG2 THR A 52 8.675 2.623 -9.893 1.00 36.33 C ATOM 0 H THR A 52 8.751 1.883 -6.559 1.00 32.79 H new ATOM 0 HA THR A 52 10.791 2.129 -8.614 1.00 35.62 H new ATOM 0 HB THR A 52 9.336 4.366 -8.853 1.00 36.57 H new ATOM 0 HG1 THR A 52 7.927 4.179 -7.169 1.00 36.03 H new ATOM 0 HG21 THR A 52 7.853 3.137 -10.391 1.00 36.33 H new ATOM 0 HG22 THR A 52 9.545 2.608 -10.549 1.00 36.33 H new ATOM 0 HG23 THR A 52 8.377 1.600 -9.663 1.00 36.33 H new ATOM 515 N ASP A 53 11.798 4.462 -7.945 1.00 40.95 N ATOM 516 CA ASP A 53 12.714 5.465 -7.397 1.00 43.16 C ATOM 517 C ASP A 53 11.977 6.638 -6.750 1.00 43.44 C ATOM 518 O ASP A 53 12.591 7.470 -6.079 1.00 42.75 O ATOM 519 CB ASP A 53 13.650 5.982 -8.492 1.00 50.66 C ATOM 520 CG ASP A 53 12.966 6.949 -9.438 1.00 58.97 C ATOM 521 OD1 ASP A 53 12.177 6.493 -10.291 1.00 70.66 O ATOM 522 OD2 ASP A 53 13.220 8.170 -9.336 1.00 70.60 O ATOM 0 H ASP A 53 11.780 4.426 -8.964 1.00 40.95 H new ATOM 0 HA ASP A 53 13.295 4.973 -6.617 1.00 43.16 H new ATOM 0 HB2 ASP A 53 14.505 6.476 -8.030 1.00 50.66 H new ATOM 0 HB3 ASP A 53 14.039 5.137 -9.061 1.00 50.66 H new ATOM 527 N ASP A 54 10.666 6.699 -6.939 1.00 39.48 N ATOM 528 CA ASP A 54 9.856 7.773 -6.370 1.00 39.12 C ATOM 529 C ASP A 54 9.265 7.352 -5.025 1.00 37.04 C ATOM 530 O ASP A 54 8.393 8.035 -4.473 1.00 37.46 O ATOM 531 CB ASP A 54 8.738 8.182 -7.337 1.00 40.13 C ATOM 532 CG ASP A 54 7.989 7.000 -7.922 1.00 38.54 C ATOM 533 OD1 ASP A 54 8.015 5.912 -7.314 1.00 36.07 O ATOM 534 OD2 ASP A 54 7.372 7.156 -9.001 1.00 42.19 O ATOM 0 H ASP A 54 10.138 6.017 -7.483 1.00 39.48 H new ATOM 0 HA ASP A 54 10.505 8.634 -6.208 1.00 39.12 H new ATOM 0 HB2 ASP A 54 8.033 8.827 -6.814 1.00 40.13 H new ATOM 0 HB3 ASP A 54 9.166 8.770 -8.149 1.00 40.13 H new ATOM 539 N SER A 55 9.753 6.222 -4.514 1.00 33.99 N ATOM 540 CA SER A 55 9.323 5.671 -3.227 1.00 31.71 C ATOM 541 C SER A 55 7.864 5.208 -3.251 1.00 28.99 C ATOM 542 O SER A 55 7.214 5.132 -2.209 1.00 29.99 O ATOM 543 CB SER A 55 9.538 6.693 -2.106 1.00 40.69 C ATOM 544 OG SER A 55 10.859 7.204 -2.133 1.00 39.56 O ATOM 0 H SER A 55 10.462 5.659 -4.983 1.00 33.99 H new ATOM 0 HA SER A 55 9.939 4.792 -3.034 1.00 31.71 H new ATOM 0 HB2 SER A 55 8.825 7.511 -2.213 1.00 40.69 H new ATOM 0 HB3 SER A 55 9.344 6.226 -1.141 1.00 40.69 H new ATOM 0 HG SER A 55 10.973 7.856 -1.410 1.00 39.56 H new ATOM 550 N LEU A 56 7.349 4.904 -4.434 1.00 31.45 N ATOM 551 CA LEU A 56 5.982 4.427 -4.552 1.00 28.30 C ATOM 552 C LEU A 56 5.969 2.905 -4.560 1.00 28.13 C ATOM 553 O LEU A 56 6.458 2.274 -5.501 1.00 30.03 O ATOM 554 CB LEU A 56 5.313 4.964 -5.824 1.00 29.92 C ATOM 555 CG LEU A 56 5.303 6.486 -5.981 1.00 28.23 C ATOM 556 CD1 LEU A 56 4.467 6.889 -7.185 1.00 31.16 C ATOM 557 CD2 LEU A 56 4.786 7.158 -4.722 1.00 29.13 C ATOM 0 H LEU A 56 7.853 4.979 -5.317 1.00 31.45 H new ATOM 0 HA LEU A 56 5.417 4.793 -3.695 1.00 28.30 H new ATOM 0 HB2 LEU A 56 5.819 4.532 -6.688 1.00 29.92 H new ATOM 0 HB3 LEU A 56 4.283 4.609 -5.847 1.00 29.92 H new ATOM 0 HG LEU A 56 6.328 6.819 -6.143 1.00 28.23 H new ATOM 0 HD11 LEU A 56 4.470 7.975 -7.283 1.00 31.16 H new ATOM 0 HD12 LEU A 56 4.888 6.442 -8.086 1.00 31.16 H new ATOM 0 HD13 LEU A 56 3.443 6.540 -7.051 1.00 31.16 H new ATOM 0 HD21 LEU A 56 4.789 8.239 -4.859 1.00 29.13 H new ATOM 0 HD22 LEU A 56 3.769 6.820 -4.521 1.00 29.13 H new ATOM 0 HD23 LEU A 56 5.428 6.897 -3.881 1.00 29.13 H new ATOM 569 N ILE A 57 5.432 2.315 -3.503 1.00 26.76 N ATOM 570 CA ILE A 57 5.359 0.867 -3.400 1.00 25.89 C ATOM 571 C ILE A 57 4.297 0.353 -4.360 1.00 27.00 C ATOM 572 O ILE A 57 3.103 0.543 -4.143 1.00 27.45 O ATOM 573 CB ILE A 57 5.031 0.409 -1.962 1.00 27.42 C ATOM 574 CG1 ILE A 57 5.839 1.214 -0.933 1.00 31.55 C ATOM 575 CG2 ILE A 57 5.302 -1.081 -1.809 1.00 28.59 C ATOM 576 CD1 ILE A 57 7.340 1.031 -1.043 1.00 37.28 C ATOM 0 H ILE A 57 5.041 2.817 -2.706 1.00 26.76 H new ATOM 0 HA ILE A 57 6.335 0.457 -3.660 1.00 25.89 H new ATOM 0 HB ILE A 57 3.973 0.592 -1.776 1.00 27.42 H new ATOM 0 HG12 ILE A 57 5.603 2.272 -1.049 1.00 31.55 H new ATOM 0 HG13 ILE A 57 5.521 0.925 0.069 1.00 31.55 H new ATOM 0 HG21 ILE A 57 5.067 -1.391 -0.791 1.00 28.59 H new ATOM 0 HG22 ILE A 57 4.681 -1.638 -2.511 1.00 28.59 H new ATOM 0 HG23 ILE A 57 6.353 -1.283 -2.016 1.00 28.59 H new ATOM 0 HD11 ILE A 57 7.837 1.633 -0.282 1.00 37.28 H new ATOM 0 HD12 ILE A 57 7.590 -0.020 -0.895 1.00 37.28 H new ATOM 0 HD13 ILE A 57 7.674 1.348 -2.031 1.00 37.28 H new ATOM 588 N HIS A 58 4.730 -0.282 -5.432 1.00 26.83 N ATOM 589 CA HIS A 58 3.801 -0.778 -6.430 1.00 24.25 C ATOM 590 C HIS A 58 3.449 -2.241 -6.219 1.00 29.20 C ATOM 591 O HIS A 58 4.201 -3.141 -6.598 1.00 26.43 O ATOM 592 CB HIS A 58 4.364 -0.568 -7.836 1.00 27.78 C ATOM 593 CG HIS A 58 4.228 0.840 -8.325 1.00 33.31 C ATOM 594 ND1 HIS A 58 5.216 1.792 -8.178 1.00 38.84 N ATOM 595 CD2 HIS A 58 3.205 1.461 -8.961 1.00 29.13 C ATOM 596 CE1 HIS A 58 4.810 2.930 -8.705 1.00 32.16 C ATOM 597 NE2 HIS A 58 3.594 2.756 -9.182 1.00 37.59 N ATOM 0 H HIS A 58 5.713 -0.466 -5.634 1.00 26.83 H new ATOM 0 HA HIS A 58 2.880 -0.205 -6.320 1.00 24.25 H new ATOM 0 HB2 HIS A 58 5.418 -0.847 -7.843 1.00 27.78 H new ATOM 0 HB3 HIS A 58 3.852 -1.237 -8.528 1.00 27.78 H new ATOM 0 HD1 HIS A 58 6.120 1.639 -7.731 1.00 38.84 H new ATOM 0 HD2 HIS A 58 2.261 1.018 -9.241 1.00 29.13 H new ATOM 0 HE1 HIS A 58 5.377 3.848 -8.740 1.00 32.16 H new ATOM 606 N PHE A 59 2.310 -2.463 -5.586 1.00 24.93 N ATOM 607 CA PHE A 59 1.796 -3.804 -5.358 1.00 24.00 C ATOM 608 C PHE A 59 0.874 -4.126 -6.522 1.00 24.90 C ATOM 609 O PHE A 59 -0.248 -3.618 -6.591 1.00 22.76 O ATOM 610 CB PHE A 59 1.041 -3.857 -4.022 1.00 22.07 C ATOM 611 CG PHE A 59 0.534 -5.221 -3.639 1.00 22.53 C ATOM 612 CD1 PHE A 59 1.336 -6.099 -2.929 1.00 23.94 C ATOM 613 CD2 PHE A 59 -0.752 -5.615 -3.976 1.00 23.49 C ATOM 614 CE1 PHE A 59 0.866 -7.347 -2.564 1.00 24.34 C ATOM 615 CE2 PHE A 59 -1.226 -6.862 -3.616 1.00 25.32 C ATOM 616 CZ PHE A 59 -0.417 -7.728 -2.908 1.00 23.59 C ATOM 0 H PHE A 59 1.716 -1.721 -5.216 1.00 24.93 H new ATOM 0 HA PHE A 59 2.602 -4.535 -5.301 1.00 24.00 H new ATOM 0 HB2 PHE A 59 1.700 -3.495 -3.233 1.00 22.07 H new ATOM 0 HB3 PHE A 59 0.196 -3.171 -4.071 1.00 22.07 H new ATOM 0 HD1 PHE A 59 2.339 -5.806 -2.658 1.00 23.94 H new ATOM 0 HD2 PHE A 59 -1.390 -4.940 -4.526 1.00 23.49 H new ATOM 0 HE1 PHE A 59 1.501 -8.023 -2.011 1.00 24.34 H new ATOM 0 HE2 PHE A 59 -2.228 -7.159 -3.888 1.00 25.32 H new ATOM 0 HZ PHE A 59 -0.786 -8.702 -2.623 1.00 23.59 H new ATOM 626 N CYS A 60 1.349 -4.937 -7.453 1.00 24.92 N ATOM 627 CA CYS A 60 0.564 -5.246 -8.632 1.00 24.28 C ATOM 628 C CYS A 60 0.363 -6.742 -8.829 1.00 22.52 C ATOM 629 O CYS A 60 1.178 -7.560 -8.395 1.00 22.77 O ATOM 630 CB CYS A 60 1.252 -4.655 -9.866 1.00 25.29 C ATOM 631 SG CYS A 60 2.103 -3.083 -9.565 1.00 29.25 S ATOM 0 H CYS A 60 2.263 -5.388 -7.415 1.00 24.92 H new ATOM 0 HA CYS A 60 -0.423 -4.805 -8.492 1.00 24.28 H new ATOM 0 HB2 CYS A 60 1.973 -5.378 -10.246 1.00 25.29 H new ATOM 0 HB3 CYS A 60 0.506 -4.507 -10.647 1.00 25.29 H new ATOM 0 HG CYS A 60 1.277 -2.098 -9.758 1.00 29.25 H new ATOM 637 N TRP A 61 -0.735 -7.081 -9.493 1.00 21.73 N ATOM 638 CA TRP A 61 -1.066 -8.460 -9.799 1.00 24.21 C ATOM 639 C TRP A 61 -0.927 -8.671 -11.300 1.00 23.19 C ATOM 640 O TRP A 61 -1.698 -8.120 -12.091 1.00 23.71 O ATOM 641 CB TRP A 61 -2.490 -8.791 -9.346 1.00 23.71 C ATOM 642 CG TRP A 61 -2.827 -10.249 -9.451 1.00 21.67 C ATOM 643 CD1 TRP A 61 -2.538 -11.222 -8.538 1.00 22.32 C ATOM 644 CD2 TRP A 61 -3.520 -10.899 -10.525 1.00 21.21 C ATOM 645 NE1 TRP A 61 -3.000 -12.438 -8.980 1.00 20.93 N ATOM 646 CE2 TRP A 61 -3.611 -12.266 -10.194 1.00 21.69 C ATOM 647 CE3 TRP A 61 -4.071 -10.462 -11.735 1.00 23.41 C ATOM 648 CZ2 TRP A 61 -4.229 -13.193 -11.028 1.00 24.22 C ATOM 649 CZ3 TRP A 61 -4.687 -11.385 -12.558 1.00 22.81 C ATOM 650 CH2 TRP A 61 -4.762 -12.737 -12.200 1.00 22.79 C ATOM 0 H TRP A 61 -1.419 -6.405 -9.833 1.00 21.73 H new ATOM 0 HA TRP A 61 -0.386 -9.123 -9.265 1.00 24.21 H new ATOM 0 HB2 TRP A 61 -2.618 -8.470 -8.312 1.00 23.71 H new ATOM 0 HB3 TRP A 61 -3.196 -8.219 -9.947 1.00 23.71 H new ATOM 0 HD1 TRP A 61 -2.021 -11.059 -7.604 1.00 22.32 H new ATOM 0 HE1 TRP A 61 -2.904 -13.325 -8.485 1.00 20.93 H new ATOM 0 HE3 TRP A 61 -4.016 -9.422 -12.020 1.00 23.41 H new ATOM 0 HZ2 TRP A 61 -4.285 -14.237 -10.758 1.00 24.22 H new ATOM 0 HZ3 TRP A 61 -5.118 -11.059 -13.493 1.00 22.81 H new ATOM 0 HH2 TRP A 61 -5.252 -13.434 -12.865 1.00 22.79 H new ATOM 661 N LYS A 62 0.065 -9.448 -11.688 1.00 23.00 N ATOM 662 CA LYS A 62 0.320 -9.715 -13.094 1.00 25.78 C ATOM 663 C LYS A 62 -0.193 -11.091 -13.488 1.00 27.19 C ATOM 664 O LYS A 62 0.078 -12.081 -12.811 1.00 24.10 O ATOM 665 CB LYS A 62 1.821 -9.606 -13.365 1.00 30.99 C ATOM 666 CG LYS A 62 2.241 -9.994 -14.772 1.00 37.82 C ATOM 667 CD LYS A 62 3.740 -9.828 -14.952 1.00 35.10 C ATOM 668 CE LYS A 62 4.199 -10.265 -16.333 1.00 48.03 C ATOM 669 NZ LYS A 62 5.681 -10.231 -16.454 1.00 48.74 N ATOM 0 H LYS A 62 0.712 -9.909 -11.048 1.00 23.00 H new ATOM 0 HA LYS A 62 -0.212 -8.978 -13.696 1.00 25.78 H new ATOM 0 HB2 LYS A 62 2.137 -8.580 -13.176 1.00 30.99 H new ATOM 0 HB3 LYS A 62 2.352 -10.239 -12.654 1.00 30.99 H new ATOM 0 HG2 LYS A 62 1.959 -11.028 -14.968 1.00 37.82 H new ATOM 0 HG3 LYS A 62 1.712 -9.376 -15.498 1.00 37.82 H new ATOM 0 HD2 LYS A 62 4.011 -8.784 -14.793 1.00 35.10 H new ATOM 0 HD3 LYS A 62 4.263 -10.412 -14.194 1.00 35.10 H new ATOM 0 HE2 LYS A 62 3.840 -11.274 -16.534 1.00 48.03 H new ATOM 0 HE3 LYS A 62 3.757 -9.614 -17.087 1.00 48.03 H new ATOM 0 HZ1 LYS A 62 5.958 -10.535 -17.409 1.00 48.74 H new ATOM 0 HZ2 LYS A 62 6.021 -9.262 -16.287 1.00 48.74 H new ATOM 0 HZ3 LYS A 62 6.102 -10.872 -15.751 1.00 48.74 H new ATOM 683 N ASP A 63 -0.944 -11.146 -14.577 1.00 25.78 N ATOM 684 CA ASP A 63 -1.479 -12.404 -15.070 1.00 25.28 C ATOM 685 C ASP A 63 -0.401 -13.124 -15.869 1.00 27.61 C ATOM 686 O ASP A 63 0.201 -12.541 -16.769 1.00 28.08 O ATOM 687 CB ASP A 63 -2.721 -12.159 -15.933 1.00 27.58 C ATOM 688 CG ASP A 63 -3.060 -13.344 -16.812 1.00 32.53 C ATOM 689 OD1 ASP A 63 -3.066 -14.484 -16.310 1.00 43.65 O ATOM 690 OD2 ASP A 63 -3.308 -13.137 -18.018 1.00 44.29 O ATOM 0 H ASP A 63 -1.197 -10.332 -15.137 1.00 25.78 H new ATOM 0 HA ASP A 63 -1.778 -13.027 -14.227 1.00 25.28 H new ATOM 0 HB2 ASP A 63 -3.570 -11.936 -15.287 1.00 27.58 H new ATOM 0 HB3 ASP A 63 -2.557 -11.282 -16.559 1.00 27.58 H new ATOM 695 N ARG A 64 -0.161 -14.386 -15.545 1.00 25.21 N ATOM 696 CA ARG A 64 0.871 -15.163 -16.223 1.00 26.58 C ATOM 697 C ARG A 64 0.384 -15.709 -17.564 1.00 32.09 C ATOM 698 O ARG A 64 1.158 -16.294 -18.319 1.00 35.96 O ATOM 699 CB ARG A 64 1.342 -16.309 -15.326 1.00 26.02 C ATOM 700 CG ARG A 64 2.186 -15.854 -14.144 1.00 23.07 C ATOM 701 CD ARG A 64 1.855 -16.641 -12.883 1.00 26.59 C ATOM 702 NE ARG A 64 2.083 -18.076 -13.046 1.00 24.42 N ATOM 703 CZ ARG A 64 1.617 -19.009 -12.215 1.00 28.00 C ATOM 704 NH1 ARG A 64 0.900 -18.665 -11.147 1.00 26.89 N ATOM 705 NH2 ARG A 64 1.870 -20.290 -12.452 1.00 28.46 N ATOM 0 H ARG A 64 -0.665 -14.895 -14.818 1.00 25.21 H new ATOM 0 HA ARG A 64 1.708 -14.494 -16.425 1.00 26.58 H new ATOM 0 HB2 ARG A 64 0.471 -16.848 -14.953 1.00 26.02 H new ATOM 0 HB3 ARG A 64 1.920 -17.013 -15.924 1.00 26.02 H new ATOM 0 HG2 ARG A 64 3.243 -15.975 -14.383 1.00 23.07 H new ATOM 0 HG3 ARG A 64 2.020 -14.792 -13.965 1.00 23.07 H new ATOM 0 HD2 ARG A 64 2.462 -16.271 -12.057 1.00 26.59 H new ATOM 0 HD3 ARG A 64 0.813 -16.470 -12.614 1.00 26.59 H new ATOM 0 HE ARG A 64 2.634 -18.383 -13.847 1.00 24.42 H new ATOM 0 HH11 ARG A 64 0.704 -17.682 -10.960 1.00 26.89 H new ATOM 0 HH12 ARG A 64 0.547 -19.385 -10.516 1.00 26.89 H new ATOM 0 HH21 ARG A 64 2.420 -20.559 -13.268 1.00 28.46 H new ATOM 0 HH22 ARG A 64 1.515 -21.006 -11.818 1.00 28.46 H new ATOM 719 N THR A 65 -0.894 -15.517 -17.859 1.00 33.44 N ATOM 720 CA THR A 65 -1.461 -15.998 -19.110 1.00 36.88 C ATOM 721 C THR A 65 -1.226 -14.999 -20.245 1.00 39.61 C ATOM 722 O THR A 65 -0.683 -15.349 -21.294 1.00 43.46 O ATOM 723 CB THR A 65 -2.970 -16.262 -18.963 1.00 37.93 C ATOM 724 OG1 THR A 65 -3.258 -16.703 -17.627 1.00 37.86 O ATOM 725 CG2 THR A 65 -3.439 -17.308 -19.963 1.00 41.05 C ATOM 0 H THR A 65 -1.555 -15.033 -17.251 1.00 33.44 H new ATOM 0 HA THR A 65 -0.957 -16.933 -19.356 1.00 36.88 H new ATOM 0 HB THR A 65 -3.503 -15.332 -19.163 1.00 37.93 H new ATOM 0 HG1 THR A 65 -3.357 -15.925 -17.040 1.00 37.86 H new ATOM 0 HG21 THR A 65 -4.509 -17.477 -19.839 1.00 41.05 H new ATOM 0 HG22 THR A 65 -3.242 -16.957 -20.976 1.00 41.05 H new ATOM 0 HG23 THR A 65 -2.902 -18.241 -19.792 1.00 41.05 H new ATOM 733 N SER A 66 -1.635 -13.757 -20.029 1.00 37.37 N ATOM 734 CA SER A 66 -1.470 -12.715 -21.031 1.00 38.86 C ATOM 735 C SER A 66 -0.183 -11.927 -20.801 1.00 40.19 C ATOM 736 O SER A 66 0.437 -11.445 -21.748 1.00 43.03 O ATOM 737 CB SER A 66 -2.675 -11.770 -21.011 1.00 38.83 C ATOM 738 OG SER A 66 -2.871 -11.216 -19.716 1.00 38.28 O ATOM 0 H SER A 66 -2.084 -13.447 -19.167 1.00 37.37 H new ATOM 0 HA SER A 66 -1.405 -13.193 -22.008 1.00 38.86 H new ATOM 0 HB2 SER A 66 -2.524 -10.968 -21.734 1.00 38.83 H new ATOM 0 HB3 SER A 66 -3.570 -12.311 -21.318 1.00 38.83 H new ATOM 0 HG SER A 66 -3.396 -11.838 -19.170 1.00 38.28 H new ATOM 744 N GLY A 67 0.218 -11.814 -19.540 1.00 37.65 N ATOM 745 CA GLY A 67 1.415 -11.067 -19.206 1.00 35.24 C ATOM 746 C GLY A 67 1.091 -9.629 -18.858 1.00 32.90 C ATOM 747 O GLY A 67 1.985 -8.813 -18.631 1.00 38.76 O ATOM 0 H GLY A 67 -0.265 -12.227 -18.742 1.00 37.65 H new ATOM 0 HA2 GLY A 67 1.919 -11.542 -18.364 1.00 35.24 H new ATOM 0 HA3 GLY A 67 2.108 -11.092 -20.047 1.00 35.24 H new ATOM 751 N THR A 68 -0.198 -9.327 -18.810 1.00 35.01 N ATOM 752 CA THR A 68 -0.665 -7.986 -18.501 1.00 34.10 C ATOM 753 C THR A 68 -0.846 -7.791 -16.998 1.00 32.67 C ATOM 754 O THR A 68 -1.197 -8.728 -16.274 1.00 29.63 O ATOM 755 CB THR A 68 -2.002 -7.701 -19.205 1.00 41.04 C ATOM 756 OG1 THR A 68 -2.178 -8.607 -20.302 1.00 46.72 O ATOM 757 CG2 THR A 68 -2.052 -6.270 -19.713 1.00 41.80 C ATOM 0 H THR A 68 -0.944 -10.000 -18.983 1.00 35.01 H new ATOM 0 HA THR A 68 0.095 -7.291 -18.859 1.00 34.10 H new ATOM 0 HB THR A 68 -2.806 -7.841 -18.482 1.00 41.04 H new ATOM 0 HG1 THR A 68 -2.526 -9.460 -19.969 1.00 46.72 H new ATOM 0 HG21 THR A 68 -3.007 -6.092 -20.207 1.00 41.80 H new ATOM 0 HG22 THR A 68 -1.944 -5.582 -18.874 1.00 41.80 H new ATOM 0 HG23 THR A 68 -1.241 -6.107 -20.423 1.00 41.80 H new ATOM 765 N VAL A 69 -0.598 -6.575 -16.534 1.00 33.44 N ATOM 766 CA VAL A 69 -0.752 -6.249 -15.126 1.00 31.48 C ATOM 767 C VAL A 69 -2.134 -5.652 -14.893 1.00 34.28 C ATOM 768 O VAL A 69 -2.374 -4.479 -15.190 1.00 37.70 O ATOM 769 CB VAL A 69 0.327 -5.253 -14.653 1.00 33.02 C ATOM 770 CG1 VAL A 69 0.289 -5.098 -13.143 1.00 31.05 C ATOM 771 CG2 VAL A 69 1.708 -5.699 -15.111 1.00 34.92 C ATOM 0 H VAL A 69 -0.288 -5.796 -17.115 1.00 33.44 H new ATOM 0 HA VAL A 69 -0.637 -7.168 -14.551 1.00 31.48 H new ATOM 0 HB VAL A 69 0.115 -4.283 -15.102 1.00 33.02 H new ATOM 0 HG11 VAL A 69 1.058 -4.391 -12.830 1.00 31.05 H new ATOM 0 HG12 VAL A 69 -0.690 -4.727 -12.840 1.00 31.05 H new ATOM 0 HG13 VAL A 69 0.472 -6.064 -12.673 1.00 31.05 H new ATOM 0 HG21 VAL A 69 2.454 -4.983 -14.767 1.00 34.92 H new ATOM 0 HG22 VAL A 69 1.929 -6.682 -14.695 1.00 34.92 H new ATOM 0 HG23 VAL A 69 1.731 -5.752 -16.199 1.00 34.92 H new ATOM 781 N GLU A 70 -3.045 -6.464 -14.374 1.00 27.61 N ATOM 782 CA GLU A 70 -4.411 -6.019 -14.131 1.00 28.48 C ATOM 783 C GLU A 70 -4.476 -5.059 -12.950 1.00 35.57 C ATOM 784 O GLU A 70 -4.717 -3.865 -13.125 1.00 36.58 O ATOM 785 CB GLU A 70 -5.328 -7.218 -13.887 1.00 34.68 C ATOM 786 CG GLU A 70 -5.223 -8.288 -14.958 1.00 39.08 C ATOM 787 CD GLU A 70 -6.438 -9.190 -15.003 1.00 33.19 C ATOM 788 OE1 GLU A 70 -6.999 -9.499 -13.932 1.00 39.04 O ATOM 789 OE2 GLU A 70 -6.835 -9.600 -16.115 1.00 44.88 O ATOM 0 H GLU A 70 -2.863 -7.433 -14.113 1.00 27.61 H new ATOM 0 HA GLU A 70 -4.752 -5.488 -15.019 1.00 28.48 H new ATOM 0 HB2 GLU A 70 -5.087 -7.659 -12.920 1.00 34.68 H new ATOM 0 HB3 GLU A 70 -6.360 -6.871 -13.831 1.00 34.68 H new ATOM 0 HG2 GLU A 70 -5.093 -7.812 -15.930 1.00 39.08 H new ATOM 0 HG3 GLU A 70 -4.334 -8.892 -14.777 1.00 39.08 H new ATOM 796 N ASP A 71 -4.256 -5.582 -11.753 1.00 27.90 N ATOM 797 CA ASP A 71 -4.299 -4.765 -10.547 1.00 27.06 C ATOM 798 C ASP A 71 -2.979 -4.042 -10.350 1.00 26.23 C ATOM 799 O ASP A 71 -1.919 -4.666 -10.320 1.00 25.29 O ATOM 800 CB ASP A 71 -4.614 -5.622 -9.318 1.00 27.28 C ATOM 801 CG ASP A 71 -6.041 -6.126 -9.321 1.00 36.49 C ATOM 802 OD1 ASP A 71 -6.338 -7.082 -10.066 1.00 33.15 O ATOM 803 OD2 ASP A 71 -6.881 -5.562 -8.585 1.00 44.65 O ATOM 0 H ASP A 71 -4.046 -6.567 -11.590 1.00 27.90 H new ATOM 0 HA ASP A 71 -5.093 -4.028 -10.667 1.00 27.06 H new ATOM 0 HB2 ASP A 71 -3.931 -6.471 -9.285 1.00 27.28 H new ATOM 0 HB3 ASP A 71 -4.439 -5.037 -8.415 1.00 27.28 H new ATOM 808 N ASP A 72 -3.055 -2.730 -10.225 1.00 28.12 N ATOM 809 CA ASP A 72 -1.876 -1.894 -10.039 1.00 27.09 C ATOM 810 C ASP A 72 -2.255 -0.632 -9.269 1.00 28.96 C ATOM 811 O ASP A 72 -3.010 0.207 -9.766 1.00 30.68 O ATOM 812 CB ASP A 72 -1.271 -1.534 -11.403 1.00 32.18 C ATOM 813 CG ASP A 72 -0.193 -0.473 -11.317 1.00 37.86 C ATOM 814 OD1 ASP A 72 0.769 -0.655 -10.548 1.00 34.36 O ATOM 815 OD2 ASP A 72 -0.297 0.545 -12.039 1.00 46.72 O ATOM 0 H ASP A 72 -3.933 -2.211 -10.249 1.00 28.12 H new ATOM 0 HA ASP A 72 -1.130 -2.442 -9.464 1.00 27.09 H new ATOM 0 HB2 ASP A 72 -0.852 -2.433 -11.856 1.00 32.18 H new ATOM 0 HB3 ASP A 72 -2.064 -1.184 -12.064 1.00 32.18 H new ATOM 820 N LEU A 73 -1.749 -0.509 -8.050 1.00 27.72 N ATOM 821 CA LEU A 73 -2.054 0.645 -7.210 1.00 25.71 C ATOM 822 C LEU A 73 -0.786 1.275 -6.647 1.00 28.61 C ATOM 823 O LEU A 73 0.306 0.711 -6.752 1.00 28.34 O ATOM 824 CB LEU A 73 -2.972 0.233 -6.055 1.00 28.50 C ATOM 825 CG LEU A 73 -4.368 -0.237 -6.462 1.00 38.00 C ATOM 826 CD1 LEU A 73 -5.043 -0.946 -5.301 1.00 46.75 C ATOM 827 CD2 LEU A 73 -5.215 0.938 -6.929 1.00 41.56 C ATOM 0 H LEU A 73 -1.126 -1.192 -7.619 1.00 27.72 H new ATOM 0 HA LEU A 73 -2.558 1.382 -7.835 1.00 25.71 H new ATOM 0 HB2 LEU A 73 -2.487 -0.567 -5.495 1.00 28.50 H new ATOM 0 HB3 LEU A 73 -3.076 1.080 -5.376 1.00 28.50 H new ATOM 0 HG LEU A 73 -4.268 -0.938 -7.290 1.00 38.00 H new ATOM 0 HD11 LEU A 73 -6.037 -1.276 -5.604 1.00 46.75 H new ATOM 0 HD12 LEU A 73 -4.448 -1.811 -5.007 1.00 46.75 H new ATOM 0 HD13 LEU A 73 -5.130 -0.261 -4.457 1.00 46.75 H new ATOM 0 HD21 LEU A 73 -6.205 0.582 -7.214 1.00 41.56 H new ATOM 0 HD22 LEU A 73 -5.309 1.663 -6.120 1.00 41.56 H new ATOM 0 HD23 LEU A 73 -4.738 1.412 -7.787 1.00 41.56 H new ATOM 839 N ILE A 74 -0.945 2.450 -6.050 1.00 26.56 N ATOM 840 CA ILE A 74 0.167 3.165 -5.449 1.00 26.14 C ATOM 841 C ILE A 74 0.109 2.985 -3.938 1.00 27.51 C ATOM 842 O ILE A 74 -0.531 3.761 -3.228 1.00 28.90 O ATOM 843 CB ILE A 74 0.134 4.670 -5.795 1.00 28.52 C ATOM 844 CG1 ILE A 74 -0.031 4.869 -7.305 1.00 30.04 C ATOM 845 CG2 ILE A 74 1.406 5.351 -5.309 1.00 31.95 C ATOM 846 CD1 ILE A 74 -0.168 6.320 -7.722 1.00 35.26 C ATOM 0 H ILE A 74 -1.842 2.929 -5.971 1.00 26.56 H new ATOM 0 HA ILE A 74 1.095 2.756 -5.848 1.00 26.14 H new ATOM 0 HB ILE A 74 -0.720 5.123 -5.291 1.00 28.52 H new ATOM 0 HG12 ILE A 74 0.829 4.434 -7.815 1.00 30.04 H new ATOM 0 HG13 ILE A 74 -0.911 4.320 -7.640 1.00 30.04 H new ATOM 0 HG21 ILE A 74 1.370 6.411 -5.559 1.00 31.95 H new ATOM 0 HG22 ILE A 74 1.490 5.236 -4.228 1.00 31.95 H new ATOM 0 HG23 ILE A 74 2.270 4.894 -5.791 1.00 31.95 H new ATOM 0 HD11 ILE A 74 -0.281 6.378 -8.805 1.00 35.26 H new ATOM 0 HD12 ILE A 74 -1.044 6.755 -7.242 1.00 35.26 H new ATOM 0 HD13 ILE A 74 0.723 6.871 -7.420 1.00 35.26 H new ATOM 858 N ILE A 75 0.768 1.946 -3.460 1.00 25.23 N ATOM 859 CA ILE A 75 0.769 1.630 -2.044 1.00 23.84 C ATOM 860 C ILE A 75 1.785 2.474 -1.286 1.00 27.62 C ATOM 861 O ILE A 75 2.893 2.723 -1.765 1.00 28.33 O ATOM 862 CB ILE A 75 1.072 0.132 -1.807 1.00 26.16 C ATOM 863 CG1 ILE A 75 0.145 -0.749 -2.654 1.00 34.34 C ATOM 864 CG2 ILE A 75 0.949 -0.220 -0.331 1.00 27.19 C ATOM 865 CD1 ILE A 75 -1.331 -0.469 -2.456 1.00 41.17 C ATOM 0 H ILE A 75 1.312 1.303 -4.035 1.00 25.23 H new ATOM 0 HA ILE A 75 -0.229 1.857 -1.668 1.00 23.84 H new ATOM 0 HB ILE A 75 2.100 -0.058 -2.115 1.00 26.16 H new ATOM 0 HG12 ILE A 75 0.392 -0.610 -3.707 1.00 34.34 H new ATOM 0 HG13 ILE A 75 0.340 -1.795 -2.417 1.00 34.34 H new ATOM 0 HG21 ILE A 75 1.167 -1.279 -0.190 1.00 27.19 H new ATOM 0 HG22 ILE A 75 1.657 0.376 0.245 1.00 27.19 H new ATOM 0 HG23 ILE A 75 -0.065 -0.010 0.010 1.00 27.19 H new ATOM 0 HD11 ILE A 75 -1.916 -1.134 -3.091 1.00 41.17 H new ATOM 0 HD12 ILE A 75 -1.596 -0.637 -1.412 1.00 41.17 H new ATOM 0 HD13 ILE A 75 -1.544 0.566 -2.722 1.00 41.17 H new ATOM 877 N PHE A 76 1.384 2.926 -0.114 1.00 27.22 N ATOM 878 CA PHE A 76 2.242 3.718 0.742 1.00 29.75 C ATOM 879 C PHE A 76 2.375 3.042 2.098 1.00 28.37 C ATOM 880 O PHE A 76 1.481 2.303 2.514 1.00 30.39 O ATOM 881 CB PHE A 76 1.672 5.124 0.908 1.00 28.99 C ATOM 882 CG PHE A 76 2.278 6.130 -0.027 1.00 26.06 C ATOM 883 CD1 PHE A 76 1.792 6.281 -1.314 1.00 29.04 C ATOM 884 CD2 PHE A 76 3.332 6.924 0.386 1.00 26.47 C ATOM 885 CE1 PHE A 76 2.349 7.209 -2.171 1.00 30.38 C ATOM 886 CE2 PHE A 76 3.892 7.853 -0.466 1.00 27.65 C ATOM 887 CZ PHE A 76 3.400 7.996 -1.747 1.00 29.98 C ATOM 0 H PHE A 76 0.455 2.754 0.270 1.00 27.22 H new ATOM 0 HA PHE A 76 3.228 3.797 0.283 1.00 29.75 H new ATOM 0 HB2 PHE A 76 0.595 5.092 0.746 1.00 28.99 H new ATOM 0 HB3 PHE A 76 1.830 5.453 1.935 1.00 28.99 H new ATOM 0 HD1 PHE A 76 0.970 5.667 -1.651 1.00 29.04 H new ATOM 0 HD2 PHE A 76 3.721 6.815 1.388 1.00 26.47 H new ATOM 0 HE1 PHE A 76 1.962 7.319 -3.173 1.00 30.38 H new ATOM 0 HE2 PHE A 76 4.714 8.468 -0.131 1.00 27.65 H new ATOM 0 HZ PHE A 76 3.837 8.722 -2.416 1.00 29.98 H new ATOM 897 N PRO A 77 3.498 3.265 2.794 1.00 29.47 N ATOM 898 CA PRO A 77 3.744 2.679 4.114 1.00 29.23 C ATOM 899 C PRO A 77 2.584 2.881 5.086 1.00 36.32 C ATOM 900 O PRO A 77 2.070 3.994 5.228 1.00 38.20 O ATOM 901 CB PRO A 77 4.977 3.431 4.605 1.00 29.39 C ATOM 902 CG PRO A 77 5.701 3.809 3.361 1.00 32.72 C ATOM 903 CD PRO A 77 4.638 4.087 2.336 1.00 31.35 C ATOM 0 HA PRO A 77 3.870 1.598 4.053 1.00 29.23 H new ATOM 0 HB2 PRO A 77 4.700 4.311 5.186 1.00 29.39 H new ATOM 0 HB3 PRO A 77 5.594 2.804 5.249 1.00 29.39 H new ATOM 0 HG2 PRO A 77 6.326 4.687 3.524 1.00 32.72 H new ATOM 0 HG3 PRO A 77 6.360 3.005 3.033 1.00 32.72 H new ATOM 0 HD2 PRO A 77 4.381 5.146 2.300 1.00 31.35 H new ATOM 0 HD3 PRO A 77 4.961 3.803 1.334 1.00 31.35 H new ATOM 911 N ASP A 78 2.159 1.777 5.706 1.00 37.07 N ATOM 912 CA ASP A 78 1.079 1.762 6.705 1.00 38.13 C ATOM 913 C ASP A 78 -0.313 1.851 6.080 1.00 38.12 C ATOM 914 O ASP A 78 -1.310 1.580 6.748 1.00 41.39 O ATOM 915 CB ASP A 78 1.257 2.888 7.738 1.00 44.12 C ATOM 916 CG ASP A 78 0.261 2.803 8.882 1.00 58.24 C ATOM 917 OD1 ASP A 78 0.347 1.840 9.679 1.00 63.10 O ATOM 918 OD2 ASP A 78 -0.603 3.699 8.997 1.00 68.01 O ATOM 0 H ASP A 78 2.558 0.855 5.528 1.00 37.07 H new ATOM 0 HA ASP A 78 1.152 0.797 7.207 1.00 38.13 H new ATOM 0 HB2 ASP A 78 2.269 2.848 8.140 1.00 44.12 H new ATOM 0 HB3 ASP A 78 1.149 3.852 7.240 1.00 44.12 H new ATOM 923 N ASP A 79 -0.399 2.206 4.803 1.00 32.78 N ATOM 924 CA ASP A 79 -1.705 2.318 4.150 1.00 31.87 C ATOM 925 C ASP A 79 -2.329 0.944 3.960 1.00 31.67 C ATOM 926 O ASP A 79 -3.552 0.794 3.976 1.00 31.28 O ATOM 927 CB ASP A 79 -1.605 3.037 2.802 1.00 30.43 C ATOM 928 CG ASP A 79 -2.951 3.571 2.343 1.00 37.99 C ATOM 929 OD1 ASP A 79 -3.625 4.251 3.150 1.00 32.65 O ATOM 930 OD2 ASP A 79 -3.341 3.315 1.184 1.00 39.45 O ATOM 0 H ASP A 79 0.401 2.418 4.206 1.00 32.78 H new ATOM 0 HA ASP A 79 -2.343 2.913 4.803 1.00 31.87 H new ATOM 0 HB2 ASP A 79 -0.896 3.861 2.882 1.00 30.43 H new ATOM 0 HB3 ASP A 79 -1.212 2.350 2.052 1.00 30.43 H new ATOM 935 N CYS A 80 -1.483 -0.065 3.812 1.00 31.58 N ATOM 936 CA CYS A 80 -1.951 -1.427 3.620 1.00 30.94 C ATOM 937 C CYS A 80 -1.542 -2.324 4.777 1.00 28.98 C ATOM 938 O CYS A 80 -0.564 -2.053 5.477 1.00 31.11 O ATOM 939 CB CYS A 80 -1.407 -1.988 2.312 1.00 31.93 C ATOM 940 SG CYS A 80 -2.044 -1.151 0.848 1.00 37.05 S ATOM 0 H CYS A 80 -0.468 0.035 3.821 1.00 31.58 H new ATOM 0 HA CYS A 80 -3.040 -1.403 3.580 1.00 30.94 H new ATOM 0 HB2 CYS A 80 -0.320 -1.913 2.319 1.00 31.93 H new ATOM 0 HB3 CYS A 80 -1.653 -3.048 2.250 1.00 31.93 H new ATOM 0 HG CYS A 80 -3.313 -0.914 1.001 1.00 37.05 H new ATOM 946 N GLU A 81 -2.301 -3.392 4.969 1.00 25.38 N ATOM 947 CA GLU A 81 -2.035 -4.346 6.029 1.00 28.86 C ATOM 948 C GLU A 81 -2.405 -5.748 5.557 1.00 26.91 C ATOM 949 O GLU A 81 -3.547 -5.996 5.166 1.00 29.90 O ATOM 950 CB GLU A 81 -2.833 -3.980 7.281 1.00 32.62 C ATOM 951 CG GLU A 81 -2.295 -4.612 8.550 1.00 41.20 C ATOM 952 CD GLU A 81 -3.325 -4.660 9.655 1.00 46.74 C ATOM 953 OE1 GLU A 81 -4.140 -3.718 9.764 1.00 59.83 O ATOM 954 OE2 GLU A 81 -3.334 -5.652 10.415 1.00 54.12 O ATOM 0 H GLU A 81 -3.114 -3.619 4.396 1.00 25.38 H new ATOM 0 HA GLU A 81 -0.974 -4.321 6.277 1.00 28.86 H new ATOM 0 HB2 GLU A 81 -2.834 -2.896 7.397 1.00 32.62 H new ATOM 0 HB3 GLU A 81 -3.870 -4.287 7.143 1.00 32.62 H new ATOM 0 HG2 GLU A 81 -1.954 -5.624 8.332 1.00 41.20 H new ATOM 0 HG3 GLU A 81 -1.426 -4.050 8.892 1.00 41.20 H new ATOM 961 N PHE A 82 -1.445 -6.659 5.587 1.00 27.17 N ATOM 962 CA PHE A 82 -1.680 -8.027 5.142 1.00 24.89 C ATOM 963 C PHE A 82 -2.000 -8.935 6.326 1.00 26.35 C ATOM 964 O PHE A 82 -1.362 -8.850 7.380 1.00 28.01 O ATOM 965 CB PHE A 82 -0.457 -8.551 4.384 1.00 24.82 C ATOM 966 CG PHE A 82 -0.790 -9.460 3.230 1.00 26.08 C ATOM 967 CD1 PHE A 82 -1.749 -9.103 2.296 1.00 26.96 C ATOM 968 CD2 PHE A 82 -0.130 -10.665 3.075 1.00 25.08 C ATOM 969 CE1 PHE A 82 -2.043 -9.933 1.232 1.00 25.16 C ATOM 970 CE2 PHE A 82 -0.419 -11.500 2.014 1.00 24.61 C ATOM 971 CZ PHE A 82 -1.377 -11.134 1.089 1.00 23.81 C ATOM 0 H PHE A 82 -0.496 -6.478 5.914 1.00 27.17 H new ATOM 0 HA PHE A 82 -2.539 -8.028 4.471 1.00 24.89 H new ATOM 0 HB2 PHE A 82 0.116 -7.702 4.010 1.00 24.82 H new ATOM 0 HB3 PHE A 82 0.186 -9.088 5.081 1.00 24.82 H new ATOM 0 HD1 PHE A 82 -2.273 -8.164 2.401 1.00 26.96 H new ATOM 0 HD2 PHE A 82 0.622 -10.957 3.793 1.00 25.08 H new ATOM 0 HE1 PHE A 82 -2.794 -9.643 0.512 1.00 25.16 H new ATOM 0 HE2 PHE A 82 0.104 -12.439 1.907 1.00 24.61 H new ATOM 0 HZ PHE A 82 -1.604 -11.784 0.257 1.00 23.81 H new ATOM 981 N LYS A 83 -2.999 -9.785 6.153 1.00 25.24 N ATOM 982 CA LYS A 83 -3.415 -10.712 7.195 1.00 27.67 C ATOM 983 C LYS A 83 -3.998 -11.966 6.556 1.00 24.72 C ATOM 984 O LYS A 83 -4.242 -11.990 5.352 1.00 26.15 O ATOM 985 CB LYS A 83 -4.458 -10.045 8.099 1.00 34.55 C ATOM 986 CG LYS A 83 -4.535 -10.632 9.504 1.00 49.96 C ATOM 987 CD LYS A 83 -3.303 -10.286 10.328 1.00 44.98 C ATOM 988 CE LYS A 83 -3.268 -8.811 10.685 1.00 55.29 C ATOM 989 NZ LYS A 83 -2.072 -8.122 10.128 1.00 57.71 N ATOM 0 H LYS A 83 -3.542 -9.853 5.292 1.00 25.24 H new ATOM 0 HA LYS A 83 -2.552 -10.988 7.801 1.00 27.67 H new ATOM 0 HB2 LYS A 83 -4.231 -8.982 8.174 1.00 34.55 H new ATOM 0 HB3 LYS A 83 -5.437 -10.129 7.628 1.00 34.55 H new ATOM 0 HG2 LYS A 83 -5.426 -10.256 10.007 1.00 49.96 H new ATOM 0 HG3 LYS A 83 -4.638 -11.715 9.440 1.00 49.96 H new ATOM 0 HD2 LYS A 83 -3.295 -10.882 11.240 1.00 44.98 H new ATOM 0 HD3 LYS A 83 -2.405 -10.547 9.769 1.00 44.98 H new ATOM 0 HE2 LYS A 83 -4.170 -8.328 10.310 1.00 55.29 H new ATOM 0 HE3 LYS A 83 -3.275 -8.702 11.770 1.00 55.29 H new ATOM 0 HZ1 LYS A 83 -2.233 -7.094 10.126 1.00 57.71 H new ATOM 0 HZ2 LYS A 83 -1.241 -8.342 10.713 1.00 57.71 H new ATOM 0 HZ3 LYS A 83 -1.906 -8.448 9.154 1.00 57.71 H new ATOM 1003 N ARG A 84 -4.199 -13.009 7.346 1.00 26.20 N ATOM 1004 CA ARG A 84 -4.770 -14.251 6.846 1.00 24.84 C ATOM 1005 C ARG A 84 -6.084 -14.538 7.562 1.00 26.43 C ATOM 1006 O ARG A 84 -6.279 -14.116 8.703 1.00 28.19 O ATOM 1007 CB ARG A 84 -3.786 -15.415 7.044 1.00 27.68 C ATOM 1008 CG ARG A 84 -4.314 -16.763 6.565 1.00 30.59 C ATOM 1009 CD ARG A 84 -3.186 -17.728 6.239 1.00 38.05 C ATOM 1010 NE ARG A 84 -2.357 -18.027 7.405 1.00 45.74 N ATOM 1011 CZ ARG A 84 -1.294 -18.831 7.378 1.00 54.89 C ATOM 1012 NH1 ARG A 84 -0.901 -19.383 6.235 1.00 55.75 N ATOM 1013 NH2 ARG A 84 -0.611 -19.065 8.495 1.00 51.71 N ATOM 0 H ARG A 84 -3.974 -13.020 8.341 1.00 26.20 H new ATOM 0 HA ARG A 84 -4.963 -14.146 5.778 1.00 24.84 H new ATOM 0 HB2 ARG A 84 -2.861 -15.189 6.513 1.00 27.68 H new ATOM 0 HB3 ARG A 84 -3.536 -15.490 8.102 1.00 27.68 H new ATOM 0 HG2 ARG A 84 -4.953 -17.197 7.334 1.00 30.59 H new ATOM 0 HG3 ARG A 84 -4.934 -16.617 5.681 1.00 30.59 H new ATOM 0 HD2 ARG A 84 -3.605 -18.655 5.847 1.00 38.05 H new ATOM 0 HD3 ARG A 84 -2.563 -17.302 5.452 1.00 38.05 H new ATOM 0 HE ARG A 84 -2.607 -17.594 8.294 1.00 45.74 H new ATOM 0 HH11 ARG A 84 -1.413 -19.192 5.374 1.00 55.75 H new ATOM 0 HH12 ARG A 84 -0.087 -19.998 6.219 1.00 55.75 H new ATOM 0 HH21 ARG A 84 -0.901 -18.630 9.371 1.00 51.71 H new ATOM 0 HH22 ARG A 84 0.203 -19.680 8.476 1.00 51.71 H new ATOM 1027 N VAL A 85 -6.992 -15.228 6.885 1.00 26.80 N ATOM 1028 CA VAL A 85 -8.279 -15.572 7.470 1.00 28.35 C ATOM 1029 C VAL A 85 -8.231 -16.987 8.046 1.00 26.05 C ATOM 1030 O VAL A 85 -8.256 -17.966 7.301 1.00 30.08 O ATOM 1031 CB VAL A 85 -9.419 -15.482 6.433 1.00 28.02 C ATOM 1032 CG1 VAL A 85 -10.775 -15.506 7.124 1.00 31.09 C ATOM 1033 CG2 VAL A 85 -9.276 -14.232 5.576 1.00 26.97 C ATOM 0 H VAL A 85 -6.860 -15.560 5.930 1.00 26.80 H new ATOM 0 HA VAL A 85 -8.481 -14.853 8.264 1.00 28.35 H new ATOM 0 HB VAL A 85 -9.351 -16.351 5.778 1.00 28.02 H new ATOM 0 HG11 VAL A 85 -11.566 -15.442 6.376 1.00 31.09 H new ATOM 0 HG12 VAL A 85 -10.881 -16.434 7.685 1.00 31.09 H new ATOM 0 HG13 VAL A 85 -10.851 -14.659 7.806 1.00 31.09 H new ATOM 0 HG21 VAL A 85 -10.091 -14.191 4.853 1.00 26.97 H new ATOM 0 HG22 VAL A 85 -9.311 -13.348 6.213 1.00 26.97 H new ATOM 0 HG23 VAL A 85 -8.323 -14.260 5.047 1.00 26.97 H new ATOM 1043 N PRO A 86 -8.165 -17.114 9.383 1.00 32.41 N ATOM 1044 CA PRO A 86 -8.099 -18.419 10.051 1.00 33.92 C ATOM 1045 C PRO A 86 -9.430 -19.166 10.006 1.00 37.33 C ATOM 1046 O PRO A 86 -9.517 -20.332 10.392 1.00 42.97 O ATOM 1047 CB PRO A 86 -7.733 -18.059 11.492 1.00 38.12 C ATOM 1048 CG PRO A 86 -8.268 -16.681 11.683 1.00 38.96 C ATOM 1049 CD PRO A 86 -8.149 -15.998 10.348 1.00 35.71 C ATOM 0 HA PRO A 86 -7.386 -19.088 9.569 1.00 33.92 H new ATOM 0 HB2 PRO A 86 -8.177 -18.758 12.200 1.00 38.12 H new ATOM 0 HB3 PRO A 86 -6.654 -18.090 11.647 1.00 38.12 H new ATOM 0 HG2 PRO A 86 -9.306 -16.709 12.015 1.00 38.96 H new ATOM 0 HG3 PRO A 86 -7.703 -16.146 12.446 1.00 38.96 H new ATOM 0 HD2 PRO A 86 -8.975 -15.308 10.176 1.00 35.71 H new ATOM 0 HD3 PRO A 86 -7.229 -15.418 10.275 1.00 35.71 H new ATOM 1057 N GLN A 87 -10.466 -18.490 9.532 1.00 34.50 N ATOM 1058 CA GLN A 87 -11.787 -19.094 9.437 1.00 34.12 C ATOM 1059 C GLN A 87 -11.888 -19.958 8.185 1.00 32.97 C ATOM 1060 O GLN A 87 -12.786 -20.792 8.061 1.00 29.14 O ATOM 1061 CB GLN A 87 -12.872 -18.015 9.421 1.00 35.26 C ATOM 1062 CG GLN A 87 -12.795 -17.052 10.598 1.00 42.92 C ATOM 1063 CD GLN A 87 -12.715 -17.758 11.939 1.00 54.68 C ATOM 1064 OE1 GLN A 87 -13.234 -18.862 12.109 1.00 53.82 O ATOM 1065 NE2 GLN A 87 -12.058 -17.124 12.898 1.00 56.31 N ATOM 0 H GLN A 87 -10.418 -17.524 9.208 1.00 34.50 H new ATOM 0 HA GLN A 87 -11.938 -19.726 10.312 1.00 34.12 H new ATOM 0 HB2 GLN A 87 -12.794 -17.448 8.493 1.00 35.26 H new ATOM 0 HB3 GLN A 87 -13.850 -18.496 9.420 1.00 35.26 H new ATOM 0 HG2 GLN A 87 -11.922 -16.411 10.479 1.00 42.92 H new ATOM 0 HG3 GLN A 87 -13.671 -16.403 10.587 1.00 42.92 H new ATOM 0 HE21 GLN A 87 -11.643 -16.210 12.714 1.00 56.31 H new ATOM 0 HE22 GLN A 87 -11.967 -17.549 13.821 1.00 56.31 H new ATOM 1074 N CYS A 88 -10.960 -19.762 7.263 1.00 30.59 N ATOM 1075 CA CYS A 88 -10.946 -20.519 6.025 1.00 30.96 C ATOM 1076 C CYS A 88 -10.261 -21.869 6.224 1.00 32.25 C ATOM 1077 O CYS A 88 -9.093 -21.927 6.616 1.00 33.41 O ATOM 1078 CB CYS A 88 -10.239 -19.722 4.933 1.00 32.19 C ATOM 1079 SG CYS A 88 -11.046 -18.154 4.541 1.00 39.96 S ATOM 0 H CYS A 88 -10.205 -19.082 7.350 1.00 30.59 H new ATOM 0 HA CYS A 88 -11.976 -20.702 5.719 1.00 30.96 H new ATOM 0 HB2 CYS A 88 -9.214 -19.525 5.246 1.00 32.19 H new ATOM 0 HB3 CYS A 88 -10.186 -20.329 4.029 1.00 32.19 H new ATOM 0 HG CYS A 88 -11.396 -18.147 3.289 1.00 39.96 H new ATOM 1085 N PRO A 89 -10.991 -22.974 5.979 1.00 33.30 N ATOM 1086 CA PRO A 89 -10.461 -24.338 6.121 1.00 32.59 C ATOM 1087 C PRO A 89 -9.212 -24.583 5.278 1.00 34.13 C ATOM 1088 O PRO A 89 -8.357 -25.387 5.648 1.00 38.31 O ATOM 1089 CB PRO A 89 -11.609 -25.228 5.636 1.00 37.71 C ATOM 1090 CG PRO A 89 -12.832 -24.403 5.826 1.00 38.21 C ATOM 1091 CD PRO A 89 -12.410 -22.983 5.574 1.00 32.90 C ATOM 0 HA PRO A 89 -10.151 -24.536 7.147 1.00 32.59 H new ATOM 0 HB2 PRO A 89 -11.479 -25.508 4.591 1.00 37.71 H new ATOM 0 HB3 PRO A 89 -11.662 -26.153 6.210 1.00 37.71 H new ATOM 0 HG2 PRO A 89 -13.619 -24.706 5.135 1.00 38.21 H new ATOM 0 HG3 PRO A 89 -13.230 -24.520 6.834 1.00 38.21 H new ATOM 0 HD2 PRO A 89 -12.531 -22.707 4.526 1.00 32.90 H new ATOM 0 HD3 PRO A 89 -13.000 -22.278 6.160 1.00 32.90 H new ATOM 1099 N SER A 90 -9.110 -23.886 4.150 1.00 34.04 N ATOM 1100 CA SER A 90 -7.959 -24.029 3.268 1.00 33.45 C ATOM 1101 C SER A 90 -6.697 -23.513 3.954 1.00 29.83 C ATOM 1102 O SER A 90 -5.638 -24.140 3.891 1.00 32.46 O ATOM 1103 CB SER A 90 -8.197 -23.267 1.964 1.00 33.88 C ATOM 1104 OG SER A 90 -8.561 -21.921 2.227 1.00 33.97 O ATOM 0 H SER A 90 -9.810 -23.218 3.827 1.00 34.04 H new ATOM 0 HA SER A 90 -7.825 -25.086 3.040 1.00 33.45 H new ATOM 0 HB2 SER A 90 -7.295 -23.292 1.353 1.00 33.88 H new ATOM 0 HB3 SER A 90 -8.984 -23.756 1.390 1.00 33.88 H new ATOM 0 HG SER A 90 -9.008 -21.543 1.441 1.00 33.97 H new ATOM 1110 N GLY A 91 -6.826 -22.367 4.613 1.00 27.54 N ATOM 1111 CA GLY A 91 -5.701 -21.773 5.308 1.00 29.96 C ATOM 1112 C GLY A 91 -4.744 -21.063 4.371 1.00 31.42 C ATOM 1113 O GLY A 91 -3.656 -20.663 4.779 1.00 34.09 O ATOM 0 H GLY A 91 -7.695 -21.837 4.678 1.00 27.54 H new ATOM 0 HA2 GLY A 91 -6.070 -21.064 6.049 1.00 29.96 H new ATOM 0 HA3 GLY A 91 -5.163 -22.550 5.850 1.00 29.96 H new ATOM 1117 N ARG A 92 -5.144 -20.901 3.113 1.00 27.65 N ATOM 1118 CA ARG A 92 -4.298 -20.235 2.124 1.00 24.26 C ATOM 1119 C ARG A 92 -4.906 -18.902 1.709 1.00 23.50 C ATOM 1120 O ARG A 92 -4.388 -18.219 0.827 1.00 23.58 O ATOM 1121 CB ARG A 92 -4.113 -21.112 0.878 1.00 28.75 C ATOM 1122 CG ARG A 92 -3.837 -22.580 1.175 1.00 30.87 C ATOM 1123 CD ARG A 92 -2.613 -22.766 2.063 1.00 25.34 C ATOM 1124 NE ARG A 92 -1.418 -22.106 1.531 1.00 25.37 N ATOM 1125 CZ ARG A 92 -0.679 -22.581 0.524 1.00 27.61 C ATOM 1126 NH1 ARG A 92 -1.024 -23.704 -0.095 1.00 30.43 N ATOM 1127 NH2 ARG A 92 0.415 -21.939 0.146 1.00 28.83 N ATOM 0 H ARG A 92 -6.044 -21.220 2.754 1.00 27.65 H new ATOM 0 HA ARG A 92 -3.326 -20.063 2.586 1.00 24.26 H new ATOM 0 HB2 ARG A 92 -5.010 -21.041 0.263 1.00 28.75 H new ATOM 0 HB3 ARG A 92 -3.289 -20.713 0.287 1.00 28.75 H new ATOM 0 HG2 ARG A 92 -4.707 -23.021 1.661 1.00 30.87 H new ATOM 0 HG3 ARG A 92 -3.689 -23.117 0.238 1.00 30.87 H new ATOM 0 HD2 ARG A 92 -2.828 -22.372 3.056 1.00 25.34 H new ATOM 0 HD3 ARG A 92 -2.413 -23.831 2.179 1.00 25.34 H new ATOM 0 HE ARG A 92 -1.131 -21.225 1.958 1.00 25.37 H new ATOM 0 HH11 ARG A 92 -1.859 -24.212 0.197 1.00 30.43 H new ATOM 0 HH12 ARG A 92 -0.454 -24.059 -0.863 1.00 30.43 H new ATOM 0 HH21 ARG A 92 0.694 -21.082 0.623 1.00 28.83 H new ATOM 0 HH22 ARG A 92 0.979 -22.301 -0.623 1.00 28.83 H new ATOM 1141 N VAL A 93 -6.009 -18.544 2.351 1.00 22.88 N ATOM 1142 CA VAL A 93 -6.705 -17.303 2.039 1.00 22.13 C ATOM 1143 C VAL A 93 -6.136 -16.133 2.833 1.00 21.42 C ATOM 1144 O VAL A 93 -6.211 -16.100 4.064 1.00 22.34 O ATOM 1145 CB VAL A 93 -8.222 -17.421 2.309 1.00 22.65 C ATOM 1146 CG1 VAL A 93 -8.941 -16.128 1.944 1.00 22.64 C ATOM 1147 CG2 VAL A 93 -8.810 -18.597 1.538 1.00 26.59 C ATOM 0 H VAL A 93 -6.442 -19.096 3.092 1.00 22.88 H new ATOM 0 HA VAL A 93 -6.553 -17.115 0.976 1.00 22.13 H new ATOM 0 HB VAL A 93 -8.366 -17.599 3.375 1.00 22.65 H new ATOM 0 HG11 VAL A 93 -10.007 -16.236 2.143 1.00 22.64 H new ATOM 0 HG12 VAL A 93 -8.542 -15.308 2.541 1.00 22.64 H new ATOM 0 HG13 VAL A 93 -8.789 -15.913 0.886 1.00 22.64 H new ATOM 0 HG21 VAL A 93 -9.879 -18.666 1.739 1.00 26.59 H new ATOM 0 HG22 VAL A 93 -8.651 -18.448 0.470 1.00 26.59 H new ATOM 0 HG23 VAL A 93 -8.321 -19.519 1.853 1.00 26.59 H new ATOM 1157 N TYR A 94 -5.568 -15.182 2.114 1.00 22.73 N ATOM 1158 CA TYR A 94 -4.990 -13.995 2.716 1.00 22.99 C ATOM 1159 C TYR A 94 -5.828 -12.772 2.350 1.00 26.07 C ATOM 1160 O TYR A 94 -6.536 -12.773 1.343 1.00 23.44 O ATOM 1161 CB TYR A 94 -3.544 -13.805 2.249 1.00 21.02 C ATOM 1162 CG TYR A 94 -2.523 -14.506 3.120 1.00 22.31 C ATOM 1163 CD1 TYR A 94 -2.128 -15.811 2.858 1.00 25.65 C ATOM 1164 CD2 TYR A 94 -1.952 -13.854 4.202 1.00 23.62 C ATOM 1165 CE1 TYR A 94 -1.193 -16.447 3.655 1.00 22.18 C ATOM 1166 CE2 TYR A 94 -1.018 -14.479 5.002 1.00 23.29 C ATOM 1167 CZ TYR A 94 -0.639 -15.776 4.727 1.00 22.64 C ATOM 1168 OH TYR A 94 0.292 -16.405 5.524 1.00 28.22 O ATOM 0 H TYR A 94 -5.495 -15.211 1.097 1.00 22.73 H new ATOM 0 HA TYR A 94 -4.987 -14.116 3.799 1.00 22.99 H new ATOM 0 HB2 TYR A 94 -3.451 -14.174 1.228 1.00 21.02 H new ATOM 0 HB3 TYR A 94 -3.317 -12.739 2.225 1.00 21.02 H new ATOM 0 HD1 TYR A 94 -2.557 -16.338 2.019 1.00 25.65 H new ATOM 0 HD2 TYR A 94 -2.244 -12.838 4.423 1.00 23.62 H new ATOM 0 HE1 TYR A 94 -0.898 -17.463 3.440 1.00 22.18 H new ATOM 0 HE2 TYR A 94 -0.585 -13.954 5.841 1.00 23.29 H new ATOM 0 HH TYR A 94 0.233 -16.052 6.436 1.00 28.22 H new ATOM 1178 N VAL A 95 -5.747 -11.738 3.166 1.00 24.99 N ATOM 1179 CA VAL A 95 -6.508 -10.523 2.932 1.00 23.89 C ATOM 1180 C VAL A 95 -5.627 -9.282 3.083 1.00 23.26 C ATOM 1181 O VAL A 95 -4.801 -9.190 3.995 1.00 23.44 O ATOM 1182 CB VAL A 95 -7.727 -10.433 3.886 1.00 25.51 C ATOM 1183 CG1 VAL A 95 -7.301 -10.594 5.338 1.00 27.46 C ATOM 1184 CG2 VAL A 95 -8.484 -9.127 3.690 1.00 25.26 C ATOM 0 H VAL A 95 -5.160 -11.714 4.000 1.00 24.99 H new ATOM 0 HA VAL A 95 -6.876 -10.562 1.907 1.00 23.89 H new ATOM 0 HB VAL A 95 -8.400 -11.254 3.637 1.00 25.51 H new ATOM 0 HG11 VAL A 95 -8.177 -10.526 5.984 1.00 27.46 H new ATOM 0 HG12 VAL A 95 -6.825 -11.566 5.472 1.00 27.46 H new ATOM 0 HG13 VAL A 95 -6.595 -9.805 5.600 1.00 27.46 H new ATOM 0 HG21 VAL A 95 -9.333 -9.093 4.372 1.00 25.26 H new ATOM 0 HG22 VAL A 95 -7.820 -8.287 3.895 1.00 25.26 H new ATOM 0 HG23 VAL A 95 -8.842 -9.065 2.662 1.00 25.26 H new ATOM 1194 N LEU A 96 -5.791 -8.350 2.157 1.00 23.86 N ATOM 1195 CA LEU A 96 -5.057 -7.098 2.167 1.00 23.96 C ATOM 1196 C LEU A 96 -6.022 -5.978 2.529 1.00 23.08 C ATOM 1197 O LEU A 96 -6.695 -5.413 1.663 1.00 24.63 O ATOM 1198 CB LEU A 96 -4.418 -6.837 0.798 1.00 22.80 C ATOM 1199 CG LEU A 96 -3.564 -5.570 0.701 1.00 24.99 C ATOM 1200 CD1 LEU A 96 -2.305 -5.705 1.545 1.00 27.30 C ATOM 1201 CD2 LEU A 96 -3.206 -5.280 -0.749 1.00 30.96 C ATOM 0 H LEU A 96 -6.440 -8.443 1.375 1.00 23.86 H new ATOM 0 HA LEU A 96 -4.254 -7.146 2.902 1.00 23.96 H new ATOM 0 HB2 LEU A 96 -3.797 -7.694 0.537 1.00 22.80 H new ATOM 0 HB3 LEU A 96 -5.210 -6.778 0.052 1.00 22.80 H new ATOM 0 HG LEU A 96 -4.146 -4.733 1.087 1.00 24.99 H new ATOM 0 HD11 LEU A 96 -1.712 -4.794 1.462 1.00 27.30 H new ATOM 0 HD12 LEU A 96 -2.581 -5.865 2.587 1.00 27.30 H new ATOM 0 HD13 LEU A 96 -1.719 -6.553 1.191 1.00 27.30 H new ATOM 0 HD21 LEU A 96 -2.599 -4.376 -0.800 1.00 30.96 H new ATOM 0 HD22 LEU A 96 -2.644 -6.119 -1.160 1.00 30.96 H new ATOM 0 HD23 LEU A 96 -4.119 -5.137 -1.328 1.00 30.96 H new ATOM 1213 N LYS A 97 -6.110 -5.685 3.812 1.00 24.23 N ATOM 1214 CA LYS A 97 -7.019 -4.658 4.294 1.00 27.23 C ATOM 1215 C LYS A 97 -6.309 -3.323 4.466 1.00 29.52 C ATOM 1216 O LYS A 97 -5.406 -3.188 5.295 1.00 33.87 O ATOM 1217 CB LYS A 97 -7.642 -5.085 5.624 1.00 30.73 C ATOM 1218 CG LYS A 97 -8.596 -4.054 6.210 1.00 37.27 C ATOM 1219 CD LYS A 97 -8.614 -4.102 7.732 1.00 43.28 C ATOM 1220 CE LYS A 97 -7.488 -3.271 8.340 1.00 47.29 C ATOM 1221 NZ LYS A 97 -6.145 -3.839 8.047 1.00 53.53 N ATOM 0 H LYS A 97 -5.563 -6.143 4.541 1.00 24.23 H new ATOM 0 HA LYS A 97 -7.804 -4.534 3.548 1.00 27.23 H new ATOM 0 HB2 LYS A 97 -8.178 -6.023 5.480 1.00 30.73 H new ATOM 0 HB3 LYS A 97 -6.846 -5.280 6.342 1.00 30.73 H new ATOM 0 HG2 LYS A 97 -8.301 -3.057 5.881 1.00 37.27 H new ATOM 0 HG3 LYS A 97 -9.602 -4.231 5.829 1.00 37.27 H new ATOM 0 HD2 LYS A 97 -9.574 -3.735 8.096 1.00 43.28 H new ATOM 0 HD3 LYS A 97 -8.522 -5.136 8.064 1.00 43.28 H new ATOM 0 HE2 LYS A 97 -7.542 -2.253 7.954 1.00 47.29 H new ATOM 0 HE3 LYS A 97 -7.627 -3.210 9.419 1.00 47.29 H new ATOM 0 HZ1 LYS A 97 -5.461 -3.495 8.751 1.00 53.53 H new ATOM 0 HZ2 LYS A 97 -6.191 -4.877 8.088 1.00 53.53 H new ATOM 0 HZ3 LYS A 97 -5.843 -3.543 7.097 1.00 53.53 H new ATOM 1235 N PHE A 98 -6.731 -2.344 3.682 1.00 28.54 N ATOM 1236 CA PHE A 98 -6.171 -1.002 3.740 1.00 32.00 C ATOM 1237 C PHE A 98 -6.692 -0.303 4.992 1.00 41.30 C ATOM 1238 O PHE A 98 -7.784 -0.618 5.468 1.00 40.71 O ATOM 1239 CB PHE A 98 -6.571 -0.192 2.496 1.00 34.75 C ATOM 1240 CG PHE A 98 -5.996 -0.696 1.194 1.00 36.16 C ATOM 1241 CD1 PHE A 98 -6.190 -2.006 0.781 1.00 38.20 C ATOM 1242 CD2 PHE A 98 -5.275 0.154 0.372 1.00 39.29 C ATOM 1243 CE1 PHE A 98 -5.668 -2.458 -0.416 1.00 37.36 C ATOM 1244 CE2 PHE A 98 -4.754 -0.292 -0.827 1.00 37.59 C ATOM 1245 CZ PHE A 98 -4.952 -1.599 -1.223 1.00 41.72 C ATOM 0 H PHE A 98 -7.470 -2.456 2.988 1.00 28.54 H new ATOM 0 HA PHE A 98 -5.084 -1.071 3.771 1.00 32.00 H new ATOM 0 HB2 PHE A 98 -7.658 -0.188 2.418 1.00 34.75 H new ATOM 0 HB3 PHE A 98 -6.257 0.842 2.638 1.00 34.75 H new ATOM 0 HD1 PHE A 98 -6.757 -2.682 1.404 1.00 38.20 H new ATOM 0 HD2 PHE A 98 -5.118 1.179 0.673 1.00 39.29 H new ATOM 0 HE1 PHE A 98 -5.821 -3.483 -0.719 1.00 37.36 H new ATOM 0 HE2 PHE A 98 -4.191 0.383 -1.455 1.00 37.59 H new ATOM 0 HZ PHE A 98 -4.548 -1.948 -2.162 1.00 41.72 H new ATOM 1255 N LYS A 99 -5.922 0.628 5.530 1.00 39.61 N ATOM 1256 CA LYS A 99 -6.341 1.347 6.728 1.00 51.59 C ATOM 1257 C LYS A 99 -7.113 2.609 6.358 1.00 53.57 C ATOM 1258 O LYS A 99 -7.858 3.159 7.171 1.00 58.09 O ATOM 1259 CB LYS A 99 -5.132 1.693 7.600 1.00 54.03 C ATOM 1260 CG LYS A 99 -4.351 0.471 8.064 1.00 57.71 C ATOM 1261 CD LYS A 99 -3.279 0.840 9.081 1.00 58.04 C ATOM 1262 CE LYS A 99 -2.376 -0.345 9.394 1.00 58.77 C ATOM 1263 NZ LYS A 99 -1.375 -0.019 10.445 1.00 59.82 N ATOM 0 H LYS A 99 -5.011 0.904 5.163 1.00 39.61 H new ATOM 0 HA LYS A 99 -7.003 0.697 7.301 1.00 51.59 H new ATOM 0 HB2 LYS A 99 -4.466 2.350 7.040 1.00 54.03 H new ATOM 0 HB3 LYS A 99 -5.471 2.251 8.473 1.00 54.03 H new ATOM 0 HG2 LYS A 99 -5.036 -0.253 8.504 1.00 57.71 H new ATOM 0 HG3 LYS A 99 -3.886 -0.012 7.204 1.00 57.71 H new ATOM 0 HD2 LYS A 99 -2.679 1.664 8.696 1.00 58.04 H new ATOM 0 HD3 LYS A 99 -3.752 1.191 9.998 1.00 58.04 H new ATOM 0 HE2 LYS A 99 -2.984 -1.188 9.721 1.00 58.77 H new ATOM 0 HE3 LYS A 99 -1.860 -0.658 8.486 1.00 58.77 H new ATOM 0 HZ1 LYS A 99 -0.968 -0.899 10.821 1.00 59.82 H new ATOM 0 HZ2 LYS A 99 -0.619 0.565 10.035 1.00 59.82 H new ATOM 0 HZ3 LYS A 99 -1.838 0.505 11.215 1.00 59.82 H new ATOM 1277 N ALA A 100 -6.942 3.053 5.121 1.00 57.45 N ATOM 1278 CA ALA A 100 -7.623 4.242 4.635 1.00 59.65 C ATOM 1279 C ALA A 100 -8.473 3.903 3.417 1.00 62.53 C ATOM 1280 O ALA A 100 -8.129 3.008 2.645 1.00 66.68 O ATOM 1281 CB ALA A 100 -6.617 5.333 4.292 1.00 58.23 C ATOM 0 H ALA A 100 -6.335 2.605 4.434 1.00 57.45 H new ATOM 0 HA ALA A 100 -8.276 4.613 5.425 1.00 59.65 H new ATOM 0 HB1 ALA A 100 -7.146 6.215 3.930 1.00 58.23 H new ATOM 0 HB2 ALA A 100 -6.045 5.593 5.182 1.00 58.23 H new ATOM 0 HB3 ALA A 100 -5.940 4.973 3.518 1.00 58.23 H new ATOM 1287 N GLY A 101 -9.598 4.590 3.271 1.00 63.08 N ATOM 1288 CA GLY A 101 -10.476 4.357 2.136 1.00 61.32 C ATOM 1289 C GLY A 101 -11.348 3.123 2.302 1.00 61.66 C ATOM 1290 O GLY A 101 -12.232 2.877 1.484 1.00 64.05 O ATOM 0 H GLY A 101 -9.921 5.308 3.920 1.00 63.08 H new ATOM 0 HA2 GLY A 101 -11.114 5.229 1.992 1.00 61.32 H new ATOM 0 HA3 GLY A 101 -9.874 4.251 1.234 1.00 61.32 H new ATOM 1294 N SER A 102 -11.088 2.354 3.360 1.00 58.97 N ATOM 1295 CA SER A 102 -11.846 1.140 3.660 1.00 58.40 C ATOM 1296 C SER A 102 -11.795 0.130 2.510 1.00 54.28 C ATOM 1297 O SER A 102 -12.811 -0.449 2.130 1.00 53.70 O ATOM 1298 CB SER A 102 -13.295 1.498 3.994 1.00 61.16 C ATOM 1299 OG SER A 102 -13.348 2.522 4.975 1.00 65.44 O ATOM 0 H SER A 102 -10.347 2.555 4.032 1.00 58.97 H new ATOM 0 HA SER A 102 -11.382 0.666 4.525 1.00 58.40 H new ATOM 0 HB2 SER A 102 -13.811 1.826 3.091 1.00 61.16 H new ATOM 0 HB3 SER A 102 -13.819 0.613 4.357 1.00 61.16 H new ATOM 0 HG SER A 102 -14.283 2.737 5.173 1.00 65.44 H new ATOM 1305 N LYS A 103 -10.609 -0.087 1.966 1.00 42.18 N ATOM 1306 CA LYS A 103 -10.438 -1.031 0.869 1.00 39.27 C ATOM 1307 C LYS A 103 -9.900 -2.355 1.403 1.00 32.13 C ATOM 1308 O LYS A 103 -8.987 -2.365 2.226 1.00 30.46 O ATOM 1309 CB LYS A 103 -9.487 -0.449 -0.181 1.00 41.30 C ATOM 1310 CG LYS A 103 -9.331 -1.312 -1.423 1.00 45.61 C ATOM 1311 CD LYS A 103 -8.561 -0.582 -2.515 1.00 48.56 C ATOM 1312 CE LYS A 103 -9.400 0.512 -3.155 1.00 52.94 C ATOM 1313 NZ LYS A 103 -8.711 1.141 -4.313 1.00 56.96 N ATOM 0 H LYS A 103 -9.750 0.376 2.264 1.00 42.18 H new ATOM 0 HA LYS A 103 -11.404 -1.212 0.398 1.00 39.27 H new ATOM 0 HB2 LYS A 103 -9.850 0.535 -0.478 1.00 41.30 H new ATOM 0 HB3 LYS A 103 -8.507 -0.304 0.273 1.00 41.30 H new ATOM 0 HG2 LYS A 103 -8.811 -2.234 -1.164 1.00 45.61 H new ATOM 0 HG3 LYS A 103 -10.315 -1.595 -1.797 1.00 45.61 H new ATOM 0 HD2 LYS A 103 -7.655 -0.147 -2.093 1.00 48.56 H new ATOM 0 HD3 LYS A 103 -8.247 -1.294 -3.278 1.00 48.56 H new ATOM 0 HE2 LYS A 103 -10.351 0.093 -3.484 1.00 52.94 H new ATOM 0 HE3 LYS A 103 -9.628 1.275 -2.411 1.00 52.94 H new ATOM 0 HZ1 LYS A 103 -9.382 1.744 -4.831 1.00 56.96 H new ATOM 0 HZ2 LYS A 103 -7.917 1.720 -3.972 1.00 56.96 H new ATOM 0 HZ3 LYS A 103 -8.351 0.400 -4.947 1.00 56.96 H new ATOM 1327 N ARG A 104 -10.479 -3.465 0.962 1.00 31.79 N ATOM 1328 CA ARG A 104 -10.046 -4.786 1.415 1.00 29.38 C ATOM 1329 C ARG A 104 -9.981 -5.762 0.245 1.00 27.45 C ATOM 1330 O ARG A 104 -11.007 -6.115 -0.337 1.00 30.91 O ATOM 1331 CB ARG A 104 -10.995 -5.342 2.487 1.00 29.71 C ATOM 1332 CG ARG A 104 -11.290 -4.384 3.634 1.00 34.22 C ATOM 1333 CD ARG A 104 -12.611 -3.661 3.423 1.00 37.47 C ATOM 1334 NE ARG A 104 -12.971 -2.811 4.556 1.00 40.87 N ATOM 1335 CZ ARG A 104 -14.183 -2.287 4.732 1.00 41.17 C ATOM 1336 NH1 ARG A 104 -15.158 -2.543 3.864 1.00 43.44 N ATOM 1337 NH2 ARG A 104 -14.428 -1.520 5.783 1.00 45.95 N ATOM 0 H ARG A 104 -11.248 -3.480 0.292 1.00 31.79 H new ATOM 0 HA ARG A 104 -9.052 -4.674 1.847 1.00 29.38 H new ATOM 0 HB2 ARG A 104 -11.936 -5.619 2.012 1.00 29.71 H new ATOM 0 HB3 ARG A 104 -10.564 -6.256 2.896 1.00 29.71 H new ATOM 0 HG2 ARG A 104 -11.321 -4.936 4.573 1.00 34.22 H new ATOM 0 HG3 ARG A 104 -10.484 -3.656 3.719 1.00 34.22 H new ATOM 0 HD2 ARG A 104 -12.548 -3.052 2.521 1.00 37.47 H new ATOM 0 HD3 ARG A 104 -13.400 -4.394 3.258 1.00 37.47 H new ATOM 0 HE ARG A 104 -12.253 -2.607 5.252 1.00 40.87 H new ATOM 0 HH11 ARG A 104 -14.979 -3.143 3.059 1.00 43.44 H new ATOM 0 HH12 ARG A 104 -16.084 -2.139 4.004 1.00 43.44 H new ATOM 0 HH21 ARG A 104 -13.688 -1.330 6.459 1.00 45.95 H new ATOM 0 HH22 ARG A 104 -15.356 -1.119 5.917 1.00 45.95 H new ATOM 1351 N LEU A 105 -8.779 -6.195 -0.099 1.00 23.75 N ATOM 1352 CA LEU A 105 -8.590 -7.135 -1.199 1.00 24.35 C ATOM 1353 C LEU A 105 -8.302 -8.528 -0.653 1.00 24.13 C ATOM 1354 O LEU A 105 -7.819 -8.670 0.468 1.00 23.73 O ATOM 1355 CB LEU A 105 -7.440 -6.680 -2.103 1.00 25.87 C ATOM 1356 CG LEU A 105 -7.540 -5.243 -2.624 1.00 32.66 C ATOM 1357 CD1 LEU A 105 -6.324 -4.903 -3.474 1.00 35.05 C ATOM 1358 CD2 LEU A 105 -8.820 -5.053 -3.427 1.00 35.88 C ATOM 0 H LEU A 105 -7.917 -5.912 0.366 1.00 23.75 H new ATOM 0 HA LEU A 105 -9.506 -7.165 -1.789 1.00 24.35 H new ATOM 0 HB2 LEU A 105 -6.505 -6.784 -1.552 1.00 25.87 H new ATOM 0 HB3 LEU A 105 -7.384 -7.355 -2.957 1.00 25.87 H new ATOM 0 HG LEU A 105 -7.567 -4.567 -1.769 1.00 32.66 H new ATOM 0 HD11 LEU A 105 -6.409 -3.879 -3.837 1.00 35.05 H new ATOM 0 HD12 LEU A 105 -5.421 -5.001 -2.872 1.00 35.05 H new ATOM 0 HD13 LEU A 105 -6.271 -5.586 -4.322 1.00 35.05 H new ATOM 0 HD21 LEU A 105 -8.873 -4.026 -3.789 1.00 35.88 H new ATOM 0 HD22 LEU A 105 -8.822 -5.737 -4.275 1.00 35.88 H new ATOM 0 HD23 LEU A 105 -9.682 -5.259 -2.792 1.00 35.88 H new ATOM 1370 N PHE A 106 -8.598 -9.554 -1.438 1.00 21.94 N ATOM 1371 CA PHE A 106 -8.366 -10.928 -1.010 1.00 21.33 C ATOM 1372 C PHE A 106 -7.475 -11.660 -2.007 1.00 21.73 C ATOM 1373 O PHE A 106 -7.588 -11.460 -3.219 1.00 21.19 O ATOM 1374 CB PHE A 106 -9.693 -11.675 -0.849 1.00 22.93 C ATOM 1375 CG PHE A 106 -10.599 -11.095 0.198 1.00 22.29 C ATOM 1376 CD1 PHE A 106 -11.505 -10.097 -0.123 1.00 24.62 C ATOM 1377 CD2 PHE A 106 -10.545 -11.550 1.504 1.00 23.36 C ATOM 1378 CE1 PHE A 106 -12.341 -9.564 0.839 1.00 25.44 C ATOM 1379 CE2 PHE A 106 -11.375 -11.021 2.471 1.00 24.37 C ATOM 1380 CZ PHE A 106 -12.276 -10.026 2.139 1.00 26.43 C ATOM 0 H PHE A 106 -8.998 -9.463 -2.372 1.00 21.94 H new ATOM 0 HA PHE A 106 -7.860 -10.899 -0.045 1.00 21.33 H new ATOM 0 HB2 PHE A 106 -10.215 -11.677 -1.806 1.00 22.93 H new ATOM 0 HB3 PHE A 106 -9.484 -12.715 -0.598 1.00 22.93 H new ATOM 0 HD1 PHE A 106 -11.558 -9.731 -1.138 1.00 24.62 H new ATOM 0 HD2 PHE A 106 -9.845 -12.328 1.769 1.00 23.36 H new ATOM 0 HE1 PHE A 106 -13.044 -8.788 0.575 1.00 25.44 H new ATOM 0 HE2 PHE A 106 -11.321 -11.384 3.487 1.00 24.37 H new ATOM 0 HZ PHE A 106 -12.927 -9.611 2.894 1.00 26.43 H new ATOM 1390 N PHE A 107 -6.589 -12.502 -1.485 1.00 22.09 N ATOM 1391 CA PHE A 107 -5.662 -13.270 -2.310 1.00 20.70 C ATOM 1392 C PHE A 107 -5.477 -14.672 -1.734 1.00 23.14 C ATOM 1393 O PHE A 107 -5.632 -14.875 -0.534 1.00 23.83 O ATOM 1394 CB PHE A 107 -4.294 -12.573 -2.373 1.00 22.84 C ATOM 1395 CG PHE A 107 -4.297 -11.253 -3.096 1.00 24.08 C ATOM 1396 CD1 PHE A 107 -4.116 -11.200 -4.468 1.00 23.22 C ATOM 1397 CD2 PHE A 107 -4.472 -10.066 -2.400 1.00 23.74 C ATOM 1398 CE1 PHE A 107 -4.113 -9.988 -5.135 1.00 24.41 C ATOM 1399 CE2 PHE A 107 -4.469 -8.853 -3.062 1.00 23.14 C ATOM 1400 CZ PHE A 107 -4.289 -8.813 -4.431 1.00 23.57 C ATOM 0 H PHE A 107 -6.493 -12.671 -0.484 1.00 22.09 H new ATOM 0 HA PHE A 107 -6.081 -13.339 -3.314 1.00 20.70 H new ATOM 0 HB2 PHE A 107 -3.934 -12.415 -1.356 1.00 22.84 H new ATOM 0 HB3 PHE A 107 -3.584 -13.239 -2.863 1.00 22.84 H new ATOM 0 HD1 PHE A 107 -3.976 -12.115 -5.024 1.00 23.22 H new ATOM 0 HD2 PHE A 107 -4.612 -10.090 -1.329 1.00 23.74 H new ATOM 0 HE1 PHE A 107 -3.973 -9.961 -6.206 1.00 24.41 H new ATOM 0 HE2 PHE A 107 -4.607 -7.936 -2.509 1.00 23.14 H new ATOM 0 HZ PHE A 107 -4.286 -7.866 -4.949 1.00 23.57 H new ATOM 1410 N TRP A 108 -5.160 -15.636 -2.583 1.00 23.10 N ATOM 1411 CA TRP A 108 -4.931 -17.000 -2.125 1.00 21.46 C ATOM 1412 C TRP A 108 -3.614 -17.525 -2.683 1.00 22.39 C ATOM 1413 O TRP A 108 -3.382 -17.490 -3.894 1.00 23.19 O ATOM 1414 CB TRP A 108 -6.107 -17.926 -2.480 1.00 25.96 C ATOM 1415 CG TRP A 108 -6.515 -17.913 -3.928 1.00 24.14 C ATOM 1416 CD1 TRP A 108 -7.275 -16.973 -4.562 1.00 25.63 C ATOM 1417 CD2 TRP A 108 -6.202 -18.905 -4.912 1.00 26.30 C ATOM 1418 NE1 TRP A 108 -7.448 -17.317 -5.881 1.00 26.49 N ATOM 1419 CE2 TRP A 108 -6.799 -18.499 -6.120 1.00 25.85 C ATOM 1420 CE3 TRP A 108 -5.476 -20.098 -4.888 1.00 27.47 C ATOM 1421 CZ2 TRP A 108 -6.688 -19.242 -7.291 1.00 28.46 C ATOM 1422 CZ3 TRP A 108 -5.364 -20.833 -6.051 1.00 29.27 C ATOM 1423 CH2 TRP A 108 -5.968 -20.404 -7.239 1.00 28.29 C ATOM 0 H TRP A 108 -5.055 -15.502 -3.589 1.00 23.10 H new ATOM 0 HA TRP A 108 -4.863 -16.988 -1.037 1.00 21.46 H new ATOM 0 HB2 TRP A 108 -5.842 -18.946 -2.202 1.00 25.96 H new ATOM 0 HB3 TRP A 108 -6.968 -17.644 -1.874 1.00 25.96 H new ATOM 0 HD1 TRP A 108 -7.681 -16.088 -4.095 1.00 25.63 H new ATOM 0 HE1 TRP A 108 -7.974 -16.779 -6.570 1.00 26.49 H new ATOM 0 HE3 TRP A 108 -5.010 -20.439 -3.975 1.00 27.47 H new ATOM 0 HZ2 TRP A 108 -7.154 -18.913 -8.208 1.00 28.46 H new ATOM 0 HZ3 TRP A 108 -4.801 -21.755 -6.044 1.00 29.27 H new ATOM 0 HH2 TRP A 108 -5.863 -21.002 -8.132 1.00 28.29 H new ATOM 1434 N MET A 109 -2.753 -17.990 -1.784 1.00 22.47 N ATOM 1435 CA MET A 109 -1.431 -18.494 -2.151 1.00 22.63 C ATOM 1436 C MET A 109 -1.516 -19.729 -3.044 1.00 23.51 C ATOM 1437 O MET A 109 -2.228 -20.688 -2.738 1.00 25.87 O ATOM 1438 CB MET A 109 -0.618 -18.829 -0.895 1.00 22.83 C ATOM 1439 CG MET A 109 -0.353 -17.639 0.013 1.00 24.26 C ATOM 1440 SD MET A 109 0.851 -16.485 -0.674 1.00 28.54 S ATOM 1441 CE MET A 109 0.942 -15.284 0.651 1.00 27.29 C ATOM 0 H MET A 109 -2.949 -18.029 -0.784 1.00 22.47 H new ATOM 0 HA MET A 109 -0.933 -17.704 -2.713 1.00 22.63 H new ATOM 0 HB2 MET A 109 -1.147 -19.594 -0.327 1.00 22.83 H new ATOM 0 HB3 MET A 109 0.336 -19.260 -1.198 1.00 22.83 H new ATOM 0 HG2 MET A 109 -1.290 -17.113 0.196 1.00 24.26 H new ATOM 0 HG3 MET A 109 0.005 -17.998 0.978 1.00 24.26 H new ATOM 0 HE1 MET A 109 1.648 -14.498 0.382 1.00 27.29 H new ATOM 0 HE2 MET A 109 -0.043 -14.846 0.814 1.00 27.29 H new ATOM 0 HE3 MET A 109 1.276 -15.775 1.565 1.00 27.29 H new ATOM 1451 N GLN A 110 -0.780 -19.698 -4.149 1.00 23.09 N ATOM 1452 CA GLN A 110 -0.744 -20.816 -5.083 1.00 24.00 C ATOM 1453 C GLN A 110 0.485 -21.676 -4.821 1.00 32.58 C ATOM 1454 O GLN A 110 0.659 -22.739 -5.422 1.00 41.60 O ATOM 1455 CB GLN A 110 -0.728 -20.319 -6.529 1.00 22.67 C ATOM 1456 CG GLN A 110 -2.103 -19.965 -7.068 1.00 25.04 C ATOM 1457 CD GLN A 110 -2.078 -19.577 -8.535 1.00 22.04 C ATOM 1458 OE1 GLN A 110 -1.130 -18.952 -9.016 1.00 24.50 O ATOM 1459 NE2 GLN A 110 -3.114 -19.963 -9.263 1.00 24.22 N ATOM 0 H GLN A 110 -0.197 -18.906 -4.421 1.00 23.09 H new ATOM 0 HA GLN A 110 -1.643 -21.414 -4.933 1.00 24.00 H new ATOM 0 HB2 GLN A 110 -0.085 -19.442 -6.595 1.00 22.67 H new ATOM 0 HB3 GLN A 110 -0.286 -21.087 -7.163 1.00 22.67 H new ATOM 0 HG2 GLN A 110 -2.771 -20.816 -6.933 1.00 25.04 H new ATOM 0 HG3 GLN A 110 -2.515 -19.141 -6.486 1.00 25.04 H new ATOM 0 HE21 GLN A 110 -3.879 -20.479 -8.828 1.00 24.22 H new ATOM 0 HE22 GLN A 110 -3.147 -19.745 -10.259 1.00 24.22 H new ATOM 1468 N GLU A 111 1.341 -21.197 -3.928 1.00 34.19 N ATOM 1469 CA GLU A 111 2.553 -21.916 -3.563 1.00 41.70 C ATOM 1470 C GLU A 111 2.178 -23.260 -2.938 1.00 40.45 C ATOM 1471 O GLU A 111 1.294 -23.320 -2.081 1.00 39.75 O ATOM 1472 CB GLU A 111 3.386 -21.082 -2.589 1.00 41.38 C ATOM 1473 CG GLU A 111 3.521 -19.617 -2.994 1.00 49.79 C ATOM 1474 CD GLU A 111 4.788 -19.328 -3.778 1.00 48.44 C ATOM 1475 OE1 GLU A 111 5.874 -19.259 -3.155 1.00 43.83 O ATOM 1476 OE2 GLU A 111 4.706 -19.142 -5.009 1.00 32.00 O ATOM 0 H GLU A 111 1.217 -20.309 -3.441 1.00 34.19 H new ATOM 0 HA GLU A 111 3.152 -22.096 -4.456 1.00 41.70 H new ATOM 0 HB2 GLU A 111 2.933 -21.136 -1.599 1.00 41.38 H new ATOM 0 HB3 GLU A 111 4.381 -21.520 -2.508 1.00 41.38 H new ATOM 0 HG2 GLU A 111 2.657 -19.332 -3.594 1.00 49.79 H new ATOM 0 HG3 GLU A 111 3.506 -18.996 -2.098 1.00 49.79 H new ATOM 1483 N PRO A 112 2.837 -24.350 -3.362 1.00 48.55 N ATOM 1484 CA PRO A 112 2.546 -25.703 -2.867 1.00 46.93 C ATOM 1485 C PRO A 112 2.690 -25.855 -1.353 1.00 45.48 C ATOM 1486 O PRO A 112 1.736 -26.228 -0.670 1.00 48.59 O ATOM 1487 CB PRO A 112 3.572 -26.589 -3.590 1.00 49.91 C ATOM 1488 CG PRO A 112 4.617 -25.653 -4.098 1.00 50.19 C ATOM 1489 CD PRO A 112 3.917 -24.352 -4.360 1.00 49.44 C ATOM 0 HA PRO A 112 1.507 -25.967 -3.065 1.00 46.93 H new ATOM 0 HB2 PRO A 112 4.001 -27.326 -2.912 1.00 49.91 H new ATOM 0 HB3 PRO A 112 3.108 -27.140 -4.408 1.00 49.91 H new ATOM 0 HG2 PRO A 112 5.415 -25.526 -3.367 1.00 50.19 H new ATOM 0 HG3 PRO A 112 5.077 -26.039 -5.008 1.00 50.19 H new ATOM 0 HD2 PRO A 112 4.586 -23.501 -4.232 1.00 49.44 H new ATOM 0 HD3 PRO A 112 3.527 -24.301 -5.377 1.00 49.44 H new ATOM 1497 N LYS A 113 3.870 -25.561 -0.828 1.00 45.43 N ATOM 1498 CA LYS A 113 4.116 -25.707 0.601 1.00 45.69 C ATOM 1499 C LYS A 113 3.719 -24.458 1.379 1.00 44.46 C ATOM 1500 O LYS A 113 3.971 -23.332 0.946 1.00 42.11 O ATOM 1501 CB LYS A 113 5.586 -26.047 0.857 1.00 48.90 C ATOM 1502 CG LYS A 113 6.008 -27.375 0.250 1.00 48.99 C ATOM 1503 CD LYS A 113 7.375 -27.816 0.746 1.00 65.37 C ATOM 1504 CE LYS A 113 7.778 -29.142 0.125 1.00 71.52 C ATOM 1505 NZ LYS A 113 9.043 -29.665 0.702 1.00 69.62 N ATOM 0 H LYS A 113 4.668 -25.222 -1.365 1.00 45.43 H new ATOM 0 HA LYS A 113 3.492 -26.527 0.957 1.00 45.69 H new ATOM 0 HB2 LYS A 113 6.212 -25.253 0.449 1.00 48.90 H new ATOM 0 HB3 LYS A 113 5.764 -26.073 1.932 1.00 48.90 H new ATOM 0 HG2 LYS A 113 5.269 -28.138 0.496 1.00 48.99 H new ATOM 0 HG3 LYS A 113 6.027 -27.288 -0.836 1.00 48.99 H new ATOM 0 HD2 LYS A 113 8.117 -27.056 0.502 1.00 65.37 H new ATOM 0 HD3 LYS A 113 7.359 -27.909 1.832 1.00 65.37 H new ATOM 0 HE2 LYS A 113 6.982 -29.871 0.277 1.00 71.52 H new ATOM 0 HE3 LYS A 113 7.895 -29.018 -0.952 1.00 71.52 H new ATOM 0 HZ1 LYS A 113 9.282 -30.571 0.251 1.00 69.62 H new ATOM 0 HZ2 LYS A 113 9.809 -28.982 0.535 1.00 69.62 H new ATOM 0 HZ3 LYS A 113 8.925 -29.809 1.725 1.00 69.62 H new ATOM 1519 N THR A 114 3.125 -24.680 2.545 1.00 40.64 N ATOM 1520 CA THR A 114 2.668 -23.603 3.417 1.00 36.42 C ATOM 1521 C THR A 114 3.814 -23.049 4.258 1.00 31.64 C ATOM 1522 O THR A 114 3.644 -22.088 5.012 1.00 32.89 O ATOM 1523 CB THR A 114 1.566 -24.118 4.359 1.00 39.21 C ATOM 1524 OG1 THR A 114 1.808 -25.498 4.675 1.00 43.02 O ATOM 1525 CG2 THR A 114 0.198 -23.987 3.721 1.00 38.60 C ATOM 0 H THR A 114 2.946 -25.614 2.914 1.00 40.64 H new ATOM 0 HA THR A 114 2.278 -22.807 2.782 1.00 36.42 H new ATOM 0 HB THR A 114 1.586 -23.515 5.267 1.00 39.21 H new ATOM 0 HG1 THR A 114 1.106 -25.824 5.276 1.00 43.02 H new ATOM 0 HG21 THR A 114 -0.561 -24.358 4.409 1.00 38.60 H new ATOM 0 HG22 THR A 114 0.001 -22.939 3.494 1.00 38.60 H new ATOM 0 HG23 THR A 114 0.169 -24.569 2.800 1.00 38.60 H new ATOM 1533 N ASP A 115 4.982 -23.660 4.106 1.00 30.92 N ATOM 1534 CA ASP A 115 6.181 -23.274 4.848 1.00 38.80 C ATOM 1535 C ASP A 115 6.608 -21.843 4.553 1.00 35.23 C ATOM 1536 O ASP A 115 7.370 -21.250 5.314 1.00 36.70 O ATOM 1537 CB ASP A 115 7.334 -24.222 4.515 1.00 44.02 C ATOM 1538 CG ASP A 115 7.299 -25.496 5.332 1.00 54.03 C ATOM 1539 OD1 ASP A 115 6.218 -26.109 5.443 1.00 54.30 O ATOM 1540 OD2 ASP A 115 8.357 -25.892 5.864 1.00 66.15 O ATOM 0 H ASP A 115 5.128 -24.439 3.464 1.00 30.92 H new ATOM 0 HA ASP A 115 5.934 -23.339 5.908 1.00 38.80 H new ATOM 0 HB2 ASP A 115 7.297 -24.474 3.455 1.00 44.02 H new ATOM 0 HB3 ASP A 115 8.281 -23.710 4.688 1.00 44.02 H new ATOM 1545 N GLN A 116 6.115 -21.286 3.457 1.00 32.65 N ATOM 1546 CA GLN A 116 6.473 -19.927 3.074 1.00 32.85 C ATOM 1547 C GLN A 116 5.248 -19.023 2.968 1.00 25.51 C ATOM 1548 O GLN A 116 5.340 -17.914 2.442 1.00 27.64 O ATOM 1549 CB GLN A 116 7.233 -19.941 1.747 1.00 36.33 C ATOM 1550 CG GLN A 116 8.724 -20.196 1.910 1.00 43.53 C ATOM 1551 CD GLN A 116 9.428 -20.404 0.588 1.00 46.84 C ATOM 1552 OE1 GLN A 116 8.992 -19.903 -0.448 1.00 54.73 O ATOM 1553 NE2 GLN A 116 10.522 -21.142 0.615 1.00 50.07 N ATOM 0 H GLN A 116 5.469 -21.751 2.819 1.00 32.65 H new ATOM 0 HA GLN A 116 7.113 -19.521 3.857 1.00 32.85 H new ATOM 0 HB2 GLN A 116 6.808 -20.710 1.101 1.00 36.33 H new ATOM 0 HB3 GLN A 116 7.088 -18.985 1.243 1.00 36.33 H new ATOM 0 HG2 GLN A 116 9.178 -19.353 2.430 1.00 43.53 H new ATOM 0 HG3 GLN A 116 8.872 -21.075 2.538 1.00 43.53 H new ATOM 0 HE21 GLN A 116 10.848 -21.538 1.496 1.00 50.07 H new ATOM 0 HE22 GLN A 116 11.041 -21.316 -0.246 1.00 50.07 H new ATOM 1562 N ASP A 117 4.117 -19.478 3.487 1.00 25.38 N ATOM 1563 CA ASP A 117 2.886 -18.689 3.438 1.00 24.59 C ATOM 1564 C ASP A 117 3.042 -17.416 4.262 1.00 23.14 C ATOM 1565 O ASP A 117 2.957 -16.301 3.737 1.00 23.30 O ATOM 1566 CB ASP A 117 1.699 -19.502 3.960 1.00 24.94 C ATOM 1567 CG ASP A 117 0.705 -19.860 2.871 1.00 26.91 C ATOM 1568 OD1 ASP A 117 1.119 -19.983 1.700 1.00 27.07 O ATOM 1569 OD2 ASP A 117 -0.493 -20.037 3.184 1.00 29.31 O ATOM 0 H ASP A 117 4.022 -20.384 3.946 1.00 25.38 H new ATOM 0 HA ASP A 117 2.695 -18.422 2.399 1.00 24.59 H new ATOM 0 HB2 ASP A 117 2.067 -20.417 4.424 1.00 24.94 H new ATOM 0 HB3 ASP A 117 1.189 -18.933 4.738 1.00 24.94 H new ATOM 1574 N GLU A 118 3.312 -17.592 5.551 1.00 27.03 N ATOM 1575 CA GLU A 118 3.497 -16.470 6.460 1.00 26.55 C ATOM 1576 C GLU A 118 4.737 -15.677 6.073 1.00 23.71 C ATOM 1577 O GLU A 118 4.777 -14.456 6.226 1.00 25.11 O ATOM 1578 CB GLU A 118 3.619 -16.969 7.899 1.00 32.75 C ATOM 1579 CG GLU A 118 2.297 -17.408 8.501 1.00 36.67 C ATOM 1580 CD GLU A 118 1.449 -16.238 8.956 1.00 51.49 C ATOM 1581 OE1 GLU A 118 1.636 -15.775 10.101 1.00 61.12 O ATOM 1582 OE2 GLU A 118 0.583 -15.781 8.180 1.00 49.04 O ATOM 0 H GLU A 118 3.408 -18.507 5.990 1.00 27.03 H new ATOM 0 HA GLU A 118 2.627 -15.817 6.388 1.00 26.55 H new ATOM 0 HB2 GLU A 118 4.318 -17.805 7.927 1.00 32.75 H new ATOM 0 HB3 GLU A 118 4.045 -16.177 8.515 1.00 32.75 H new ATOM 0 HG2 GLU A 118 1.742 -17.990 7.765 1.00 36.67 H new ATOM 0 HG3 GLU A 118 2.488 -18.065 9.349 1.00 36.67 H new ATOM 1589 N GLU A 119 5.741 -16.384 5.564 1.00 24.14 N ATOM 1590 CA GLU A 119 6.985 -15.760 5.130 1.00 26.98 C ATOM 1591 C GLU A 119 6.696 -14.711 4.063 1.00 25.13 C ATOM 1592 O GLU A 119 7.188 -13.584 4.135 1.00 27.83 O ATOM 1593 CB GLU A 119 7.948 -16.820 4.587 1.00 28.20 C ATOM 1594 CG GLU A 119 9.335 -16.285 4.266 1.00 27.24 C ATOM 1595 CD GLU A 119 9.981 -15.587 5.447 1.00 28.47 C ATOM 1596 OE1 GLU A 119 9.796 -16.046 6.591 1.00 27.86 O ATOM 1597 OE2 GLU A 119 10.678 -14.577 5.235 1.00 30.36 O ATOM 0 H GLU A 119 5.716 -17.396 5.442 1.00 24.14 H new ATOM 0 HA GLU A 119 7.453 -15.272 5.985 1.00 26.98 H new ATOM 0 HB2 GLU A 119 8.039 -17.623 5.319 1.00 28.20 H new ATOM 0 HB3 GLU A 119 7.520 -17.258 3.685 1.00 28.20 H new ATOM 0 HG2 GLU A 119 9.972 -17.109 3.943 1.00 27.24 H new ATOM 0 HG3 GLU A 119 9.267 -15.588 3.430 1.00 27.24 H new ATOM 1604 N HIS A 120 5.870 -15.083 3.090 1.00 21.73 N ATOM 1605 CA HIS A 120 5.499 -14.175 2.014 1.00 22.27 C ATOM 1606 C HIS A 120 4.744 -12.984 2.583 1.00 22.52 C ATOM 1607 O HIS A 120 4.997 -11.841 2.211 1.00 24.30 O ATOM 1608 CB HIS A 120 4.629 -14.885 0.970 1.00 22.36 C ATOM 1609 CG HIS A 120 5.353 -15.924 0.166 1.00 23.53 C ATOM 1610 ND1 HIS A 120 6.725 -15.971 0.049 1.00 29.14 N ATOM 1611 CD2 HIS A 120 4.882 -16.961 -0.569 1.00 27.13 C ATOM 1612 CE1 HIS A 120 7.066 -16.986 -0.719 1.00 30.02 C ATOM 1613 NE2 HIS A 120 5.969 -17.605 -1.109 1.00 30.38 N ATOM 0 H HIS A 120 5.445 -16.008 3.026 1.00 21.73 H new ATOM 0 HA HIS A 120 6.412 -13.833 1.526 1.00 22.27 H new ATOM 0 HB2 HIS A 120 3.786 -15.356 1.476 1.00 22.36 H new ATOM 0 HB3 HIS A 120 4.216 -14.139 0.291 1.00 22.36 H new ATOM 0 HD2 HIS A 120 3.845 -17.231 -0.705 1.00 27.13 H new ATOM 0 HE1 HIS A 120 8.075 -17.264 -0.985 1.00 30.02 H new ATOM 0 HE2 HIS A 120 5.933 -18.427 -1.712 1.00 30.38 H new ATOM 1622 N CYS A 121 3.834 -13.263 3.512 1.00 21.37 N ATOM 1623 CA CYS A 121 3.035 -12.221 4.142 1.00 22.64 C ATOM 1624 C CYS A 121 3.922 -11.217 4.873 1.00 24.68 C ATOM 1625 O CYS A 121 3.707 -10.007 4.783 1.00 24.70 O ATOM 1626 CB CYS A 121 2.036 -12.839 5.120 1.00 26.11 C ATOM 1627 SG CYS A 121 1.063 -11.629 6.051 1.00 28.52 S ATOM 0 H CYS A 121 3.632 -14.206 3.845 1.00 21.37 H new ATOM 0 HA CYS A 121 2.491 -11.694 3.358 1.00 22.64 H new ATOM 0 HB2 CYS A 121 1.356 -13.487 4.567 1.00 26.11 H new ATOM 0 HB3 CYS A 121 2.577 -13.472 5.823 1.00 26.11 H new ATOM 0 HG CYS A 121 0.099 -11.179 5.303 1.00 28.52 H new ATOM 1633 N ARG A 122 4.914 -11.727 5.591 1.00 25.35 N ATOM 1634 CA ARG A 122 5.833 -10.878 6.339 1.00 25.95 C ATOM 1635 C ARG A 122 6.628 -9.977 5.407 1.00 23.36 C ATOM 1636 O ARG A 122 6.749 -8.777 5.648 1.00 26.33 O ATOM 1637 CB ARG A 122 6.785 -11.728 7.178 1.00 27.25 C ATOM 1638 CG ARG A 122 6.131 -12.323 8.414 1.00 37.10 C ATOM 1639 CD ARG A 122 7.145 -13.030 9.297 1.00 28.22 C ATOM 1640 NE ARG A 122 7.706 -14.222 8.660 1.00 35.74 N ATOM 1641 CZ ARG A 122 7.295 -15.466 8.905 1.00 30.48 C ATOM 1642 NH1 ARG A 122 6.294 -15.686 9.746 1.00 31.71 N ATOM 1643 NH2 ARG A 122 7.889 -16.492 8.310 1.00 40.70 N ATOM 0 H ARG A 122 5.103 -12.726 5.672 1.00 25.35 H new ATOM 0 HA ARG A 122 5.240 -10.249 7.003 1.00 25.95 H new ATOM 0 HB2 ARG A 122 7.180 -12.535 6.561 1.00 27.25 H new ATOM 0 HB3 ARG A 122 7.634 -11.116 7.484 1.00 27.25 H new ATOM 0 HG2 ARG A 122 5.640 -11.533 8.983 1.00 37.10 H new ATOM 0 HG3 ARG A 122 5.356 -13.028 8.113 1.00 37.10 H new ATOM 0 HD2 ARG A 122 7.952 -12.340 9.543 1.00 28.22 H new ATOM 0 HD3 ARG A 122 6.670 -13.313 10.236 1.00 28.22 H new ATOM 0 HE ARG A 122 8.460 -14.093 7.985 1.00 35.74 H new ATOM 0 HH11 ARG A 122 5.835 -14.901 10.209 1.00 31.71 H new ATOM 0 HH12 ARG A 122 5.983 -16.640 9.930 1.00 31.71 H new ATOM 0 HH21 ARG A 122 8.661 -16.330 7.664 1.00 40.70 H new ATOM 0 HH22 ARG A 122 7.573 -17.443 8.499 1.00 40.70 H new ATOM 1657 N LYS A 123 7.159 -10.562 4.340 1.00 22.81 N ATOM 1658 CA LYS A 123 7.940 -9.813 3.361 1.00 24.60 C ATOM 1659 C LYS A 123 7.092 -8.714 2.727 1.00 24.94 C ATOM 1660 O LYS A 123 7.549 -7.585 2.545 1.00 25.77 O ATOM 1661 CB LYS A 123 8.473 -10.753 2.279 1.00 27.36 C ATOM 1662 CG LYS A 123 9.467 -11.782 2.793 1.00 28.78 C ATOM 1663 CD LYS A 123 10.817 -11.640 2.108 1.00 35.71 C ATOM 1664 CE LYS A 123 11.792 -12.718 2.556 1.00 44.84 C ATOM 1665 NZ LYS A 123 12.032 -12.680 4.022 1.00 55.57 N ATOM 0 H LYS A 123 7.063 -11.555 4.130 1.00 22.81 H new ATOM 0 HA LYS A 123 8.783 -9.350 3.874 1.00 24.60 H new ATOM 0 HB2 LYS A 123 7.634 -11.272 1.817 1.00 27.36 H new ATOM 0 HB3 LYS A 123 8.950 -10.160 1.499 1.00 27.36 H new ATOM 0 HG2 LYS A 123 9.590 -11.665 3.870 1.00 28.78 H new ATOM 0 HG3 LYS A 123 9.075 -12.785 2.624 1.00 28.78 H new ATOM 0 HD2 LYS A 123 10.684 -11.696 1.028 1.00 35.71 H new ATOM 0 HD3 LYS A 123 11.235 -10.658 2.328 1.00 35.71 H new ATOM 0 HE2 LYS A 123 11.402 -13.697 2.278 1.00 44.84 H new ATOM 0 HE3 LYS A 123 12.739 -12.591 2.031 1.00 44.84 H new ATOM 0 HZ1 LYS A 123 12.945 -13.129 4.236 1.00 55.57 H new ATOM 0 HZ2 LYS A 123 12.048 -11.692 4.346 1.00 55.57 H new ATOM 0 HZ3 LYS A 123 11.271 -13.193 4.512 1.00 55.57 H new ATOM 1679 N VAL A 124 5.850 -9.051 2.405 1.00 23.64 N ATOM 1680 CA VAL A 124 4.928 -8.099 1.802 1.00 22.10 C ATOM 1681 C VAL A 124 4.619 -6.960 2.772 1.00 22.85 C ATOM 1682 O VAL A 124 4.719 -5.788 2.416 1.00 24.21 O ATOM 1683 CB VAL A 124 3.610 -8.787 1.374 1.00 22.81 C ATOM 1684 CG1 VAL A 124 2.562 -7.764 0.951 1.00 23.59 C ATOM 1685 CG2 VAL A 124 3.866 -9.775 0.246 1.00 24.46 C ATOM 0 H VAL A 124 5.457 -9.981 2.552 1.00 23.64 H new ATOM 0 HA VAL A 124 5.412 -7.693 0.914 1.00 22.10 H new ATOM 0 HB VAL A 124 3.223 -9.329 2.237 1.00 22.81 H new ATOM 0 HG11 VAL A 124 1.648 -8.280 0.656 1.00 23.59 H new ATOM 0 HG12 VAL A 124 2.348 -7.096 1.785 1.00 23.59 H new ATOM 0 HG13 VAL A 124 2.939 -7.184 0.109 1.00 23.59 H new ATOM 0 HG21 VAL A 124 2.928 -10.249 -0.042 1.00 24.46 H new ATOM 0 HG22 VAL A 124 4.284 -9.248 -0.611 1.00 24.46 H new ATOM 0 HG23 VAL A 124 4.569 -10.537 0.582 1.00 24.46 H new ATOM 1695 N ASN A 125 4.274 -7.317 4.006 1.00 23.90 N ATOM 1696 CA ASN A 125 3.939 -6.329 5.033 1.00 25.34 C ATOM 1697 C ASN A 125 5.095 -5.359 5.268 1.00 27.59 C ATOM 1698 O ASN A 125 4.878 -4.167 5.484 1.00 26.42 O ATOM 1699 CB ASN A 125 3.569 -7.026 6.346 1.00 25.30 C ATOM 1700 CG ASN A 125 2.680 -6.169 7.231 1.00 26.31 C ATOM 1701 OD1 ASN A 125 1.453 -6.206 7.121 1.00 30.74 O ATOM 1702 ND2 ASN A 125 3.290 -5.396 8.118 1.00 26.69 N ATOM 0 H ASN A 125 4.218 -8.285 4.322 1.00 23.90 H new ATOM 0 HA ASN A 125 3.081 -5.759 4.676 1.00 25.34 H new ATOM 0 HB2 ASN A 125 3.059 -7.964 6.124 1.00 25.30 H new ATOM 0 HB3 ASN A 125 4.480 -7.279 6.888 1.00 25.30 H new ATOM 0 HD21 ASN A 125 2.741 -4.803 8.741 1.00 26.69 H new ATOM 0 HD22 ASN A 125 4.308 -5.394 8.178 1.00 26.69 H new ATOM 1709 N GLU A 126 6.319 -5.880 5.222 1.00 26.42 N ATOM 1710 CA GLU A 126 7.510 -5.063 5.424 1.00 28.43 C ATOM 1711 C GLU A 126 7.669 -4.044 4.301 1.00 31.22 C ATOM 1712 O GLU A 126 7.947 -2.870 4.547 1.00 33.04 O ATOM 1713 CB GLU A 126 8.757 -5.944 5.503 1.00 30.84 C ATOM 1714 CG GLU A 126 8.892 -6.700 6.813 1.00 32.00 C ATOM 1715 CD GLU A 126 10.196 -7.465 6.911 1.00 38.76 C ATOM 1716 OE1 GLU A 126 11.271 -6.824 6.922 1.00 44.64 O ATOM 1717 OE2 GLU A 126 10.161 -8.710 6.983 1.00 35.92 O ATOM 0 H GLU A 126 6.511 -6.866 5.046 1.00 26.42 H new ATOM 0 HA GLU A 126 7.392 -4.527 6.366 1.00 28.43 H new ATOM 0 HB2 GLU A 126 8.737 -6.660 4.682 1.00 30.84 H new ATOM 0 HB3 GLU A 126 9.640 -5.321 5.361 1.00 30.84 H new ATOM 0 HG2 GLU A 126 8.824 -5.997 7.643 1.00 32.00 H new ATOM 0 HG3 GLU A 126 8.058 -7.395 6.915 1.00 32.00 H new ATOM 1724 N CYS A 127 7.465 -4.494 3.068 1.00 27.47 N ATOM 1725 CA CYS A 127 7.595 -3.625 1.904 1.00 28.50 C ATOM 1726 C CYS A 127 6.493 -2.567 1.881 1.00 30.91 C ATOM 1727 O CYS A 127 6.688 -1.468 1.365 1.00 35.43 O ATOM 1728 CB CYS A 127 7.555 -4.452 0.618 1.00 31.38 C ATOM 1729 SG CYS A 127 8.819 -5.740 0.537 1.00 46.40 S ATOM 0 H CYS A 127 7.209 -5.457 2.848 1.00 27.47 H new ATOM 0 HA CYS A 127 8.556 -3.115 1.970 1.00 28.50 H new ATOM 0 HB2 CYS A 127 6.572 -4.915 0.525 1.00 31.38 H new ATOM 0 HB3 CYS A 127 7.675 -3.785 -0.235 1.00 31.38 H new ATOM 0 HG CYS A 127 8.575 -6.645 1.438 1.00 46.40 H new ATOM 1735 N LEU A 128 5.341 -2.895 2.454 1.00 26.38 N ATOM 1736 CA LEU A 128 4.220 -1.962 2.485 1.00 27.69 C ATOM 1737 C LEU A 128 4.292 -1.072 3.725 1.00 35.20 C ATOM 1738 O LEU A 128 3.332 -0.379 4.060 1.00 35.19 O ATOM 1739 CB LEU A 128 2.879 -2.712 2.459 1.00 27.68 C ATOM 1740 CG LEU A 128 2.751 -3.815 1.399 1.00 27.47 C ATOM 1741 CD1 LEU A 128 1.340 -4.380 1.388 1.00 27.78 C ATOM 1742 CD2 LEU A 128 3.120 -3.299 0.016 1.00 27.78 C ATOM 0 H LEU A 128 5.159 -3.794 2.901 1.00 26.38 H new ATOM 0 HA LEU A 128 4.286 -1.335 1.596 1.00 27.69 H new ATOM 0 HB2 LEU A 128 2.714 -3.156 3.440 1.00 27.68 H new ATOM 0 HB3 LEU A 128 2.081 -1.986 2.299 1.00 27.68 H new ATOM 0 HG LEU A 128 3.449 -4.610 1.661 1.00 27.47 H new ATOM 0 HD11 LEU A 128 1.267 -5.161 0.631 1.00 27.78 H new ATOM 0 HD12 LEU A 128 1.109 -4.801 2.367 1.00 27.78 H new ATOM 0 HD13 LEU A 128 0.631 -3.584 1.159 1.00 27.78 H new ATOM 0 HD21 LEU A 128 3.019 -4.104 -0.712 1.00 27.78 H new ATOM 0 HD22 LEU A 128 2.455 -2.479 -0.256 1.00 27.78 H new ATOM 0 HD23 LEU A 128 4.150 -2.944 0.023 1.00 27.78 H new ATOM 1754 N ASN A 129 5.431 -1.097 4.404 1.00 31.80 N ATOM 1755 CA ASN A 129 5.624 -0.287 5.601 1.00 41.40 C ATOM 1756 C ASN A 129 6.935 0.487 5.531 1.00 46.78 C ATOM 1757 O ASN A 129 7.031 1.604 6.035 1.00 58.88 O ATOM 1758 CB ASN A 129 5.597 -1.157 6.862 1.00 39.28 C ATOM 1759 CG ASN A 129 4.231 -1.179 7.525 1.00 45.62 C ATOM 1760 OD1 ASN A 129 3.901 -0.307 8.333 1.00 53.22 O ATOM 1761 ND2 ASN A 129 3.425 -2.178 7.196 1.00 37.18 N ATOM 0 H ASN A 129 6.236 -1.669 4.147 1.00 31.80 H new ATOM 0 HA ASN A 129 4.801 0.426 5.652 1.00 41.40 H new ATOM 0 HB2 ASN A 129 5.888 -2.175 6.603 1.00 39.28 H new ATOM 0 HB3 ASN A 129 6.336 -0.785 7.572 1.00 39.28 H new ATOM 0 HD21 ASN A 129 2.497 -2.244 7.615 1.00 37.18 H new ATOM 0 HD22 ASN A 129 3.732 -2.881 6.524 1.00 37.18 H new ATOM 1768 N ASN A 130 7.943 -0.109 4.910 1.00 54.30 N ATOM 1769 CA ASN A 130 9.244 0.539 4.772 1.00 56.86 C ATOM 1770 C ASN A 130 9.795 0.346 3.364 1.00 60.77 C ATOM 1771 O ASN A 130 9.641 -0.725 2.773 1.00 59.36 O ATOM 1772 CB ASN A 130 10.232 -0.023 5.798 1.00 60.10 C ATOM 1773 CG ASN A 130 11.603 0.630 5.707 1.00 66.88 C ATOM 1774 OD1 ASN A 130 12.453 0.211 4.921 1.00 72.02 O ATOM 1775 ND2 ASN A 130 11.831 1.656 6.511 1.00 69.88 N ATOM 0 H ASN A 130 7.887 -1.039 4.494 1.00 54.30 H new ATOM 0 HA ASN A 130 9.112 1.606 4.953 1.00 56.86 H new ATOM 0 HB2 ASN A 130 9.830 0.122 6.801 1.00 60.10 H new ATOM 0 HB3 ASN A 130 10.335 -1.098 5.648 1.00 60.10 H new ATOM 0 HD21 ASN A 130 12.735 2.127 6.492 1.00 69.88 H new ATOM 0 HD22 ASN A 130 11.102 1.975 7.149 1.00 69.88 H new TER 1782 ASN A 130 ATOM 1783 N MET B 1 -16.287 20.805 8.372 1.00 9.67 N ATOM 1784 CA MET B 1 -16.217 19.442 8.942 1.00 10.38 C ATOM 1785 C MET B 1 -14.819 19.150 9.470 1.00 9.62 C ATOM 1786 O MET B 1 -13.844 19.772 9.050 1.00 9.62 O ATOM 1787 CB MET B 1 -16.602 18.400 7.886 1.00 13.77 C ATOM 1788 CG MET B 1 -15.673 18.371 6.683 1.00 16.29 C ATOM 1789 SD MET B 1 -16.278 17.299 5.367 1.00 17.17 S ATOM 1790 CE MET B 1 -14.914 17.386 4.209 1.00 16.11 C ATOM 0 H1 MET B 1 -17.051 20.848 7.668 1.00 9.67 H new ATOM 0 H2 MET B 1 -16.478 21.490 9.131 1.00 9.67 H new ATOM 0 H3 MET B 1 -15.382 21.037 7.916 1.00 9.67 H new ATOM 0 HA MET B 1 -16.923 19.385 9.771 1.00 10.38 H new ATOM 0 HB2 MET B 1 -16.611 17.413 8.349 1.00 13.77 H new ATOM 0 HB3 MET B 1 -17.617 18.601 7.544 1.00 13.77 H new ATOM 0 HG2 MET B 1 -15.553 19.383 6.296 1.00 16.29 H new ATOM 0 HG3 MET B 1 -14.686 18.032 6.998 1.00 16.29 H new ATOM 0 HE1 MET B 1 -15.234 17.003 3.240 1.00 16.11 H new ATOM 0 HE2 MET B 1 -14.594 18.422 4.101 1.00 16.11 H new ATOM 0 HE3 MET B 1 -14.083 16.786 4.580 1.00 16.11 H new ATOM 1802 N GLN B 2 -14.726 18.213 10.400 1.00 9.27 N ATOM 1803 CA GLN B 2 -13.444 17.833 10.977 1.00 9.07 C ATOM 1804 C GLN B 2 -12.911 16.577 10.302 1.00 8.72 C ATOM 1805 O GLN B 2 -13.645 15.603 10.123 1.00 8.22 O ATOM 1806 CB GLN B 2 -13.590 17.575 12.477 1.00 14.46 C ATOM 1807 CG GLN B 2 -13.988 18.801 13.284 1.00 17.01 C ATOM 1808 CD GLN B 2 -12.827 19.744 13.539 1.00 20.10 C ATOM 1809 OE1 GLN B 2 -11.668 19.333 13.570 1.00 21.89 O ATOM 1810 NE2 GLN B 2 -13.134 21.015 13.738 1.00 19.49 N ATOM 0 H GLN B 2 -15.525 17.700 10.773 1.00 9.27 H new ATOM 0 HA GLN B 2 -12.744 18.653 10.819 1.00 9.07 H new ATOM 0 HB2 GLN B 2 -14.336 16.795 12.629 1.00 14.46 H new ATOM 0 HB3 GLN B 2 -12.645 17.191 12.862 1.00 14.46 H new ATOM 0 HG2 GLN B 2 -14.776 19.338 12.755 1.00 17.01 H new ATOM 0 HG3 GLN B 2 -14.406 18.481 14.239 1.00 17.01 H new ATOM 0 HE21 GLN B 2 -14.108 21.316 13.704 1.00 19.49 H new ATOM 0 HE22 GLN B 2 -12.397 21.694 13.925 1.00 19.49 H new ATOM 1819 N ILE B 3 -11.647 16.605 9.910 1.00 5.87 N ATOM 1820 CA ILE B 3 -11.019 15.452 9.274 1.00 5.07 C ATOM 1821 C ILE B 3 -9.846 14.970 10.116 1.00 4.01 C ATOM 1822 O ILE B 3 -9.297 15.728 10.916 1.00 4.61 O ATOM 1823 CB ILE B 3 -10.529 15.755 7.840 1.00 6.55 C ATOM 1824 CG1 ILE B 3 -9.478 16.868 7.846 1.00 4.72 C ATOM 1825 CG2 ILE B 3 -11.704 16.127 6.946 1.00 5.58 C ATOM 1826 CD1 ILE B 3 -8.681 16.961 6.561 1.00 10.83 C ATOM 0 H ILE B 3 -11.034 17.413 10.020 1.00 5.87 H new ATOM 0 HA ILE B 3 -11.781 14.676 9.203 1.00 5.07 H new ATOM 0 HB ILE B 3 -10.062 14.855 7.440 1.00 6.55 H new ATOM 0 HG12 ILE B 3 -9.973 17.822 8.026 1.00 4.72 H new ATOM 0 HG13 ILE B 3 -8.792 16.703 8.677 1.00 4.72 H new ATOM 0 HG21 ILE B 3 -11.343 16.338 5.939 1.00 5.58 H new ATOM 0 HG22 ILE B 3 -12.412 15.299 6.912 1.00 5.58 H new ATOM 0 HG23 ILE B 3 -12.200 17.011 7.346 1.00 5.58 H new ATOM 0 HD11 ILE B 3 -7.957 17.772 6.640 1.00 10.83 H new ATOM 0 HD12 ILE B 3 -8.156 16.021 6.389 1.00 10.83 H new ATOM 0 HD13 ILE B 3 -9.356 17.157 5.728 1.00 10.83 H new ATOM 1838 N PHE B 4 -9.465 13.715 9.932 1.00 4.55 N ATOM 1839 CA PHE B 4 -8.368 13.135 10.689 1.00 4.68 C ATOM 1840 C PHE B 4 -7.249 12.681 9.762 1.00 5.30 C ATOM 1841 O PHE B 4 -7.383 11.689 9.050 1.00 5.58 O ATOM 1842 CB PHE B 4 -8.872 11.953 11.522 1.00 4.83 C ATOM 1843 CG PHE B 4 -9.674 12.360 12.724 1.00 7.97 C ATOM 1844 CD1 PHE B 4 -11.043 12.552 12.629 1.00 8.34 C ATOM 1845 CD2 PHE B 4 -9.058 12.553 13.948 1.00 6.69 C ATOM 1846 CE1 PHE B 4 -11.781 12.926 13.733 1.00 10.61 C ATOM 1847 CE2 PHE B 4 -9.791 12.928 15.056 1.00 9.10 C ATOM 1848 CZ PHE B 4 -11.154 13.116 14.948 1.00 8.90 C ATOM 0 H PHE B 4 -9.900 13.079 9.264 1.00 4.55 H new ATOM 0 HA PHE B 4 -7.971 13.900 11.356 1.00 4.68 H new ATOM 0 HB2 PHE B 4 -9.483 11.309 10.890 1.00 4.83 H new ATOM 0 HB3 PHE B 4 -8.018 11.361 11.850 1.00 4.83 H new ATOM 0 HD1 PHE B 4 -11.538 12.407 11.680 1.00 8.34 H new ATOM 0 HD2 PHE B 4 -7.991 12.409 14.037 1.00 6.69 H new ATOM 0 HE1 PHE B 4 -12.848 13.070 13.647 1.00 10.61 H new ATOM 0 HE2 PHE B 4 -9.299 13.074 16.006 1.00 9.10 H new ATOM 0 HZ PHE B 4 -11.729 13.411 15.813 1.00 8.90 H new ATOM 1858 N VAL B 5 -6.152 13.420 9.766 1.00 4.44 N ATOM 1859 CA VAL B 5 -5.006 13.092 8.932 1.00 3.87 C ATOM 1860 C VAL B 5 -3.976 12.308 9.738 1.00 4.93 C ATOM 1861 O VAL B 5 -3.283 12.867 10.588 1.00 6.84 O ATOM 1862 CB VAL B 5 -4.342 14.360 8.357 1.00 2.99 C ATOM 1863 CG1 VAL B 5 -3.378 14.004 7.235 1.00 5.28 C ATOM 1864 CG2 VAL B 5 -5.392 15.347 7.868 1.00 9.13 C ATOM 0 H VAL B 5 -6.030 14.254 10.340 1.00 4.44 H new ATOM 0 HA VAL B 5 -5.368 12.485 8.102 1.00 3.87 H new ATOM 0 HB VAL B 5 -3.774 14.835 9.157 1.00 2.99 H new ATOM 0 HG11 VAL B 5 -2.922 14.914 6.845 1.00 5.28 H new ATOM 0 HG12 VAL B 5 -2.600 13.344 7.619 1.00 5.28 H new ATOM 0 HG13 VAL B 5 -3.920 13.499 6.436 1.00 5.28 H new ATOM 0 HG21 VAL B 5 -4.900 16.233 7.467 1.00 9.13 H new ATOM 0 HG22 VAL B 5 -5.993 14.881 7.087 1.00 9.13 H new ATOM 0 HG23 VAL B 5 -6.036 15.635 8.699 1.00 9.13 H new ATOM 1874 N LYS B 6 -3.884 11.013 9.475 1.00 6.04 N ATOM 1875 CA LYS B 6 -2.947 10.160 10.189 1.00 6.12 C ATOM 1876 C LYS B 6 -1.635 10.040 9.421 1.00 6.57 C ATOM 1877 O LYS B 6 -1.605 9.566 8.283 1.00 5.76 O ATOM 1878 CB LYS B 6 -3.558 8.774 10.423 1.00 7.45 C ATOM 1879 CG LYS B 6 -3.003 8.056 11.646 1.00 11.12 C ATOM 1880 CD LYS B 6 -3.840 6.835 12.002 1.00 14.54 C ATOM 1881 CE LYS B 6 -3.357 6.169 13.282 1.00 18.84 C ATOM 1882 NZ LYS B 6 -3.511 7.052 14.469 1.00 20.55 N ATOM 0 H LYS B 6 -4.446 10.531 8.773 1.00 6.04 H new ATOM 0 HA LYS B 6 -2.737 10.616 11.157 1.00 6.12 H new ATOM 0 HB2 LYS B 6 -4.638 8.877 10.533 1.00 7.45 H new ATOM 0 HB3 LYS B 6 -3.384 8.157 9.541 1.00 7.45 H new ATOM 0 HG2 LYS B 6 -1.974 7.750 11.454 1.00 11.12 H new ATOM 0 HG3 LYS B 6 -2.979 8.742 12.493 1.00 11.12 H new ATOM 0 HD2 LYS B 6 -4.883 7.131 12.118 1.00 14.54 H new ATOM 0 HD3 LYS B 6 -3.802 6.117 11.183 1.00 14.54 H new ATOM 0 HE2 LYS B 6 -3.916 5.247 13.443 1.00 18.84 H new ATOM 0 HE3 LYS B 6 -2.309 5.891 13.172 1.00 18.84 H new ATOM 0 HZ1 LYS B 6 -2.572 7.302 14.840 1.00 20.55 H new ATOM 0 HZ2 LYS B 6 -4.017 7.918 14.194 1.00 20.55 H new ATOM 0 HZ3 LYS B 6 -4.052 6.554 15.204 1.00 20.55 H new ATOM 1896 N THR B 7 -0.557 10.476 10.049 1.00 7.41 N ATOM 1897 CA THR B 7 0.763 10.426 9.443 1.00 7.48 C ATOM 1898 C THR B 7 1.402 9.059 9.649 1.00 8.75 C ATOM 1899 O THR B 7 0.870 8.221 10.381 1.00 8.58 O ATOM 1900 CB THR B 7 1.679 11.498 10.057 1.00 9.61 C ATOM 1901 OG1 THR B 7 1.402 11.623 11.458 1.00 11.78 O ATOM 1902 CG2 THR B 7 1.485 12.843 9.375 1.00 9.17 C ATOM 0 H THR B 7 -0.571 10.873 10.989 1.00 7.41 H new ATOM 0 HA THR B 7 0.643 10.612 8.376 1.00 7.48 H new ATOM 0 HB THR B 7 2.714 11.188 9.911 1.00 9.61 H new ATOM 0 HG1 THR B 7 2.217 11.894 11.930 1.00 11.78 H new ATOM 0 HG21 THR B 7 2.146 13.581 9.830 1.00 9.17 H new ATOM 0 HG22 THR B 7 1.720 12.751 8.315 1.00 9.17 H new ATOM 0 HG23 THR B 7 0.450 13.163 9.490 1.00 9.17 H new ATOM 1910 N LEU B 8 2.545 8.837 9.002 1.00 9.84 N ATOM 1911 CA LEU B 8 3.273 7.581 9.140 1.00 14.15 C ATOM 1912 C LEU B 8 3.703 7.397 10.593 1.00 17.37 C ATOM 1913 O LEU B 8 3.873 6.279 11.076 1.00 17.01 O ATOM 1914 CB LEU B 8 4.505 7.580 8.227 1.00 16.63 C ATOM 1915 CG LEU B 8 4.708 6.317 7.380 1.00 18.88 C ATOM 1916 CD1 LEU B 8 6.006 6.416 6.597 1.00 19.31 C ATOM 1917 CD2 LEU B 8 4.715 5.065 8.247 1.00 18.59 C ATOM 0 H LEU B 8 2.985 9.512 8.377 1.00 9.84 H new ATOM 0 HA LEU B 8 2.621 6.757 8.849 1.00 14.15 H new ATOM 0 HB2 LEU B 8 4.438 8.437 7.557 1.00 16.63 H new ATOM 0 HB3 LEU B 8 5.391 7.727 8.844 1.00 16.63 H new ATOM 0 HG LEU B 8 3.873 6.241 6.684 1.00 18.88 H new ATOM 0 HD11 LEU B 8 6.140 5.514 5.999 1.00 19.31 H new ATOM 0 HD12 LEU B 8 5.969 7.285 5.940 1.00 19.31 H new ATOM 0 HD13 LEU B 8 6.841 6.520 7.289 1.00 19.31 H new ATOM 0 HD21 LEU B 8 4.861 4.187 7.617 1.00 18.59 H new ATOM 0 HD22 LEU B 8 5.526 5.130 8.973 1.00 18.59 H new ATOM 0 HD23 LEU B 8 3.764 4.981 8.772 1.00 18.59 H new ATOM 1929 N THR B 9 3.859 8.518 11.285 1.00 18.33 N ATOM 1930 CA THR B 9 4.256 8.513 12.680 1.00 19.24 C ATOM 1931 C THR B 9 3.120 8.013 13.573 1.00 19.48 C ATOM 1932 O THR B 9 3.327 7.735 14.750 1.00 23.14 O ATOM 1933 CB THR B 9 4.674 9.923 13.124 1.00 18.97 C ATOM 1934 OG1 THR B 9 4.688 10.801 11.987 1.00 20.24 O ATOM 1935 CG2 THR B 9 6.052 9.903 13.771 1.00 19.70 C ATOM 0 H THR B 9 3.714 9.449 10.895 1.00 18.33 H new ATOM 0 HA THR B 9 5.104 7.836 12.781 1.00 19.24 H new ATOM 0 HB THR B 9 3.953 10.282 13.859 1.00 18.97 H new ATOM 0 HG1 THR B 9 4.953 11.701 12.272 1.00 20.24 H new ATOM 0 HG21 THR B 9 6.325 10.913 14.077 1.00 19.70 H new ATOM 0 HG22 THR B 9 6.034 9.252 14.645 1.00 19.70 H new ATOM 0 HG23 THR B 9 6.785 9.530 13.055 1.00 19.70 H new ATOM 1943 N GLY B 10 1.921 7.912 13.004 1.00 19.43 N ATOM 1944 CA GLY B 10 0.774 7.439 13.756 1.00 18.74 C ATOM 1945 C GLY B 10 -0.049 8.570 14.335 1.00 17.62 C ATOM 1946 O GLY B 10 -1.118 8.343 14.902 1.00 19.74 O ATOM 0 H GLY B 10 1.725 8.151 12.032 1.00 19.43 H new ATOM 0 HA2 GLY B 10 0.144 6.832 13.106 1.00 18.74 H new ATOM 0 HA3 GLY B 10 1.116 6.792 14.564 1.00 18.74 H new ATOM 1950 N LYS B 11 0.437 9.791 14.174 1.00 13.56 N ATOM 1951 CA LYS B 11 -0.252 10.962 14.697 1.00 11.91 C ATOM 1952 C LYS B 11 -1.480 11.296 13.859 1.00 10.18 C ATOM 1953 O LYS B 11 -1.384 11.507 12.649 1.00 9.10 O ATOM 1954 CB LYS B 11 0.695 12.162 14.737 1.00 13.43 C ATOM 1955 CG LYS B 11 0.052 13.433 15.274 1.00 16.69 C ATOM 1956 CD LYS B 11 0.999 14.615 15.180 1.00 17.92 C ATOM 1957 CE LYS B 11 0.398 15.867 15.795 1.00 20.81 C ATOM 1958 NZ LYS B 11 1.349 17.007 15.770 1.00 21.93 N ATOM 0 H LYS B 11 1.308 9.998 13.684 1.00 13.56 H new ATOM 0 HA LYS B 11 -0.581 10.733 15.711 1.00 11.91 H new ATOM 0 HB2 LYS B 11 1.557 11.912 15.356 1.00 13.43 H new ATOM 0 HB3 LYS B 11 1.069 12.352 13.731 1.00 13.43 H new ATOM 0 HG2 LYS B 11 -0.857 13.648 14.713 1.00 16.69 H new ATOM 0 HG3 LYS B 11 -0.243 13.283 16.313 1.00 16.69 H new ATOM 0 HD2 LYS B 11 1.934 14.374 15.686 1.00 17.92 H new ATOM 0 HD3 LYS B 11 1.242 14.804 14.134 1.00 17.92 H new ATOM 0 HE2 LYS B 11 -0.508 16.138 15.254 1.00 20.81 H new ATOM 0 HE3 LYS B 11 0.105 15.661 16.824 1.00 20.81 H new ATOM 0 HZ1 LYS B 11 1.665 17.217 16.738 1.00 21.93 H new ATOM 0 HZ2 LYS B 11 2.172 16.760 15.184 1.00 21.93 H new ATOM 0 HZ3 LYS B 11 0.878 17.844 15.370 1.00 21.93 H new ATOM 1972 N THR B 12 -2.629 11.335 14.514 1.00 9.63 N ATOM 1973 CA THR B 12 -3.881 11.653 13.850 1.00 9.85 C ATOM 1974 C THR B 12 -4.206 13.131 14.034 1.00 11.66 C ATOM 1975 O THR B 12 -4.743 13.536 15.067 1.00 12.33 O ATOM 1976 CB THR B 12 -5.031 10.794 14.406 1.00 10.85 C ATOM 1977 OG1 THR B 12 -4.493 9.635 15.063 1.00 10.91 O ATOM 1978 CG2 THR B 12 -5.970 10.359 13.291 1.00 9.63 C ATOM 0 H THR B 12 -2.719 11.149 15.513 1.00 9.63 H new ATOM 0 HA THR B 12 -3.770 11.435 12.788 1.00 9.85 H new ATOM 0 HB THR B 12 -5.596 11.393 15.120 1.00 10.85 H new ATOM 0 HG1 THR B 12 -5.226 9.090 15.418 1.00 10.91 H new ATOM 0 HG21 THR B 12 -6.774 9.753 13.708 1.00 9.63 H new ATOM 0 HG22 THR B 12 -6.392 11.239 12.807 1.00 9.63 H new ATOM 0 HG23 THR B 12 -5.417 9.772 12.558 1.00 9.63 H new ATOM 1986 N ILE B 13 -3.864 13.930 13.033 1.00 10.42 N ATOM 1987 CA ILE B 13 -4.088 15.369 13.082 1.00 11.84 C ATOM 1988 C ILE B 13 -5.518 15.728 12.696 1.00 10.55 C ATOM 1989 O ILE B 13 -5.963 15.438 11.585 1.00 11.92 O ATOM 1990 CB ILE B 13 -3.115 16.118 12.143 1.00 14.86 C ATOM 1991 CG1 ILE B 13 -1.682 15.624 12.354 1.00 14.87 C ATOM 1992 CG2 ILE B 13 -3.200 17.620 12.377 1.00 17.08 C ATOM 1993 CD1 ILE B 13 -0.710 16.116 11.304 1.00 16.46 C ATOM 0 H ILE B 13 -3.427 13.603 12.171 1.00 10.42 H new ATOM 0 HA ILE B 13 -3.909 15.677 14.112 1.00 11.84 H new ATOM 0 HB ILE B 13 -3.403 15.912 11.112 1.00 14.86 H new ATOM 0 HG12 ILE B 13 -1.337 15.946 13.336 1.00 14.87 H new ATOM 0 HG13 ILE B 13 -1.679 14.534 12.357 1.00 14.87 H new ATOM 0 HG21 ILE B 13 -2.509 18.132 11.708 1.00 17.08 H new ATOM 0 HG22 ILE B 13 -4.216 17.962 12.180 1.00 17.08 H new ATOM 0 HG23 ILE B 13 -2.936 17.843 13.411 1.00 17.08 H new ATOM 0 HD11 ILE B 13 0.285 15.726 11.518 1.00 16.46 H new ATOM 0 HD12 ILE B 13 -1.031 15.771 10.321 1.00 16.46 H new ATOM 0 HD13 ILE B 13 -0.683 17.206 11.315 1.00 16.46 H new ATOM 2005 N THR B 14 -6.231 16.352 13.620 1.00 9.39 N ATOM 2006 CA THR B 14 -7.599 16.772 13.377 1.00 9.63 C ATOM 2007 C THR B 14 -7.611 18.177 12.789 1.00 11.20 C ATOM 2008 O THR B 14 -7.096 19.117 13.399 1.00 11.63 O ATOM 2009 CB THR B 14 -8.421 16.756 14.676 1.00 10.38 C ATOM 2010 OG1 THR B 14 -7.949 15.713 15.541 1.00 16.30 O ATOM 2011 CG2 THR B 14 -9.896 16.543 14.378 1.00 11.66 C ATOM 0 H THR B 14 -5.881 16.579 14.551 1.00 9.39 H new ATOM 0 HA THR B 14 -8.049 16.072 12.673 1.00 9.63 H new ATOM 0 HB THR B 14 -8.301 17.720 15.169 1.00 10.38 H new ATOM 0 HG1 THR B 14 -8.485 14.904 15.401 1.00 16.30 H new ATOM 0 HG21 THR B 14 -10.458 16.535 15.312 1.00 11.66 H new ATOM 0 HG22 THR B 14 -10.259 17.351 13.742 1.00 11.66 H new ATOM 0 HG23 THR B 14 -10.030 15.590 13.866 1.00 11.66 H new ATOM 2019 N LEU B 15 -8.172 18.317 11.600 1.00 8.29 N ATOM 2020 CA LEU B 15 -8.228 19.612 10.938 1.00 9.03 C ATOM 2021 C LEU B 15 -9.654 19.969 10.560 1.00 8.59 C ATOM 2022 O LEU B 15 -10.443 19.105 10.175 1.00 7.79 O ATOM 2023 CB LEU B 15 -7.356 19.610 9.678 1.00 11.08 C ATOM 2024 CG LEU B 15 -5.873 19.316 9.903 1.00 15.79 C ATOM 2025 CD1 LEU B 15 -5.157 19.174 8.571 1.00 15.88 C ATOM 2026 CD2 LEU B 15 -5.229 20.414 10.731 1.00 15.27 C ATOM 0 H LEU B 15 -8.595 17.553 11.073 1.00 8.29 H new ATOM 0 HA LEU B 15 -7.851 20.357 11.638 1.00 9.03 H new ATOM 0 HB2 LEU B 15 -7.754 18.870 8.984 1.00 11.08 H new ATOM 0 HB3 LEU B 15 -7.446 20.582 9.194 1.00 11.08 H new ATOM 0 HG LEU B 15 -5.788 18.377 10.450 1.00 15.79 H new ATOM 0 HD11 LEU B 15 -4.102 18.965 8.746 1.00 15.88 H new ATOM 0 HD12 LEU B 15 -5.600 18.355 8.005 1.00 15.88 H new ATOM 0 HD13 LEU B 15 -5.254 20.100 8.005 1.00 15.88 H new ATOM 0 HD21 LEU B 15 -4.174 20.186 10.880 1.00 15.27 H new ATOM 0 HD22 LEU B 15 -5.324 21.366 10.209 1.00 15.27 H new ATOM 0 HD23 LEU B 15 -5.726 20.479 11.699 1.00 15.27 H new ATOM 2038 N GLU B 16 -9.978 21.243 10.677 1.00 11.04 N ATOM 2039 CA GLU B 16 -11.296 21.724 10.327 1.00 11.50 C ATOM 2040 C GLU B 16 -11.264 22.266 8.908 1.00 10.13 C ATOM 2041 O GLU B 16 -10.620 23.281 8.635 1.00 9.83 O ATOM 2042 CB GLU B 16 -11.748 22.806 11.300 1.00 17.22 C ATOM 2043 CG GLU B 16 -13.159 23.299 11.045 1.00 23.33 C ATOM 2044 CD GLU B 16 -13.667 24.174 12.167 1.00 26.99 C ATOM 2045 OE1 GLU B 16 -13.164 25.309 12.313 1.00 28.86 O ATOM 2046 OE2 GLU B 16 -14.566 23.732 12.909 1.00 28.90 O ATOM 0 H GLU B 16 -9.341 21.965 11.014 1.00 11.04 H new ATOM 0 HA GLU B 16 -12.009 20.901 10.387 1.00 11.50 H new ATOM 0 HB2 GLU B 16 -11.686 22.418 12.317 1.00 17.22 H new ATOM 0 HB3 GLU B 16 -11.060 23.649 11.238 1.00 17.22 H new ATOM 0 HG2 GLU B 16 -13.184 23.859 10.110 1.00 23.33 H new ATOM 0 HG3 GLU B 16 -13.825 22.444 10.923 1.00 23.33 H new ATOM 2053 N VAL B 17 -11.943 21.583 8.007 1.00 8.99 N ATOM 2054 CA VAL B 17 -11.968 21.980 6.608 1.00 8.85 C ATOM 2055 C VAL B 17 -13.358 21.804 6.012 1.00 8.04 C ATOM 2056 O VAL B 17 -14.262 21.278 6.660 1.00 8.99 O ATOM 2057 CB VAL B 17 -10.966 21.147 5.776 1.00 9.78 C ATOM 2058 CG1 VAL B 17 -9.533 21.586 6.040 1.00 12.05 C ATOM 2059 CG2 VAL B 17 -11.136 19.667 6.078 1.00 10.54 C ATOM 0 H VAL B 17 -12.488 20.747 8.218 1.00 8.99 H new ATOM 0 HA VAL B 17 -11.687 23.033 6.571 1.00 8.85 H new ATOM 0 HB VAL B 17 -11.177 21.317 4.720 1.00 9.78 H new ATOM 0 HG11 VAL B 17 -8.851 20.982 5.441 1.00 12.05 H new ATOM 0 HG12 VAL B 17 -9.419 22.636 5.772 1.00 12.05 H new ATOM 0 HG13 VAL B 17 -9.301 21.454 7.097 1.00 12.05 H new ATOM 0 HG21 VAL B 17 -10.425 19.091 5.486 1.00 10.54 H new ATOM 0 HG22 VAL B 17 -10.954 19.489 7.138 1.00 10.54 H new ATOM 0 HG23 VAL B 17 -12.151 19.359 5.827 1.00 10.54 H new ATOM 2069 N GLU B 18 -13.516 22.246 4.775 1.00 7.29 N ATOM 2070 CA GLU B 18 -14.777 22.132 4.058 1.00 7.08 C ATOM 2071 C GLU B 18 -14.534 21.412 2.735 1.00 6.45 C ATOM 2072 O GLU B 18 -13.398 21.351 2.275 1.00 5.28 O ATOM 2073 CB GLU B 18 -15.382 23.519 3.810 1.00 10.28 C ATOM 2074 CG GLU B 18 -15.957 24.165 5.064 1.00 12.65 C ATOM 2075 CD GLU B 18 -17.103 23.368 5.662 1.00 14.15 C ATOM 2076 OE1 GLU B 18 -18.060 23.044 4.927 1.00 14.33 O ATOM 2077 OE2 GLU B 18 -17.063 23.072 6.873 1.00 18.17 O ATOM 0 H GLU B 18 -12.773 22.694 4.239 1.00 7.29 H new ATOM 0 HA GLU B 18 -15.484 21.560 4.658 1.00 7.08 H new ATOM 0 HB2 GLU B 18 -14.615 24.172 3.394 1.00 10.28 H new ATOM 0 HB3 GLU B 18 -16.169 23.434 3.061 1.00 10.28 H new ATOM 0 HG2 GLU B 18 -15.167 24.271 5.808 1.00 12.65 H new ATOM 0 HG3 GLU B 18 -16.305 25.169 4.823 1.00 12.65 H new ATOM 2084 N PRO B 19 -15.578 20.841 2.113 1.00 7.24 N ATOM 2085 CA PRO B 19 -15.443 20.123 0.835 1.00 7.07 C ATOM 2086 C PRO B 19 -14.752 20.958 -0.249 1.00 6.65 C ATOM 2087 O PRO B 19 -14.024 20.427 -1.087 1.00 6.37 O ATOM 2088 CB PRO B 19 -16.891 19.827 0.441 1.00 7.61 C ATOM 2089 CG PRO B 19 -17.636 19.803 1.730 1.00 8.16 C ATOM 2090 CD PRO B 19 -16.968 20.820 2.611 1.00 7.49 C ATOM 0 HA PRO B 19 -14.820 19.234 0.937 1.00 7.07 H new ATOM 0 HB2 PRO B 19 -17.283 20.592 -0.229 1.00 7.61 H new ATOM 0 HB3 PRO B 19 -16.972 18.874 -0.081 1.00 7.61 H new ATOM 0 HG2 PRO B 19 -18.687 20.048 1.578 1.00 8.16 H new ATOM 0 HG3 PRO B 19 -17.602 18.812 2.182 1.00 8.16 H new ATOM 0 HD2 PRO B 19 -17.441 21.798 2.526 1.00 7.49 H new ATOM 0 HD3 PRO B 19 -17.014 20.534 3.662 1.00 7.49 H new ATOM 2098 N SER B 20 -14.960 22.268 -0.201 1.00 6.80 N ATOM 2099 CA SER B 20 -14.384 23.178 -1.181 1.00 6.28 C ATOM 2100 C SER B 20 -12.894 23.437 -0.937 1.00 8.45 C ATOM 2101 O SER B 20 -12.241 24.115 -1.733 1.00 7.26 O ATOM 2102 CB SER B 20 -15.155 24.491 -1.154 1.00 8.57 C ATOM 2103 OG SER B 20 -15.771 24.683 0.112 1.00 11.13 O ATOM 0 H SER B 20 -15.528 22.726 0.512 1.00 6.80 H new ATOM 0 HA SER B 20 -14.466 22.709 -2.162 1.00 6.28 H new ATOM 0 HB2 SER B 20 -14.480 25.320 -1.365 1.00 8.57 H new ATOM 0 HB3 SER B 20 -15.913 24.490 -1.937 1.00 8.57 H new ATOM 0 HG SER B 20 -16.261 25.532 0.112 1.00 11.13 H new ATOM 2109 N ASP B 21 -12.360 22.906 0.158 1.00 7.50 N ATOM 2110 CA ASP B 21 -10.949 23.088 0.475 1.00 7.70 C ATOM 2111 C ASP B 21 -10.106 22.212 -0.438 1.00 7.08 C ATOM 2112 O ASP B 21 -10.384 21.020 -0.599 1.00 8.11 O ATOM 2113 CB ASP B 21 -10.659 22.744 1.941 1.00 11.00 C ATOM 2114 CG ASP B 21 -10.063 23.910 2.711 1.00 15.32 C ATOM 2115 OD1 ASP B 21 -9.441 24.792 2.083 1.00 18.03 O ATOM 2116 OD2 ASP B 21 -10.221 23.955 3.952 1.00 14.36 O ATOM 0 H ASP B 21 -12.880 22.350 0.837 1.00 7.50 H new ATOM 0 HA ASP B 21 -10.695 24.136 0.319 1.00 7.70 H new ATOM 0 HB2 ASP B 21 -11.583 22.429 2.425 1.00 11.00 H new ATOM 0 HB3 ASP B 21 -9.973 21.898 1.982 1.00 11.00 H new ATOM 2121 N THR B 22 -9.095 22.803 -1.048 1.00 5.37 N ATOM 2122 CA THR B 22 -8.228 22.070 -1.949 1.00 6.01 C ATOM 2123 C THR B 22 -7.160 21.305 -1.176 1.00 8.01 C ATOM 2124 O THR B 22 -6.779 21.704 -0.074 1.00 8.11 O ATOM 2125 CB THR B 22 -7.558 23.014 -2.966 1.00 8.92 C ATOM 2126 OG1 THR B 22 -7.152 24.231 -2.322 1.00 10.22 O ATOM 2127 CG2 THR B 22 -8.511 23.338 -4.104 1.00 9.65 C ATOM 0 H THR B 22 -8.855 23.788 -0.935 1.00 5.37 H new ATOM 0 HA THR B 22 -8.849 21.357 -2.491 1.00 6.01 H new ATOM 0 HB THR B 22 -6.681 22.509 -3.371 1.00 8.92 H new ATOM 0 HG1 THR B 22 -6.726 24.822 -2.978 1.00 10.22 H new ATOM 0 HG21 THR B 22 -8.019 24.006 -4.811 1.00 9.65 H new ATOM 0 HG22 THR B 22 -8.797 22.417 -4.613 1.00 9.65 H new ATOM 0 HG23 THR B 22 -9.402 23.824 -3.706 1.00 9.65 H new ATOM 2135 N ILE B 23 -6.685 20.210 -1.760 1.00 8.32 N ATOM 2136 CA ILE B 23 -5.657 19.378 -1.142 1.00 9.92 C ATOM 2137 C ILE B 23 -4.437 20.216 -0.760 1.00 10.01 C ATOM 2138 O ILE B 23 -3.896 20.079 0.340 1.00 8.71 O ATOM 2139 CB ILE B 23 -5.233 18.232 -2.091 1.00 10.78 C ATOM 2140 CG1 ILE B 23 -6.405 17.273 -2.330 1.00 11.38 C ATOM 2141 CG2 ILE B 23 -4.030 17.480 -1.540 1.00 10.90 C ATOM 2142 CD1 ILE B 23 -6.889 16.568 -1.079 1.00 12.30 C ATOM 0 H ILE B 23 -6.999 19.875 -2.671 1.00 8.32 H new ATOM 0 HA ILE B 23 -6.080 18.944 -0.236 1.00 9.92 H new ATOM 0 HB ILE B 23 -4.944 18.673 -3.045 1.00 10.78 H new ATOM 0 HG12 ILE B 23 -7.235 17.831 -2.765 1.00 11.38 H new ATOM 0 HG13 ILE B 23 -6.105 16.525 -3.064 1.00 11.38 H new ATOM 0 HG21 ILE B 23 -3.754 16.680 -2.228 1.00 10.90 H new ATOM 0 HG22 ILE B 23 -3.191 18.167 -1.428 1.00 10.90 H new ATOM 0 HG23 ILE B 23 -4.281 17.053 -0.569 1.00 10.90 H new ATOM 0 HD11 ILE B 23 -7.719 15.908 -1.331 1.00 12.30 H new ATOM 0 HD12 ILE B 23 -6.075 15.981 -0.654 1.00 12.30 H new ATOM 0 HD13 ILE B 23 -7.222 17.307 -0.350 1.00 12.30 H new ATOM 2154 N GLU B 24 -4.029 21.101 -1.664 1.00 9.54 N ATOM 2155 CA GLU B 24 -2.883 21.970 -1.426 1.00 11.81 C ATOM 2156 C GLU B 24 -3.173 22.952 -0.292 1.00 11.14 C ATOM 2157 O GLU B 24 -2.285 23.285 0.493 1.00 10.62 O ATOM 2158 CB GLU B 24 -2.517 22.734 -2.699 1.00 19.24 C ATOM 2159 CG GLU B 24 -1.144 23.390 -2.645 1.00 27.76 C ATOM 2160 CD GLU B 24 -1.160 24.832 -3.116 1.00 32.92 C ATOM 2161 OE1 GLU B 24 -1.977 25.167 -4.002 1.00 34.80 O ATOM 2162 OE2 GLU B 24 -0.348 25.634 -2.611 1.00 36.51 O ATOM 0 H GLU B 24 -4.477 21.235 -2.571 1.00 9.54 H new ATOM 0 HA GLU B 24 -2.039 21.344 -1.136 1.00 11.81 H new ATOM 0 HB2 GLU B 24 -2.549 22.048 -3.546 1.00 19.24 H new ATOM 0 HB3 GLU B 24 -3.270 23.501 -2.881 1.00 19.24 H new ATOM 0 HG2 GLU B 24 -0.768 23.351 -1.623 1.00 27.76 H new ATOM 0 HG3 GLU B 24 -0.450 22.819 -3.262 1.00 27.76 H new ATOM 2169 N ASN B 25 -4.421 23.400 -0.194 1.00 9.43 N ATOM 2170 CA ASN B 25 -4.805 24.342 0.854 1.00 10.96 C ATOM 2171 C ASN B 25 -4.717 23.673 2.217 1.00 9.68 C ATOM 2172 O ASN B 25 -4.348 24.303 3.206 1.00 9.33 O ATOM 2173 CB ASN B 25 -6.219 24.881 0.637 1.00 16.78 C ATOM 2174 CG ASN B 25 -6.378 26.294 1.164 1.00 22.31 C ATOM 2175 OD1 ASN B 25 -5.486 27.130 1.007 1.00 25.66 O ATOM 2176 ND2 ASN B 25 -7.506 26.575 1.791 1.00 24.70 N ATOM 0 H ASN B 25 -5.178 23.129 -0.821 1.00 9.43 H new ATOM 0 HA ASN B 25 -4.112 25.182 0.812 1.00 10.96 H new ATOM 0 HB2 ASN B 25 -6.454 24.863 -0.427 1.00 16.78 H new ATOM 0 HB3 ASN B 25 -6.936 24.227 1.133 1.00 16.78 H new ATOM 0 HD21 ASN B 25 -7.662 27.511 2.165 1.00 24.70 H new ATOM 0 HD22 ASN B 25 -8.221 25.856 1.901 1.00 24.70 H new ATOM 2183 N VAL B 26 -5.064 22.390 2.260 1.00 6.52 N ATOM 2184 CA VAL B 26 -4.995 21.620 3.494 1.00 5.53 C ATOM 2185 C VAL B 26 -3.540 21.516 3.939 1.00 4.42 C ATOM 2186 O VAL B 26 -3.228 21.638 5.126 1.00 3.40 O ATOM 2187 CB VAL B 26 -5.591 20.204 3.318 1.00 3.86 C ATOM 2188 CG1 VAL B 26 -5.499 19.408 4.614 1.00 7.25 C ATOM 2189 CG2 VAL B 26 -7.034 20.284 2.840 1.00 8.12 C ATOM 0 H VAL B 26 -5.396 21.863 1.452 1.00 6.52 H new ATOM 0 HA VAL B 26 -5.585 22.135 4.252 1.00 5.53 H new ATOM 0 HB VAL B 26 -5.005 19.684 2.560 1.00 3.86 H new ATOM 0 HG11 VAL B 26 -5.925 18.416 4.463 1.00 7.25 H new ATOM 0 HG12 VAL B 26 -4.454 19.313 4.909 1.00 7.25 H new ATOM 0 HG13 VAL B 26 -6.052 19.925 5.398 1.00 7.25 H new ATOM 0 HG21 VAL B 26 -7.435 19.277 2.722 1.00 8.12 H new ATOM 0 HG22 VAL B 26 -7.630 20.829 3.572 1.00 8.12 H new ATOM 0 HG23 VAL B 26 -7.072 20.804 1.883 1.00 8.12 H new ATOM 2199 N LYS B 27 -2.653 21.322 2.964 1.00 2.64 N ATOM 2200 CA LYS B 27 -1.220 21.225 3.222 1.00 4.14 C ATOM 2201 C LYS B 27 -0.714 22.500 3.881 1.00 5.58 C ATOM 2202 O LYS B 27 0.085 22.455 4.819 1.00 4.11 O ATOM 2203 CB LYS B 27 -0.453 21.004 1.920 1.00 3.97 C ATOM 2204 CG LYS B 27 -0.695 19.660 1.268 1.00 7.45 C ATOM 2205 CD LYS B 27 0.118 19.532 -0.007 1.00 9.02 C ATOM 2206 CE LYS B 27 0.260 18.088 -0.443 1.00 12.90 C ATOM 2207 NZ LYS B 27 1.242 17.945 -1.550 1.00 15.47 N ATOM 0 H LYS B 27 -2.906 21.228 1.980 1.00 2.64 H new ATOM 0 HA LYS B 27 -1.056 20.377 3.887 1.00 4.14 H new ATOM 0 HB2 LYS B 27 -0.725 21.790 1.215 1.00 3.97 H new ATOM 0 HB3 LYS B 27 0.613 21.110 2.119 1.00 3.97 H new ATOM 0 HG2 LYS B 27 -0.427 18.861 1.959 1.00 7.45 H new ATOM 0 HG3 LYS B 27 -1.755 19.544 1.043 1.00 7.45 H new ATOM 0 HD2 LYS B 27 -0.359 20.106 -0.801 1.00 9.02 H new ATOM 0 HD3 LYS B 27 1.107 19.964 0.148 1.00 9.02 H new ATOM 0 HE2 LYS B 27 0.576 17.481 0.405 1.00 12.90 H new ATOM 0 HE3 LYS B 27 -0.709 17.707 -0.764 1.00 12.90 H new ATOM 0 HZ1 LYS B 27 1.911 17.181 -1.324 1.00 15.47 H new ATOM 0 HZ2 LYS B 27 0.740 17.717 -2.432 1.00 15.47 H new ATOM 0 HZ3 LYS B 27 1.763 18.837 -1.669 1.00 15.47 H new ATOM 2221 N ALA B 28 -1.189 23.634 3.379 1.00 6.61 N ATOM 2222 CA ALA B 28 -0.806 24.938 3.902 1.00 7.74 C ATOM 2223 C ALA B 28 -1.208 25.076 5.367 1.00 9.17 C ATOM 2224 O ALA B 28 -0.495 25.693 6.162 1.00 11.45 O ATOM 2225 CB ALA B 28 -1.438 26.041 3.067 1.00 7.68 C ATOM 0 H ALA B 28 -1.848 23.675 2.601 1.00 6.61 H new ATOM 0 HA ALA B 28 0.278 25.030 3.842 1.00 7.74 H new ATOM 0 HB1 ALA B 28 -1.146 27.012 3.466 1.00 7.68 H new ATOM 0 HB2 ALA B 28 -1.099 25.956 2.035 1.00 7.68 H new ATOM 0 HB3 ALA B 28 -2.523 25.947 3.101 1.00 7.68 H new ATOM 2231 N LYS B 29 -2.348 24.494 5.721 1.00 8.96 N ATOM 2232 CA LYS B 29 -2.831 24.540 7.093 1.00 7.90 C ATOM 2233 C LYS B 29 -1.946 23.664 7.979 1.00 6.92 C ATOM 2234 O LYS B 29 -1.694 23.982 9.144 1.00 6.87 O ATOM 2235 CB LYS B 29 -4.297 24.093 7.157 1.00 10.28 C ATOM 2236 CG LYS B 29 -5.210 24.932 6.272 1.00 14.94 C ATOM 2237 CD LYS B 29 -6.681 24.583 6.456 1.00 19.69 C ATOM 2238 CE LYS B 29 -7.568 25.527 5.654 1.00 22.63 C ATOM 2239 NZ LYS B 29 -9.016 25.290 5.903 1.00 24.98 N ATOM 0 H LYS B 29 -2.953 23.986 5.077 1.00 8.96 H new ATOM 0 HA LYS B 29 -2.780 25.565 7.460 1.00 7.90 H new ATOM 0 HB2 LYS B 29 -4.367 23.048 6.855 1.00 10.28 H new ATOM 0 HB3 LYS B 29 -4.645 24.151 8.188 1.00 10.28 H new ATOM 0 HG2 LYS B 29 -5.059 25.988 6.497 1.00 14.94 H new ATOM 0 HG3 LYS B 29 -4.933 24.786 5.228 1.00 14.94 H new ATOM 0 HD2 LYS B 29 -6.857 23.555 6.139 1.00 19.69 H new ATOM 0 HD3 LYS B 29 -6.943 24.641 7.512 1.00 19.69 H new ATOM 0 HE2 LYS B 29 -7.322 26.558 5.909 1.00 22.63 H new ATOM 0 HE3 LYS B 29 -7.359 25.403 4.591 1.00 22.63 H new ATOM 0 HZ1 LYS B 29 -9.465 24.938 5.033 1.00 24.98 H new ATOM 0 HZ2 LYS B 29 -9.127 24.586 6.660 1.00 24.98 H new ATOM 0 HZ3 LYS B 29 -9.469 26.181 6.190 1.00 24.98 H new ATOM 2253 N ILE B 30 -1.456 22.569 7.405 1.00 4.57 N ATOM 2254 CA ILE B 30 -0.570 21.659 8.120 1.00 5.58 C ATOM 2255 C ILE B 30 0.795 22.320 8.304 1.00 7.26 C ATOM 2256 O ILE B 30 1.452 22.153 9.333 1.00 9.46 O ATOM 2257 CB ILE B 30 -0.410 20.316 7.369 1.00 5.36 C ATOM 2258 CG1 ILE B 30 -1.761 19.601 7.279 1.00 2.94 C ATOM 2259 CG2 ILE B 30 0.620 19.429 8.059 1.00 2.78 C ATOM 2260 CD1 ILE B 30 -1.732 18.341 6.439 1.00 2.00 C ATOM 0 H ILE B 30 -1.659 22.291 6.445 1.00 4.57 H new ATOM 0 HA ILE B 30 -1.012 21.444 9.093 1.00 5.58 H new ATOM 0 HB ILE B 30 -0.054 20.523 6.360 1.00 5.36 H new ATOM 0 HG12 ILE B 30 -2.095 19.348 8.285 1.00 2.94 H new ATOM 0 HG13 ILE B 30 -2.498 20.288 6.862 1.00 2.94 H new ATOM 0 HG21 ILE B 30 0.716 18.490 7.513 1.00 2.78 H new ATOM 0 HG22 ILE B 30 1.584 19.938 8.078 1.00 2.78 H new ATOM 0 HG23 ILE B 30 0.298 19.224 9.080 1.00 2.78 H new ATOM 0 HD11 ILE B 30 -2.725 17.891 6.423 1.00 2.00 H new ATOM 0 HD12 ILE B 30 -1.429 18.589 5.422 1.00 2.00 H new ATOM 0 HD13 ILE B 30 -1.021 17.635 6.867 1.00 2.00 H new ATOM 2272 N GLN B 31 1.200 23.094 7.303 1.00 7.06 N ATOM 2273 CA GLN B 31 2.470 23.808 7.339 1.00 8.67 C ATOM 2274 C GLN B 31 2.442 24.877 8.427 1.00 10.90 C ATOM 2275 O GLN B 31 3.460 25.184 9.042 1.00 9.63 O ATOM 2276 CB GLN B 31 2.751 24.448 5.979 1.00 9.12 C ATOM 2277 CG GLN B 31 4.063 25.218 5.915 1.00 10.76 C ATOM 2278 CD GLN B 31 4.166 26.086 4.676 1.00 13.78 C ATOM 2279 OE1 GLN B 31 3.157 26.550 4.145 1.00 14.48 O ATOM 2280 NE2 GLN B 31 5.380 26.315 4.206 1.00 14.76 N ATOM 0 H GLN B 31 0.661 23.243 6.450 1.00 7.06 H new ATOM 0 HA GLN B 31 3.266 23.099 7.566 1.00 8.67 H new ATOM 0 HB2 GLN B 31 2.762 23.668 5.218 1.00 9.12 H new ATOM 0 HB3 GLN B 31 1.933 25.124 5.731 1.00 9.12 H new ATOM 0 HG2 GLN B 31 4.157 25.844 6.802 1.00 10.76 H new ATOM 0 HG3 GLN B 31 4.895 24.514 5.932 1.00 10.76 H new ATOM 0 HE21 GLN B 31 6.192 25.913 4.674 1.00 14.76 H new ATOM 0 HE22 GLN B 31 5.505 26.894 3.375 1.00 14.76 H new ATOM 2289 N ASP B 32 1.267 25.435 8.666 1.00 10.93 N ATOM 2290 CA ASP B 32 1.102 26.459 9.685 1.00 14.01 C ATOM 2291 C ASP B 32 1.237 25.864 11.086 1.00 14.04 C ATOM 2292 O ASP B 32 1.913 26.425 11.948 1.00 13.39 O ATOM 2293 CB ASP B 32 -0.261 27.140 9.534 1.00 18.01 C ATOM 2294 CG ASP B 32 -0.599 28.033 10.712 1.00 24.33 C ATOM 2295 OD1 ASP B 32 0.039 29.096 10.860 1.00 25.17 O ATOM 2296 OD2 ASP B 32 -1.501 27.671 11.500 1.00 26.29 O ATOM 0 H ASP B 32 0.410 25.195 8.167 1.00 10.93 H new ATOM 0 HA ASP B 32 1.889 27.201 9.551 1.00 14.01 H new ATOM 0 HB2 ASP B 32 -0.268 27.733 8.619 1.00 18.01 H new ATOM 0 HB3 ASP B 32 -1.034 26.379 9.426 1.00 18.01 H new ATOM 2301 N LYS B 33 0.608 24.716 11.298 1.00 14.22 N ATOM 2302 CA LYS B 33 0.636 24.055 12.600 1.00 14.00 C ATOM 2303 C LYS B 33 1.917 23.246 12.818 1.00 12.37 C ATOM 2304 O LYS B 33 2.731 23.574 13.685 1.00 12.17 O ATOM 2305 CB LYS B 33 -0.584 23.139 12.742 1.00 18.62 C ATOM 2306 CG LYS B 33 -1.913 23.880 12.731 1.00 24.00 C ATOM 2307 CD LYS B 33 -3.069 22.942 12.419 1.00 27.61 C ATOM 2308 CE LYS B 33 -4.415 23.626 12.605 1.00 27.64 C ATOM 2309 NZ LYS B 33 -4.798 23.722 14.038 1.00 30.06 N ATOM 0 H LYS B 33 0.071 24.221 10.586 1.00 14.22 H new ATOM 0 HA LYS B 33 0.611 24.836 13.360 1.00 14.00 H new ATOM 0 HB2 LYS B 33 -0.577 22.412 11.930 1.00 18.62 H new ATOM 0 HB3 LYS B 33 -0.499 22.578 13.673 1.00 18.62 H new ATOM 0 HG2 LYS B 33 -2.076 24.351 13.700 1.00 24.00 H new ATOM 0 HG3 LYS B 33 -1.880 24.678 11.990 1.00 24.00 H new ATOM 0 HD2 LYS B 33 -2.981 22.585 11.393 1.00 27.61 H new ATOM 0 HD3 LYS B 33 -3.013 22.067 13.067 1.00 27.61 H new ATOM 0 HE2 LYS B 33 -4.376 24.626 12.172 1.00 27.64 H new ATOM 0 HE3 LYS B 33 -5.181 23.073 12.061 1.00 27.64 H new ATOM 0 HZ1 LYS B 33 -5.721 24.194 14.120 1.00 30.06 H new ATOM 0 HZ2 LYS B 33 -4.860 22.767 14.445 1.00 30.06 H new ATOM 0 HZ3 LYS B 33 -4.081 24.272 14.553 1.00 30.06 H new ATOM 2323 N GLU B 34 2.095 22.201 12.024 1.00 10.11 N ATOM 2324 CA GLU B 34 3.253 21.320 12.154 1.00 10.07 C ATOM 2325 C GLU B 34 4.526 21.975 11.634 1.00 9.32 C ATOM 2326 O GLU B 34 5.603 21.802 12.207 1.00 11.61 O ATOM 2327 CB GLU B 34 3.007 20.013 11.395 1.00 14.77 C ATOM 2328 CG GLU B 34 1.748 19.280 11.825 1.00 18.75 C ATOM 2329 CD GLU B 34 1.775 18.882 13.284 1.00 22.28 C ATOM 2330 OE1 GLU B 34 2.863 18.552 13.799 1.00 21.95 O ATOM 2331 OE2 GLU B 34 0.707 18.889 13.929 1.00 25.19 O ATOM 0 H GLU B 34 1.450 21.939 11.278 1.00 10.11 H new ATOM 0 HA GLU B 34 3.388 21.114 13.216 1.00 10.07 H new ATOM 0 HB2 GLU B 34 2.943 20.230 10.329 1.00 14.77 H new ATOM 0 HB3 GLU B 34 3.865 19.355 11.536 1.00 14.77 H new ATOM 0 HG2 GLU B 34 0.882 19.916 11.642 1.00 18.75 H new ATOM 0 HG3 GLU B 34 1.624 18.388 11.211 1.00 18.75 H new ATOM 2338 N GLY B 35 4.402 22.720 10.550 1.00 7.22 N ATOM 2339 CA GLY B 35 5.559 23.370 9.967 1.00 6.29 C ATOM 2340 C GLY B 35 6.143 22.558 8.833 1.00 6.93 C ATOM 2341 O GLY B 35 7.178 22.908 8.270 1.00 7.41 O ATOM 0 H GLY B 35 3.523 22.888 10.061 1.00 7.22 H new ATOM 0 HA2 GLY B 35 5.276 24.357 9.600 1.00 6.29 H new ATOM 0 HA3 GLY B 35 6.317 23.521 10.735 1.00 6.29 H new ATOM 2345 N ILE B 36 5.471 21.462 8.505 1.00 5.86 N ATOM 2346 CA ILE B 36 5.914 20.576 7.438 1.00 6.07 C ATOM 2347 C ILE B 36 5.633 21.190 6.070 1.00 6.36 C ATOM 2348 O ILE B 36 4.492 21.535 5.764 1.00 6.18 O ATOM 2349 CB ILE B 36 5.215 19.200 7.522 1.00 7.47 C ATOM 2350 CG1 ILE B 36 5.446 18.564 8.895 1.00 8.52 C ATOM 2351 CG2 ILE B 36 5.714 18.279 6.416 1.00 7.36 C ATOM 2352 CD1 ILE B 36 4.584 17.346 9.150 1.00 9.49 C ATOM 0 H ILE B 36 4.611 21.165 8.967 1.00 5.86 H new ATOM 0 HA ILE B 36 6.988 20.438 7.563 1.00 6.07 H new ATOM 0 HB ILE B 36 4.144 19.349 7.388 1.00 7.47 H new ATOM 0 HG12 ILE B 36 6.495 18.282 8.984 1.00 8.52 H new ATOM 0 HG13 ILE B 36 5.249 19.307 9.668 1.00 8.52 H new ATOM 0 HG21 ILE B 36 5.211 17.315 6.491 1.00 7.36 H new ATOM 0 HG22 ILE B 36 5.499 18.726 5.445 1.00 7.36 H new ATOM 0 HG23 ILE B 36 6.790 18.136 6.519 1.00 7.36 H new ATOM 0 HD11 ILE B 36 4.801 16.948 10.141 1.00 9.49 H new ATOM 0 HD12 ILE B 36 3.532 17.626 9.094 1.00 9.49 H new ATOM 0 HD13 ILE B 36 4.797 16.586 8.399 1.00 9.49 H new ATOM 2364 N PRO B 37 6.675 21.352 5.236 1.00 8.65 N ATOM 2365 CA PRO B 37 6.529 21.915 3.891 1.00 9.18 C ATOM 2366 C PRO B 37 5.574 21.086 3.027 1.00 9.85 C ATOM 2367 O PRO B 37 5.713 19.864 2.934 1.00 8.51 O ATOM 2368 CB PRO B 37 7.949 21.866 3.318 1.00 11.42 C ATOM 2369 CG PRO B 37 8.846 21.774 4.504 1.00 9.27 C ATOM 2370 CD PRO B 37 8.078 21.013 5.544 1.00 8.33 C ATOM 0 HA PRO B 37 6.106 22.919 3.912 1.00 9.18 H new ATOM 0 HB2 PRO B 37 8.078 21.007 2.659 1.00 11.42 H new ATOM 0 HB3 PRO B 37 8.166 22.756 2.728 1.00 11.42 H new ATOM 0 HG2 PRO B 37 9.775 21.262 4.252 1.00 9.27 H new ATOM 0 HG3 PRO B 37 9.117 22.766 4.866 1.00 9.27 H new ATOM 0 HD2 PRO B 37 8.259 19.940 5.474 1.00 8.33 H new ATOM 0 HD3 PRO B 37 8.355 21.318 6.553 1.00 8.33 H new ATOM 2378 N PRO B 38 4.584 21.745 2.399 1.00 8.71 N ATOM 2379 CA PRO B 38 3.585 21.087 1.538 1.00 9.08 C ATOM 2380 C PRO B 38 4.196 20.185 0.463 1.00 9.28 C ATOM 2381 O PRO B 38 3.595 19.181 0.071 1.00 6.50 O ATOM 2382 CB PRO B 38 2.859 22.264 0.884 1.00 10.31 C ATOM 2383 CG PRO B 38 2.989 23.371 1.866 1.00 10.81 C ATOM 2384 CD PRO B 38 4.341 23.198 2.498 1.00 12.00 C ATOM 0 HA PRO B 38 2.945 20.422 2.118 1.00 9.08 H new ATOM 0 HB2 PRO B 38 3.310 22.527 -0.073 1.00 10.31 H new ATOM 0 HB3 PRO B 38 1.813 22.027 0.689 1.00 10.31 H new ATOM 0 HG2 PRO B 38 2.907 24.341 1.375 1.00 10.81 H new ATOM 0 HG3 PRO B 38 2.198 23.325 2.615 1.00 10.81 H new ATOM 0 HD2 PRO B 38 5.106 23.770 1.972 1.00 12.00 H new ATOM 0 HD3 PRO B 38 4.346 23.536 3.534 1.00 12.00 H new ATOM 2392 N ASP B 39 5.397 20.530 0.009 1.00 11.20 N ATOM 2393 CA ASP B 39 6.076 19.756 -1.030 1.00 14.96 C ATOM 2394 C ASP B 39 6.508 18.387 -0.523 1.00 13.99 C ATOM 2395 O ASP B 39 6.734 17.475 -1.313 1.00 13.75 O ATOM 2396 CB ASP B 39 7.299 20.508 -1.553 1.00 24.16 C ATOM 2397 CG ASP B 39 6.956 21.496 -2.645 1.00 31.06 C ATOM 2398 OD1 ASP B 39 6.603 21.058 -3.760 1.00 35.55 O ATOM 2399 OD2 ASP B 39 7.051 22.720 -2.398 1.00 34.22 O ATOM 0 H ASP B 39 5.921 21.339 0.342 1.00 11.20 H new ATOM 0 HA ASP B 39 5.360 19.615 -1.840 1.00 14.96 H new ATOM 0 HB2 ASP B 39 7.775 21.037 -0.727 1.00 24.16 H new ATOM 0 HB3 ASP B 39 8.026 19.790 -1.934 1.00 24.16 H new ATOM 2404 N GLN B 40 6.620 18.242 0.791 1.00 11.60 N ATOM 2405 CA GLN B 40 7.035 16.972 1.382 1.00 10.76 C ATOM 2406 C GLN B 40 5.833 16.200 1.911 1.00 8.01 C ATOM 2407 O GLN B 40 5.978 15.105 2.453 1.00 8.96 O ATOM 2408 CB GLN B 40 8.038 17.205 2.513 1.00 11.14 C ATOM 2409 CG GLN B 40 9.194 18.112 2.125 1.00 14.85 C ATOM 2410 CD GLN B 40 10.267 18.185 3.194 1.00 16.11 C ATOM 2411 OE1 GLN B 40 9.999 17.995 4.381 1.00 20.52 O ATOM 2412 NE2 GLN B 40 11.489 18.470 2.782 1.00 18.16 N ATOM 0 H GLN B 40 6.431 18.982 1.467 1.00 11.60 H new ATOM 0 HA GLN B 40 7.513 16.382 0.600 1.00 10.76 H new ATOM 0 HB2 GLN B 40 7.517 17.640 3.366 1.00 11.14 H new ATOM 0 HB3 GLN B 40 8.435 16.244 2.839 1.00 11.14 H new ATOM 0 HG2 GLN B 40 9.637 17.752 1.196 1.00 14.85 H new ATOM 0 HG3 GLN B 40 8.814 19.115 1.929 1.00 14.85 H new ATOM 0 HE21 GLN B 40 11.670 18.621 1.790 1.00 18.16 H new ATOM 0 HE22 GLN B 40 12.251 18.539 3.456 1.00 18.16 H new ATOM 2421 N GLN B 41 4.651 16.774 1.743 1.00 6.52 N ATOM 2422 CA GLN B 41 3.418 16.157 2.210 1.00 3.87 C ATOM 2423 C GLN B 41 2.788 15.299 1.117 1.00 4.79 C ATOM 2424 O GLN B 41 2.348 15.814 0.087 1.00 6.34 O ATOM 2425 CB GLN B 41 2.421 17.233 2.648 1.00 4.20 C ATOM 2426 CG GLN B 41 2.883 18.081 3.823 1.00 3.20 C ATOM 2427 CD GLN B 41 1.825 19.075 4.259 1.00 4.89 C ATOM 2428 OE1 GLN B 41 0.631 18.812 4.148 1.00 5.21 O ATOM 2429 NE2 GLN B 41 2.251 20.227 4.753 1.00 7.13 N ATOM 0 H GLN B 41 4.519 17.674 1.282 1.00 6.52 H new ATOM 0 HA GLN B 41 3.663 15.519 3.059 1.00 3.87 H new ATOM 0 HB2 GLN B 41 2.218 17.888 1.801 1.00 4.20 H new ATOM 0 HB3 GLN B 41 1.479 16.752 2.912 1.00 4.20 H new ATOM 0 HG2 GLN B 41 3.137 17.431 4.661 1.00 3.20 H new ATOM 0 HG3 GLN B 41 3.792 18.617 3.548 1.00 3.20 H new ATOM 0 HE21 GLN B 41 3.251 20.410 4.830 1.00 7.13 H new ATOM 0 HE22 GLN B 41 1.579 20.931 5.057 1.00 7.13 H new ATOM 2438 N ARG B 42 2.753 13.994 1.336 1.00 5.73 N ATOM 2439 CA ARG B 42 2.158 13.076 0.373 1.00 6.97 C ATOM 2440 C ARG B 42 0.900 12.444 0.961 1.00 7.15 C ATOM 2441 O ARG B 42 0.978 11.658 1.904 1.00 7.33 O ATOM 2442 CB ARG B 42 3.154 11.983 -0.023 1.00 13.23 C ATOM 2443 CG ARG B 42 4.531 12.513 -0.381 1.00 21.27 C ATOM 2444 CD ARG B 42 5.493 11.385 -0.711 1.00 26.14 C ATOM 2445 NE ARG B 42 5.670 11.215 -2.153 1.00 32.26 N ATOM 2446 CZ ARG B 42 6.390 10.240 -2.707 1.00 34.32 C ATOM 2447 NH1 ARG B 42 6.984 9.329 -1.945 1.00 35.30 N ATOM 2448 NH2 ARG B 42 6.512 10.165 -4.025 1.00 36.39 N ATOM 0 H ARG B 42 3.129 13.545 2.171 1.00 5.73 H new ATOM 0 HA ARG B 42 1.892 13.641 -0.520 1.00 6.97 H new ATOM 0 HB2 ARG B 42 3.250 11.275 0.800 1.00 13.23 H new ATOM 0 HB3 ARG B 42 2.755 11.431 -0.873 1.00 13.23 H new ATOM 0 HG2 ARG B 42 4.452 13.187 -1.234 1.00 21.27 H new ATOM 0 HG3 ARG B 42 4.925 13.097 0.451 1.00 21.27 H new ATOM 0 HD2 ARG B 42 6.459 11.587 -0.249 1.00 26.14 H new ATOM 0 HD3 ARG B 42 5.122 10.455 -0.280 1.00 26.14 H new ATOM 0 HE ARG B 42 5.214 11.884 -2.773 1.00 32.26 H new ATOM 0 HH11 ARG B 42 6.890 9.373 -0.930 1.00 35.30 H new ATOM 0 HH12 ARG B 42 7.534 8.585 -2.374 1.00 35.30 H new ATOM 0 HH21 ARG B 42 6.054 10.855 -4.620 1.00 36.39 H new ATOM 0 HH22 ARG B 42 7.064 9.417 -4.444 1.00 36.39 H new ATOM 2462 N LEU B 43 -0.255 12.798 0.415 1.00 4.65 N ATOM 2463 CA LEU B 43 -1.522 12.262 0.900 1.00 3.51 C ATOM 2464 C LEU B 43 -1.906 10.995 0.147 1.00 5.56 C ATOM 2465 O LEU B 43 -1.750 10.911 -1.076 1.00 4.19 O ATOM 2466 CB LEU B 43 -2.632 13.304 0.769 1.00 3.74 C ATOM 2467 CG LEU B 43 -2.727 14.301 1.925 1.00 6.32 C ATOM 2468 CD1 LEU B 43 -3.691 15.423 1.584 1.00 9.55 C ATOM 2469 CD2 LEU B 43 -3.157 13.602 3.208 1.00 6.41 C ATOM 0 H LEU B 43 -0.342 13.452 -0.362 1.00 4.65 H new ATOM 0 HA LEU B 43 -1.395 12.011 1.953 1.00 3.51 H new ATOM 0 HB2 LEU B 43 -2.481 13.859 -0.157 1.00 3.74 H new ATOM 0 HB3 LEU B 43 -3.586 12.786 0.678 1.00 3.74 H new ATOM 0 HG LEU B 43 -1.738 14.731 2.085 1.00 6.32 H new ATOM 0 HD11 LEU B 43 -3.745 16.122 2.418 1.00 9.55 H new ATOM 0 HD12 LEU B 43 -3.340 15.946 0.694 1.00 9.55 H new ATOM 0 HD13 LEU B 43 -4.681 15.007 1.394 1.00 9.55 H new ATOM 0 HD21 LEU B 43 -3.218 14.331 4.016 1.00 6.41 H new ATOM 0 HD22 LEU B 43 -4.134 13.141 3.061 1.00 6.41 H new ATOM 0 HD23 LEU B 43 -2.428 12.834 3.466 1.00 6.41 H new ATOM 2481 N ILE B 44 -2.405 10.013 0.890 1.00 4.58 N ATOM 2482 CA ILE B 44 -2.812 8.733 0.321 1.00 5.55 C ATOM 2483 C ILE B 44 -4.220 8.368 0.779 1.00 5.46 C ATOM 2484 O ILE B 44 -4.614 8.679 1.906 1.00 6.04 O ATOM 2485 CB ILE B 44 -1.846 7.596 0.733 1.00 6.80 C ATOM 2486 CG1 ILE B 44 -0.397 8.080 0.703 1.00 10.31 C ATOM 2487 CG2 ILE B 44 -2.016 6.393 -0.181 1.00 7.39 C ATOM 2488 CD1 ILE B 44 0.151 8.435 2.068 1.00 13.90 C ATOM 0 H ILE B 44 -2.538 10.081 1.899 1.00 4.58 H new ATOM 0 HA ILE B 44 -2.789 8.842 -0.763 1.00 5.55 H new ATOM 0 HB ILE B 44 -2.090 7.297 1.752 1.00 6.80 H new ATOM 0 HG12 ILE B 44 0.228 7.304 0.261 1.00 10.31 H new ATOM 0 HG13 ILE B 44 -0.328 8.953 0.054 1.00 10.31 H new ATOM 0 HG21 ILE B 44 -1.329 5.604 0.124 1.00 7.39 H new ATOM 0 HG22 ILE B 44 -3.041 6.027 -0.114 1.00 7.39 H new ATOM 0 HG23 ILE B 44 -1.801 6.684 -1.209 1.00 7.39 H new ATOM 0 HD11 ILE B 44 1.183 8.770 1.970 1.00 13.90 H new ATOM 0 HD12 ILE B 44 -0.450 9.233 2.505 1.00 13.90 H new ATOM 0 HD13 ILE B 44 0.114 7.558 2.714 1.00 13.90 H new ATOM 2500 N PHE B 45 -4.976 7.723 -0.102 1.00 6.75 N ATOM 2501 CA PHE B 45 -6.334 7.307 0.213 1.00 4.70 C ATOM 2502 C PHE B 45 -6.665 5.979 -0.470 1.00 6.34 C ATOM 2503 O PHE B 45 -7.086 5.958 -1.627 1.00 5.45 O ATOM 2504 CB PHE B 45 -7.329 8.387 -0.224 1.00 5.51 C ATOM 2505 CG PHE B 45 -8.590 8.418 0.596 1.00 5.98 C ATOM 2506 CD1 PHE B 45 -8.598 9.007 1.851 1.00 6.86 C ATOM 2507 CD2 PHE B 45 -9.766 7.867 0.112 1.00 5.87 C ATOM 2508 CE1 PHE B 45 -9.755 9.045 2.608 1.00 6.68 C ATOM 2509 CE2 PHE B 45 -10.925 7.901 0.865 1.00 6.64 C ATOM 2510 CZ PHE B 45 -10.919 8.492 2.115 1.00 6.84 C ATOM 0 H PHE B 45 -4.668 7.477 -1.043 1.00 6.75 H new ATOM 0 HA PHE B 45 -6.411 7.168 1.291 1.00 4.70 H new ATOM 0 HB2 PHE B 45 -6.843 9.361 -0.164 1.00 5.51 H new ATOM 0 HB3 PHE B 45 -7.591 8.225 -1.270 1.00 5.51 H new ATOM 0 HD1 PHE B 45 -7.690 9.441 2.242 1.00 6.86 H new ATOM 0 HD2 PHE B 45 -9.777 7.406 -0.865 1.00 5.87 H new ATOM 0 HE1 PHE B 45 -9.747 9.507 3.584 1.00 6.68 H new ATOM 0 HE2 PHE B 45 -11.834 7.466 0.477 1.00 6.64 H new ATOM 0 HZ PHE B 45 -11.824 8.521 2.704 1.00 6.84 H new ATOM 2520 N ALA B 46 -6.439 4.879 0.249 1.00 6.53 N ATOM 2521 CA ALA B 46 -6.721 3.526 -0.248 1.00 7.15 C ATOM 2522 C ALA B 46 -5.875 3.169 -1.469 1.00 9.00 C ATOM 2523 O ALA B 46 -6.407 2.812 -2.527 1.00 11.15 O ATOM 2524 CB ALA B 46 -8.208 3.359 -0.560 1.00 8.99 C ATOM 0 H ALA B 46 -6.055 4.898 1.194 1.00 6.53 H new ATOM 0 HA ALA B 46 -6.449 2.833 0.548 1.00 7.15 H new ATOM 0 HB1 ALA B 46 -8.392 2.349 -0.926 1.00 8.99 H new ATOM 0 HB2 ALA B 46 -8.791 3.528 0.345 1.00 8.99 H new ATOM 0 HB3 ALA B 46 -8.503 4.081 -1.322 1.00 8.99 H new ATOM 2530 N GLY B 47 -4.560 3.246 -1.308 1.00 9.35 N ATOM 2531 CA GLY B 47 -3.652 2.925 -2.397 1.00 11.68 C ATOM 2532 C GLY B 47 -3.722 3.923 -3.538 1.00 11.14 C ATOM 2533 O GLY B 47 -3.336 3.618 -4.668 1.00 13.93 O ATOM 0 H GLY B 47 -4.103 3.526 -0.440 1.00 9.35 H new ATOM 0 HA2 GLY B 47 -2.632 2.889 -2.014 1.00 11.68 H new ATOM 0 HA3 GLY B 47 -3.885 1.930 -2.776 1.00 11.68 H new ATOM 2537 N LYS B 48 -4.229 5.111 -3.249 1.00 10.47 N ATOM 2538 CA LYS B 48 -4.348 6.154 -4.253 1.00 8.82 C ATOM 2539 C LYS B 48 -3.681 7.429 -3.769 1.00 7.68 C ATOM 2540 O LYS B 48 -3.939 7.893 -2.659 1.00 6.47 O ATOM 2541 CB LYS B 48 -5.816 6.443 -4.569 1.00 9.74 C ATOM 2542 CG LYS B 48 -6.602 5.236 -5.055 1.00 14.14 C ATOM 2543 CD LYS B 48 -8.033 5.611 -5.419 1.00 16.32 C ATOM 2544 CE LYS B 48 -8.781 6.204 -4.234 1.00 20.04 C ATOM 2545 NZ LYS B 48 -10.175 6.577 -4.586 1.00 23.92 N ATOM 0 H LYS B 48 -4.566 5.377 -2.324 1.00 10.47 H new ATOM 0 HA LYS B 48 -3.853 5.804 -5.159 1.00 8.82 H new ATOM 0 HB2 LYS B 48 -6.297 6.838 -3.674 1.00 9.74 H new ATOM 0 HB3 LYS B 48 -5.865 7.223 -5.328 1.00 9.74 H new ATOM 0 HG2 LYS B 48 -6.106 4.803 -5.924 1.00 14.14 H new ATOM 0 HG3 LYS B 48 -6.612 4.470 -4.279 1.00 14.14 H new ATOM 0 HD2 LYS B 48 -8.023 6.329 -6.239 1.00 16.32 H new ATOM 0 HD3 LYS B 48 -8.561 4.727 -5.776 1.00 16.32 H new ATOM 0 HE2 LYS B 48 -8.794 5.484 -3.416 1.00 20.04 H new ATOM 0 HE3 LYS B 48 -8.250 7.085 -3.874 1.00 20.04 H new ATOM 0 HZ1 LYS B 48 -10.649 6.977 -3.751 1.00 23.92 H new ATOM 0 HZ2 LYS B 48 -10.163 7.284 -5.349 1.00 23.92 H new ATOM 0 HZ3 LYS B 48 -10.690 5.732 -4.905 1.00 23.92 H new ATOM 2559 N GLN B 49 -2.821 7.985 -4.600 1.00 8.89 N ATOM 2560 CA GLN B 49 -2.132 9.215 -4.263 1.00 7.18 C ATOM 2561 C GLN B 49 -3.020 10.404 -4.606 1.00 8.23 C ATOM 2562 O GLN B 49 -3.488 10.527 -5.739 1.00 9.70 O ATOM 2563 CB GLN B 49 -0.805 9.303 -5.014 1.00 11.67 C ATOM 2564 CG GLN B 49 0.406 9.370 -4.102 1.00 15.82 C ATOM 2565 CD GLN B 49 0.980 10.768 -4.005 1.00 20.21 C ATOM 2566 OE1 GLN B 49 1.839 11.150 -4.798 1.00 23.23 O ATOM 2567 NE2 GLN B 49 0.511 11.540 -3.038 1.00 20.67 N ATOM 0 H GLN B 49 -2.583 7.603 -5.515 1.00 8.89 H new ATOM 0 HA GLN B 49 -1.919 9.227 -3.194 1.00 7.18 H new ATOM 0 HB2 GLN B 49 -0.709 8.436 -5.668 1.00 11.67 H new ATOM 0 HB3 GLN B 49 -0.817 10.185 -5.654 1.00 11.67 H new ATOM 0 HG2 GLN B 49 0.127 9.025 -3.106 1.00 15.82 H new ATOM 0 HG3 GLN B 49 1.174 8.690 -4.471 1.00 15.82 H new ATOM 0 HE21 GLN B 49 -0.202 11.184 -2.401 1.00 20.67 H new ATOM 0 HE22 GLN B 49 0.862 12.491 -2.929 1.00 20.67 H new ATOM 2576 N LEU B 50 -3.265 11.262 -3.629 1.00 6.51 N ATOM 2577 CA LEU B 50 -4.117 12.424 -3.838 1.00 7.41 C ATOM 2578 C LEU B 50 -3.353 13.533 -4.549 1.00 8.27 C ATOM 2579 O LEU B 50 -2.236 13.880 -4.158 1.00 8.34 O ATOM 2580 CB LEU B 50 -4.669 12.936 -2.505 1.00 7.13 C ATOM 2581 CG LEU B 50 -5.420 11.901 -1.659 1.00 7.53 C ATOM 2582 CD1 LEU B 50 -6.173 12.581 -0.527 1.00 8.14 C ATOM 2583 CD2 LEU B 50 -6.376 11.089 -2.519 1.00 9.11 C ATOM 0 H LEU B 50 -2.888 11.177 -2.685 1.00 6.51 H new ATOM 0 HA LEU B 50 -4.953 12.120 -4.468 1.00 7.41 H new ATOM 0 HB2 LEU B 50 -3.840 13.329 -1.916 1.00 7.13 H new ATOM 0 HB3 LEU B 50 -5.340 13.771 -2.707 1.00 7.13 H new ATOM 0 HG LEU B 50 -4.686 11.220 -1.228 1.00 7.53 H new ATOM 0 HD11 LEU B 50 -6.700 11.830 0.062 1.00 8.14 H new ATOM 0 HD12 LEU B 50 -5.468 13.114 0.111 1.00 8.14 H new ATOM 0 HD13 LEU B 50 -6.892 13.287 -0.941 1.00 8.14 H new ATOM 0 HD21 LEU B 50 -6.897 10.362 -1.896 1.00 9.11 H new ATOM 0 HD22 LEU B 50 -7.103 11.755 -2.984 1.00 9.11 H new ATOM 0 HD23 LEU B 50 -5.814 10.567 -3.294 1.00 9.11 H new ATOM 2595 N GLU B 51 -3.963 14.076 -5.593 1.00 9.43 N ATOM 2596 CA GLU B 51 -3.356 15.149 -6.366 1.00 11.90 C ATOM 2597 C GLU B 51 -3.503 16.475 -5.626 1.00 11.49 C ATOM 2598 O GLU B 51 -4.453 16.669 -4.870 1.00 9.88 O ATOM 2599 CB GLU B 51 -4.004 15.240 -7.750 1.00 16.56 C ATOM 2600 CG GLU B 51 -4.021 13.923 -8.516 1.00 26.06 C ATOM 2601 CD GLU B 51 -5.061 13.910 -9.619 1.00 29.86 C ATOM 2602 OE1 GLU B 51 -4.746 14.331 -10.751 1.00 33.44 O ATOM 2603 OE2 GLU B 51 -6.215 13.500 -9.356 1.00 32.13 O ATOM 0 H GLU B 51 -4.883 13.788 -5.925 1.00 9.43 H new ATOM 0 HA GLU B 51 -2.295 14.933 -6.493 1.00 11.90 H new ATOM 0 HB2 GLU B 51 -5.028 15.596 -7.637 1.00 16.56 H new ATOM 0 HB3 GLU B 51 -3.471 15.985 -8.341 1.00 16.56 H new ATOM 0 HG2 GLU B 51 -3.036 13.744 -8.947 1.00 26.06 H new ATOM 0 HG3 GLU B 51 -4.220 13.105 -7.823 1.00 26.06 H new ATOM 2610 N ASP B 52 -2.568 17.382 -5.854 1.00 12.71 N ATOM 2611 CA ASP B 52 -2.581 18.684 -5.190 1.00 16.56 C ATOM 2612 C ASP B 52 -3.751 19.553 -5.644 1.00 15.83 C ATOM 2613 O ASP B 52 -4.430 20.175 -4.821 1.00 17.21 O ATOM 2614 CB ASP B 52 -1.267 19.422 -5.447 1.00 21.05 C ATOM 2615 CG ASP B 52 -0.240 19.182 -4.361 1.00 25.12 C ATOM 2616 OD1 ASP B 52 -0.373 18.192 -3.612 1.00 28.37 O ATOM 2617 OD2 ASP B 52 0.717 19.978 -4.251 1.00 25.82 O ATOM 0 H ASP B 52 -1.786 17.244 -6.495 1.00 12.71 H new ATOM 0 HA ASP B 52 -2.699 18.497 -4.123 1.00 16.56 H new ATOM 0 HB2 ASP B 52 -0.857 19.103 -6.405 1.00 21.05 H new ATOM 0 HB3 ASP B 52 -1.465 20.491 -5.525 1.00 21.05 H new ATOM 2622 N GLY B 53 -3.999 19.581 -6.949 1.00 15.00 N ATOM 2623 CA GLY B 53 -5.072 20.402 -7.487 1.00 11.77 C ATOM 2624 C GLY B 53 -6.429 19.722 -7.468 1.00 11.10 C ATOM 2625 O GLY B 53 -7.096 19.627 -8.502 1.00 11.25 O ATOM 0 H GLY B 53 -3.477 19.050 -7.646 1.00 15.00 H new ATOM 0 HA2 GLY B 53 -5.131 21.328 -6.914 1.00 11.77 H new ATOM 0 HA3 GLY B 53 -4.828 20.677 -8.513 1.00 11.77 H new ATOM 2629 N ARG B 54 -6.843 19.251 -6.297 1.00 8.53 N ATOM 2630 CA ARG B 54 -8.137 18.587 -6.140 1.00 9.05 C ATOM 2631 C ARG B 54 -8.808 19.053 -4.858 1.00 8.96 C ATOM 2632 O ARG B 54 -8.154 19.634 -3.993 1.00 11.60 O ATOM 2633 CB ARG B 54 -7.968 17.066 -6.080 1.00 7.97 C ATOM 2634 CG ARG B 54 -7.230 16.475 -7.265 1.00 9.62 C ATOM 2635 CD ARG B 54 -8.042 16.583 -8.540 1.00 12.20 C ATOM 2636 NE ARG B 54 -7.314 16.047 -9.684 1.00 18.23 N ATOM 2637 CZ ARG B 54 -7.321 16.590 -10.899 1.00 22.08 C ATOM 2638 NH1 ARG B 54 -8.103 17.629 -11.167 1.00 25.50 N ATOM 2639 NH2 ARG B 54 -6.556 16.075 -11.850 1.00 23.38 N ATOM 0 H ARG B 54 -6.299 19.316 -5.436 1.00 8.53 H new ATOM 0 HA ARG B 54 -8.752 18.846 -7.002 1.00 9.05 H new ATOM 0 HB2 ARG B 54 -7.432 16.807 -5.167 1.00 7.97 H new ATOM 0 HB3 ARG B 54 -8.953 16.605 -6.013 1.00 7.97 H new ATOM 0 HG2 ARG B 54 -6.278 16.990 -7.395 1.00 9.62 H new ATOM 0 HG3 ARG B 54 -7.002 15.428 -7.066 1.00 9.62 H new ATOM 0 HD2 ARG B 54 -8.982 16.044 -8.421 1.00 12.20 H new ATOM 0 HD3 ARG B 54 -8.294 17.627 -8.725 1.00 12.20 H new ATOM 0 HE ARG B 54 -6.763 15.200 -9.544 1.00 18.23 H new ATOM 0 HH11 ARG B 54 -8.704 18.016 -10.439 1.00 25.50 H new ATOM 0 HH12 ARG B 54 -8.103 18.040 -12.101 1.00 25.50 H new ATOM 0 HH21 ARG B 54 -5.967 15.267 -11.649 1.00 23.38 H new ATOM 0 HH22 ARG B 54 -6.556 16.486 -12.783 1.00 23.38 H new ATOM 2653 N THR B 55 -10.106 18.804 -4.735 1.00 9.05 N ATOM 2654 CA THR B 55 -10.833 19.176 -3.533 1.00 9.03 C ATOM 2655 C THR B 55 -11.209 17.925 -2.749 1.00 8.15 C ATOM 2656 O THR B 55 -11.089 16.808 -3.259 1.00 5.91 O ATOM 2657 CB THR B 55 -12.102 20.002 -3.842 1.00 11.15 C ATOM 2658 OG1 THR B 55 -12.949 19.301 -4.762 1.00 11.95 O ATOM 2659 CG2 THR B 55 -11.735 21.361 -4.417 1.00 11.71 C ATOM 0 H THR B 55 -10.672 18.348 -5.450 1.00 9.05 H new ATOM 0 HA THR B 55 -10.173 19.807 -2.937 1.00 9.03 H new ATOM 0 HB THR B 55 -12.641 20.150 -2.906 1.00 11.15 H new ATOM 0 HG1 THR B 55 -12.500 19.228 -5.630 1.00 11.95 H new ATOM 0 HG21 THR B 55 -12.644 21.925 -4.627 1.00 11.71 H new ATOM 0 HG22 THR B 55 -11.126 21.908 -3.697 1.00 11.71 H new ATOM 0 HG23 THR B 55 -11.171 21.225 -5.340 1.00 11.71 H new ATOM 2667 N LEU B 56 -11.660 18.107 -1.518 1.00 6.91 N ATOM 2668 CA LEU B 56 -12.035 16.983 -0.667 1.00 8.29 C ATOM 2669 C LEU B 56 -13.248 16.235 -1.219 1.00 8.05 C ATOM 2670 O LEU B 56 -13.315 15.004 -1.149 1.00 10.17 O ATOM 2671 CB LEU B 56 -12.322 17.471 0.752 1.00 6.60 C ATOM 2672 CG LEU B 56 -11.177 18.244 1.416 1.00 7.73 C ATOM 2673 CD1 LEU B 56 -11.591 18.727 2.794 1.00 9.85 C ATOM 2674 CD2 LEU B 56 -9.927 17.381 1.514 1.00 8.64 C ATOM 0 H LEU B 56 -11.776 19.022 -1.083 1.00 6.91 H new ATOM 0 HA LEU B 56 -11.196 16.288 -0.649 1.00 8.29 H new ATOM 0 HB2 LEU B 56 -13.205 18.109 0.729 1.00 6.60 H new ATOM 0 HB3 LEU B 56 -12.567 16.610 1.374 1.00 6.60 H new ATOM 0 HG LEU B 56 -10.949 19.111 0.796 1.00 7.73 H new ATOM 0 HD11 LEU B 56 -10.766 19.274 3.251 1.00 9.85 H new ATOM 0 HD12 LEU B 56 -12.456 19.384 2.705 1.00 9.85 H new ATOM 0 HD13 LEU B 56 -11.848 17.871 3.418 1.00 9.85 H new ATOM 0 HD21 LEU B 56 -9.128 17.951 1.988 1.00 8.64 H new ATOM 0 HD22 LEU B 56 -10.143 16.494 2.109 1.00 8.64 H new ATOM 0 HD23 LEU B 56 -9.614 17.080 0.514 1.00 8.64 H new ATOM 2686 N SER B 57 -14.194 16.973 -1.784 1.00 8.92 N ATOM 2687 CA SER B 57 -15.397 16.375 -2.345 1.00 9.00 C ATOM 2688 C SER B 57 -15.067 15.517 -3.563 1.00 9.44 C ATOM 2689 O SER B 57 -15.782 14.565 -3.877 1.00 10.91 O ATOM 2690 CB SER B 57 -16.386 17.473 -2.727 1.00 10.32 C ATOM 2691 OG SER B 57 -15.794 18.753 -2.572 1.00 13.59 O ATOM 0 H SER B 57 -14.151 17.989 -1.866 1.00 8.92 H new ATOM 0 HA SER B 57 -15.846 15.729 -1.591 1.00 9.00 H new ATOM 0 HB2 SER B 57 -16.707 17.337 -3.760 1.00 10.32 H new ATOM 0 HB3 SER B 57 -17.277 17.400 -2.104 1.00 10.32 H new ATOM 0 HG SER B 57 -16.441 19.445 -2.823 1.00 13.59 H new ATOM 2697 N ASP B 58 -13.963 15.843 -4.230 1.00 9.11 N ATOM 2698 CA ASP B 58 -13.539 15.105 -5.417 1.00 7.91 C ATOM 2699 C ASP B 58 -13.158 13.673 -5.063 1.00 9.12 C ATOM 2700 O ASP B 58 -13.301 12.761 -5.876 1.00 8.61 O ATOM 2701 CB ASP B 58 -12.354 15.797 -6.098 1.00 8.41 C ATOM 2702 CG ASP B 58 -12.771 16.979 -6.949 1.00 11.50 C ATOM 2703 OD1 ASP B 58 -13.771 16.866 -7.693 1.00 10.05 O ATOM 2704 OD2 ASP B 58 -12.093 18.028 -6.889 1.00 11.70 O ATOM 0 H ASP B 58 -13.346 16.612 -3.969 1.00 9.11 H new ATOM 0 HA ASP B 58 -14.382 15.085 -6.107 1.00 7.91 H new ATOM 0 HB2 ASP B 58 -11.650 16.134 -5.337 1.00 8.41 H new ATOM 0 HB3 ASP B 58 -11.827 15.075 -6.722 1.00 8.41 H new ATOM 2709 N TYR B 59 -12.678 13.477 -3.843 1.00 7.97 N ATOM 2710 CA TYR B 59 -12.283 12.150 -3.391 1.00 8.45 C ATOM 2711 C TYR B 59 -13.337 11.563 -2.459 1.00 10.98 C ATOM 2712 O TYR B 59 -13.102 10.547 -1.803 1.00 12.95 O ATOM 2713 CB TYR B 59 -10.921 12.204 -2.698 1.00 7.94 C ATOM 2714 CG TYR B 59 -9.778 12.486 -3.647 1.00 6.91 C ATOM 2715 CD1 TYR B 59 -9.439 11.580 -4.645 1.00 4.59 C ATOM 2716 CD2 TYR B 59 -9.036 13.656 -3.545 1.00 6.98 C ATOM 2717 CE1 TYR B 59 -8.397 11.832 -5.514 1.00 5.39 C ATOM 2718 CE2 TYR B 59 -7.992 13.916 -4.412 1.00 6.52 C ATOM 2719 CZ TYR B 59 -7.677 13.000 -5.394 1.00 6.76 C ATOM 2720 OH TYR B 59 -6.634 13.252 -6.259 1.00 7.63 O ATOM 0 H TYR B 59 -12.553 14.216 -3.151 1.00 7.97 H new ATOM 0 HA TYR B 59 -12.200 11.501 -4.263 1.00 8.45 H new ATOM 0 HB2 TYR B 59 -10.943 12.975 -1.928 1.00 7.94 H new ATOM 0 HB3 TYR B 59 -10.740 11.255 -2.194 1.00 7.94 H new ATOM 0 HD1 TYR B 59 -10.001 10.663 -4.742 1.00 4.59 H new ATOM 0 HD2 TYR B 59 -9.279 14.374 -2.776 1.00 6.98 H new ATOM 0 HE1 TYR B 59 -8.147 11.117 -6.284 1.00 5.39 H new ATOM 0 HE2 TYR B 59 -7.426 14.831 -4.321 1.00 6.52 H new ATOM 0 HH TYR B 59 -6.956 13.204 -7.183 1.00 7.63 H new ATOM 2730 N ASN B 60 -14.503 12.213 -2.423 1.00 12.38 N ATOM 2731 CA ASN B 60 -15.632 11.786 -1.589 1.00 13.94 C ATOM 2732 C ASN B 60 -15.250 11.756 -0.113 1.00 14.16 C ATOM 2733 O ASN B 60 -15.665 10.867 0.636 1.00 14.26 O ATOM 2734 CB ASN B 60 -16.152 10.412 -2.028 1.00 19.23 C ATOM 2735 CG ASN B 60 -17.185 10.501 -3.133 1.00 22.65 C ATOM 2736 OD1 ASN B 60 -17.909 11.491 -3.254 1.00 25.45 O ATOM 2737 ND2 ASN B 60 -17.262 9.465 -3.952 1.00 24.09 N ATOM 0 H ASN B 60 -14.692 13.052 -2.972 1.00 12.38 H new ATOM 0 HA ASN B 60 -16.429 12.517 -1.721 1.00 13.94 H new ATOM 0 HB2 ASN B 60 -15.314 9.803 -2.368 1.00 19.23 H new ATOM 0 HB3 ASN B 60 -16.588 9.902 -1.169 1.00 19.23 H new ATOM 0 HD21 ASN B 60 -17.938 9.468 -4.716 1.00 24.09 H new ATOM 0 HD22 ASN B 60 -16.645 8.663 -3.820 1.00 24.09 H new ATOM 2744 N ILE B 61 -14.468 12.737 0.306 1.00 11.08 N ATOM 2745 CA ILE B 61 -14.036 12.828 1.691 1.00 11.78 C ATOM 2746 C ILE B 61 -15.102 13.523 2.527 1.00 13.74 C ATOM 2747 O ILE B 61 -15.486 14.655 2.241 1.00 14.60 O ATOM 2748 CB ILE B 61 -12.698 13.590 1.812 1.00 11.80 C ATOM 2749 CG1 ILE B 61 -11.601 12.850 1.041 1.00 11.56 C ATOM 2750 CG2 ILE B 61 -12.305 13.763 3.275 1.00 13.29 C ATOM 2751 CD1 ILE B 61 -10.306 13.623 0.930 1.00 11.42 C ATOM 0 H ILE B 61 -14.119 13.483 -0.295 1.00 11.08 H new ATOM 0 HA ILE B 61 -13.886 11.814 2.063 1.00 11.78 H new ATOM 0 HB ILE B 61 -12.822 14.582 1.378 1.00 11.80 H new ATOM 0 HG12 ILE B 61 -11.404 11.897 1.533 1.00 11.56 H new ATOM 0 HG13 ILE B 61 -11.964 12.622 0.039 1.00 11.56 H new ATOM 0 HG21 ILE B 61 -11.360 14.302 3.336 1.00 13.29 H new ATOM 0 HG22 ILE B 61 -13.079 14.327 3.795 1.00 13.29 H new ATOM 0 HG23 ILE B 61 -12.195 12.784 3.740 1.00 13.29 H new ATOM 0 HD11 ILE B 61 -9.578 13.035 0.371 1.00 11.42 H new ATOM 0 HD12 ILE B 61 -10.487 14.564 0.411 1.00 11.42 H new ATOM 0 HD13 ILE B 61 -9.918 13.828 1.928 1.00 11.42 H new ATOM 2763 N GLN B 62 -15.586 12.828 3.548 1.00 13.97 N ATOM 2764 CA GLN B 62 -16.613 13.370 4.426 1.00 15.52 C ATOM 2765 C GLN B 62 -16.031 13.684 5.798 1.00 13.94 C ATOM 2766 O GLN B 62 -14.818 13.602 6.001 1.00 12.15 O ATOM 2767 CB GLN B 62 -17.762 12.371 4.576 1.00 19.53 C ATOM 2768 CG GLN B 62 -18.525 12.110 3.289 1.00 26.38 C ATOM 2769 CD GLN B 62 -18.724 10.630 3.032 1.00 30.61 C ATOM 2770 OE1 GLN B 62 -19.642 10.013 3.573 1.00 33.23 O ATOM 2771 NE2 GLN B 62 -17.873 10.048 2.201 1.00 32.71 N ATOM 0 H GLN B 62 -15.282 11.884 3.789 1.00 13.97 H new ATOM 0 HA GLN B 62 -16.991 14.290 3.981 1.00 15.52 H new ATOM 0 HB2 GLN B 62 -17.363 11.427 4.948 1.00 19.53 H new ATOM 0 HB3 GLN B 62 -18.457 12.742 5.329 1.00 19.53 H new ATOM 0 HG2 GLN B 62 -19.496 12.602 3.338 1.00 26.38 H new ATOM 0 HG3 GLN B 62 -17.985 12.553 2.452 1.00 26.38 H new ATOM 0 HE21 GLN B 62 -17.125 10.593 1.772 1.00 32.71 H new ATOM 0 HE22 GLN B 62 -17.965 9.054 1.990 1.00 32.71 H new ATOM 2780 N LYS B 63 -16.899 14.034 6.734 1.00 11.73 N ATOM 2781 CA LYS B 63 -16.479 14.348 8.091 1.00 11.97 C ATOM 2782 C LYS B 63 -15.960 13.097 8.799 1.00 10.41 C ATOM 2783 O LYS B 63 -16.420 11.986 8.530 1.00 9.59 O ATOM 2784 CB LYS B 63 -17.646 14.946 8.884 1.00 13.73 C ATOM 2785 CG LYS B 63 -18.913 14.110 8.824 1.00 16.98 C ATOM 2786 CD LYS B 63 -19.749 14.274 10.081 1.00 20.19 C ATOM 2787 CE LYS B 63 -20.984 13.397 10.035 1.00 23.42 C ATOM 2788 NZ LYS B 63 -21.605 13.247 11.376 1.00 25.97 N ATOM 0 H LYS B 63 -17.904 14.108 6.578 1.00 11.73 H new ATOM 0 HA LYS B 63 -15.672 15.079 8.037 1.00 11.97 H new ATOM 0 HB2 LYS B 63 -17.346 15.061 9.925 1.00 13.73 H new ATOM 0 HB3 LYS B 63 -17.861 15.944 8.502 1.00 13.73 H new ATOM 0 HG2 LYS B 63 -19.501 14.402 7.954 1.00 16.98 H new ATOM 0 HG3 LYS B 63 -18.651 13.060 8.694 1.00 16.98 H new ATOM 0 HD2 LYS B 63 -19.150 14.018 10.955 1.00 20.19 H new ATOM 0 HD3 LYS B 63 -20.044 15.317 10.191 1.00 20.19 H new ATOM 0 HE2 LYS B 63 -21.710 13.827 9.345 1.00 23.42 H new ATOM 0 HE3 LYS B 63 -20.718 12.414 9.646 1.00 23.42 H new ATOM 0 HZ1 LYS B 63 -22.447 12.640 11.303 1.00 25.97 H new ATOM 0 HZ2 LYS B 63 -20.921 12.813 12.029 1.00 25.97 H new ATOM 0 HZ3 LYS B 63 -21.883 14.182 11.737 1.00 25.97 H new ATOM 2802 N GLU B 64 -14.980 13.294 9.678 1.00 10.04 N ATOM 2803 CA GLU B 64 -14.378 12.211 10.456 1.00 10.94 C ATOM 2804 C GLU B 64 -13.650 11.196 9.571 1.00 9.74 C ATOM 2805 O GLU B 64 -13.462 10.041 9.958 1.00 9.42 O ATOM 2806 CB GLU B 64 -15.436 11.509 11.315 1.00 18.31 C ATOM 2807 CG GLU B 64 -15.620 12.148 12.679 1.00 24.16 C ATOM 2808 CD GLU B 64 -16.537 11.349 13.579 1.00 29.00 C ATOM 2809 OE1 GLU B 64 -16.204 10.186 13.892 1.00 31.72 O ATOM 2810 OE2 GLU B 64 -17.590 11.885 13.988 1.00 32.61 O ATOM 0 H GLU B 64 -14.579 14.212 9.872 1.00 10.04 H new ATOM 0 HA GLU B 64 -13.633 12.664 11.110 1.00 10.94 H new ATOM 0 HB2 GLU B 64 -16.389 11.518 10.785 1.00 18.31 H new ATOM 0 HB3 GLU B 64 -15.154 10.464 11.446 1.00 18.31 H new ATOM 0 HG2 GLU B 64 -14.648 12.254 13.160 1.00 24.16 H new ATOM 0 HG3 GLU B 64 -16.025 13.152 12.554 1.00 24.16 H new ATOM 2817 N SER B 65 -13.231 11.622 8.389 1.00 6.85 N ATOM 2818 CA SER B 65 -12.515 10.735 7.484 1.00 6.90 C ATOM 2819 C SER B 65 -11.040 10.675 7.860 1.00 4.72 C ATOM 2820 O SER B 65 -10.398 11.711 8.057 1.00 3.91 O ATOM 2821 CB SER B 65 -12.671 11.192 6.034 1.00 7.28 C ATOM 2822 OG SER B 65 -14.020 11.094 5.615 1.00 10.56 O ATOM 0 H SER B 65 -13.373 12.568 8.036 1.00 6.85 H new ATOM 0 HA SER B 65 -12.945 9.737 7.576 1.00 6.90 H new ATOM 0 HB2 SER B 65 -12.329 12.222 5.935 1.00 7.28 H new ATOM 0 HB3 SER B 65 -12.040 10.583 5.387 1.00 7.28 H new ATOM 0 HG SER B 65 -14.540 11.822 6.015 1.00 10.56 H new ATOM 2828 N THR B 66 -10.517 9.465 7.986 1.00 4.48 N ATOM 2829 CA THR B 66 -9.122 9.270 8.333 1.00 3.80 C ATOM 2830 C THR B 66 -8.265 9.143 7.074 1.00 4.60 C ATOM 2831 O THR B 66 -8.383 8.175 6.319 1.00 5.33 O ATOM 2832 CB THR B 66 -8.941 8.024 9.217 1.00 2.85 C ATOM 2833 OG1 THR B 66 -9.923 8.036 10.266 1.00 2.15 O ATOM 2834 CG2 THR B 66 -7.543 7.984 9.823 1.00 3.40 C ATOM 0 H THR B 66 -11.042 8.601 7.852 1.00 4.48 H new ATOM 0 HA THR B 66 -8.796 10.144 8.896 1.00 3.80 H new ATOM 0 HB THR B 66 -9.071 7.137 8.597 1.00 2.85 H new ATOM 0 HG1 THR B 66 -9.810 7.242 10.829 1.00 2.15 H new ATOM 0 HG21 THR B 66 -7.441 7.094 10.443 1.00 3.40 H new ATOM 0 HG22 THR B 66 -6.801 7.957 9.025 1.00 3.40 H new ATOM 0 HG23 THR B 66 -7.386 8.872 10.435 1.00 3.40 H new ATOM 2842 N LEU B 67 -7.425 10.139 6.846 1.00 4.17 N ATOM 2843 CA LEU B 67 -6.541 10.162 5.691 1.00 3.85 C ATOM 2844 C LEU B 67 -5.142 9.714 6.092 1.00 3.80 C ATOM 2845 O LEU B 67 -4.822 9.650 7.277 1.00 5.54 O ATOM 2846 CB LEU B 67 -6.475 11.572 5.092 1.00 7.18 C ATOM 2847 CG LEU B 67 -7.647 11.967 4.191 1.00 9.67 C ATOM 2848 CD1 LEU B 67 -8.845 12.410 5.017 1.00 8.12 C ATOM 2849 CD2 LEU B 67 -7.229 13.072 3.236 1.00 11.66 C ATOM 0 H LEU B 67 -7.336 10.953 7.454 1.00 4.17 H new ATOM 0 HA LEU B 67 -6.939 9.477 4.942 1.00 3.85 H new ATOM 0 HB2 LEU B 67 -6.411 12.291 5.909 1.00 7.18 H new ATOM 0 HB3 LEU B 67 -5.553 11.659 4.517 1.00 7.18 H new ATOM 0 HG LEU B 67 -7.939 11.091 3.611 1.00 9.67 H new ATOM 0 HD11 LEU B 67 -9.664 12.685 4.352 1.00 8.12 H new ATOM 0 HD12 LEU B 67 -9.163 11.593 5.665 1.00 8.12 H new ATOM 0 HD13 LEU B 67 -8.568 13.270 5.627 1.00 8.12 H new ATOM 0 HD21 LEU B 67 -8.073 13.343 2.601 1.00 11.66 H new ATOM 0 HD22 LEU B 67 -6.909 13.944 3.806 1.00 11.66 H new ATOM 0 HD23 LEU B 67 -6.405 12.723 2.614 1.00 11.66 H new ATOM 2861 N HIS B 68 -4.316 9.403 5.105 1.00 2.94 N ATOM 2862 CA HIS B 68 -2.947 8.974 5.359 1.00 4.17 C ATOM 2863 C HIS B 68 -1.964 9.999 4.814 1.00 5.32 C ATOM 2864 O HIS B 68 -2.069 10.413 3.659 1.00 7.70 O ATOM 2865 CB HIS B 68 -2.681 7.611 4.720 1.00 5.57 C ATOM 2866 CG HIS B 68 -2.525 6.499 5.711 1.00 9.95 C ATOM 2867 ND1 HIS B 68 -2.972 5.221 5.477 1.00 13.74 N ATOM 2868 CD2 HIS B 68 -1.971 6.478 6.948 1.00 12.79 C ATOM 2869 CE1 HIS B 68 -2.698 4.465 6.521 1.00 14.75 C ATOM 2870 NE2 HIS B 68 -2.090 5.198 7.430 1.00 16.30 N ATOM 0 H HIS B 68 -4.570 9.439 4.118 1.00 2.94 H new ATOM 0 HA HIS B 68 -2.812 8.887 6.437 1.00 4.17 H new ATOM 0 HB2 HIS B 68 -3.502 7.371 4.044 1.00 5.57 H new ATOM 0 HB3 HIS B 68 -1.777 7.674 4.114 1.00 5.57 H new ATOM 0 HD1 HIS B 68 -3.442 4.907 4.628 1.00 13.74 H new ATOM 0 HD2 HIS B 68 -1.519 7.314 7.460 1.00 12.79 H new ATOM 0 HE1 HIS B 68 -2.934 3.415 6.616 1.00 14.75 H new ATOM 0 HE2 HIS B 68 -1.763 4.870 8.339 1.00 16.30 H new ATOM 2879 N LEU B 69 -1.020 10.413 5.643 1.00 5.29 N ATOM 2880 CA LEU B 69 -0.027 11.392 5.228 1.00 3.97 C ATOM 2881 C LEU B 69 1.387 10.863 5.440 1.00 5.07 C ATOM 2882 O LEU B 69 1.803 10.593 6.569 1.00 4.34 O ATOM 2883 CB LEU B 69 -0.212 12.706 5.994 1.00 6.08 C ATOM 2884 CG LEU B 69 0.744 13.834 5.599 1.00 7.37 C ATOM 2885 CD1 LEU B 69 0.482 14.285 4.172 1.00 6.87 C ATOM 2886 CD2 LEU B 69 0.613 15.004 6.562 1.00 9.96 C ATOM 0 H LEU B 69 -0.920 10.088 6.605 1.00 5.29 H new ATOM 0 HA LEU B 69 -0.170 11.579 4.164 1.00 3.97 H new ATOM 0 HB2 LEU B 69 -1.235 13.052 5.848 1.00 6.08 H new ATOM 0 HB3 LEU B 69 -0.092 12.507 7.059 1.00 6.08 H new ATOM 0 HG LEU B 69 1.764 13.454 5.654 1.00 7.37 H new ATOM 0 HD11 LEU B 69 1.172 15.087 3.911 1.00 6.87 H new ATOM 0 HD12 LEU B 69 0.628 13.445 3.492 1.00 6.87 H new ATOM 0 HD13 LEU B 69 -0.543 14.646 4.087 1.00 6.87 H new ATOM 0 HD21 LEU B 69 1.300 15.797 6.266 1.00 9.96 H new ATOM 0 HD22 LEU B 69 -0.409 15.382 6.539 1.00 9.96 H new ATOM 0 HD23 LEU B 69 0.854 14.673 7.572 1.00 9.96 H new ATOM 2898 N VAL B 70 2.114 10.712 4.347 1.00 4.29 N ATOM 2899 CA VAL B 70 3.487 10.236 4.393 1.00 6.26 C ATOM 2900 C VAL B 70 4.423 11.355 3.950 1.00 9.22 C ATOM 2901 O VAL B 70 4.131 12.069 2.991 1.00 9.36 O ATOM 2902 CB VAL B 70 3.687 8.984 3.502 1.00 8.69 C ATOM 2903 CG1 VAL B 70 5.165 8.668 3.309 1.00 9.76 C ATOM 2904 CG2 VAL B 70 2.966 7.784 4.103 1.00 8.54 C ATOM 0 H VAL B 70 1.773 10.914 3.407 1.00 4.29 H new ATOM 0 HA VAL B 70 3.717 9.946 5.418 1.00 6.26 H new ATOM 0 HB VAL B 70 3.260 9.201 2.523 1.00 8.69 H new ATOM 0 HG11 VAL B 70 5.269 7.784 2.679 1.00 9.76 H new ATOM 0 HG12 VAL B 70 5.659 9.514 2.831 1.00 9.76 H new ATOM 0 HG13 VAL B 70 5.626 8.479 4.278 1.00 9.76 H new ATOM 0 HG21 VAL B 70 3.116 6.913 3.466 1.00 8.54 H new ATOM 0 HG22 VAL B 70 3.365 7.580 5.097 1.00 8.54 H new ATOM 0 HG23 VAL B 70 1.900 8.000 4.178 1.00 8.54 H new ATOM 2914 N LEU B 71 5.532 11.518 4.651 1.00 12.71 N ATOM 2915 CA LEU B 71 6.487 12.566 4.325 1.00 16.06 C ATOM 2916 C LEU B 71 7.623 12.021 3.471 1.00 18.09 C ATOM 2917 O LEU B 71 8.173 10.956 3.759 1.00 19.26 O ATOM 2918 CB LEU B 71 7.047 13.191 5.603 1.00 17.10 C ATOM 2919 CG LEU B 71 5.996 13.721 6.580 1.00 19.37 C ATOM 2920 CD1 LEU B 71 6.664 14.312 7.809 1.00 17.51 C ATOM 2921 CD2 LEU B 71 5.113 14.757 5.902 1.00 19.57 C ATOM 0 H LEU B 71 5.794 10.939 5.449 1.00 12.71 H new ATOM 0 HA LEU B 71 5.964 13.333 3.753 1.00 16.06 H new ATOM 0 HB2 LEU B 71 7.656 12.447 6.117 1.00 17.10 H new ATOM 0 HB3 LEU B 71 7.711 14.011 5.328 1.00 17.10 H new ATOM 0 HG LEU B 71 5.368 12.888 6.896 1.00 19.37 H new ATOM 0 HD11 LEU B 71 5.902 14.684 8.494 1.00 17.51 H new ATOM 0 HD12 LEU B 71 7.255 13.543 8.307 1.00 17.51 H new ATOM 0 HD13 LEU B 71 7.315 15.133 7.510 1.00 17.51 H new ATOM 0 HD21 LEU B 71 4.371 15.123 6.612 1.00 19.57 H new ATOM 0 HD22 LEU B 71 5.727 15.589 5.557 1.00 19.57 H new ATOM 0 HD23 LEU B 71 4.607 14.302 5.050 1.00 19.57 H new ATOM 2933 N ARG B 72 7.957 12.745 2.416 1.00 21.47 N ATOM 2934 CA ARG B 72 9.035 12.342 1.524 1.00 25.83 C ATOM 2935 C ARG B 72 10.380 12.573 2.198 1.00 27.74 C ATOM 2936 O ARG B 72 10.706 13.694 2.598 1.00 30.65 O ATOM 2937 CB ARG B 72 8.956 13.113 0.207 1.00 28.49 C ATOM 2938 CG ARG B 72 9.768 12.492 -0.919 1.00 31.79 C ATOM 2939 CD ARG B 72 9.280 12.963 -2.280 1.00 34.05 C ATOM 2940 NE ARG B 72 9.948 12.260 -3.375 1.00 35.08 N ATOM 2941 CZ ARG B 72 9.441 12.128 -4.599 1.00 34.67 C ATOM 2942 NH1 ARG B 72 8.274 12.684 -4.903 1.00 34.97 N ATOM 2943 NH2 ARG B 72 10.110 11.455 -5.527 1.00 35.02 N ATOM 0 H ARG B 72 7.497 13.617 2.155 1.00 21.47 H new ATOM 0 HA ARG B 72 8.931 11.280 1.304 1.00 25.83 H new ATOM 0 HB2 ARG B 72 7.913 13.178 -0.103 1.00 28.49 H new ATOM 0 HB3 ARG B 72 9.303 14.133 0.373 1.00 28.49 H new ATOM 0 HG2 ARG B 72 10.819 12.752 -0.798 1.00 31.79 H new ATOM 0 HG3 ARG B 72 9.700 11.406 -0.862 1.00 31.79 H new ATOM 0 HD2 ARG B 72 8.204 12.808 -2.353 1.00 34.05 H new ATOM 0 HD3 ARG B 72 9.455 14.035 -2.377 1.00 34.05 H new ATOM 0 HE ARG B 72 10.861 11.844 -3.189 1.00 35.08 H new ATOM 0 HH11 ARG B 72 7.763 13.215 -4.198 1.00 34.97 H new ATOM 0 HH12 ARG B 72 7.889 12.581 -5.842 1.00 34.97 H new ATOM 0 HH21 ARG B 72 11.014 11.038 -5.303 1.00 35.02 H new ATOM 0 HH22 ARG B 72 9.721 11.355 -6.464 1.00 35.02 H new ATOM 2957 N LEU B 73 11.152 11.507 2.329 1.00 28.93 N ATOM 2958 CA LEU B 73 12.455 11.579 2.967 1.00 30.76 C ATOM 2959 C LEU B 73 13.537 11.931 1.956 1.00 32.18 C ATOM 2960 O LEU B 73 13.844 11.147 1.056 1.00 32.31 O ATOM 2961 CB LEU B 73 12.783 10.246 3.647 1.00 30.53 C ATOM 2962 CG LEU B 73 11.821 9.834 4.763 1.00 30.16 C ATOM 2963 CD1 LEU B 73 12.161 8.441 5.267 1.00 29.57 C ATOM 2964 CD2 LEU B 73 11.861 10.846 5.897 1.00 29.11 C ATOM 0 H LEU B 73 10.896 10.576 2.000 1.00 28.93 H new ATOM 0 HA LEU B 73 12.423 12.366 3.721 1.00 30.76 H new ATOM 0 HB2 LEU B 73 12.794 9.462 2.890 1.00 30.53 H new ATOM 0 HB3 LEU B 73 13.790 10.304 4.060 1.00 30.53 H new ATOM 0 HG LEU B 73 10.808 9.813 4.362 1.00 30.16 H new ATOM 0 HD11 LEU B 73 11.468 8.162 6.061 1.00 29.57 H new ATOM 0 HD12 LEU B 73 12.080 7.728 4.447 1.00 29.57 H new ATOM 0 HD13 LEU B 73 13.179 8.433 5.655 1.00 29.57 H new ATOM 0 HD21 LEU B 73 11.171 10.539 6.683 1.00 29.11 H new ATOM 0 HD22 LEU B 73 12.872 10.899 6.301 1.00 29.11 H new ATOM 0 HD23 LEU B 73 11.569 11.826 5.520 1.00 29.11 H new ATOM 2976 N ARG B 74 14.104 13.120 2.107 1.00 33.82 N ATOM 2977 CA ARG B 74 15.160 13.585 1.221 1.00 35.33 C ATOM 2978 C ARG B 74 16.501 13.040 1.692 1.00 36.22 C ATOM 2979 O ARG B 74 17.443 12.896 0.911 1.00 36.70 O ATOM 2980 CB ARG B 74 15.206 15.115 1.189 1.00 36.91 C ATOM 2981 CG ARG B 74 13.876 15.771 0.850 1.00 38.62 C ATOM 2982 CD ARG B 74 13.469 15.505 -0.590 1.00 39.75 C ATOM 2983 NE ARG B 74 12.369 16.372 -1.012 1.00 41.13 N ATOM 2984 CZ ARG B 74 11.633 16.172 -2.102 1.00 41.91 C ATOM 2985 NH1 ARG B 74 11.876 15.137 -2.895 1.00 41.93 N ATOM 2986 NH2 ARG B 74 10.656 17.015 -2.401 1.00 42.75 N ATOM 0 H ARG B 74 13.848 13.783 2.839 1.00 33.82 H new ATOM 0 HA ARG B 74 14.952 13.224 0.214 1.00 35.33 H new ATOM 0 HB2 ARG B 74 15.540 15.478 2.161 1.00 36.91 H new ATOM 0 HB3 ARG B 74 15.951 15.430 0.458 1.00 36.91 H new ATOM 0 HG2 ARG B 74 13.104 15.396 1.522 1.00 38.62 H new ATOM 0 HG3 ARG B 74 13.948 16.846 1.015 1.00 38.62 H new ATOM 0 HD2 ARG B 74 14.326 15.661 -1.245 1.00 39.75 H new ATOM 0 HD3 ARG B 74 13.171 14.462 -0.697 1.00 39.75 H new ATOM 0 HE ARG B 74 12.152 17.183 -0.433 1.00 41.13 H new ATOM 0 HH11 ARG B 74 12.631 14.489 -2.671 1.00 41.93 H new ATOM 0 HH12 ARG B 74 11.308 14.989 -3.729 1.00 41.93 H new ATOM 0 HH21 ARG B 74 10.470 17.815 -1.796 1.00 42.75 H new ATOM 0 HH22 ARG B 74 10.090 16.864 -3.236 1.00 42.75 H new ATOM 3000 N GLY B 75 16.577 12.741 2.981 1.00 36.31 N ATOM 3001 CA GLY B 75 17.795 12.216 3.551 1.00 36.07 C ATOM 3002 C GLY B 75 17.834 10.704 3.494 1.00 36.16 C ATOM 3003 O GLY B 75 16.836 10.039 3.779 1.00 36.26 O ATOM 0 H GLY B 75 15.810 12.855 3.644 1.00 36.31 H new ATOM 0 HA2 GLY B 75 18.652 12.623 3.015 1.00 36.07 H new ATOM 0 HA3 GLY B 75 17.883 12.543 4.587 1.00 36.07 H new ATOM 3007 N GLY B 76 18.978 10.160 3.118 1.00 36.05 N ATOM 3008 CA GLY B 76 19.122 8.724 3.036 1.00 36.19 C ATOM 3009 C GLY B 76 20.346 8.248 3.777 1.00 36.20 C ATOM 3010 O GLY B 76 20.835 7.139 3.487 1.00 0.00 O ATOM 3011 OXT GLY B 76 20.839 8.996 4.650 1.00 0.00 O ATOM 0 H GLY B 76 19.813 10.689 2.867 1.00 36.05 H new ATOM 0 HA2 GLY B 76 18.235 8.244 3.450 1.00 36.19 H new ATOM 0 HA3 GLY B 76 19.188 8.423 1.990 1.00 36.19 H new TER 3015 GLY B 76