USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1096 hydrogens (48 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: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.48) USER MOD Set 2.1: A 29 TYR OH : rot 166:sc= 1.21 USER MOD Set 2.2: A 97 THR OG1 : rot 147:sc= 0.875 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0732 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-8.9!) USER MOD Single : A 38 SER OG : rot -69:sc= 1.06 USER MOD Single : A 47 ASN : amide:sc=-0.00832 X(o=-0.0083,f=-0.0098) USER MOD Single : A 53 THR OG1 : rot -30:sc= 1.55 USER MOD Single : A 54 SER OG : rot 180:sc= 0.146 USER MOD Single : A 57 CYS SG : rot -96:sc= 0.983 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc=-0.00467 X(o=-0.0047,f=-0.13) USER MOD Single : A 65 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.2!) USER MOD Single : A 67 SER OG : rot 121:sc= 1.08 USER MOD Single : A 69 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 111:sc= 1.19 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.767 USER MOD Single : A 80 ASN : amide:sc= -0.809 K(o=-0.81,f=-2.4!) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.0487 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.588 USER MOD Single : A 89 HIS : +bothHN:sc= 0.446 K(o=0.45,f=-4.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.23) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 150:sc= 0.743 (180deg=0.285) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0432 X(o=-0.043,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00272 USER MOD Single : A 124 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.042) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0.484 K(o=0.48,f=-2.3!) USER MOD Single : A 129 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN :FLIP amide:sc= 0.215 F(o=-0.3,f=0.22) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -1.391 -5.931 -5.914 1.00 13.00 N ATOM 2 CA GLY A 2 -1.321 -5.784 -7.356 1.00 45.03 C ATOM 3 C GLY A 2 -1.486 -4.345 -7.801 1.00 2.12 C ATOM 4 O GLY A 2 -0.506 -3.614 -7.937 1.00 41.14 O ATOM 0 HA2 GLY A 2 -0.362 -6.163 -7.711 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -2.096 -6.395 -7.818 1.00 45.03 H new ATOM 8 N ALA A 3 -2.730 -3.937 -8.030 1.00 12.12 N ATOM 9 CA ALA A 3 -3.021 -2.576 -8.462 1.00 14.32 C ATOM 10 C ALA A 3 -3.555 -1.736 -7.307 1.00 54.02 C ATOM 11 O ALA A 3 -4.599 -2.045 -6.734 1.00 21.33 O ATOM 12 CB ALA A 3 -4.014 -2.587 -9.614 1.00 21.04 C ATOM 0 H ALA A 3 -3.553 -4.530 -7.923 1.00 12.12 H new ATOM 0 HA ALA A 3 -2.090 -2.124 -8.805 1.00 14.32 H new ATOM 0 HB1 ALA A 3 -4.221 -1.563 -9.925 1.00 21.04 H new ATOM 0 HB2 ALA A 3 -3.593 -3.143 -10.452 1.00 21.04 H new ATOM 0 HB3 ALA A 3 -4.940 -3.063 -9.291 1.00 21.04 H new ATOM 18 N ARG A 4 -2.833 -0.671 -6.971 1.00 64.20 N ATOM 19 CA ARG A 4 -3.234 0.211 -5.883 1.00 35.30 C ATOM 20 C ARG A 4 -3.365 1.652 -6.372 1.00 31.14 C ATOM 21 O ARG A 4 -2.485 2.479 -6.137 1.00 53.12 O ATOM 22 CB ARG A 4 -2.222 0.140 -4.739 1.00 24.05 C ATOM 23 CG ARG A 4 -0.779 0.281 -5.193 1.00 53.14 C ATOM 24 CD ARG A 4 -0.033 1.318 -4.366 1.00 61.23 C ATOM 25 NE ARG A 4 1.411 1.107 -4.397 1.00 24.12 N ATOM 26 CZ ARG A 4 2.297 2.039 -4.063 1.00 21.10 C ATOM 27 NH1 ARG A 4 1.888 3.239 -3.676 1.00 12.05 N1+ ATOM 28 NH2 ARG A 4 3.596 1.771 -4.116 1.00 31.13 N ATOM 0 H ARG A 4 -1.968 -0.399 -7.437 1.00 64.20 H new ATOM 0 HA ARG A 4 -4.206 -0.122 -5.519 1.00 35.30 H new ATOM 0 HB2 ARG A 4 -2.446 0.926 -4.018 1.00 24.05 H new ATOM 0 HB3 ARG A 4 -2.339 -0.811 -4.220 1.00 24.05 H new ATOM 0 HG2 ARG A 4 -0.275 -0.682 -5.111 1.00 53.14 H new ATOM 0 HG3 ARG A 4 -0.754 0.566 -6.245 1.00 53.14 H new ATOM 0 HD2 ARG A 4 -0.262 2.315 -4.743 1.00 61.23 H new ATOM 0 HD3 ARG A 4 -0.383 1.279 -3.334 1.00 61.23 H new ATOM 0 HE ARG A 4 1.759 0.194 -4.691 1.00 24.12 H new ATOM 0 HH11 ARG A 4 0.891 3.449 -3.634 1.00 12.05 H new ATOM 0 HH12 ARG A 4 2.571 3.952 -3.420 1.00 12.05 H new ATOM 0 HH21 ARG A 4 3.915 0.849 -4.413 1.00 31.13 H new ATOM 0 HH22 ARG A 4 4.275 2.487 -3.859 1.00 31.13 H new ATOM 42 N ALA A 5 -4.468 1.942 -7.052 1.00 43.14 N ATOM 43 CA ALA A 5 -4.714 3.281 -7.573 1.00 54.13 C ATOM 44 C ALA A 5 -6.208 3.547 -7.721 1.00 22.42 C ATOM 45 O ALA A 5 -6.833 3.113 -8.689 1.00 42.34 O ATOM 46 CB ALA A 5 -4.008 3.467 -8.908 1.00 30.54 C ATOM 0 H ALA A 5 -5.206 1.268 -7.255 1.00 43.14 H new ATOM 0 HA ALA A 5 -4.312 4.000 -6.859 1.00 54.13 H new ATOM 0 HB1 ALA A 5 -4.201 4.471 -9.285 1.00 30.54 H new ATOM 0 HB2 ALA A 5 -2.935 3.329 -8.774 1.00 30.54 H new ATOM 0 HB3 ALA A 5 -4.382 2.734 -9.623 1.00 30.54 H new ATOM 52 N SER A 6 -6.777 4.262 -6.755 1.00 1.40 N ATOM 53 CA SER A 6 -8.200 4.581 -6.777 1.00 53.30 C ATOM 54 C SER A 6 -8.464 5.830 -7.612 1.00 53.42 C ATOM 55 O SER A 6 -8.061 6.934 -7.244 1.00 55.51 O ATOM 56 CB SER A 6 -8.719 4.786 -5.352 1.00 71.14 C ATOM 57 OG SER A 6 -9.292 3.595 -4.842 1.00 71.14 O ATOM 0 H SER A 6 -6.274 4.631 -5.948 1.00 1.40 H new ATOM 0 HA SER A 6 -8.729 3.744 -7.232 1.00 53.30 H new ATOM 0 HB2 SER A 6 -7.901 5.105 -4.706 1.00 71.14 H new ATOM 0 HB3 SER A 6 -9.462 5.583 -5.343 1.00 71.14 H new ATOM 0 HG SER A 6 -9.614 3.752 -3.930 1.00 71.14 H new ATOM 63 N VAL A 7 -9.143 5.649 -8.740 1.00 3.34 N ATOM 64 CA VAL A 7 -9.462 6.759 -9.627 1.00 61.53 C ATOM 65 C VAL A 7 -10.714 7.495 -9.159 1.00 44.41 C ATOM 66 O VAL A 7 -10.654 8.664 -8.777 1.00 43.24 O ATOM 67 CB VAL A 7 -9.675 6.277 -11.075 1.00 73.53 C ATOM 68 CG1 VAL A 7 -10.035 7.447 -11.980 1.00 5.22 C ATOM 69 CG2 VAL A 7 -8.434 5.560 -11.585 1.00 22.13 C ATOM 0 H VAL A 7 -9.483 4.742 -9.061 1.00 3.34 H new ATOM 0 HA VAL A 7 -8.612 7.440 -9.600 1.00 61.53 H new ATOM 0 HB VAL A 7 -10.505 5.571 -11.087 1.00 73.53 H new ATOM 0 HG11 VAL A 7 -10.182 7.087 -12.999 1.00 5.22 H new ATOM 0 HG12 VAL A 7 -10.954 7.913 -11.624 1.00 5.22 H new ATOM 0 HG13 VAL A 7 -9.228 8.179 -11.966 1.00 5.22 H new ATOM 0 HG21 VAL A 7 -8.602 5.226 -12.609 1.00 22.13 H new ATOM 0 HG22 VAL A 7 -7.584 6.242 -11.560 1.00 22.13 H new ATOM 0 HG23 VAL A 7 -8.226 4.698 -10.952 1.00 22.13 H new ATOM 79 N LEU A 8 -11.847 6.802 -9.191 1.00 54.03 N ATOM 80 CA LEU A 8 -13.114 7.389 -8.770 1.00 34.31 C ATOM 81 C LEU A 8 -13.669 6.665 -7.548 1.00 13.22 C ATOM 82 O LEU A 8 -13.938 5.464 -7.593 1.00 73.11 O ATOM 83 CB LEU A 8 -14.129 7.335 -9.913 1.00 14.40 C ATOM 84 CG LEU A 8 -13.783 8.155 -11.157 1.00 31.14 C ATOM 85 CD1 LEU A 8 -14.925 8.112 -12.159 1.00 3.15 C ATOM 86 CD2 LEU A 8 -13.459 9.592 -10.775 1.00 42.21 C ATOM 0 H LEU A 8 -11.914 5.834 -9.504 1.00 54.03 H new ATOM 0 HA LEU A 8 -12.933 8.430 -8.502 1.00 34.31 H new ATOM 0 HB2 LEU A 8 -14.255 6.294 -10.212 1.00 14.40 H new ATOM 0 HB3 LEU A 8 -15.092 7.676 -9.534 1.00 14.40 H new ATOM 0 HG LEU A 8 -12.901 7.717 -11.624 1.00 31.14 H new ATOM 0 HD11 LEU A 8 -14.661 8.701 -13.037 1.00 3.15 H new ATOM 0 HD12 LEU A 8 -15.110 7.080 -12.456 1.00 3.15 H new ATOM 0 HD13 LEU A 8 -15.825 8.525 -11.703 1.00 3.15 H new ATOM 0 HD21 LEU A 8 -13.215 10.161 -11.672 1.00 42.21 H new ATOM 0 HD22 LEU A 8 -14.322 10.041 -10.284 1.00 42.21 H new ATOM 0 HD23 LEU A 8 -12.607 9.604 -10.095 1.00 42.21 H new ATOM 98 N SER A 9 -13.841 7.404 -6.456 1.00 14.55 N ATOM 99 CA SER A 9 -14.362 6.832 -5.220 1.00 23.25 C ATOM 100 C SER A 9 -15.839 6.476 -5.367 1.00 52.03 C ATOM 101 O SER A 9 -16.407 6.575 -6.453 1.00 42.04 O ATOM 102 CB SER A 9 -14.176 7.813 -4.060 1.00 25.21 C ATOM 103 OG SER A 9 -15.346 8.584 -3.852 1.00 13.23 O ATOM 0 H SER A 9 -13.627 8.400 -6.402 1.00 14.55 H new ATOM 0 HA SER A 9 -13.805 5.920 -5.008 1.00 23.25 H new ATOM 0 HB2 SER A 9 -13.932 7.264 -3.151 1.00 25.21 H new ATOM 0 HB3 SER A 9 -13.334 8.473 -4.269 1.00 25.21 H new ATOM 0 HG SER A 9 -15.202 9.202 -3.105 1.00 13.23 H new ATOM 109 N GLY A 10 -16.454 6.061 -4.264 1.00 2.25 N ATOM 110 CA GLY A 10 -17.859 5.696 -4.290 1.00 53.53 C ATOM 111 C GLY A 10 -18.734 6.799 -4.853 1.00 14.42 C ATOM 112 O GLY A 10 -19.549 6.561 -5.742 1.00 31.32 O ATOM 0 H GLY A 10 -16.005 5.971 -3.353 1.00 2.25 H new ATOM 0 HA2 GLY A 10 -17.986 4.794 -4.889 1.00 53.53 H new ATOM 0 HA3 GLY A 10 -18.188 5.456 -3.279 1.00 53.53 H new ATOM 116 N GLY A 11 -18.565 8.011 -4.330 1.00 5.13 N ATOM 117 CA GLY A 11 -19.355 9.135 -4.797 1.00 11.35 C ATOM 118 C GLY A 11 -19.102 9.455 -6.256 1.00 60.44 C ATOM 119 O GLY A 11 -20.042 9.599 -7.038 1.00 11.10 O ATOM 0 H GLY A 11 -17.896 8.233 -3.593 1.00 5.13 H new ATOM 0 HA2 GLY A 11 -20.413 8.915 -4.655 1.00 11.35 H new ATOM 0 HA3 GLY A 11 -19.127 10.012 -4.191 1.00 11.35 H new ATOM 123 N GLU A 12 -17.830 9.568 -6.624 1.00 41.11 N ATOM 124 CA GLU A 12 -17.458 9.876 -8.001 1.00 23.23 C ATOM 125 C GLU A 12 -17.986 8.811 -8.958 1.00 63.21 C ATOM 126 O GLU A 12 -18.451 9.122 -10.055 1.00 23.21 O ATOM 127 CB GLU A 12 -15.937 9.983 -8.129 1.00 73.24 C ATOM 128 CG GLU A 12 -15.294 10.841 -7.052 1.00 31.35 C ATOM 129 CD GLU A 12 -13.821 11.091 -7.307 1.00 74.32 C ATOM 130 OE1 GLU A 12 -13.009 10.184 -7.027 1.00 50.23 O ATOM 131 OE2 GLU A 12 -13.480 12.193 -7.785 1.00 30.02 O1- ATOM 0 H GLU A 12 -17.040 9.451 -5.989 1.00 41.11 H new ATOM 0 HA GLU A 12 -17.907 10.833 -8.267 1.00 23.23 H new ATOM 0 HB2 GLU A 12 -15.506 8.982 -8.090 1.00 73.24 H new ATOM 0 HB3 GLU A 12 -15.691 10.398 -9.107 1.00 73.24 H new ATOM 0 HG2 GLU A 12 -15.816 11.796 -6.994 1.00 31.35 H new ATOM 0 HG3 GLU A 12 -15.414 10.353 -6.085 1.00 31.35 H new ATOM 138 N LEU A 13 -17.909 7.554 -8.535 1.00 3.41 N ATOM 139 CA LEU A 13 -18.379 6.442 -9.355 1.00 1.32 C ATOM 140 C LEU A 13 -19.854 6.607 -9.704 1.00 72.34 C ATOM 141 O LEU A 13 -20.288 6.240 -10.796 1.00 30.13 O ATOM 142 CB LEU A 13 -18.162 5.116 -8.622 1.00 71.12 C ATOM 143 CG LEU A 13 -18.115 3.865 -9.499 1.00 42.21 C ATOM 144 CD1 LEU A 13 -17.571 2.682 -8.713 1.00 0.41 C ATOM 145 CD2 LEU A 13 -19.497 3.549 -10.052 1.00 65.31 C ATOM 0 H LEU A 13 -17.526 7.279 -7.630 1.00 3.41 H new ATOM 0 HA LEU A 13 -17.804 6.438 -10.281 1.00 1.32 H new ATOM 0 HB2 LEU A 13 -17.227 5.180 -8.065 1.00 71.12 H new ATOM 0 HB3 LEU A 13 -18.961 4.993 -7.891 1.00 71.12 H new ATOM 0 HG LEU A 13 -17.445 4.058 -10.337 1.00 42.21 H new ATOM 0 HD11 LEU A 13 -17.545 1.801 -9.354 1.00 0.41 H new ATOM 0 HD12 LEU A 13 -16.563 2.908 -8.366 1.00 0.41 H new ATOM 0 HD13 LEU A 13 -18.215 2.488 -7.855 1.00 0.41 H new ATOM 0 HD21 LEU A 13 -19.444 2.655 -10.674 1.00 65.31 H new ATOM 0 HD22 LEU A 13 -20.188 3.377 -9.227 1.00 65.31 H new ATOM 0 HD23 LEU A 13 -19.850 4.388 -10.652 1.00 65.31 H new ATOM 157 N ASP A 14 -20.619 7.165 -8.771 1.00 2.22 N ATOM 158 CA ASP A 14 -22.045 7.382 -8.982 1.00 75.51 C ATOM 159 C ASP A 14 -22.283 8.326 -10.156 1.00 0.50 C ATOM 160 O ASP A 14 -22.903 7.952 -11.152 1.00 45.32 O ATOM 161 CB ASP A 14 -22.688 7.952 -7.716 1.00 0.34 C ATOM 162 CG ASP A 14 -24.170 7.644 -7.632 1.00 34.13 C ATOM 163 OD1 ASP A 14 -24.965 8.382 -8.251 1.00 12.11 O ATOM 164 OD2 ASP A 14 -24.535 6.666 -6.946 1.00 13.03 O1- ATOM 0 H ASP A 14 -20.275 7.475 -7.862 1.00 2.22 H new ATOM 0 HA ASP A 14 -22.504 6.421 -9.213 1.00 75.51 H new ATOM 0 HB2 ASP A 14 -22.184 7.543 -6.840 1.00 0.34 H new ATOM 0 HB3 ASP A 14 -22.542 9.032 -7.692 1.00 0.34 H new ATOM 169 N LYS A 15 -21.788 9.553 -10.033 1.00 31.21 N ATOM 170 CA LYS A 15 -21.946 10.552 -11.084 1.00 11.23 C ATOM 171 C LYS A 15 -21.266 10.099 -12.371 1.00 64.31 C ATOM 172 O LYS A 15 -21.701 10.448 -13.469 1.00 40.44 O ATOM 173 CB LYS A 15 -21.364 11.893 -10.632 1.00 20.34 C ATOM 174 CG LYS A 15 -22.307 12.702 -9.758 1.00 51.31 C ATOM 175 CD LYS A 15 -23.492 13.225 -10.551 1.00 25.43 C ATOM 176 CE LYS A 15 -24.191 14.363 -9.825 1.00 73.22 C ATOM 177 NZ LYS A 15 -25.306 13.874 -8.968 1.00 71.24 N1+ ATOM 0 H LYS A 15 -21.274 9.880 -9.215 1.00 31.21 H new ATOM 0 HA LYS A 15 -23.011 10.672 -11.280 1.00 11.23 H new ATOM 0 HB2 LYS A 15 -20.439 11.712 -10.084 1.00 20.34 H new ATOM 0 HB3 LYS A 15 -21.103 12.481 -11.512 1.00 20.34 H new ATOM 0 HG2 LYS A 15 -22.664 12.082 -8.935 1.00 51.31 H new ATOM 0 HG3 LYS A 15 -21.766 13.539 -9.316 1.00 51.31 H new ATOM 0 HD2 LYS A 15 -23.153 13.569 -11.528 1.00 25.43 H new ATOM 0 HD3 LYS A 15 -24.200 12.415 -10.726 1.00 25.43 H new ATOM 0 HE2 LYS A 15 -23.468 14.899 -9.210 1.00 73.22 H new ATOM 0 HE3 LYS A 15 -24.579 15.075 -10.554 1.00 73.22 H new ATOM 0 HZ1 LYS A 15 -25.756 14.681 -8.491 1.00 71.24 H new ATOM 0 HZ2 LYS A 15 -26.009 13.385 -9.558 1.00 71.24 H new ATOM 0 HZ3 LYS A 15 -24.933 13.215 -8.256 1.00 71.24 H new ATOM 191 N TRP A 16 -20.200 9.319 -12.230 1.00 62.31 N ATOM 192 CA TRP A 16 -19.463 8.816 -13.383 1.00 54.32 C ATOM 193 C TRP A 16 -20.344 7.920 -14.246 1.00 54.13 C ATOM 194 O TRP A 16 -20.469 8.133 -15.451 1.00 52.54 O ATOM 195 CB TRP A 16 -18.223 8.046 -12.926 1.00 31.44 C ATOM 196 CG TRP A 16 -17.509 7.350 -14.044 1.00 3.13 C ATOM 197 CD1 TRP A 16 -17.639 6.041 -14.411 1.00 64.34 C ATOM 198 CD2 TRP A 16 -16.553 7.926 -14.940 1.00 71.12 C ATOM 199 NE1 TRP A 16 -16.822 5.769 -15.481 1.00 40.32 N ATOM 200 CE2 TRP A 16 -16.145 6.910 -15.825 1.00 65.42 C ATOM 201 CE3 TRP A 16 -16.004 9.204 -15.083 1.00 0.42 C ATOM 202 CZ2 TRP A 16 -15.213 7.131 -16.835 1.00 60.43 C ATOM 203 CZ3 TRP A 16 -15.078 9.422 -16.086 1.00 71.40 C ATOM 204 CH2 TRP A 16 -14.691 8.391 -16.952 1.00 24.41 C ATOM 0 H TRP A 16 -19.827 9.021 -11.329 1.00 62.31 H new ATOM 0 HA TRP A 16 -19.151 9.671 -13.983 1.00 54.32 H new ATOM 0 HB2 TRP A 16 -17.534 8.737 -12.439 1.00 31.44 H new ATOM 0 HB3 TRP A 16 -18.517 7.309 -12.178 1.00 31.44 H new ATOM 0 HD1 TRP A 16 -18.289 5.325 -13.930 1.00 64.34 H new ATOM 0 HE1 TRP A 16 -16.733 4.865 -15.944 1.00 40.32 H new ATOM 0 HE3 TRP A 16 -16.298 10.006 -14.422 1.00 0.42 H new ATOM 0 HZ2 TRP A 16 -14.913 6.337 -17.502 1.00 60.43 H new ATOM 0 HZ3 TRP A 16 -14.645 10.404 -16.204 1.00 71.40 H new ATOM 0 HH2 TRP A 16 -13.967 8.594 -17.727 1.00 24.41 H new ATOM 215 N GLU A 17 -20.953 6.918 -13.620 1.00 44.32 N ATOM 216 CA GLU A 17 -21.823 5.989 -14.333 1.00 14.31 C ATOM 217 C GLU A 17 -22.984 6.729 -14.992 1.00 32.04 C ATOM 218 O GLU A 17 -23.544 6.267 -15.986 1.00 72.01 O ATOM 219 CB GLU A 17 -22.360 4.922 -13.377 1.00 14.32 C ATOM 220 CG GLU A 17 -21.547 3.638 -13.381 1.00 24.24 C ATOM 221 CD GLU A 17 -22.406 2.405 -13.179 1.00 21.24 C ATOM 222 OE1 GLU A 17 -23.281 2.145 -14.032 1.00 13.21 O ATOM 223 OE2 GLU A 17 -22.205 1.700 -12.168 1.00 23.04 O1- ATOM 0 H GLU A 17 -20.860 6.729 -12.622 1.00 44.32 H new ATOM 0 HA GLU A 17 -21.234 5.504 -15.112 1.00 14.31 H new ATOM 0 HB2 GLU A 17 -22.378 5.328 -12.366 1.00 14.32 H new ATOM 0 HB3 GLU A 17 -23.391 4.691 -13.646 1.00 14.32 H new ATOM 0 HG2 GLU A 17 -21.013 3.553 -14.327 1.00 24.24 H new ATOM 0 HG3 GLU A 17 -20.795 3.686 -12.593 1.00 24.24 H new ATOM 230 N LYS A 18 -23.341 7.878 -14.429 1.00 53.21 N ATOM 231 CA LYS A 18 -24.434 8.683 -14.961 1.00 33.25 C ATOM 232 C LYS A 18 -24.023 9.372 -16.257 1.00 64.44 C ATOM 233 O LYS A 18 -24.713 9.265 -17.273 1.00 14.51 O ATOM 234 CB LYS A 18 -24.871 9.729 -13.931 1.00 62.04 C ATOM 235 CG LYS A 18 -26.377 9.811 -13.749 1.00 3.11 C ATOM 236 CD LYS A 18 -26.744 10.453 -12.422 1.00 0.24 C ATOM 237 CE LYS A 18 -28.251 10.491 -12.220 1.00 75.20 C ATOM 238 NZ LYS A 18 -28.666 9.749 -10.997 1.00 43.20 N1+ ATOM 0 H LYS A 18 -22.889 8.273 -13.604 1.00 53.21 H new ATOM 0 HA LYS A 18 -25.271 8.018 -15.174 1.00 33.25 H new ATOM 0 HB2 LYS A 18 -24.410 9.497 -12.971 1.00 62.04 H new ATOM 0 HB3 LYS A 18 -24.497 10.706 -14.236 1.00 62.04 H new ATOM 0 HG2 LYS A 18 -26.812 10.387 -14.566 1.00 3.11 H new ATOM 0 HG3 LYS A 18 -26.806 8.810 -13.801 1.00 3.11 H new ATOM 0 HD2 LYS A 18 -26.280 9.897 -11.607 1.00 0.24 H new ATOM 0 HD3 LYS A 18 -26.345 11.467 -12.384 1.00 0.24 H new ATOM 0 HE2 LYS A 18 -28.581 11.527 -12.146 1.00 75.20 H new ATOM 0 HE3 LYS A 18 -28.745 10.061 -13.091 1.00 75.20 H new ATOM 0 HZ1 LYS A 18 -29.700 9.799 -10.895 1.00 43.20 H new ATOM 0 HZ2 LYS A 18 -28.373 8.754 -11.078 1.00 43.20 H new ATOM 0 HZ3 LYS A 18 -28.215 10.175 -10.163 1.00 43.20 H new ATOM 252 N ILE A 19 -22.897 10.076 -16.218 1.00 31.30 N ATOM 253 CA ILE A 19 -22.394 10.779 -17.391 1.00 40.31 C ATOM 254 C ILE A 19 -22.316 9.849 -18.597 1.00 63.13 C ATOM 255 O ILE A 19 -21.991 8.669 -18.464 1.00 54.52 O ATOM 256 CB ILE A 19 -21.001 11.383 -17.131 1.00 33.32 C ATOM 257 CG1 ILE A 19 -21.054 12.351 -15.948 1.00 52.11 C ATOM 258 CG2 ILE A 19 -20.490 12.089 -18.377 1.00 42.53 C ATOM 259 CD1 ILE A 19 -19.905 12.183 -14.978 1.00 61.55 C ATOM 0 H ILE A 19 -22.315 10.175 -15.386 1.00 31.30 H new ATOM 0 HA ILE A 19 -23.097 11.585 -17.602 1.00 40.31 H new ATOM 0 HB ILE A 19 -20.311 10.576 -16.885 1.00 33.32 H new ATOM 0 HG12 ILE A 19 -21.054 13.374 -16.325 1.00 52.11 H new ATOM 0 HG13 ILE A 19 -21.994 12.208 -15.414 1.00 52.11 H new ATOM 0 HG21 ILE A 19 -19.505 12.511 -18.178 1.00 42.53 H new ATOM 0 HG22 ILE A 19 -20.420 11.374 -19.197 1.00 42.53 H new ATOM 0 HG23 ILE A 19 -21.178 12.889 -18.650 1.00 42.53 H new ATOM 0 HD11 ILE A 19 -20.007 12.902 -14.165 1.00 61.55 H new ATOM 0 HD12 ILE A 19 -19.916 11.171 -14.572 1.00 61.55 H new ATOM 0 HD13 ILE A 19 -18.962 12.355 -15.497 1.00 61.55 H new ATOM 271 N ARG A 20 -22.614 10.389 -19.775 1.00 33.15 N ATOM 272 CA ARG A 20 -22.577 9.608 -21.005 1.00 33.31 C ATOM 273 C ARG A 20 -21.379 10.003 -21.864 1.00 15.10 C ATOM 274 O ARG A 20 -20.900 11.136 -21.795 1.00 41.11 O ATOM 275 CB ARG A 20 -23.871 9.801 -21.796 1.00 70.54 C ATOM 276 CG ARG A 20 -25.021 8.936 -21.305 1.00 51.01 C ATOM 277 CD ARG A 20 -26.348 9.388 -21.892 1.00 70.41 C ATOM 278 NE ARG A 20 -27.072 10.278 -20.988 1.00 23.23 N ATOM 279 CZ ARG A 20 -27.800 9.850 -19.962 1.00 30.31 C ATOM 280 NH1 ARG A 20 -27.900 8.553 -19.712 1.00 25.04 N1+ ATOM 281 NH2 ARG A 20 -28.429 10.722 -19.185 1.00 33.33 N ATOM 0 H ARG A 20 -22.884 11.364 -19.903 1.00 33.15 H new ATOM 0 HA ARG A 20 -22.478 8.557 -20.735 1.00 33.31 H new ATOM 0 HB2 ARG A 20 -24.167 10.849 -21.742 1.00 70.54 H new ATOM 0 HB3 ARG A 20 -23.682 9.577 -22.846 1.00 70.54 H new ATOM 0 HG2 ARG A 20 -24.837 7.896 -21.576 1.00 51.01 H new ATOM 0 HG3 ARG A 20 -25.070 8.978 -20.217 1.00 51.01 H new ATOM 0 HD2 ARG A 20 -26.170 9.899 -22.838 1.00 70.41 H new ATOM 0 HD3 ARG A 20 -26.963 8.515 -22.111 1.00 70.41 H new ATOM 0 HE ARG A 20 -27.016 11.283 -21.153 1.00 23.23 H new ATOM 0 HH11 ARG A 20 -27.418 7.880 -20.308 1.00 25.04 H new ATOM 0 HH12 ARG A 20 -28.459 8.227 -18.924 1.00 25.04 H new ATOM 0 HH21 ARG A 20 -28.354 11.721 -19.375 1.00 33.33 H new ATOM 0 HH22 ARG A 20 -28.988 10.393 -18.398 1.00 33.33 H new ATOM 295 N LEU A 21 -20.900 9.063 -22.671 1.00 35.11 N ATOM 296 CA LEU A 21 -19.758 9.312 -23.543 1.00 75.54 C ATOM 297 C LEU A 21 -20.112 10.325 -24.627 1.00 71.31 C ATOM 298 O LEU A 21 -19.310 11.198 -24.961 1.00 74.51 O ATOM 299 CB LEU A 21 -19.285 8.006 -24.183 1.00 62.24 C ATOM 300 CG LEU A 21 -19.055 6.835 -23.228 1.00 0.25 C ATOM 301 CD1 LEU A 21 -19.503 5.530 -23.866 1.00 1.03 C ATOM 302 CD2 LEU A 21 -17.590 6.758 -22.822 1.00 63.43 C ATOM 0 H LEU A 21 -21.285 8.121 -22.740 1.00 35.11 H new ATOM 0 HA LEU A 21 -18.952 9.724 -22.936 1.00 75.54 H new ATOM 0 HB2 LEU A 21 -20.021 7.702 -24.927 1.00 62.24 H new ATOM 0 HB3 LEU A 21 -18.355 8.202 -24.716 1.00 62.24 H new ATOM 0 HG LEU A 21 -19.652 7.000 -22.331 1.00 0.25 H new ATOM 0 HD11 LEU A 21 -19.332 4.708 -23.171 1.00 1.03 H new ATOM 0 HD12 LEU A 21 -20.565 5.588 -24.105 1.00 1.03 H new ATOM 0 HD13 LEU A 21 -18.934 5.358 -24.780 1.00 1.03 H new ATOM 0 HD21 LEU A 21 -17.445 5.919 -22.142 1.00 63.43 H new ATOM 0 HD22 LEU A 21 -16.973 6.617 -23.710 1.00 63.43 H new ATOM 0 HD23 LEU A 21 -17.302 7.683 -22.323 1.00 63.43 H new ATOM 314 N ARG A 22 -21.318 10.204 -25.171 1.00 44.23 N ATOM 315 CA ARG A 22 -21.779 11.109 -26.218 1.00 14.52 C ATOM 316 C ARG A 22 -23.080 11.793 -25.810 1.00 50.02 C ATOM 317 O ARG A 22 -23.840 11.292 -24.980 1.00 55.24 O ATOM 318 CB ARG A 22 -21.979 10.348 -27.530 1.00 15.41 C ATOM 319 CG ARG A 22 -20.754 10.357 -28.432 1.00 20.55 C ATOM 320 CD ARG A 22 -21.088 9.853 -29.827 1.00 73.33 C ATOM 321 NE ARG A 22 -20.018 10.134 -30.780 1.00 73.34 N ATOM 322 CZ ARG A 22 -19.769 11.345 -31.269 1.00 21.45 C ATOM 323 NH1 ARG A 22 -20.509 12.380 -30.896 1.00 2.03 N1+ ATOM 324 NH2 ARG A 22 -18.778 11.521 -32.133 1.00 51.12 N ATOM 0 H ARG A 22 -21.994 9.488 -24.904 1.00 44.23 H new ATOM 0 HA ARG A 22 -21.016 11.874 -26.364 1.00 14.52 H new ATOM 0 HB2 ARG A 22 -22.246 9.316 -27.304 1.00 15.41 H new ATOM 0 HB3 ARG A 22 -22.820 10.784 -28.069 1.00 15.41 H new ATOM 0 HG2 ARG A 22 -20.354 11.369 -28.495 1.00 20.55 H new ATOM 0 HG3 ARG A 22 -19.974 9.733 -27.995 1.00 20.55 H new ATOM 0 HD2 ARG A 22 -21.269 8.779 -29.791 1.00 73.33 H new ATOM 0 HD3 ARG A 22 -22.011 10.320 -30.170 1.00 73.33 H new ATOM 0 HE ARG A 22 -19.430 9.359 -31.087 1.00 73.34 H new ATOM 0 HH11 ARG A 22 -21.272 12.248 -30.232 1.00 2.03 H new ATOM 0 HH12 ARG A 22 -20.315 13.308 -31.273 1.00 2.03 H new ATOM 0 HH21 ARG A 22 -18.207 10.727 -32.422 1.00 51.12 H new ATOM 0 HH22 ARG A 22 -18.587 12.450 -32.508 1.00 51.12 H new ATOM 338 N PRO A 23 -23.345 12.965 -26.406 1.00 63.44 N ATOM 339 CA PRO A 23 -24.555 13.742 -26.122 1.00 64.11 C ATOM 340 C PRO A 23 -25.815 13.071 -26.660 1.00 74.32 C ATOM 341 O PRO A 23 -26.888 13.178 -26.067 1.00 51.13 O ATOM 342 CB PRO A 23 -24.304 15.067 -26.846 1.00 10.23 C ATOM 343 CG PRO A 23 -23.352 14.726 -27.941 1.00 20.44 C ATOM 344 CD PRO A 23 -22.485 13.621 -27.406 1.00 13.31 C ATOM 0 HA PRO A 23 -24.727 13.852 -25.051 1.00 64.11 H new ATOM 0 HB2 PRO A 23 -25.230 15.483 -27.242 1.00 10.23 H new ATOM 0 HB3 PRO A 23 -23.882 15.813 -26.172 1.00 10.23 H new ATOM 0 HG2 PRO A 23 -23.885 14.405 -28.836 1.00 20.44 H new ATOM 0 HG3 PRO A 23 -22.752 15.592 -28.221 1.00 20.44 H new ATOM 0 HD2 PRO A 23 -22.185 12.929 -28.193 1.00 13.31 H new ATOM 0 HD3 PRO A 23 -21.571 14.009 -26.957 1.00 13.31 H new ATOM 352 N GLY A 24 -25.677 12.380 -27.787 1.00 12.24 N ATOM 353 CA GLY A 24 -26.812 11.701 -28.384 1.00 73.41 C ATOM 354 C GLY A 24 -26.746 10.197 -28.211 1.00 41.11 C ATOM 355 O GLY A 24 -27.758 9.506 -28.326 1.00 75.43 O ATOM 0 H GLY A 24 -24.800 12.278 -28.297 1.00 12.24 H new ATOM 0 HA2 GLY A 24 -27.732 12.075 -27.935 1.00 73.41 H new ATOM 0 HA3 GLY A 24 -26.856 11.940 -29.447 1.00 73.41 H new ATOM 359 N GLY A 25 -25.550 9.686 -27.935 1.00 72.12 N ATOM 360 CA GLY A 25 -25.378 8.257 -27.752 1.00 53.01 C ATOM 361 C GLY A 25 -26.347 7.681 -26.740 1.00 33.31 C ATOM 362 O GLY A 25 -27.022 8.422 -26.024 1.00 31.15 O ATOM 0 H GLY A 25 -24.697 10.236 -27.835 1.00 72.12 H new ATOM 0 HA2 GLY A 25 -25.514 7.752 -28.709 1.00 53.01 H new ATOM 0 HA3 GLY A 25 -24.357 8.056 -27.428 1.00 53.01 H new ATOM 366 N LYS A 26 -26.420 6.356 -26.680 1.00 34.11 N ATOM 367 CA LYS A 26 -27.314 5.679 -25.748 1.00 31.21 C ATOM 368 C LYS A 26 -26.529 4.800 -24.780 1.00 1.53 C ATOM 369 O LYS A 26 -27.051 3.817 -24.254 1.00 71.03 O ATOM 370 CB LYS A 26 -28.334 4.831 -26.512 1.00 11.51 C ATOM 371 CG LYS A 26 -29.445 5.645 -27.152 1.00 21.05 C ATOM 372 CD LYS A 26 -30.653 4.781 -27.474 1.00 73.13 C ATOM 373 CE LYS A 26 -31.943 5.425 -26.988 1.00 73.14 C ATOM 374 NZ LYS A 26 -33.043 5.279 -27.981 1.00 32.21 N1+ ATOM 0 H LYS A 26 -25.870 5.729 -27.267 1.00 34.11 H new ATOM 0 HA LYS A 26 -27.841 6.440 -25.173 1.00 31.21 H new ATOM 0 HB2 LYS A 26 -27.816 4.266 -27.287 1.00 11.51 H new ATOM 0 HB3 LYS A 26 -28.775 4.105 -25.829 1.00 11.51 H new ATOM 0 HG2 LYS A 26 -29.741 6.450 -26.480 1.00 21.05 H new ATOM 0 HG3 LYS A 26 -29.076 6.112 -28.065 1.00 21.05 H new ATOM 0 HD2 LYS A 26 -30.709 4.618 -28.550 1.00 73.13 H new ATOM 0 HD3 LYS A 26 -30.536 3.802 -27.009 1.00 73.13 H new ATOM 0 HE2 LYS A 26 -32.243 4.970 -26.044 1.00 73.14 H new ATOM 0 HE3 LYS A 26 -31.769 6.483 -26.791 1.00 73.14 H new ATOM 0 HZ1 LYS A 26 -33.905 5.730 -27.613 1.00 32.21 H new ATOM 0 HZ2 LYS A 26 -32.767 5.735 -28.874 1.00 32.21 H new ATOM 0 HZ3 LYS A 26 -33.226 4.269 -28.150 1.00 32.21 H new ATOM 388 N LYS A 27 -25.271 5.161 -24.549 1.00 34.13 N ATOM 389 CA LYS A 27 -24.413 4.407 -23.642 1.00 52.41 C ATOM 390 C LYS A 27 -23.773 5.327 -22.608 1.00 11.23 C ATOM 391 O LYS A 27 -23.146 6.328 -22.957 1.00 23.22 O ATOM 392 CB LYS A 27 -23.326 3.672 -24.429 1.00 10.11 C ATOM 393 CG LYS A 27 -23.871 2.764 -25.517 1.00 70.22 C ATOM 394 CD LYS A 27 -23.489 1.313 -25.277 1.00 41.22 C ATOM 395 CE LYS A 27 -24.606 0.367 -25.689 1.00 63.21 C ATOM 396 NZ LYS A 27 -24.082 -0.842 -26.384 1.00 54.34 N1+ ATOM 0 H LYS A 27 -24.823 5.971 -24.977 1.00 34.13 H new ATOM 0 HA LYS A 27 -25.031 3.677 -23.119 1.00 52.41 H new ATOM 0 HB2 LYS A 27 -22.658 4.405 -24.880 1.00 10.11 H new ATOM 0 HB3 LYS A 27 -22.728 3.078 -23.738 1.00 10.11 H new ATOM 0 HG2 LYS A 27 -24.957 2.853 -25.557 1.00 70.22 H new ATOM 0 HG3 LYS A 27 -23.489 3.086 -26.486 1.00 70.22 H new ATOM 0 HD2 LYS A 27 -22.585 1.076 -25.838 1.00 41.22 H new ATOM 0 HD3 LYS A 27 -23.257 1.166 -24.222 1.00 41.22 H new ATOM 0 HE2 LYS A 27 -25.168 0.063 -24.806 1.00 63.21 H new ATOM 0 HE3 LYS A 27 -25.301 0.890 -26.345 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 -24.875 -1.461 -26.648 1.00 54.34 H new ATOM 0 HZ2 LYS A 27 -23.567 -0.554 -27.240 1.00 54.34 H new ATOM 0 HZ3 LYS A 27 -23.438 -1.356 -25.749 1.00 54.34 H new ATOM 410 N GLN A 28 -23.933 4.981 -21.334 1.00 61.24 N ATOM 411 CA GLN A 28 -23.369 5.776 -20.250 1.00 71.00 C ATOM 412 C GLN A 28 -21.906 5.416 -20.014 1.00 22.42 C ATOM 413 O GLN A 28 -21.348 4.560 -20.702 1.00 33.35 O ATOM 414 CB GLN A 28 -24.172 5.568 -18.965 1.00 20.44 C ATOM 415 CG GLN A 28 -25.678 5.620 -19.173 1.00 1.22 C ATOM 416 CD GLN A 28 -26.453 5.337 -17.902 1.00 21.13 C ATOM 417 OE1 GLN A 28 -26.512 6.172 -16.998 1.00 44.44 O ATOM 418 NE2 GLN A 28 -27.053 4.155 -17.825 1.00 41.11 N ATOM 0 H GLN A 28 -24.448 4.156 -21.028 1.00 61.24 H new ATOM 0 HA GLN A 28 -23.423 6.826 -20.538 1.00 71.00 H new ATOM 0 HB2 GLN A 28 -23.906 4.603 -18.533 1.00 20.44 H new ATOM 0 HB3 GLN A 28 -23.887 6.331 -18.241 1.00 20.44 H new ATOM 0 HG2 GLN A 28 -25.955 6.604 -19.551 1.00 1.22 H new ATOM 0 HG3 GLN A 28 -25.961 4.894 -19.936 1.00 1.22 H new ATOM 0 HE21 GLN A 28 -26.978 3.494 -18.598 1.00 41.11 H new ATOM 0 HE22 GLN A 28 -27.589 3.908 -16.993 1.00 41.11 H new ATOM 427 N TYR A 29 -21.291 6.072 -19.037 1.00 60.12 N ATOM 428 CA TYR A 29 -19.891 5.822 -18.711 1.00 72.54 C ATOM 429 C TYR A 29 -19.755 4.624 -17.778 1.00 35.52 C ATOM 430 O TYR A 29 -20.654 4.331 -16.989 1.00 1.44 O ATOM 431 CB TYR A 29 -19.268 7.061 -18.066 1.00 1.31 C ATOM 432 CG TYR A 29 -18.450 7.897 -19.024 1.00 12.11 C ATOM 433 CD1 TYR A 29 -17.165 7.515 -19.388 1.00 40.41 C ATOM 434 CD2 TYR A 29 -18.962 9.069 -19.564 1.00 71.45 C ATOM 435 CE1 TYR A 29 -16.413 8.276 -20.263 1.00 33.45 C ATOM 436 CE2 TYR A 29 -18.219 9.836 -20.441 1.00 73.14 C ATOM 437 CZ TYR A 29 -16.946 9.435 -20.786 1.00 43.34 C ATOM 438 OH TYR A 29 -16.201 10.197 -21.659 1.00 30.43 O ATOM 0 H TYR A 29 -21.739 6.781 -18.457 1.00 60.12 H new ATOM 0 HA TYR A 29 -19.362 5.598 -19.637 1.00 72.54 H new ATOM 0 HB2 TYR A 29 -20.061 7.678 -17.645 1.00 1.31 H new ATOM 0 HB3 TYR A 29 -18.633 6.748 -17.237 1.00 1.31 H new ATOM 0 HD1 TYR A 29 -16.746 6.607 -18.980 1.00 40.41 H new ATOM 0 HD2 TYR A 29 -19.958 9.387 -19.294 1.00 71.45 H new ATOM 0 HE1 TYR A 29 -15.415 7.965 -20.535 1.00 33.45 H new ATOM 0 HE2 TYR A 29 -18.633 10.744 -20.854 1.00 73.14 H new ATOM 0 HH TYR A 29 -16.783 10.847 -22.105 1.00 30.43 H new ATOM 448 N LYS A 30 -18.623 3.934 -17.873 1.00 62.40 N ATOM 449 CA LYS A 30 -18.365 2.768 -17.037 1.00 2.14 C ATOM 450 C LYS A 30 -16.871 2.606 -16.775 1.00 62.15 C ATOM 451 O LYS A 30 -16.043 3.234 -17.436 1.00 44.14 O ATOM 452 CB LYS A 30 -18.918 1.505 -17.701 1.00 43.14 C ATOM 453 CG LYS A 30 -19.882 0.728 -16.823 1.00 22.04 C ATOM 454 CD LYS A 30 -19.484 -0.735 -16.716 1.00 53.33 C ATOM 455 CE LYS A 30 -18.677 -1.001 -15.454 1.00 62.21 C ATOM 456 NZ LYS A 30 -19.185 -2.188 -14.711 1.00 3.40 N1+ ATOM 0 H LYS A 30 -17.869 4.163 -18.521 1.00 62.40 H new ATOM 0 HA LYS A 30 -18.869 2.918 -16.082 1.00 2.14 H new ATOM 0 HB2 LYS A 30 -19.425 1.783 -18.625 1.00 43.14 H new ATOM 0 HB3 LYS A 30 -18.087 0.856 -17.976 1.00 43.14 H new ATOM 0 HG2 LYS A 30 -19.908 1.172 -15.828 1.00 22.04 H new ATOM 0 HG3 LYS A 30 -20.889 0.803 -17.232 1.00 22.04 H new ATOM 0 HD2 LYS A 30 -20.379 -1.358 -16.715 1.00 53.33 H new ATOM 0 HD3 LYS A 30 -18.899 -1.019 -17.590 1.00 53.33 H new ATOM 0 HE2 LYS A 30 -17.631 -1.158 -15.718 1.00 62.21 H new ATOM 0 HE3 LYS A 30 -18.714 -0.124 -14.807 1.00 62.21 H new ATOM 0 HZ1 LYS A 30 -18.609 -2.336 -13.858 1.00 3.40 H new ATOM 0 HZ2 LYS A 30 -20.175 -2.028 -14.437 1.00 3.40 H new ATOM 0 HZ3 LYS A 30 -19.126 -3.030 -15.319 1.00 3.40 H new ATOM 470 N LEU A 31 -16.533 1.759 -15.810 1.00 14.02 N ATOM 471 CA LEU A 31 -15.137 1.513 -15.462 1.00 60.31 C ATOM 472 C LEU A 31 -14.331 1.115 -16.695 1.00 23.24 C ATOM 473 O LEU A 31 -13.127 1.359 -16.769 1.00 21.04 O ATOM 474 CB LEU A 31 -15.041 0.417 -14.400 1.00 11.14 C ATOM 475 CG LEU A 31 -14.627 0.873 -13.000 1.00 45.44 C ATOM 476 CD1 LEU A 31 -13.177 1.335 -12.998 1.00 72.31 C ATOM 477 CD2 LEU A 31 -15.543 1.982 -12.507 1.00 73.11 C ATOM 0 H LEU A 31 -17.206 1.231 -15.254 1.00 14.02 H new ATOM 0 HA LEU A 31 -14.720 2.436 -15.060 1.00 60.31 H new ATOM 0 HB2 LEU A 31 -16.010 -0.077 -14.328 1.00 11.14 H new ATOM 0 HB3 LEU A 31 -14.327 -0.331 -14.743 1.00 11.14 H new ATOM 0 HG LEU A 31 -14.719 0.026 -12.320 1.00 45.44 H new ATOM 0 HD11 LEU A 31 -12.899 1.656 -11.994 1.00 72.31 H new ATOM 0 HD12 LEU A 31 -12.533 0.512 -13.307 1.00 72.31 H new ATOM 0 HD13 LEU A 31 -13.060 2.168 -13.691 1.00 72.31 H new ATOM 0 HD21 LEU A 31 -15.233 2.293 -11.509 1.00 73.11 H new ATOM 0 HD22 LEU A 31 -15.484 2.832 -13.187 1.00 73.11 H new ATOM 0 HD23 LEU A 31 -16.569 1.617 -12.470 1.00 73.11 H new ATOM 489 N LYS A 32 -15.005 0.501 -17.662 1.00 10.31 N ATOM 490 CA LYS A 32 -14.354 0.071 -18.894 1.00 12.23 C ATOM 491 C LYS A 32 -13.577 1.220 -19.528 1.00 51.33 C ATOM 492 O LYS A 32 -12.564 1.004 -20.195 1.00 64.53 O ATOM 493 CB LYS A 32 -15.391 -0.464 -19.884 1.00 21.33 C ATOM 494 CG LYS A 32 -14.909 -1.664 -20.681 1.00 31.50 C ATOM 495 CD LYS A 32 -14.785 -1.338 -22.160 1.00 35.24 C ATOM 496 CE LYS A 32 -15.166 -2.527 -23.027 1.00 23.11 C ATOM 497 NZ LYS A 32 -14.226 -2.706 -24.168 1.00 13.30 N1+ ATOM 0 H LYS A 32 -16.002 0.290 -17.616 1.00 10.31 H new ATOM 0 HA LYS A 32 -13.653 -0.726 -18.646 1.00 12.23 H new ATOM 0 HB2 LYS A 32 -16.293 -0.740 -19.338 1.00 21.33 H new ATOM 0 HB3 LYS A 32 -15.667 0.333 -20.574 1.00 21.33 H new ATOM 0 HG2 LYS A 32 -13.943 -1.992 -20.298 1.00 31.50 H new ATOM 0 HG3 LYS A 32 -15.603 -2.493 -20.547 1.00 31.50 H new ATOM 0 HD2 LYS A 32 -15.426 -0.490 -22.402 1.00 35.24 H new ATOM 0 HD3 LYS A 32 -13.761 -1.037 -22.383 1.00 35.24 H new ATOM 0 HE2 LYS A 32 -15.175 -3.432 -22.419 1.00 23.11 H new ATOM 0 HE3 LYS A 32 -16.178 -2.389 -23.408 1.00 23.11 H new ATOM 0 HZ1 LYS A 32 -14.520 -3.527 -24.735 1.00 13.30 H new ATOM 0 HZ2 LYS A 32 -14.236 -1.853 -24.763 1.00 13.30 H new ATOM 0 HZ3 LYS A 32 -13.264 -2.863 -23.804 1.00 13.30 H new ATOM 511 N HIS A 33 -14.055 2.442 -19.314 1.00 25.51 N ATOM 512 CA HIS A 33 -13.404 3.626 -19.864 1.00 14.35 C ATOM 513 C HIS A 33 -12.287 4.108 -18.941 1.00 23.25 C ATOM 514 O HIS A 33 -11.305 4.631 -19.468 1.00 73.04 O ATOM 515 CB HIS A 33 -14.425 4.745 -20.074 1.00 53.21 C ATOM 516 CG HIS A 33 -15.673 4.294 -20.769 1.00 43.32 C ATOM 517 ND1 HIS A 33 -16.932 4.452 -20.232 1.00 20.51 N ATOM 518 CD2 HIS A 33 -15.850 3.686 -21.966 1.00 12.34 C ATOM 519 CE1 HIS A 33 -17.830 3.961 -21.068 1.00 3.03 C ATOM 520 NE2 HIS A 33 -17.198 3.490 -22.128 1.00 51.02 N ATOM 0 H HIS A 33 -14.891 2.638 -18.764 1.00 25.51 H new ATOM 0 HA HIS A 33 -12.968 3.357 -20.826 1.00 14.35 H new ATOM 0 HB2 HIS A 33 -14.691 5.169 -19.106 1.00 53.21 H new ATOM 0 HB3 HIS A 33 -13.963 5.543 -20.656 1.00 53.21 H new ATOM 0 HD2 HIS A 33 -15.074 3.407 -22.664 1.00 12.34 H new ATOM 0 HE1 HIS A 33 -18.898 3.947 -20.911 1.00 3.03 H new ATOM 0 HE2 HIS A 33 -17.640 3.052 -22.936 1.00 51.02 H new ATOM 528 N ILE A 34 -12.406 3.950 -17.627 1.00 32.11 N ATOM 529 CA ILE A 34 -11.365 4.394 -16.708 1.00 22.32 C ATOM 530 C ILE A 34 -10.147 3.480 -16.777 1.00 14.41 C ATOM 531 O ILE A 34 -9.008 3.939 -16.681 1.00 2.10 O ATOM 532 CB ILE A 34 -11.879 4.438 -15.256 1.00 51.24 C ATOM 533 CG1 ILE A 34 -13.143 5.294 -15.166 1.00 14.03 C ATOM 534 CG2 ILE A 34 -10.799 4.978 -14.329 1.00 64.04 C ATOM 535 CD1 ILE A 34 -13.840 5.203 -13.826 1.00 21.11 C ATOM 0 H ILE A 34 -13.212 3.518 -17.175 1.00 32.11 H new ATOM 0 HA ILE A 34 -11.079 5.400 -17.014 1.00 22.32 H new ATOM 0 HB ILE A 34 -12.127 3.424 -14.942 1.00 51.24 H new ATOM 0 HG12 ILE A 34 -12.882 6.334 -15.361 1.00 14.03 H new ATOM 0 HG13 ILE A 34 -13.837 4.987 -15.949 1.00 14.03 H new ATOM 0 HG21 ILE A 34 -11.176 5.003 -13.307 1.00 64.04 H new ATOM 0 HG22 ILE A 34 -9.922 4.332 -14.376 1.00 64.04 H new ATOM 0 HG23 ILE A 34 -10.524 5.986 -14.639 1.00 64.04 H new ATOM 0 HD11 ILE A 34 -14.728 5.835 -13.834 1.00 21.11 H new ATOM 0 HD12 ILE A 34 -14.132 4.170 -13.637 1.00 21.11 H new ATOM 0 HD13 ILE A 34 -13.163 5.538 -13.040 1.00 21.11 H new ATOM 547 N VAL A 35 -10.392 2.185 -16.945 1.00 31.25 N ATOM 548 CA VAL A 35 -9.314 1.207 -17.029 1.00 65.03 C ATOM 549 C VAL A 35 -8.638 1.250 -18.395 1.00 60.42 C ATOM 550 O VAL A 35 -7.422 1.101 -18.502 1.00 12.44 O ATOM 551 CB VAL A 35 -9.830 -0.221 -16.770 1.00 72.22 C ATOM 552 CG1 VAL A 35 -8.698 -1.229 -16.893 1.00 60.13 C ATOM 553 CG2 VAL A 35 -10.488 -0.309 -15.401 1.00 13.43 C ATOM 0 H VAL A 35 -11.328 1.788 -17.026 1.00 31.25 H new ATOM 0 HA VAL A 35 -8.589 1.469 -16.259 1.00 65.03 H new ATOM 0 HB VAL A 35 -10.580 -0.460 -17.524 1.00 72.22 H new ATOM 0 HG11 VAL A 35 -9.082 -2.232 -16.707 1.00 60.13 H new ATOM 0 HG12 VAL A 35 -8.277 -1.182 -17.897 1.00 60.13 H new ATOM 0 HG13 VAL A 35 -7.923 -0.996 -16.163 1.00 60.13 H new ATOM 0 HG21 VAL A 35 -10.847 -1.325 -15.234 1.00 13.43 H new ATOM 0 HG22 VAL A 35 -9.762 -0.050 -14.631 1.00 13.43 H new ATOM 0 HG23 VAL A 35 -11.328 0.384 -15.356 1.00 13.43 H new ATOM 563 N TRP A 36 -9.436 1.457 -19.436 1.00 42.14 N ATOM 564 CA TRP A 36 -8.914 1.521 -20.797 1.00 21.20 C ATOM 565 C TRP A 36 -7.948 2.690 -20.955 1.00 24.01 C ATOM 566 O TRP A 36 -6.901 2.560 -21.589 1.00 51.24 O ATOM 567 CB TRP A 36 -10.062 1.654 -21.800 1.00 40.32 C ATOM 568 CG TRP A 36 -9.598 1.829 -23.214 1.00 54.33 C ATOM 569 CD1 TRP A 36 -9.201 0.847 -24.074 1.00 65.13 C ATOM 570 CD2 TRP A 36 -9.481 3.064 -23.930 1.00 74.15 C ATOM 571 NE1 TRP A 36 -8.844 1.396 -25.283 1.00 63.43 N ATOM 572 CE2 TRP A 36 -9.008 2.754 -25.220 1.00 72.23 C ATOM 573 CE3 TRP A 36 -9.733 4.400 -23.608 1.00 41.35 C ATOM 574 CZ2 TRP A 36 -8.781 3.733 -26.185 1.00 31.53 C ATOM 575 CZ3 TRP A 36 -9.506 5.371 -24.566 1.00 3.11 C ATOM 576 CH2 TRP A 36 -9.036 5.033 -25.842 1.00 12.23 C ATOM 0 H TRP A 36 -10.446 1.583 -19.365 1.00 42.14 H new ATOM 0 HA TRP A 36 -8.372 0.596 -20.995 1.00 21.20 H new ATOM 0 HB2 TRP A 36 -10.693 0.767 -21.739 1.00 40.32 H new ATOM 0 HB3 TRP A 36 -10.682 2.506 -21.521 1.00 40.32 H new ATOM 0 HD1 TRP A 36 -9.171 -0.207 -23.840 1.00 65.13 H new ATOM 0 HE1 TRP A 36 -8.511 0.876 -26.095 1.00 63.43 H new ATOM 0 HE3 TRP A 36 -10.099 4.670 -22.628 1.00 41.35 H new ATOM 0 HZ2 TRP A 36 -8.417 3.475 -27.169 1.00 31.53 H new ATOM 0 HZ3 TRP A 36 -9.694 6.407 -24.327 1.00 3.11 H new ATOM 0 HH2 TRP A 36 -8.872 5.814 -26.569 1.00 12.23 H new ATOM 587 N ALA A 37 -8.305 3.831 -20.375 1.00 25.24 N ATOM 588 CA ALA A 37 -7.468 5.021 -20.450 1.00 11.30 C ATOM 589 C ALA A 37 -6.239 4.884 -19.559 1.00 53.32 C ATOM 590 O ALA A 37 -5.210 5.517 -19.801 1.00 72.34 O ATOM 591 CB ALA A 37 -8.269 6.255 -20.061 1.00 74.40 C ATOM 0 H ALA A 37 -9.169 3.956 -19.848 1.00 25.24 H new ATOM 0 HA ALA A 37 -7.128 5.132 -21.480 1.00 11.30 H new ATOM 0 HB1 ALA A 37 -7.631 7.137 -20.121 1.00 74.40 H new ATOM 0 HB2 ALA A 37 -9.113 6.370 -20.741 1.00 74.40 H new ATOM 0 HB3 ALA A 37 -8.637 6.143 -19.041 1.00 74.40 H new ATOM 597 N SER A 38 -6.351 4.055 -18.526 1.00 52.22 N ATOM 598 CA SER A 38 -5.249 3.839 -17.596 1.00 4.52 C ATOM 599 C SER A 38 -4.106 3.086 -18.272 1.00 22.12 C ATOM 600 O SER A 38 -2.933 3.378 -18.041 1.00 31.11 O ATOM 601 CB SER A 38 -5.733 3.061 -16.371 1.00 10.14 C ATOM 602 OG SER A 38 -5.531 1.668 -16.538 1.00 45.53 O ATOM 0 H SER A 38 -7.194 3.522 -18.312 1.00 52.22 H new ATOM 0 HA SER A 38 -4.880 4.814 -17.277 1.00 4.52 H new ATOM 0 HB2 SER A 38 -5.200 3.405 -15.484 1.00 10.14 H new ATOM 0 HB3 SER A 38 -6.792 3.261 -16.205 1.00 10.14 H new ATOM 0 HG SER A 38 -6.138 1.330 -17.229 1.00 45.53 H new ATOM 608 N ARG A 39 -4.460 2.115 -19.108 1.00 41.43 N ATOM 609 CA ARG A 39 -3.466 1.319 -19.817 1.00 44.23 C ATOM 610 C ARG A 39 -2.942 2.066 -21.041 1.00 31.02 C ATOM 611 O ARG A 39 -1.816 1.840 -21.483 1.00 23.25 O ATOM 612 CB ARG A 39 -4.065 -0.022 -20.245 1.00 20.43 C ATOM 613 CG ARG A 39 -3.754 -1.162 -19.288 1.00 72.34 C ATOM 614 CD ARG A 39 -3.021 -2.293 -19.989 1.00 44.13 C ATOM 615 NE ARG A 39 -2.157 -3.034 -19.075 1.00 2.44 N ATOM 616 CZ ARG A 39 -1.521 -4.153 -19.407 1.00 65.15 C ATOM 617 NH1 ARG A 39 -1.651 -4.655 -20.628 1.00 35.52 N1+ ATOM 618 NH2 ARG A 39 -0.751 -4.770 -18.520 1.00 62.23 N ATOM 0 H ARG A 39 -5.427 1.861 -19.310 1.00 41.43 H new ATOM 0 HA ARG A 39 -2.633 1.138 -19.138 1.00 44.23 H new ATOM 0 HB2 ARG A 39 -5.146 0.084 -20.331 1.00 20.43 H new ATOM 0 HB3 ARG A 39 -3.690 -0.278 -21.236 1.00 20.43 H new ATOM 0 HG2 ARG A 39 -3.147 -0.790 -18.463 1.00 72.34 H new ATOM 0 HG3 ARG A 39 -4.681 -1.540 -18.857 1.00 72.34 H new ATOM 0 HD2 ARG A 39 -3.746 -2.974 -20.434 1.00 44.13 H new ATOM 0 HD3 ARG A 39 -2.423 -1.887 -20.804 1.00 44.13 H new ATOM 0 HE ARG A 39 -2.035 -2.673 -18.129 1.00 2.44 H new ATOM 0 HH11 ARG A 39 -2.240 -4.182 -21.314 1.00 35.52 H new ATOM 0 HH12 ARG A 39 -1.162 -5.514 -20.881 1.00 35.52 H new ATOM 0 HH21 ARG A 39 -0.646 -4.386 -17.581 1.00 62.23 H new ATOM 0 HH22 ARG A 39 -0.264 -5.629 -18.777 1.00 62.23 H new ATOM 632 N GLU A 40 -3.767 2.957 -21.581 1.00 63.24 N ATOM 633 CA GLU A 40 -3.386 3.737 -22.754 1.00 3.03 C ATOM 634 C GLU A 40 -2.534 4.938 -22.355 1.00 31.33 C ATOM 635 O GLU A 40 -1.736 5.438 -23.149 1.00 13.34 O ATOM 636 CB GLU A 40 -4.632 4.208 -23.507 1.00 22.41 C ATOM 637 CG GLU A 40 -4.374 4.532 -24.969 1.00 22.04 C ATOM 638 CD GLU A 40 -4.316 3.292 -25.839 1.00 71.42 C ATOM 639 OE1 GLU A 40 -5.388 2.729 -26.144 1.00 32.23 O1- ATOM 640 OE2 GLU A 40 -3.198 2.885 -26.217 1.00 43.11 O ATOM 0 H GLU A 40 -4.702 3.157 -21.226 1.00 63.24 H new ATOM 0 HA GLU A 40 -2.795 3.097 -23.409 1.00 3.03 H new ATOM 0 HB2 GLU A 40 -5.398 3.435 -23.445 1.00 22.41 H new ATOM 0 HB3 GLU A 40 -5.032 5.093 -23.013 1.00 22.41 H new ATOM 0 HG2 GLU A 40 -5.160 5.192 -25.335 1.00 22.04 H new ATOM 0 HG3 GLU A 40 -3.434 5.077 -25.056 1.00 22.04 H new ATOM 647 N LEU A 41 -2.712 5.398 -21.121 1.00 53.25 N ATOM 648 CA LEU A 41 -1.960 6.542 -20.615 1.00 43.14 C ATOM 649 C LEU A 41 -0.488 6.189 -20.434 1.00 13.33 C ATOM 650 O LEU A 41 0.394 6.904 -20.907 1.00 55.33 O ATOM 651 CB LEU A 41 -2.550 7.018 -19.287 1.00 45.13 C ATOM 652 CG LEU A 41 -3.515 8.202 -19.367 1.00 11.12 C ATOM 653 CD1 LEU A 41 -4.058 8.541 -17.988 1.00 32.52 C ATOM 654 CD2 LEU A 41 -2.825 9.410 -19.984 1.00 34.51 C ATOM 0 H LEU A 41 -3.370 4.997 -20.453 1.00 53.25 H new ATOM 0 HA LEU A 41 -2.034 7.346 -21.347 1.00 43.14 H new ATOM 0 HB2 LEU A 41 -3.072 6.181 -18.823 1.00 45.13 H new ATOM 0 HB3 LEU A 41 -1.729 7.289 -18.624 1.00 45.13 H new ATOM 0 HG LEU A 41 -4.353 7.922 -20.005 1.00 11.12 H new ATOM 0 HD11 LEU A 41 -4.743 9.386 -18.064 1.00 32.52 H new ATOM 0 HD12 LEU A 41 -4.589 7.679 -17.584 1.00 32.52 H new ATOM 0 HD13 LEU A 41 -3.232 8.802 -17.326 1.00 32.52 H new ATOM 0 HD21 LEU A 41 -3.526 10.243 -20.033 1.00 34.51 H new ATOM 0 HD22 LEU A 41 -1.969 9.692 -19.372 1.00 34.51 H new ATOM 0 HD23 LEU A 41 -2.486 9.161 -20.990 1.00 34.51 H new ATOM 666 N GLU A 42 -0.231 5.080 -19.747 1.00 3.31 N ATOM 667 CA GLU A 42 1.136 4.632 -19.505 1.00 25.35 C ATOM 668 C GLU A 42 1.899 4.478 -20.818 1.00 35.43 C ATOM 669 O GLU A 42 3.125 4.580 -20.849 1.00 61.25 O ATOM 670 CB GLU A 42 1.133 3.303 -18.745 1.00 21.51 C ATOM 671 CG GLU A 42 1.918 3.344 -17.446 1.00 10.14 C ATOM 672 CD GLU A 42 1.461 2.290 -16.455 1.00 72.41 C ATOM 673 OE1 GLU A 42 0.422 1.645 -16.710 1.00 54.21 O1- ATOM 674 OE2 GLU A 42 2.142 2.111 -15.423 1.00 71.10 O ATOM 0 H GLU A 42 -0.950 4.476 -19.349 1.00 3.31 H new ATOM 0 HA GLU A 42 1.637 5.388 -18.900 1.00 25.35 H new ATOM 0 HB2 GLU A 42 0.103 3.020 -18.528 1.00 21.51 H new ATOM 0 HB3 GLU A 42 1.549 2.526 -19.387 1.00 21.51 H new ATOM 0 HG2 GLU A 42 2.977 3.201 -17.661 1.00 10.14 H new ATOM 0 HG3 GLU A 42 1.815 4.331 -16.995 1.00 10.14 H new ATOM 681 N ARG A 43 1.164 4.232 -21.896 1.00 44.22 N ATOM 682 CA ARG A 43 1.771 4.062 -23.211 1.00 62.25 C ATOM 683 C ARG A 43 2.288 5.394 -23.747 1.00 61.14 C ATOM 684 O ARG A 43 3.227 5.432 -24.543 1.00 75.04 O ATOM 685 CB ARG A 43 0.759 3.465 -24.191 1.00 21.23 C ATOM 686 CG ARG A 43 1.268 2.228 -24.914 1.00 33.33 C ATOM 687 CD ARG A 43 1.325 1.025 -23.987 1.00 2.25 C ATOM 688 NE ARG A 43 0.865 -0.196 -24.644 1.00 72.02 N ATOM 689 CZ ARG A 43 -0.415 -0.472 -24.868 1.00 71.31 C ATOM 690 NH1 ARG A 43 -1.357 0.381 -24.490 1.00 72.33 N1+ ATOM 691 NH2 ARG A 43 -0.755 -1.603 -25.473 1.00 30.11 N ATOM 0 H ARG A 43 0.148 4.146 -21.886 1.00 44.22 H new ATOM 0 HA ARG A 43 2.614 3.378 -23.108 1.00 62.25 H new ATOM 0 HB2 ARG A 43 -0.152 3.210 -23.649 1.00 21.23 H new ATOM 0 HB3 ARG A 43 0.490 4.221 -24.928 1.00 21.23 H new ATOM 0 HG2 ARG A 43 0.617 2.006 -25.760 1.00 33.33 H new ATOM 0 HG3 ARG A 43 2.261 2.424 -25.318 1.00 33.33 H new ATOM 0 HD2 ARG A 43 2.348 0.885 -23.638 1.00 2.25 H new ATOM 0 HD3 ARG A 43 0.711 1.216 -23.107 1.00 2.25 H new ATOM 0 HE ARG A 43 1.565 -0.873 -24.947 1.00 72.02 H new ATOM 0 HH11 ARG A 43 -1.100 1.252 -24.026 1.00 72.33 H new ATOM 0 HH12 ARG A 43 -2.339 0.166 -24.663 1.00 72.33 H new ATOM 0 HH21 ARG A 43 -0.033 -2.261 -25.766 1.00 30.11 H new ATOM 0 HH22 ARG A 43 -1.738 -1.814 -25.645 1.00 30.11 H new ATOM 705 N PHE A 44 1.669 6.483 -23.306 1.00 52.34 N ATOM 706 CA PHE A 44 2.066 7.818 -23.742 1.00 21.41 C ATOM 707 C PHE A 44 3.021 8.457 -22.738 1.00 21.13 C ATOM 708 O PHE A 44 3.076 9.678 -22.609 1.00 55.11 O ATOM 709 CB PHE A 44 0.833 8.705 -23.926 1.00 33.11 C ATOM 710 CG PHE A 44 -0.156 8.159 -24.915 1.00 33.41 C ATOM 711 CD1 PHE A 44 0.241 7.822 -26.198 1.00 41.33 C ATOM 712 CD2 PHE A 44 -1.485 7.984 -24.561 1.00 62.44 C ATOM 713 CE1 PHE A 44 -0.667 7.318 -27.111 1.00 54.34 C ATOM 714 CE2 PHE A 44 -2.398 7.480 -25.470 1.00 54.53 C ATOM 715 CZ PHE A 44 -1.988 7.149 -26.747 1.00 52.22 C ATOM 0 H PHE A 44 0.890 6.469 -22.647 1.00 52.34 H new ATOM 0 HA PHE A 44 2.582 7.722 -24.697 1.00 21.41 H new ATOM 0 HB2 PHE A 44 0.339 8.831 -22.963 1.00 33.11 H new ATOM 0 HB3 PHE A 44 1.153 9.695 -24.253 1.00 33.11 H new ATOM 0 HD1 PHE A 44 1.273 7.954 -26.489 1.00 41.33 H new ATOM 0 HD2 PHE A 44 -1.811 8.244 -23.565 1.00 62.44 H new ATOM 0 HE1 PHE A 44 -0.343 7.057 -28.108 1.00 54.34 H new ATOM 0 HE2 PHE A 44 -3.430 7.345 -25.182 1.00 54.53 H new ATOM 0 HZ PHE A 44 -2.700 6.759 -27.459 1.00 52.22 H new ATOM 725 N ALA A 45 3.771 7.620 -22.029 1.00 43.42 N ATOM 726 CA ALA A 45 4.725 8.101 -21.038 1.00 41.13 C ATOM 727 C ALA A 45 4.015 8.819 -19.896 1.00 22.35 C ATOM 728 O ALA A 45 4.621 9.611 -19.174 1.00 32.31 O ATOM 729 CB ALA A 45 5.744 9.024 -21.691 1.00 25.12 C ATOM 0 H ALA A 45 3.736 6.605 -22.123 1.00 43.42 H new ATOM 0 HA ALA A 45 5.246 7.238 -20.622 1.00 41.13 H new ATOM 0 HB1 ALA A 45 6.450 9.376 -20.939 1.00 25.12 H new ATOM 0 HB2 ALA A 45 6.282 8.481 -22.468 1.00 25.12 H new ATOM 0 HB3 ALA A 45 5.231 9.877 -22.134 1.00 25.12 H new ATOM 735 N VAL A 46 2.726 8.536 -19.736 1.00 22.53 N ATOM 736 CA VAL A 46 1.933 9.154 -18.680 1.00 65.32 C ATOM 737 C VAL A 46 1.397 8.106 -17.710 1.00 54.00 C ATOM 738 O VAL A 46 0.585 7.260 -18.081 1.00 50.43 O ATOM 739 CB VAL A 46 0.750 9.952 -19.261 1.00 73.01 C ATOM 740 CG1 VAL A 46 -0.087 10.555 -18.144 1.00 33.32 C ATOM 741 CG2 VAL A 46 1.251 11.034 -20.205 1.00 43.14 C ATOM 0 H VAL A 46 2.209 7.883 -20.324 1.00 22.53 H new ATOM 0 HA VAL A 46 2.594 9.836 -18.145 1.00 65.32 H new ATOM 0 HB VAL A 46 0.118 9.270 -19.829 1.00 73.01 H new ATOM 0 HG11 VAL A 46 -0.918 11.115 -18.573 1.00 33.32 H new ATOM 0 HG12 VAL A 46 -0.476 9.758 -17.510 1.00 33.32 H new ATOM 0 HG13 VAL A 46 0.532 11.225 -17.547 1.00 33.32 H new ATOM 0 HG21 VAL A 46 0.402 11.588 -20.606 1.00 43.14 H new ATOM 0 HG22 VAL A 46 1.906 11.716 -19.662 1.00 43.14 H new ATOM 0 HG23 VAL A 46 1.805 10.575 -21.024 1.00 43.14 H new ATOM 751 N ASN A 47 1.857 8.171 -16.465 1.00 62.01 N ATOM 752 CA ASN A 47 1.424 7.227 -15.440 1.00 52.32 C ATOM 753 C ASN A 47 -0.078 7.338 -15.199 1.00 63.10 C ATOM 754 O ASN A 47 -0.664 8.419 -15.258 1.00 44.23 O ATOM 755 CB ASN A 47 2.181 7.478 -14.134 1.00 3.13 C ATOM 756 CG ASN A 47 3.189 6.386 -13.832 1.00 53.25 C ATOM 757 OD1 ASN A 47 4.039 6.063 -14.662 1.00 70.05 O ATOM 758 ND2 ASN A 47 3.098 5.812 -12.638 1.00 2.22 N ATOM 0 H ASN A 47 2.529 8.867 -16.141 1.00 62.01 H new ATOM 0 HA ASN A 47 1.644 6.219 -15.792 1.00 52.32 H new ATOM 0 HB2 ASN A 47 2.695 8.437 -14.194 1.00 3.13 H new ATOM 0 HB3 ASN A 47 1.469 7.549 -13.312 1.00 3.13 H new ATOM 0 HD21 ASN A 47 3.749 5.071 -12.377 1.00 2.22 H new ATOM 0 HD22 ASN A 47 2.377 6.112 -11.982 1.00 2.22 H new ATOM 765 N PRO A 48 -0.719 6.192 -14.921 1.00 52.32 N ATOM 766 CA PRO A 48 -2.160 6.133 -14.665 1.00 24.31 C ATOM 767 C PRO A 48 -2.540 6.782 -13.338 1.00 63.45 C ATOM 768 O PRO A 48 -3.717 7.011 -13.063 1.00 13.21 O ATOM 769 CB PRO A 48 -2.453 4.631 -14.629 1.00 41.02 C ATOM 770 CG PRO A 48 -1.160 4.002 -14.239 1.00 74.41 C ATOM 771 CD PRO A 48 -0.084 4.866 -14.836 1.00 12.54 C ATOM 0 HA PRO A 48 -2.730 6.674 -15.420 1.00 24.31 H new ATOM 0 HB2 PRO A 48 -3.239 4.398 -13.911 1.00 41.02 H new ATOM 0 HB3 PRO A 48 -2.792 4.270 -15.600 1.00 41.02 H new ATOM 0 HG2 PRO A 48 -1.062 3.950 -13.155 1.00 74.41 H new ATOM 0 HG3 PRO A 48 -1.094 2.981 -14.614 1.00 74.41 H new ATOM 0 HD2 PRO A 48 0.808 4.887 -14.210 1.00 12.54 H new ATOM 0 HD3 PRO A 48 0.224 4.504 -15.817 1.00 12.54 H new ATOM 779 N GLY A 49 -1.534 7.076 -12.519 1.00 24.40 N ATOM 780 CA GLY A 49 -1.784 7.696 -11.231 1.00 64.40 C ATOM 781 C GLY A 49 -2.321 9.108 -11.361 1.00 24.25 C ATOM 782 O GLY A 49 -2.863 9.665 -10.406 1.00 11.14 O ATOM 0 H GLY A 49 -0.551 6.896 -12.725 1.00 24.40 H new ATOM 0 HA2 GLY A 49 -2.497 7.090 -10.672 1.00 64.40 H new ATOM 0 HA3 GLY A 49 -0.859 7.714 -10.654 1.00 64.40 H new ATOM 786 N LEU A 50 -2.170 9.689 -12.546 1.00 71.23 N ATOM 787 CA LEU A 50 -2.643 11.046 -12.798 1.00 13.53 C ATOM 788 C LEU A 50 -4.160 11.075 -12.947 1.00 61.04 C ATOM 789 O LEU A 50 -4.798 12.104 -12.715 1.00 3.42 O ATOM 790 CB LEU A 50 -1.984 11.610 -14.058 1.00 54.42 C ATOM 791 CG LEU A 50 -0.458 11.530 -14.110 1.00 42.05 C ATOM 792 CD1 LEU A 50 0.067 12.171 -15.387 1.00 25.10 C ATOM 793 CD2 LEU A 50 0.154 12.196 -12.887 1.00 73.34 C ATOM 0 H LEU A 50 -1.724 9.242 -13.347 1.00 71.23 H new ATOM 0 HA LEU A 50 -2.369 11.665 -11.944 1.00 13.53 H new ATOM 0 HB2 LEU A 50 -2.385 11.080 -14.922 1.00 54.42 H new ATOM 0 HB3 LEU A 50 -2.277 12.655 -14.160 1.00 54.42 H new ATOM 0 HG LEU A 50 -0.169 10.479 -14.109 1.00 42.05 H new ATOM 0 HD11 LEU A 50 1.155 12.105 -15.407 1.00 25.10 H new ATOM 0 HD12 LEU A 50 -0.344 11.650 -16.251 1.00 25.10 H new ATOM 0 HD13 LEU A 50 -0.233 13.218 -15.418 1.00 25.10 H new ATOM 0 HD21 LEU A 50 1.241 12.129 -12.942 1.00 73.34 H new ATOM 0 HD22 LEU A 50 -0.144 13.244 -12.856 1.00 73.34 H new ATOM 0 HD23 LEU A 50 -0.196 11.693 -11.986 1.00 73.34 H new ATOM 805 N LEU A 51 -4.733 9.942 -13.334 1.00 23.24 N ATOM 806 CA LEU A 51 -6.177 9.835 -13.511 1.00 62.35 C ATOM 807 C LEU A 51 -6.907 10.077 -12.194 1.00 20.55 C ATOM 808 O LEU A 51 -8.068 10.484 -12.182 1.00 64.43 O ATOM 809 CB LEU A 51 -6.544 8.458 -14.065 1.00 44.34 C ATOM 810 CG LEU A 51 -6.098 8.171 -15.500 1.00 4.34 C ATOM 811 CD1 LEU A 51 -6.334 6.710 -15.850 1.00 65.30 C ATOM 812 CD2 LEU A 51 -6.827 9.081 -16.477 1.00 61.21 C ATOM 0 H LEU A 51 -4.220 9.083 -13.532 1.00 23.24 H new ATOM 0 HA LEU A 51 -6.487 10.600 -14.223 1.00 62.35 H new ATOM 0 HB2 LEU A 51 -6.112 7.699 -13.413 1.00 44.34 H new ATOM 0 HB3 LEU A 51 -7.627 8.344 -14.013 1.00 44.34 H new ATOM 0 HG LEU A 51 -5.030 8.373 -15.576 1.00 4.34 H new ATOM 0 HD11 LEU A 51 -6.011 6.524 -16.874 1.00 65.30 H new ATOM 0 HD12 LEU A 51 -5.765 6.076 -15.170 1.00 65.30 H new ATOM 0 HD13 LEU A 51 -7.396 6.481 -15.757 1.00 65.30 H new ATOM 0 HD21 LEU A 51 -6.497 8.863 -17.493 1.00 61.21 H new ATOM 0 HD22 LEU A 51 -7.901 8.912 -16.400 1.00 61.21 H new ATOM 0 HD23 LEU A 51 -6.606 10.122 -16.239 1.00 61.21 H new ATOM 824 N GLU A 52 -6.218 9.823 -11.086 1.00 74.23 N ATOM 825 CA GLU A 52 -6.801 10.015 -9.763 1.00 21.30 C ATOM 826 C GLU A 52 -6.354 11.343 -9.158 1.00 50.15 C ATOM 827 O GLU A 52 -6.336 11.509 -7.938 1.00 23.24 O ATOM 828 CB GLU A 52 -6.408 8.862 -8.836 1.00 61.43 C ATOM 829 CG GLU A 52 -4.916 8.786 -8.558 1.00 62.11 C ATOM 830 CD GLU A 52 -4.597 7.992 -7.306 1.00 52.44 C ATOM 831 OE1 GLU A 52 -4.821 8.520 -6.197 1.00 35.11 O ATOM 832 OE2 GLU A 52 -4.122 6.845 -7.435 1.00 43.30 O1- ATOM 0 H GLU A 52 -5.256 9.484 -11.078 1.00 74.23 H new ATOM 0 HA GLU A 52 -7.885 10.032 -9.871 1.00 21.30 H new ATOM 0 HB2 GLU A 52 -6.940 8.969 -7.891 1.00 61.43 H new ATOM 0 HB3 GLU A 52 -6.735 7.922 -9.281 1.00 61.43 H new ATOM 0 HG2 GLU A 52 -4.414 8.330 -9.411 1.00 62.11 H new ATOM 0 HG3 GLU A 52 -4.517 9.795 -8.456 1.00 62.11 H new ATOM 839 N THR A 53 -5.992 12.287 -10.021 1.00 62.44 N ATOM 840 CA THR A 53 -5.544 13.600 -9.574 1.00 14.22 C ATOM 841 C THR A 53 -6.201 14.712 -10.385 1.00 0.43 C ATOM 842 O THR A 53 -6.092 14.746 -11.611 1.00 2.14 O ATOM 843 CB THR A 53 -4.013 13.737 -9.681 1.00 32.21 C ATOM 844 OG1 THR A 53 -3.628 13.872 -11.054 1.00 31.44 O ATOM 845 CG2 THR A 53 -3.318 12.531 -9.070 1.00 1.54 C ATOM 0 H THR A 53 -6.000 12.167 -11.034 1.00 62.44 H new ATOM 0 HA THR A 53 -5.838 13.695 -8.529 1.00 14.22 H new ATOM 0 HB THR A 53 -3.711 14.628 -9.130 1.00 32.21 H new ATOM 0 HG1 THR A 53 -4.272 13.400 -11.622 1.00 31.44 H new ATOM 0 HG21 THR A 53 -2.238 12.650 -9.157 1.00 1.54 H new ATOM 0 HG22 THR A 53 -3.590 12.449 -8.018 1.00 1.54 H new ATOM 0 HG23 THR A 53 -3.627 11.628 -9.596 1.00 1.54 H new ATOM 853 N SER A 54 -6.882 15.619 -9.693 1.00 52.32 N ATOM 854 CA SER A 54 -7.559 16.730 -10.350 1.00 55.23 C ATOM 855 C SER A 54 -6.573 17.562 -11.165 1.00 14.10 C ATOM 856 O SER A 54 -6.959 18.258 -12.104 1.00 32.14 O ATOM 857 CB SER A 54 -8.256 17.615 -9.314 1.00 71.33 C ATOM 858 OG SER A 54 -8.354 16.956 -8.064 1.00 4.54 O ATOM 0 H SER A 54 -6.980 15.606 -8.678 1.00 52.32 H new ATOM 0 HA SER A 54 -8.307 16.318 -11.027 1.00 55.23 H new ATOM 0 HB2 SER A 54 -7.702 18.546 -9.195 1.00 71.33 H new ATOM 0 HB3 SER A 54 -9.252 17.879 -9.668 1.00 71.33 H new ATOM 0 HG SER A 54 -8.801 17.543 -7.419 1.00 4.54 H new ATOM 864 N GLU A 55 -5.298 17.484 -10.797 1.00 60.34 N ATOM 865 CA GLU A 55 -4.256 18.231 -11.493 1.00 11.33 C ATOM 866 C GLU A 55 -3.770 17.469 -12.722 1.00 65.14 C ATOM 867 O GLU A 55 -3.638 18.036 -13.806 1.00 55.33 O ATOM 868 CB GLU A 55 -3.081 18.506 -10.553 1.00 53.23 C ATOM 869 CG GLU A 55 -2.198 19.658 -11.004 1.00 14.14 C ATOM 870 CD GLU A 55 -1.995 20.697 -9.918 1.00 72.31 C ATOM 871 OE1 GLU A 55 -1.489 20.333 -8.835 1.00 45.10 O ATOM 872 OE2 GLU A 55 -2.342 21.874 -10.150 1.00 14.11 O1- ATOM 0 H GLU A 55 -4.962 16.912 -10.022 1.00 60.34 H new ATOM 0 HA GLU A 55 -4.681 19.180 -11.819 1.00 11.33 H new ATOM 0 HB2 GLU A 55 -3.467 18.723 -9.557 1.00 53.23 H new ATOM 0 HB3 GLU A 55 -2.474 17.605 -10.470 1.00 53.23 H new ATOM 0 HG2 GLU A 55 -1.229 19.268 -11.314 1.00 14.14 H new ATOM 0 HG3 GLU A 55 -2.645 20.133 -11.877 1.00 14.14 H new ATOM 879 N GLY A 56 -3.506 16.178 -12.545 1.00 60.03 N ATOM 880 CA GLY A 56 -3.037 15.358 -13.648 1.00 54.44 C ATOM 881 C GLY A 56 -3.970 15.404 -14.842 1.00 11.54 C ATOM 882 O GLY A 56 -3.533 15.623 -15.972 1.00 43.30 O ATOM 0 H GLY A 56 -3.608 15.685 -11.658 1.00 60.03 H new ATOM 0 HA2 GLY A 56 -2.046 15.695 -13.952 1.00 54.44 H new ATOM 0 HA3 GLY A 56 -2.933 14.326 -13.311 1.00 54.44 H new ATOM 886 N CYS A 57 -5.258 15.195 -14.592 1.00 71.21 N ATOM 887 CA CYS A 57 -6.255 15.210 -15.656 1.00 32.42 C ATOM 888 C CYS A 57 -6.146 16.486 -16.485 1.00 25.10 C ATOM 889 O CYS A 57 -6.292 16.458 -17.707 1.00 35.12 O ATOM 890 CB CYS A 57 -7.661 15.088 -15.067 1.00 31.12 C ATOM 891 SG CYS A 57 -8.580 13.640 -15.641 1.00 42.44 S ATOM 0 H CYS A 57 -5.636 15.013 -13.662 1.00 71.21 H new ATOM 0 HA CYS A 57 -6.067 14.357 -16.309 1.00 32.42 H new ATOM 0 HB2 CYS A 57 -7.586 15.050 -13.980 1.00 31.12 H new ATOM 0 HB3 CYS A 57 -8.227 15.986 -15.316 1.00 31.12 H new ATOM 0 HG CYS A 57 -9.343 13.978 -16.638 1.00 42.44 H new ATOM 897 N ARG A 58 -5.892 17.603 -15.811 1.00 44.20 N ATOM 898 CA ARG A 58 -5.766 18.889 -16.485 1.00 73.14 C ATOM 899 C ARG A 58 -4.532 18.916 -17.383 1.00 14.02 C ATOM 900 O ARG A 58 -4.537 19.544 -18.440 1.00 44.55 O ATOM 901 CB ARG A 58 -5.688 20.021 -15.459 1.00 72.20 C ATOM 902 CG ARG A 58 -5.865 21.405 -16.063 1.00 42.03 C ATOM 903 CD ARG A 58 -4.528 22.103 -16.258 1.00 24.21 C ATOM 904 NE ARG A 58 -4.259 23.075 -15.202 1.00 62.44 N ATOM 905 CZ ARG A 58 -3.278 23.969 -15.258 1.00 2.11 C ATOM 906 NH1 ARG A 58 -2.477 24.013 -16.314 1.00 31.22 N1+ ATOM 907 NH2 ARG A 58 -3.098 24.821 -14.257 1.00 42.20 N ATOM 0 H ARG A 58 -5.770 17.643 -14.799 1.00 44.20 H new ATOM 0 HA ARG A 58 -6.649 19.032 -17.108 1.00 73.14 H new ATOM 0 HB2 ARG A 58 -6.454 19.865 -14.700 1.00 72.20 H new ATOM 0 HB3 ARG A 58 -4.724 19.975 -14.953 1.00 72.20 H new ATOM 0 HG2 ARG A 58 -6.377 21.322 -17.022 1.00 42.03 H new ATOM 0 HG3 ARG A 58 -6.500 22.008 -15.414 1.00 42.03 H new ATOM 0 HD2 ARG A 58 -3.731 21.360 -16.278 1.00 24.21 H new ATOM 0 HD3 ARG A 58 -4.519 22.606 -17.225 1.00 24.21 H new ATOM 0 HE ARG A 58 -4.857 23.067 -14.376 1.00 62.44 H new ATOM 0 HH11 ARG A 58 -2.614 23.360 -17.085 1.00 31.22 H new ATOM 0 HH12 ARG A 58 -1.724 24.700 -16.355 1.00 31.22 H new ATOM 0 HH21 ARG A 58 -3.713 24.790 -13.444 1.00 42.20 H new ATOM 0 HH22 ARG A 58 -2.345 25.507 -14.301 1.00 42.20 H new ATOM 921 N GLN A 59 -3.479 18.230 -16.950 1.00 52.12 N ATOM 922 CA GLN A 59 -2.238 18.177 -17.714 1.00 1.35 C ATOM 923 C GLN A 59 -2.368 17.226 -18.898 1.00 44.30 C ATOM 924 O GLN A 59 -1.982 17.559 -20.019 1.00 2.32 O ATOM 925 CB GLN A 59 -1.080 17.736 -16.815 1.00 52.11 C ATOM 926 CG GLN A 59 -0.104 18.855 -16.487 1.00 63.23 C ATOM 927 CD GLN A 59 1.136 18.357 -15.772 1.00 21.44 C ATOM 928 OE1 GLN A 59 1.047 17.715 -14.724 1.00 13.10 O ATOM 929 NE2 GLN A 59 2.302 18.649 -16.335 1.00 12.10 N ATOM 0 H GLN A 59 -3.460 17.704 -16.076 1.00 52.12 H new ATOM 0 HA GLN A 59 -2.033 19.177 -18.096 1.00 1.35 H new ATOM 0 HB2 GLN A 59 -1.485 17.334 -15.886 1.00 52.11 H new ATOM 0 HB3 GLN A 59 -0.540 16.926 -17.304 1.00 52.11 H new ATOM 0 HG2 GLN A 59 0.190 19.357 -17.409 1.00 63.23 H new ATOM 0 HG3 GLN A 59 -0.604 19.597 -15.865 1.00 63.23 H new ATOM 0 HE21 GLN A 59 2.329 19.183 -17.203 1.00 12.10 H new ATOM 0 HE22 GLN A 59 3.171 18.339 -15.899 1.00 12.10 H new ATOM 938 N ILE A 60 -2.913 16.041 -18.642 1.00 50.15 N ATOM 939 CA ILE A 60 -3.094 15.042 -19.689 1.00 20.23 C ATOM 940 C ILE A 60 -3.861 15.620 -20.874 1.00 15.12 C ATOM 941 O ILE A 60 -3.571 15.304 -22.028 1.00 71.15 O ATOM 942 CB ILE A 60 -3.844 13.805 -19.161 1.00 21.11 C ATOM 943 CG1 ILE A 60 -3.083 13.182 -17.989 1.00 24.41 C ATOM 944 CG2 ILE A 60 -4.036 12.787 -20.275 1.00 72.43 C ATOM 945 CD1 ILE A 60 -3.929 12.252 -17.146 1.00 14.33 C ATOM 0 H ILE A 60 -3.237 15.749 -17.720 1.00 50.15 H new ATOM 0 HA ILE A 60 -2.098 14.742 -20.016 1.00 20.23 H new ATOM 0 HB ILE A 60 -4.826 14.118 -18.807 1.00 21.11 H new ATOM 0 HG12 ILE A 60 -2.225 12.631 -18.375 1.00 24.41 H new ATOM 0 HG13 ILE A 60 -2.691 13.978 -17.356 1.00 24.41 H new ATOM 0 HG21 ILE A 60 -4.568 11.918 -19.886 1.00 72.43 H new ATOM 0 HG22 ILE A 60 -4.615 13.236 -21.082 1.00 72.43 H new ATOM 0 HG23 ILE A 60 -3.063 12.477 -20.656 1.00 72.43 H new ATOM 0 HD11 ILE A 60 -3.325 11.847 -16.334 1.00 14.33 H new ATOM 0 HD12 ILE A 60 -4.773 12.804 -16.731 1.00 14.33 H new ATOM 0 HD13 ILE A 60 -4.299 11.435 -17.765 1.00 14.33 H new ATOM 957 N LEU A 61 -4.839 16.470 -20.581 1.00 44.10 N ATOM 958 CA LEU A 61 -5.646 17.096 -21.622 1.00 4.02 C ATOM 959 C LEU A 61 -4.827 18.112 -22.410 1.00 74.04 C ATOM 960 O LEU A 61 -5.119 18.393 -23.572 1.00 54.54 O ATOM 961 CB LEU A 61 -6.870 17.776 -21.007 1.00 21.20 C ATOM 962 CG LEU A 61 -7.909 16.847 -20.376 1.00 63.25 C ATOM 963 CD1 LEU A 61 -8.911 17.645 -19.557 1.00 51.35 C ATOM 964 CD2 LEU A 61 -8.620 16.037 -21.450 1.00 45.34 C ATOM 0 H LEU A 61 -5.092 16.741 -19.631 1.00 44.10 H new ATOM 0 HA LEU A 61 -5.978 16.316 -22.307 1.00 4.02 H new ATOM 0 HB2 LEU A 61 -6.527 18.476 -20.245 1.00 21.20 H new ATOM 0 HB3 LEU A 61 -7.361 18.364 -21.782 1.00 21.20 H new ATOM 0 HG LEU A 61 -7.394 16.156 -19.708 1.00 63.25 H new ATOM 0 HD11 LEU A 61 -9.642 16.968 -19.116 1.00 51.35 H new ATOM 0 HD12 LEU A 61 -8.389 18.181 -18.765 1.00 51.35 H new ATOM 0 HD13 LEU A 61 -9.422 18.360 -20.203 1.00 51.35 H new ATOM 0 HD21 LEU A 61 -9.356 15.381 -20.984 1.00 45.34 H new ATOM 0 HD22 LEU A 61 -9.123 16.713 -22.142 1.00 45.34 H new ATOM 0 HD23 LEU A 61 -7.892 15.436 -21.994 1.00 45.34 H new ATOM 976 N GLY A 62 -3.799 18.660 -21.770 1.00 12.41 N ATOM 977 CA GLY A 62 -2.951 19.638 -22.426 1.00 43.13 C ATOM 978 C GLY A 62 -2.164 19.044 -23.578 1.00 11.53 C ATOM 979 O GLY A 62 -1.878 19.727 -24.560 1.00 32.53 O ATOM 0 H GLY A 62 -3.538 18.444 -20.808 1.00 12.41 H new ATOM 0 HA2 GLY A 62 -3.566 20.458 -22.795 1.00 43.13 H new ATOM 0 HA3 GLY A 62 -2.259 20.061 -21.698 1.00 43.13 H new ATOM 983 N GLN A 63 -1.811 17.768 -23.454 1.00 62.12 N ATOM 984 CA GLN A 63 -1.050 17.083 -24.493 1.00 14.31 C ATOM 985 C GLN A 63 -1.965 16.614 -25.619 1.00 62.30 C ATOM 986 O GLN A 63 -1.543 16.505 -26.771 1.00 62.40 O ATOM 987 CB GLN A 63 -0.299 15.890 -23.900 1.00 4.41 C ATOM 988 CG GLN A 63 1.185 16.150 -23.687 1.00 23.44 C ATOM 989 CD GLN A 63 1.619 15.909 -22.255 1.00 52.34 C ATOM 990 OE1 GLN A 63 1.255 14.904 -21.644 1.00 42.01 O ATOM 991 NE2 GLN A 63 2.402 16.832 -21.710 1.00 43.23 N ATOM 0 H GLN A 63 -2.039 17.189 -22.646 1.00 62.12 H new ATOM 0 HA GLN A 63 -0.330 17.789 -24.906 1.00 14.31 H new ATOM 0 HB2 GLN A 63 -0.753 15.623 -22.946 1.00 4.41 H new ATOM 0 HB3 GLN A 63 -0.418 15.031 -24.561 1.00 4.41 H new ATOM 0 HG2 GLN A 63 1.762 15.506 -24.351 1.00 23.44 H new ATOM 0 HG3 GLN A 63 1.413 17.179 -23.964 1.00 23.44 H new ATOM 0 HE21 GLN A 63 2.680 17.650 -22.252 1.00 43.23 H new ATOM 0 HE22 GLN A 63 2.726 16.723 -20.749 1.00 43.23 H new ATOM 1000 N LEU A 64 -3.219 16.337 -25.279 1.00 64.43 N ATOM 1001 CA LEU A 64 -4.195 15.879 -26.262 1.00 74.13 C ATOM 1002 C LEU A 64 -4.845 17.060 -26.976 1.00 35.53 C ATOM 1003 O LEU A 64 -5.309 16.934 -28.108 1.00 23.41 O ATOM 1004 CB LEU A 64 -5.268 15.025 -25.585 1.00 1.21 C ATOM 1005 CG LEU A 64 -4.815 13.653 -25.085 1.00 5.34 C ATOM 1006 CD1 LEU A 64 -5.912 12.996 -24.259 1.00 55.34 C ATOM 1007 CD2 LEU A 64 -4.421 12.762 -26.255 1.00 23.35 C ATOM 0 H LEU A 64 -3.584 16.421 -24.330 1.00 64.43 H new ATOM 0 HA LEU A 64 -3.671 15.274 -27.002 1.00 74.13 H new ATOM 0 HB2 LEU A 64 -5.669 15.584 -24.739 1.00 1.21 H new ATOM 0 HB3 LEU A 64 -6.087 14.881 -26.289 1.00 1.21 H new ATOM 0 HG LEU A 64 -3.941 13.791 -24.448 1.00 5.34 H new ATOM 0 HD11 LEU A 64 -5.571 12.021 -23.912 1.00 55.34 H new ATOM 0 HD12 LEU A 64 -6.147 13.625 -23.400 1.00 55.34 H new ATOM 0 HD13 LEU A 64 -6.804 12.871 -24.873 1.00 55.34 H new ATOM 0 HD21 LEU A 64 -4.101 11.790 -25.880 1.00 23.35 H new ATOM 0 HD22 LEU A 64 -5.277 12.632 -26.918 1.00 23.35 H new ATOM 0 HD23 LEU A 64 -3.603 13.226 -26.806 1.00 23.35 H new ATOM 1019 N GLN A 65 -4.872 18.208 -26.305 1.00 21.24 N ATOM 1020 CA GLN A 65 -5.464 19.412 -26.876 1.00 25.14 C ATOM 1021 C GLN A 65 -4.889 19.698 -28.259 1.00 33.54 C ATOM 1022 O GLN A 65 -5.601 19.713 -29.263 1.00 20.32 O ATOM 1023 CB GLN A 65 -5.227 20.609 -25.954 1.00 52.34 C ATOM 1024 CG GLN A 65 -6.474 21.066 -25.215 1.00 62.20 C ATOM 1025 CD GLN A 65 -6.421 22.531 -24.830 1.00 71.33 C ATOM 1026 OE1 GLN A 65 -5.570 23.279 -25.309 1.00 54.04 O ATOM 1027 NE2 GLN A 65 -7.334 22.949 -23.961 1.00 24.24 N ATOM 0 H GLN A 65 -4.491 18.329 -25.367 1.00 21.24 H new ATOM 0 HA GLN A 65 -6.537 19.247 -26.976 1.00 25.14 H new ATOM 0 HB2 GLN A 65 -4.458 20.349 -25.226 1.00 52.34 H new ATOM 0 HB3 GLN A 65 -4.840 21.440 -26.544 1.00 52.34 H new ATOM 0 HG2 GLN A 65 -7.348 20.891 -25.842 1.00 62.20 H new ATOM 0 HG3 GLN A 65 -6.601 20.463 -24.316 1.00 62.20 H new ATOM 0 HE21 GLN A 65 -8.022 22.294 -23.589 1.00 24.24 H new ATOM 0 HE22 GLN A 65 -7.348 23.925 -23.666 1.00 24.24 H new ATOM 1036 N PRO A 66 -3.570 19.931 -28.315 1.00 71.24 N ATOM 1037 CA PRO A 66 -2.869 20.222 -29.570 1.00 22.31 C ATOM 1038 C PRO A 66 -2.792 19.004 -30.485 1.00 74.30 C ATOM 1039 O PRO A 66 -2.522 19.130 -31.679 1.00 51.42 O ATOM 1040 CB PRO A 66 -1.469 20.633 -29.108 1.00 74.21 C ATOM 1041 CG PRO A 66 -1.295 19.966 -27.787 1.00 5.23 C ATOM 1042 CD PRO A 66 -2.660 19.930 -27.157 1.00 52.22 C ATOM 0 HA PRO A 66 -3.380 20.986 -30.155 1.00 22.31 H new ATOM 0 HB2 PRO A 66 -0.707 20.310 -29.818 1.00 74.21 H new ATOM 0 HB3 PRO A 66 -1.383 21.716 -29.019 1.00 74.21 H new ATOM 0 HG2 PRO A 66 -0.895 18.959 -27.908 1.00 5.23 H new ATOM 0 HG3 PRO A 66 -0.591 20.516 -27.162 1.00 5.23 H new ATOM 0 HD2 PRO A 66 -2.795 19.041 -26.541 1.00 52.22 H new ATOM 0 HD3 PRO A 66 -2.828 20.793 -26.513 1.00 52.22 H new ATOM 1050 N SER A 67 -3.032 17.827 -29.917 1.00 21.10 N ATOM 1051 CA SER A 67 -2.985 16.587 -30.682 1.00 24.13 C ATOM 1052 C SER A 67 -4.306 16.345 -31.407 1.00 53.04 C ATOM 1053 O SER A 67 -4.347 15.679 -32.443 1.00 54.33 O ATOM 1054 CB SER A 67 -2.675 15.405 -29.760 1.00 42.34 C ATOM 1055 OG SER A 67 -1.389 15.537 -29.179 1.00 45.20 O ATOM 0 H SER A 67 -3.261 17.706 -28.930 1.00 21.10 H new ATOM 0 HA SER A 67 -2.193 16.678 -31.425 1.00 24.13 H new ATOM 0 HB2 SER A 67 -3.428 15.345 -28.974 1.00 42.34 H new ATOM 0 HB3 SER A 67 -2.729 14.475 -30.325 1.00 42.34 H new ATOM 0 HG SER A 67 -1.472 15.560 -28.203 1.00 45.20 H new ATOM 1061 N LEU A 68 -5.384 16.892 -30.857 1.00 15.22 N ATOM 1062 CA LEU A 68 -6.708 16.738 -31.450 1.00 61.41 C ATOM 1063 C LEU A 68 -6.694 17.133 -32.924 1.00 12.25 C ATOM 1064 O LEU A 68 -7.434 16.572 -33.732 1.00 54.21 O ATOM 1065 CB LEU A 68 -7.730 17.589 -30.692 1.00 44.41 C ATOM 1066 CG LEU A 68 -8.185 17.044 -29.338 1.00 45.30 C ATOM 1067 CD1 LEU A 68 -8.449 18.182 -28.365 1.00 40.35 C ATOM 1068 CD2 LEU A 68 -9.428 16.181 -29.501 1.00 44.43 C ATOM 0 H LEU A 68 -5.368 17.446 -30.001 1.00 15.22 H new ATOM 0 HA LEU A 68 -6.992 15.688 -31.377 1.00 61.41 H new ATOM 0 HB2 LEU A 68 -7.304 18.580 -30.538 1.00 44.41 H new ATOM 0 HB3 LEU A 68 -8.609 17.715 -31.324 1.00 44.41 H new ATOM 0 HG LEU A 68 -7.386 16.424 -28.931 1.00 45.30 H new ATOM 0 HD11 LEU A 68 -8.772 17.774 -27.407 1.00 40.35 H new ATOM 0 HD12 LEU A 68 -7.535 18.760 -28.224 1.00 40.35 H new ATOM 0 HD13 LEU A 68 -9.229 18.829 -28.765 1.00 40.35 H new ATOM 0 HD21 LEU A 68 -9.738 15.802 -28.527 1.00 44.43 H new ATOM 0 HD22 LEU A 68 -10.232 16.779 -29.930 1.00 44.43 H new ATOM 0 HD23 LEU A 68 -9.205 15.344 -30.163 1.00 44.43 H new ATOM 1080 N GLN A 69 -5.846 18.098 -33.264 1.00 44.12 N ATOM 1081 CA GLN A 69 -5.734 18.565 -34.641 1.00 22.15 C ATOM 1082 C GLN A 69 -5.444 17.405 -35.587 1.00 61.40 C ATOM 1083 O GLN A 69 -6.105 17.247 -36.614 1.00 43.53 O ATOM 1084 CB GLN A 69 -4.633 19.621 -34.756 1.00 31.34 C ATOM 1085 CG GLN A 69 -4.945 20.717 -35.761 1.00 70.35 C ATOM 1086 CD GLN A 69 -5.730 21.863 -35.150 1.00 44.03 C ATOM 1087 OE1 GLN A 69 -6.218 21.765 -34.024 1.00 40.54 O ATOM 1088 NE2 GLN A 69 -5.855 22.957 -35.893 1.00 42.23 N ATOM 0 H GLN A 69 -5.227 18.571 -32.606 1.00 44.12 H new ATOM 0 HA GLN A 69 -6.687 19.012 -34.925 1.00 22.15 H new ATOM 0 HB2 GLN A 69 -4.470 20.072 -33.777 1.00 31.34 H new ATOM 0 HB3 GLN A 69 -3.701 19.133 -35.041 1.00 31.34 H new ATOM 0 HG2 GLN A 69 -4.013 21.101 -36.176 1.00 70.35 H new ATOM 0 HG3 GLN A 69 -5.513 20.294 -36.590 1.00 70.35 H new ATOM 0 HE21 GLN A 69 -5.434 22.994 -36.821 1.00 42.23 H new ATOM 0 HE22 GLN A 69 -6.372 23.760 -35.535 1.00 42.23 H new ATOM 1097 N THR A 70 -4.450 16.595 -35.236 1.00 12.04 N ATOM 1098 CA THR A 70 -4.071 15.450 -36.055 1.00 55.21 C ATOM 1099 C THR A 70 -4.130 14.156 -35.251 1.00 13.30 C ATOM 1100 O THR A 70 -3.226 13.324 -35.328 1.00 73.35 O ATOM 1101 CB THR A 70 -2.654 15.619 -36.633 1.00 12.55 C ATOM 1102 OG1 THR A 70 -2.442 16.979 -37.025 1.00 72.30 O ATOM 1103 CG2 THR A 70 -2.445 14.703 -37.830 1.00 10.24 C ATOM 0 H THR A 70 -3.893 16.711 -34.390 1.00 12.04 H new ATOM 0 HA THR A 70 -4.786 15.397 -36.876 1.00 55.21 H new ATOM 0 HB THR A 70 -1.936 15.349 -35.858 1.00 12.55 H new ATOM 0 HG1 THR A 70 -1.538 17.077 -37.390 1.00 72.30 H new ATOM 0 HG21 THR A 70 -1.437 14.840 -38.221 1.00 10.24 H new ATOM 0 HG22 THR A 70 -2.577 13.666 -37.522 1.00 10.24 H new ATOM 0 HG23 THR A 70 -3.171 14.946 -38.605 1.00 10.24 H new ATOM 1111 N GLY A 71 -5.200 13.992 -34.479 1.00 41.22 N ATOM 1112 CA GLY A 71 -5.356 12.795 -33.672 1.00 63.21 C ATOM 1113 C GLY A 71 -6.284 11.781 -34.313 1.00 55.15 C ATOM 1114 O GLY A 71 -7.046 12.115 -35.221 1.00 12.25 O ATOM 0 H GLY A 71 -5.961 14.666 -34.398 1.00 41.22 H new ATOM 0 HA2 GLY A 71 -4.379 12.339 -33.512 1.00 63.21 H new ATOM 0 HA3 GLY A 71 -5.744 13.070 -32.691 1.00 63.21 H new ATOM 1118 N SER A 72 -6.219 10.541 -33.840 1.00 63.20 N ATOM 1119 CA SER A 72 -7.056 9.475 -34.376 1.00 24.23 C ATOM 1120 C SER A 72 -8.176 9.121 -33.402 1.00 73.52 C ATOM 1121 O SER A 72 -8.376 9.802 -32.397 1.00 63.40 O ATOM 1122 CB SER A 72 -6.212 8.233 -34.671 1.00 13.22 C ATOM 1123 OG SER A 72 -5.866 7.556 -33.474 1.00 63.43 O ATOM 0 H SER A 72 -5.596 10.250 -33.087 1.00 63.20 H new ATOM 0 HA SER A 72 -7.503 9.831 -35.304 1.00 24.23 H new ATOM 0 HB2 SER A 72 -6.766 7.560 -35.326 1.00 13.22 H new ATOM 0 HB3 SER A 72 -5.306 8.523 -35.204 1.00 13.22 H new ATOM 0 HG SER A 72 -5.328 6.765 -33.689 1.00 63.43 H new ATOM 1129 N GLU A 73 -8.905 8.052 -33.710 1.00 53.41 N ATOM 1130 CA GLU A 73 -10.006 7.609 -32.862 1.00 14.52 C ATOM 1131 C GLU A 73 -9.543 7.432 -31.419 1.00 3.44 C ATOM 1132 O GLU A 73 -10.173 7.935 -30.489 1.00 40.52 O ATOM 1133 CB GLU A 73 -10.586 6.295 -33.389 1.00 31.32 C ATOM 1134 CG GLU A 73 -11.943 5.950 -32.797 1.00 61.42 C ATOM 1135 CD GLU A 73 -11.833 5.224 -31.471 1.00 34.32 C ATOM 1136 OE1 GLU A 73 -11.665 3.987 -31.483 1.00 14.43 O1- ATOM 1137 OE2 GLU A 73 -11.917 5.895 -30.420 1.00 31.54 O ATOM 0 H GLU A 73 -8.753 7.478 -34.539 1.00 53.41 H new ATOM 0 HA GLU A 73 -10.781 8.375 -32.885 1.00 14.52 H new ATOM 0 HB2 GLU A 73 -10.677 6.356 -34.473 1.00 31.32 H new ATOM 0 HB3 GLU A 73 -9.888 5.486 -33.173 1.00 31.32 H new ATOM 0 HG2 GLU A 73 -12.518 6.865 -32.659 1.00 61.42 H new ATOM 0 HG3 GLU A 73 -12.496 5.329 -33.502 1.00 61.42 H new ATOM 1144 N GLU A 74 -8.440 6.711 -31.241 1.00 41.11 N ATOM 1145 CA GLU A 74 -7.895 6.466 -29.911 1.00 10.14 C ATOM 1146 C GLU A 74 -7.679 7.777 -29.161 1.00 51.31 C ATOM 1147 O GLU A 74 -7.969 7.879 -27.969 1.00 33.12 O ATOM 1148 CB GLU A 74 -6.574 5.699 -30.011 1.00 14.14 C ATOM 1149 CG GLU A 74 -6.747 4.234 -30.372 1.00 22.31 C ATOM 1150 CD GLU A 74 -6.085 3.304 -29.374 1.00 33.21 C ATOM 1151 OE1 GLU A 74 -4.893 3.512 -29.068 1.00 43.54 O1- ATOM 1152 OE2 GLU A 74 -6.761 2.368 -28.898 1.00 20.12 O ATOM 0 H GLU A 74 -7.907 6.287 -32.000 1.00 41.11 H new ATOM 0 HA GLU A 74 -8.615 5.865 -29.356 1.00 10.14 H new ATOM 0 HB2 GLU A 74 -5.942 6.177 -30.760 1.00 14.14 H new ATOM 0 HB3 GLU A 74 -6.049 5.770 -29.058 1.00 14.14 H new ATOM 0 HG2 GLU A 74 -7.810 4.001 -30.430 1.00 22.31 H new ATOM 0 HG3 GLU A 74 -6.328 4.056 -31.362 1.00 22.31 H new ATOM 1159 N LEU A 75 -7.166 8.779 -29.868 1.00 23.11 N ATOM 1160 CA LEU A 75 -6.910 10.084 -29.270 1.00 33.21 C ATOM 1161 C LEU A 75 -8.207 10.728 -28.793 1.00 30.11 C ATOM 1162 O LEU A 75 -8.272 11.276 -27.692 1.00 52.24 O ATOM 1163 CB LEU A 75 -6.214 11.000 -30.278 1.00 14.43 C ATOM 1164 CG LEU A 75 -5.197 11.984 -29.699 1.00 54.33 C ATOM 1165 CD1 LEU A 75 -3.891 11.924 -30.476 1.00 62.31 C ATOM 1166 CD2 LEU A 75 -5.759 13.398 -29.707 1.00 73.14 C ATOM 0 H LEU A 75 -6.920 8.712 -30.856 1.00 23.11 H new ATOM 0 HA LEU A 75 -6.259 9.940 -28.408 1.00 33.21 H new ATOM 0 HB2 LEU A 75 -5.708 10.377 -31.016 1.00 14.43 H new ATOM 0 HB3 LEU A 75 -6.977 11.568 -30.810 1.00 14.43 H new ATOM 0 HG LEU A 75 -4.994 11.700 -28.666 1.00 54.33 H new ATOM 0 HD11 LEU A 75 -3.180 12.631 -30.049 1.00 62.31 H new ATOM 0 HD12 LEU A 75 -3.479 10.916 -30.418 1.00 62.31 H new ATOM 0 HD13 LEU A 75 -4.076 12.181 -31.519 1.00 62.31 H new ATOM 0 HD21 LEU A 75 -5.022 14.085 -29.291 1.00 73.14 H new ATOM 0 HD22 LEU A 75 -5.992 13.691 -30.731 1.00 73.14 H new ATOM 0 HD23 LEU A 75 -6.667 13.432 -29.105 1.00 73.14 H new ATOM 1178 N ARG A 76 -9.240 10.657 -29.627 1.00 0.31 N ATOM 1179 CA ARG A 76 -10.536 11.232 -29.289 1.00 3.03 C ATOM 1180 C ARG A 76 -11.112 10.577 -28.037 1.00 62.11 C ATOM 1181 O ARG A 76 -11.567 11.261 -27.120 1.00 12.53 O ATOM 1182 CB ARG A 76 -11.510 11.069 -30.458 1.00 71.20 C ATOM 1183 CG ARG A 76 -11.765 12.358 -31.222 1.00 63.32 C ATOM 1184 CD ARG A 76 -13.247 12.558 -31.497 1.00 70.15 C ATOM 1185 NE ARG A 76 -13.548 13.926 -31.909 1.00 15.31 N ATOM 1186 CZ ARG A 76 -14.757 14.336 -32.273 1.00 30.34 C ATOM 1187 NH1 ARG A 76 -15.776 13.487 -32.275 1.00 4.40 N1+ ATOM 1188 NH2 ARG A 76 -14.952 15.598 -32.634 1.00 4.04 N ATOM 0 H ARG A 76 -9.204 10.207 -30.542 1.00 0.31 H new ATOM 0 HA ARG A 76 -10.394 12.294 -29.089 1.00 3.03 H new ATOM 0 HB2 ARG A 76 -11.117 10.320 -31.146 1.00 71.20 H new ATOM 0 HB3 ARG A 76 -12.458 10.687 -30.079 1.00 71.20 H new ATOM 0 HG2 ARG A 76 -11.383 13.203 -30.650 1.00 63.32 H new ATOM 0 HG3 ARG A 76 -11.218 12.338 -32.165 1.00 63.32 H new ATOM 0 HD2 ARG A 76 -13.568 11.866 -32.276 1.00 70.15 H new ATOM 0 HD3 ARG A 76 -13.818 12.316 -30.601 1.00 70.15 H new ATOM 0 HE ARG A 76 -12.787 14.605 -31.918 1.00 15.31 H new ATOM 0 HH11 ARG A 76 -15.632 12.516 -31.996 1.00 4.40 H new ATOM 0 HH12 ARG A 76 -16.704 13.805 -32.555 1.00 4.40 H new ATOM 0 HH21 ARG A 76 -14.172 16.255 -32.632 1.00 4.04 H new ATOM 0 HH22 ARG A 76 -15.882 15.911 -32.913 1.00 4.04 H new ATOM 1202 N SER A 77 -11.090 9.248 -28.007 1.00 62.35 N ATOM 1203 CA SER A 77 -11.614 8.500 -26.871 1.00 75.44 C ATOM 1204 C SER A 77 -10.959 8.957 -25.571 1.00 43.11 C ATOM 1205 O SER A 77 -11.619 9.082 -24.539 1.00 4.12 O ATOM 1206 CB SER A 77 -11.387 7.001 -27.071 1.00 51.13 C ATOM 1207 OG SER A 77 -12.395 6.436 -27.890 1.00 61.41 O ATOM 0 H SER A 77 -10.715 8.667 -28.757 1.00 62.35 H new ATOM 0 HA SER A 77 -12.685 8.691 -26.805 1.00 75.44 H new ATOM 0 HB2 SER A 77 -10.410 6.836 -27.526 1.00 51.13 H new ATOM 0 HB3 SER A 77 -11.377 6.499 -26.103 1.00 51.13 H new ATOM 0 HG SER A 77 -12.007 6.172 -28.750 1.00 61.41 H new ATOM 1213 N LEU A 78 -9.656 9.206 -25.629 1.00 54.43 N ATOM 1214 CA LEU A 78 -8.908 9.650 -24.458 1.00 44.11 C ATOM 1215 C LEU A 78 -9.410 11.006 -23.973 1.00 40.23 C ATOM 1216 O LEU A 78 -9.820 11.152 -22.821 1.00 25.12 O ATOM 1217 CB LEU A 78 -7.415 9.731 -24.781 1.00 63.51 C ATOM 1218 CG LEU A 78 -6.548 8.590 -24.247 1.00 35.32 C ATOM 1219 CD1 LEU A 78 -6.672 8.491 -22.734 1.00 2.04 C ATOM 1220 CD2 LEU A 78 -6.936 7.274 -24.903 1.00 10.01 C ATOM 0 H LEU A 78 -9.095 9.108 -26.475 1.00 54.43 H new ATOM 0 HA LEU A 78 -9.061 8.921 -23.662 1.00 44.11 H new ATOM 0 HB2 LEU A 78 -7.300 9.771 -25.864 1.00 63.51 H new ATOM 0 HB3 LEU A 78 -7.029 10.670 -24.384 1.00 63.51 H new ATOM 0 HG LEU A 78 -5.508 8.802 -24.493 1.00 35.32 H new ATOM 0 HD11 LEU A 78 -6.049 7.674 -22.371 1.00 2.04 H new ATOM 0 HD12 LEU A 78 -6.345 9.427 -22.280 1.00 2.04 H new ATOM 0 HD13 LEU A 78 -7.711 8.301 -22.466 1.00 2.04 H new ATOM 0 HD21 LEU A 78 -6.309 6.473 -24.511 1.00 10.01 H new ATOM 0 HD22 LEU A 78 -7.982 7.054 -24.687 1.00 10.01 H new ATOM 0 HD23 LEU A 78 -6.796 7.350 -25.981 1.00 10.01 H new ATOM 1232 N TYR A 79 -9.377 11.995 -24.860 1.00 2.42 N ATOM 1233 CA TYR A 79 -9.828 13.339 -24.523 1.00 35.24 C ATOM 1234 C TYR A 79 -11.229 13.308 -23.919 1.00 30.13 C ATOM 1235 O TYR A 79 -11.575 14.143 -23.084 1.00 22.41 O ATOM 1236 CB TYR A 79 -9.815 14.231 -25.765 1.00 21.22 C ATOM 1237 CG TYR A 79 -9.592 15.694 -25.458 1.00 2.21 C ATOM 1238 CD1 TYR A 79 -8.413 16.126 -24.862 1.00 31.20 C ATOM 1239 CD2 TYR A 79 -10.558 16.645 -25.763 1.00 4.14 C ATOM 1240 CE1 TYR A 79 -8.204 17.462 -24.579 1.00 14.54 C ATOM 1241 CE2 TYR A 79 -10.357 17.982 -25.485 1.00 54.32 C ATOM 1242 CZ TYR A 79 -9.178 18.386 -24.893 1.00 32.11 C ATOM 1243 OH TYR A 79 -8.975 19.719 -24.612 1.00 25.12 O ATOM 0 H TYR A 79 -9.042 11.890 -25.818 1.00 2.42 H new ATOM 0 HA TYR A 79 -9.142 13.750 -23.782 1.00 35.24 H new ATOM 0 HB2 TYR A 79 -9.032 13.887 -26.441 1.00 21.22 H new ATOM 0 HB3 TYR A 79 -10.763 14.119 -26.292 1.00 21.22 H new ATOM 0 HD1 TYR A 79 -7.647 15.405 -24.616 1.00 31.20 H new ATOM 0 HD2 TYR A 79 -11.482 16.333 -26.226 1.00 4.14 H new ATOM 0 HE1 TYR A 79 -7.283 17.781 -24.114 1.00 14.54 H new ATOM 0 HE2 TYR A 79 -11.118 18.708 -25.730 1.00 54.32 H new ATOM 0 HH TYR A 79 -9.757 20.236 -24.897 1.00 25.12 H new ATOM 1253 N ASN A 80 -12.030 12.338 -24.347 1.00 43.54 N ATOM 1254 CA ASN A 80 -13.393 12.196 -23.849 1.00 43.24 C ATOM 1255 C ASN A 80 -13.397 11.738 -22.395 1.00 13.31 C ATOM 1256 O ASN A 80 -13.956 12.405 -21.524 1.00 31.34 O ATOM 1257 CB ASN A 80 -14.172 11.200 -24.712 1.00 12.21 C ATOM 1258 CG ASN A 80 -14.661 11.815 -26.008 1.00 62.14 C ATOM 1259 OD1 ASN A 80 -14.488 13.011 -26.244 1.00 72.54 O ATOM 1260 ND2 ASN A 80 -15.276 10.999 -26.856 1.00 12.40 N ATOM 0 H ASN A 80 -11.759 11.638 -25.038 1.00 43.54 H new ATOM 0 HA ASN A 80 -13.877 13.171 -23.904 1.00 43.24 H new ATOM 0 HB2 ASN A 80 -13.536 10.344 -24.937 1.00 12.21 H new ATOM 0 HB3 ASN A 80 -15.025 10.824 -24.147 1.00 12.21 H new ATOM 0 HD21 ASN A 80 -15.627 11.357 -27.744 1.00 12.40 H new ATOM 0 HD22 ASN A 80 -15.397 10.014 -26.619 1.00 12.40 H new ATOM 1267 N THR A 81 -12.767 10.596 -22.137 1.00 62.40 N ATOM 1268 CA THR A 81 -12.698 10.048 -20.789 1.00 73.20 C ATOM 1269 C THR A 81 -11.966 10.997 -19.847 1.00 23.31 C ATOM 1270 O THR A 81 -12.496 11.384 -18.805 1.00 3.01 O ATOM 1271 CB THR A 81 -11.990 8.680 -20.774 1.00 34.13 C ATOM 1272 OG1 THR A 81 -12.602 7.801 -21.724 1.00 24.31 O ATOM 1273 CG2 THR A 81 -12.047 8.056 -19.387 1.00 60.25 C ATOM 0 H THR A 81 -12.297 10.032 -22.845 1.00 62.40 H new ATOM 0 HA THR A 81 -13.725 9.921 -20.446 1.00 73.20 H new ATOM 0 HB THR A 81 -10.945 8.834 -21.043 1.00 34.13 H new ATOM 0 HG1 THR A 81 -12.324 8.053 -22.629 1.00 24.31 H new ATOM 0 HG21 THR A 81 -11.541 7.091 -19.401 1.00 60.25 H new ATOM 0 HG22 THR A 81 -11.554 8.714 -18.671 1.00 60.25 H new ATOM 0 HG23 THR A 81 -13.087 7.916 -19.094 1.00 60.25 H new ATOM 1281 N ILE A 82 -10.746 11.368 -20.220 1.00 53.13 N ATOM 1282 CA ILE A 82 -9.942 12.274 -19.407 1.00 64.15 C ATOM 1283 C ILE A 82 -10.714 13.546 -19.077 1.00 75.22 C ATOM 1284 O ILE A 82 -10.491 14.168 -18.037 1.00 43.10 O ATOM 1285 CB ILE A 82 -8.630 12.654 -20.120 1.00 11.34 C ATOM 1286 CG1 ILE A 82 -7.815 11.398 -20.437 1.00 42.03 C ATOM 1287 CG2 ILE A 82 -7.821 13.615 -19.260 1.00 45.12 C ATOM 1288 CD1 ILE A 82 -6.755 11.617 -21.494 1.00 34.33 C ATOM 0 H ILE A 82 -10.292 11.056 -21.079 1.00 53.13 H new ATOM 0 HA ILE A 82 -9.705 11.745 -18.484 1.00 64.15 H new ATOM 0 HB ILE A 82 -8.873 13.153 -21.058 1.00 11.34 H new ATOM 0 HG12 ILE A 82 -7.338 11.044 -19.523 1.00 42.03 H new ATOM 0 HG13 ILE A 82 -8.491 10.610 -20.769 1.00 42.03 H new ATOM 0 HG21 ILE A 82 -6.897 13.875 -19.776 1.00 45.12 H new ATOM 0 HG22 ILE A 82 -8.402 14.519 -19.079 1.00 45.12 H new ATOM 0 HG23 ILE A 82 -7.584 13.140 -18.308 1.00 45.12 H new ATOM 0 HD11 ILE A 82 -6.217 10.685 -21.668 1.00 34.33 H new ATOM 0 HD12 ILE A 82 -7.227 11.942 -22.421 1.00 34.33 H new ATOM 0 HD13 ILE A 82 -6.056 12.382 -21.156 1.00 34.33 H new ATOM 1300 N ALA A 83 -11.625 13.929 -19.967 1.00 34.12 N ATOM 1301 CA ALA A 83 -12.432 15.126 -19.767 1.00 24.42 C ATOM 1302 C ALA A 83 -13.443 14.924 -18.642 1.00 15.11 C ATOM 1303 O ALA A 83 -13.381 15.594 -17.611 1.00 53.24 O ATOM 1304 CB ALA A 83 -13.145 15.503 -21.057 1.00 24.14 C ATOM 0 H ALA A 83 -11.822 13.427 -20.833 1.00 34.12 H new ATOM 0 HA ALA A 83 -11.766 15.940 -19.481 1.00 24.42 H new ATOM 0 HB1 ALA A 83 -13.744 16.399 -20.893 1.00 24.14 H new ATOM 0 HB2 ALA A 83 -12.408 15.697 -21.837 1.00 24.14 H new ATOM 0 HB3 ALA A 83 -13.794 14.684 -21.367 1.00 24.14 H new ATOM 1310 N VAL A 84 -14.373 13.997 -18.847 1.00 34.12 N ATOM 1311 CA VAL A 84 -15.397 13.708 -17.850 1.00 12.10 C ATOM 1312 C VAL A 84 -14.773 13.443 -16.484 1.00 55.11 C ATOM 1313 O VAL A 84 -15.255 13.937 -15.463 1.00 42.53 O ATOM 1314 CB VAL A 84 -16.249 12.491 -18.257 1.00 51.43 C ATOM 1315 CG1 VAL A 84 -17.290 12.187 -17.190 1.00 54.40 C ATOM 1316 CG2 VAL A 84 -16.910 12.733 -19.605 1.00 21.41 C ATOM 0 H VAL A 84 -14.438 13.433 -19.694 1.00 34.12 H new ATOM 0 HA VAL A 84 -16.038 14.587 -17.790 1.00 12.10 H new ATOM 0 HB VAL A 84 -15.595 11.624 -18.349 1.00 51.43 H new ATOM 0 HG11 VAL A 84 -17.882 11.324 -17.495 1.00 54.40 H new ATOM 0 HG12 VAL A 84 -16.791 11.969 -16.246 1.00 54.40 H new ATOM 0 HG13 VAL A 84 -17.944 13.050 -17.063 1.00 54.40 H new ATOM 0 HG21 VAL A 84 -17.508 11.864 -19.878 1.00 21.41 H new ATOM 0 HG22 VAL A 84 -17.553 13.611 -19.543 1.00 21.41 H new ATOM 0 HG23 VAL A 84 -16.143 12.898 -20.362 1.00 21.41 H new ATOM 1326 N LEU A 85 -13.699 12.662 -16.471 1.00 70.35 N ATOM 1327 CA LEU A 85 -13.008 12.332 -15.230 1.00 14.34 C ATOM 1328 C LEU A 85 -12.483 13.591 -14.546 1.00 43.15 C ATOM 1329 O LEU A 85 -12.586 13.739 -13.329 1.00 24.24 O ATOM 1330 CB LEU A 85 -11.853 11.368 -15.506 1.00 43.24 C ATOM 1331 CG LEU A 85 -11.450 10.453 -14.351 1.00 3.22 C ATOM 1332 CD1 LEU A 85 -12.306 9.196 -14.342 1.00 65.32 C ATOM 1333 CD2 LEU A 85 -9.974 10.093 -14.444 1.00 12.14 C ATOM 0 H LEU A 85 -13.288 12.245 -17.306 1.00 70.35 H new ATOM 0 HA LEU A 85 -13.723 11.850 -14.563 1.00 14.34 H new ATOM 0 HB2 LEU A 85 -12.122 10.745 -16.359 1.00 43.24 H new ATOM 0 HB3 LEU A 85 -10.981 11.952 -15.801 1.00 43.24 H new ATOM 0 HG LEU A 85 -11.615 10.988 -13.416 1.00 3.22 H new ATOM 0 HD11 LEU A 85 -12.004 8.556 -13.512 1.00 65.32 H new ATOM 0 HD12 LEU A 85 -13.354 9.471 -14.226 1.00 65.32 H new ATOM 0 HD13 LEU A 85 -12.173 8.659 -15.281 1.00 65.32 H new ATOM 0 HD21 LEU A 85 -9.705 9.441 -13.613 1.00 12.14 H new ATOM 0 HD22 LEU A 85 -9.784 9.578 -15.386 1.00 12.14 H new ATOM 0 HD23 LEU A 85 -9.374 11.002 -14.400 1.00 12.14 H new ATOM 1345 N TYR A 86 -11.920 14.496 -15.339 1.00 64.25 N ATOM 1346 CA TYR A 86 -11.379 15.743 -14.812 1.00 43.54 C ATOM 1347 C TYR A 86 -12.446 16.521 -14.050 1.00 33.31 C ATOM 1348 O TYR A 86 -12.273 16.848 -12.875 1.00 60.31 O ATOM 1349 CB TYR A 86 -10.818 16.601 -15.947 1.00 61.32 C ATOM 1350 CG TYR A 86 -10.424 17.995 -15.515 1.00 30.10 C ATOM 1351 CD1 TYR A 86 -9.458 18.192 -14.536 1.00 75.25 C ATOM 1352 CD2 TYR A 86 -11.016 19.114 -16.087 1.00 52.22 C ATOM 1353 CE1 TYR A 86 -9.096 19.464 -14.137 1.00 55.53 C ATOM 1354 CE2 TYR A 86 -10.658 20.390 -15.695 1.00 71.13 C ATOM 1355 CZ TYR A 86 -9.697 20.560 -14.720 1.00 35.32 C ATOM 1356 OH TYR A 86 -9.337 21.828 -14.326 1.00 73.05 O ATOM 0 H TYR A 86 -11.826 14.389 -16.349 1.00 64.25 H new ATOM 0 HA TYR A 86 -10.573 15.496 -14.121 1.00 43.54 H new ATOM 0 HB2 TYR A 86 -9.947 16.102 -16.372 1.00 61.32 H new ATOM 0 HB3 TYR A 86 -11.563 16.672 -16.739 1.00 61.32 H new ATOM 0 HD1 TYR A 86 -8.982 17.337 -14.079 1.00 75.25 H new ATOM 0 HD2 TYR A 86 -11.769 18.985 -16.851 1.00 52.22 H new ATOM 0 HE1 TYR A 86 -8.346 19.600 -13.372 1.00 55.53 H new ATOM 0 HE2 TYR A 86 -11.128 21.250 -16.150 1.00 71.13 H new ATOM 0 HH TYR A 86 -9.853 22.488 -14.835 1.00 73.05 H new ATOM 1366 N CYS A 87 -13.551 16.815 -14.727 1.00 75.41 N ATOM 1367 CA CYS A 87 -14.649 17.556 -14.115 1.00 10.40 C ATOM 1368 C CYS A 87 -15.070 16.912 -12.798 1.00 75.54 C ATOM 1369 O CYS A 87 -15.392 17.605 -11.832 1.00 62.11 O ATOM 1370 CB CYS A 87 -15.842 17.622 -15.070 1.00 3.23 C ATOM 1371 SG CYS A 87 -15.898 19.122 -16.078 1.00 33.32 S ATOM 0 H CYS A 87 -13.710 16.552 -15.699 1.00 75.41 H new ATOM 0 HA CYS A 87 -14.302 18.569 -13.909 1.00 10.40 H new ATOM 0 HB2 CYS A 87 -15.814 16.755 -15.730 1.00 3.23 H new ATOM 0 HB3 CYS A 87 -16.762 17.552 -14.490 1.00 3.23 H new ATOM 0 HG CYS A 87 -17.040 19.187 -16.696 1.00 33.32 H new ATOM 1377 N VAL A 88 -15.069 15.584 -12.766 1.00 51.04 N ATOM 1378 CA VAL A 88 -15.452 14.847 -11.569 1.00 33.53 C ATOM 1379 C VAL A 88 -14.548 15.200 -10.393 1.00 72.24 C ATOM 1380 O VAL A 88 -15.005 15.312 -9.255 1.00 21.01 O ATOM 1381 CB VAL A 88 -15.398 13.326 -11.804 1.00 71.43 C ATOM 1382 CG1 VAL A 88 -15.774 12.575 -10.536 1.00 14.44 C ATOM 1383 CG2 VAL A 88 -16.311 12.933 -12.956 1.00 53.03 C ATOM 0 H VAL A 88 -14.807 14.996 -13.557 1.00 51.04 H new ATOM 0 HA VAL A 88 -16.477 15.135 -11.336 1.00 33.53 H new ATOM 0 HB VAL A 88 -14.377 13.053 -12.069 1.00 71.43 H new ATOM 0 HG11 VAL A 88 -15.730 11.502 -10.722 1.00 14.44 H new ATOM 0 HG12 VAL A 88 -15.077 12.834 -9.739 1.00 14.44 H new ATOM 0 HG13 VAL A 88 -16.785 12.850 -10.237 1.00 14.44 H new ATOM 0 HG21 VAL A 88 -16.261 11.855 -13.109 1.00 53.03 H new ATOM 0 HG22 VAL A 88 -17.336 13.219 -12.721 1.00 53.03 H new ATOM 0 HG23 VAL A 88 -15.991 13.443 -13.864 1.00 53.03 H new ATOM 1393 N HIS A 89 -13.261 15.376 -10.675 1.00 51.23 N ATOM 1394 CA HIS A 89 -12.290 15.719 -9.641 1.00 42.24 C ATOM 1395 C HIS A 89 -12.339 17.211 -9.325 1.00 2.21 C ATOM 1396 O HIS A 89 -11.841 17.579 -8.261 1.00 5.02 O ATOM 1397 CB HIS A 89 -10.881 15.325 -10.085 1.00 54.24 C ATOM 1398 CG HIS A 89 -10.689 13.847 -10.229 1.00 54.32 C ATOM 1399 ND1 HIS A 89 -11.346 12.923 -9.445 1.00 73.03 N ATOM 1400 CD2 HIS A 89 -9.907 13.133 -11.072 1.00 55.35 C ATOM 1401 CE1 HIS A 89 -10.978 11.705 -9.801 1.00 14.51 C ATOM 1402 NE2 HIS A 89 -10.105 11.806 -10.787 1.00 54.24 N ATOM 0 H HIS A 89 -12.866 15.287 -11.611 1.00 51.23 H new ATOM 0 HA HIS A 89 -12.546 15.166 -8.737 1.00 42.24 H new ATOM 0 HB2 HIS A 89 -10.662 15.806 -11.038 1.00 54.24 H new ATOM 0 HB3 HIS A 89 -10.161 15.708 -9.362 1.00 54.24 H new ATOM 0 HD1 HIS A 89 -12.012 13.145 -8.705 1.00 73.03 H new ATOM 0 HD2 HIS A 89 -9.249 13.534 -11.829 1.00 55.35 H new ATOM 0 HE1 HIS A 89 -11.331 10.784 -9.361 1.00 14.51 H new ATOM 0 HE2 HIS A 89 -9.652 11.024 -11.260 1.00 54.24 H new ATOM 1411 N GLN A 90 -12.905 18.048 -10.188 1.00 64.12 N ATOM 1412 CA GLN A 90 -12.973 19.481 -9.929 1.00 31.23 C ATOM 1413 C GLN A 90 -14.325 19.862 -9.333 1.00 70.14 C ATOM 1414 O GLN A 90 -14.778 20.998 -9.474 1.00 61.13 O ATOM 1415 CB GLN A 90 -12.731 20.267 -11.218 1.00 5.20 C ATOM 1416 CG GLN A 90 -12.166 21.659 -10.986 1.00 5.44 C ATOM 1417 CD GLN A 90 -10.856 21.637 -10.222 1.00 23.10 C ATOM 1418 OE1 GLN A 90 -10.829 21.836 -9.007 1.00 62.23 O ATOM 1419 NE2 GLN A 90 -9.760 21.393 -10.931 1.00 33.42 N ATOM 0 H GLN A 90 -13.323 17.759 -11.072 1.00 64.12 H new ATOM 0 HA GLN A 90 -12.194 19.732 -9.209 1.00 31.23 H new ATOM 0 HB2 GLN A 90 -12.044 19.706 -11.852 1.00 5.20 H new ATOM 0 HB3 GLN A 90 -13.671 20.352 -11.764 1.00 5.20 H new ATOM 0 HG2 GLN A 90 -12.014 22.150 -11.947 1.00 5.44 H new ATOM 0 HG3 GLN A 90 -12.894 22.255 -10.435 1.00 5.44 H new ATOM 0 HE21 GLN A 90 -9.828 21.234 -11.936 1.00 33.42 H new ATOM 0 HE22 GLN A 90 -8.850 21.365 -10.470 1.00 33.42 H new ATOM 1428 N ARG A 91 -14.964 18.906 -8.669 1.00 31.11 N ATOM 1429 CA ARG A 91 -16.265 19.141 -8.053 1.00 61.41 C ATOM 1430 C ARG A 91 -17.290 19.575 -9.097 1.00 50.13 C ATOM 1431 O ARG A 91 -18.146 20.418 -8.828 1.00 21.11 O ATOM 1432 CB ARG A 91 -16.151 20.206 -6.961 1.00 61.42 C ATOM 1433 CG ARG A 91 -17.229 20.102 -5.894 1.00 42.40 C ATOM 1434 CD ARG A 91 -17.578 21.466 -5.320 1.00 52.24 C ATOM 1435 NE ARG A 91 -19.006 21.594 -5.042 1.00 23.42 N ATOM 1436 CZ ARG A 91 -19.606 22.753 -4.792 1.00 2.53 C ATOM 1437 NH1 ARG A 91 -18.905 23.877 -4.786 1.00 13.32 N1+ ATOM 1438 NH2 ARG A 91 -20.910 22.787 -4.548 1.00 1.32 N ATOM 0 H ARG A 91 -14.603 17.961 -8.543 1.00 31.11 H new ATOM 0 HA ARG A 91 -16.601 18.206 -7.605 1.00 61.41 H new ATOM 0 HB2 ARG A 91 -15.173 20.125 -6.487 1.00 61.42 H new ATOM 0 HB3 ARG A 91 -16.201 21.193 -7.421 1.00 61.42 H new ATOM 0 HG2 ARG A 91 -18.122 19.646 -6.321 1.00 42.40 H new ATOM 0 HG3 ARG A 91 -16.888 19.446 -5.093 1.00 42.40 H new ATOM 0 HD2 ARG A 91 -17.014 21.628 -4.401 1.00 52.24 H new ATOM 0 HD3 ARG A 91 -17.274 22.243 -6.022 1.00 52.24 H new ATOM 0 HE ARG A 91 -19.574 20.747 -5.040 1.00 23.42 H new ATOM 0 HH11 ARG A 91 -17.903 23.854 -4.974 1.00 13.32 H new ATOM 0 HH12 ARG A 91 -19.368 24.766 -4.594 1.00 13.32 H new ATOM 0 HH21 ARG A 91 -21.452 21.923 -4.552 1.00 1.32 H new ATOM 0 HH22 ARG A 91 -21.370 23.677 -4.356 1.00 1.32 H new ATOM 1452 N ILE A 92 -17.194 18.995 -10.289 1.00 62.43 N ATOM 1453 CA ILE A 92 -18.113 19.322 -11.372 1.00 63.21 C ATOM 1454 C ILE A 92 -18.987 18.126 -11.733 1.00 34.14 C ATOM 1455 O ILE A 92 -18.534 16.981 -11.702 1.00 11.22 O ATOM 1456 CB ILE A 92 -17.356 19.788 -12.631 1.00 25.21 C ATOM 1457 CG1 ILE A 92 -16.351 20.884 -12.272 1.00 62.41 C ATOM 1458 CG2 ILE A 92 -18.336 20.283 -13.684 1.00 45.21 C ATOM 1459 CD1 ILE A 92 -15.555 21.384 -13.456 1.00 41.54 C ATOM 0 H ILE A 92 -16.490 18.297 -10.529 1.00 62.43 H new ATOM 0 HA ILE A 92 -18.744 20.135 -11.014 1.00 63.21 H new ATOM 0 HB ILE A 92 -16.808 18.941 -13.043 1.00 25.21 H new ATOM 0 HG12 ILE A 92 -16.884 21.722 -11.823 1.00 62.41 H new ATOM 0 HG13 ILE A 92 -15.663 20.502 -11.517 1.00 62.41 H new ATOM 0 HG21 ILE A 92 -17.787 20.609 -14.567 1.00 45.21 H new ATOM 0 HG22 ILE A 92 -19.016 19.476 -13.957 1.00 45.21 H new ATOM 0 HG23 ILE A 92 -18.908 21.120 -13.284 1.00 45.21 H new ATOM 0 HD11 ILE A 92 -14.863 22.159 -13.128 1.00 41.54 H new ATOM 0 HD12 ILE A 92 -14.994 20.558 -13.892 1.00 41.54 H new ATOM 0 HD13 ILE A 92 -16.234 21.796 -14.203 1.00 41.54 H new ATOM 1471 N ASP A 93 -20.242 18.398 -12.074 1.00 11.13 N ATOM 1472 CA ASP A 93 -21.180 17.344 -12.442 1.00 61.13 C ATOM 1473 C ASP A 93 -21.800 17.621 -13.808 1.00 55.34 C ATOM 1474 O ASP A 93 -22.624 18.524 -13.956 1.00 11.41 O ATOM 1475 CB ASP A 93 -22.278 17.218 -11.385 1.00 63.53 C ATOM 1476 CG ASP A 93 -21.721 17.093 -9.982 1.00 24.14 C ATOM 1477 OD1 ASP A 93 -20.856 16.219 -9.763 1.00 4.25 O1- ATOM 1478 OD2 ASP A 93 -22.149 17.868 -9.101 1.00 24.23 O ATOM 0 H ASP A 93 -20.633 19.340 -12.103 1.00 11.13 H new ATOM 0 HA ASP A 93 -20.630 16.404 -12.497 1.00 61.13 H new ATOM 0 HB2 ASP A 93 -22.930 18.090 -11.437 1.00 63.53 H new ATOM 0 HB3 ASP A 93 -22.893 16.346 -11.607 1.00 63.53 H new ATOM 1483 N VAL A 94 -21.396 16.841 -14.805 1.00 25.14 N ATOM 1484 CA VAL A 94 -21.912 17.002 -16.159 1.00 64.51 C ATOM 1485 C VAL A 94 -22.835 15.848 -16.537 1.00 73.13 C ATOM 1486 O VAL A 94 -22.902 14.837 -15.838 1.00 45.33 O ATOM 1487 CB VAL A 94 -20.769 17.089 -17.188 1.00 24.20 C ATOM 1488 CG1 VAL A 94 -19.870 18.279 -16.888 1.00 23.23 C ATOM 1489 CG2 VAL A 94 -19.968 15.797 -17.205 1.00 24.44 C ATOM 0 H VAL A 94 -20.713 16.091 -14.701 1.00 25.14 H new ATOM 0 HA VAL A 94 -22.477 17.934 -16.174 1.00 64.51 H new ATOM 0 HB VAL A 94 -21.204 17.233 -18.177 1.00 24.20 H new ATOM 0 HG11 VAL A 94 -19.068 18.324 -17.625 1.00 23.23 H new ATOM 0 HG12 VAL A 94 -20.455 19.197 -16.932 1.00 23.23 H new ATOM 0 HG13 VAL A 94 -19.441 18.169 -15.892 1.00 23.23 H new ATOM 0 HG21 VAL A 94 -19.165 15.876 -17.938 1.00 24.44 H new ATOM 0 HG22 VAL A 94 -19.542 15.620 -16.217 1.00 24.44 H new ATOM 0 HG23 VAL A 94 -20.622 14.967 -17.472 1.00 24.44 H new ATOM 1499 N LYS A 95 -23.545 16.006 -17.649 1.00 21.21 N ATOM 1500 CA LYS A 95 -24.463 14.977 -18.123 1.00 73.34 C ATOM 1501 C LYS A 95 -23.805 14.110 -19.190 1.00 42.30 C ATOM 1502 O LYS A 95 -24.034 12.901 -19.249 1.00 41.03 O ATOM 1503 CB LYS A 95 -25.734 15.619 -18.686 1.00 15.44 C ATOM 1504 CG LYS A 95 -26.930 14.684 -18.707 1.00 41.31 C ATOM 1505 CD LYS A 95 -27.756 14.806 -17.438 1.00 23.14 C ATOM 1506 CE LYS A 95 -29.201 15.164 -17.745 1.00 64.20 C ATOM 1507 NZ LYS A 95 -29.352 16.601 -18.104 1.00 74.55 N1+ ATOM 0 H LYS A 95 -23.502 16.837 -18.239 1.00 21.21 H new ATOM 0 HA LYS A 95 -24.727 14.343 -17.276 1.00 73.34 H new ATOM 0 HB2 LYS A 95 -25.981 16.498 -18.091 1.00 15.44 H new ATOM 0 HB3 LYS A 95 -25.537 15.966 -19.700 1.00 15.44 H new ATOM 0 HG2 LYS A 95 -27.554 14.910 -19.572 1.00 41.31 H new ATOM 0 HG3 LYS A 95 -26.587 13.656 -18.821 1.00 41.31 H new ATOM 0 HD2 LYS A 95 -27.722 13.865 -16.889 1.00 23.14 H new ATOM 0 HD3 LYS A 95 -27.321 15.568 -16.791 1.00 23.14 H new ATOM 0 HE2 LYS A 95 -29.562 14.545 -18.566 1.00 64.20 H new ATOM 0 HE3 LYS A 95 -29.823 14.939 -16.879 1.00 64.20 H new ATOM 0 HZ1 LYS A 95 -30.352 16.805 -18.306 1.00 74.55 H new ATOM 0 HZ2 LYS A 95 -29.031 17.192 -17.311 1.00 74.55 H new ATOM 0 HZ3 LYS A 95 -28.779 16.811 -18.946 1.00 74.55 H new ATOM 1521 N ASP A 96 -22.985 14.733 -20.029 1.00 2.21 N ATOM 1522 CA ASP A 96 -22.290 14.016 -21.092 1.00 63.23 C ATOM 1523 C ASP A 96 -20.863 14.530 -21.252 1.00 20.10 C ATOM 1524 O ASP A 96 -20.478 15.529 -20.641 1.00 24.34 O ATOM 1525 CB ASP A 96 -23.048 14.159 -22.413 1.00 42.44 C ATOM 1526 CG ASP A 96 -23.668 15.533 -22.578 1.00 61.33 C ATOM 1527 OD1 ASP A 96 -22.926 16.485 -22.902 1.00 31.15 O ATOM 1528 OD2 ASP A 96 -24.895 15.656 -22.387 1.00 33.43 O1- ATOM 0 H ASP A 96 -22.785 15.733 -19.994 1.00 2.21 H new ATOM 0 HA ASP A 96 -22.248 12.962 -20.818 1.00 63.23 H new ATOM 0 HB2 ASP A 96 -22.367 13.969 -23.242 1.00 42.44 H new ATOM 0 HB3 ASP A 96 -23.830 13.402 -22.464 1.00 42.44 H new ATOM 1533 N THR A 97 -20.079 13.842 -22.078 1.00 35.41 N ATOM 1534 CA THR A 97 -18.695 14.228 -22.316 1.00 4.52 C ATOM 1535 C THR A 97 -18.607 15.642 -22.877 1.00 42.31 C ATOM 1536 O THR A 97 -17.701 16.403 -22.532 1.00 25.13 O ATOM 1537 CB THR A 97 -18.001 13.257 -23.290 1.00 61.22 C ATOM 1538 OG1 THR A 97 -18.047 11.924 -22.770 1.00 32.12 O ATOM 1539 CG2 THR A 97 -16.554 13.666 -23.524 1.00 72.53 C ATOM 0 H THR A 97 -20.380 13.015 -22.593 1.00 35.41 H new ATOM 0 HA THR A 97 -18.186 14.190 -21.353 1.00 4.52 H new ATOM 0 HB THR A 97 -18.531 13.293 -24.242 1.00 61.22 H new ATOM 0 HG1 THR A 97 -18.120 11.286 -23.511 1.00 32.12 H new ATOM 0 HG21 THR A 97 -16.085 12.965 -24.215 1.00 72.53 H new ATOM 0 HG22 THR A 97 -16.524 14.670 -23.948 1.00 72.53 H new ATOM 0 HG23 THR A 97 -16.015 13.656 -22.576 1.00 72.53 H new ATOM 1547 N LYS A 98 -19.552 15.990 -23.742 1.00 61.25 N ATOM 1548 CA LYS A 98 -19.584 17.316 -24.350 1.00 45.42 C ATOM 1549 C LYS A 98 -19.819 18.392 -23.297 1.00 0.31 C ATOM 1550 O LYS A 98 -19.153 19.427 -23.295 1.00 51.12 O ATOM 1551 CB LYS A 98 -20.678 17.384 -25.418 1.00 20.22 C ATOM 1552 CG LYS A 98 -20.365 18.346 -26.550 1.00 74.11 C ATOM 1553 CD LYS A 98 -21.542 19.259 -26.848 1.00 32.33 C ATOM 1554 CE LYS A 98 -21.327 20.046 -28.132 1.00 31.42 C ATOM 1555 NZ LYS A 98 -21.675 19.246 -29.338 1.00 65.41 N1+ ATOM 0 H LYS A 98 -20.307 15.372 -24.039 1.00 61.25 H new ATOM 0 HA LYS A 98 -18.616 17.497 -24.818 1.00 45.42 H new ATOM 0 HB2 LYS A 98 -20.832 16.387 -25.832 1.00 20.22 H new ATOM 0 HB3 LYS A 98 -21.615 17.682 -24.948 1.00 20.22 H new ATOM 0 HG2 LYS A 98 -19.495 18.947 -26.287 1.00 74.11 H new ATOM 0 HG3 LYS A 98 -20.105 17.782 -27.446 1.00 74.11 H new ATOM 0 HD2 LYS A 98 -22.452 18.665 -26.932 1.00 32.33 H new ATOM 0 HD3 LYS A 98 -21.688 19.949 -26.017 1.00 32.33 H new ATOM 0 HE2 LYS A 98 -21.934 20.951 -28.109 1.00 31.42 H new ATOM 0 HE3 LYS A 98 -20.286 20.362 -28.194 1.00 31.42 H new ATOM 0 HZ1 LYS A 98 -21.515 19.818 -30.192 1.00 65.41 H new ATOM 0 HZ2 LYS A 98 -21.078 18.395 -29.374 1.00 65.41 H new ATOM 0 HZ3 LYS A 98 -22.675 18.966 -29.292 1.00 65.41 H new ATOM 1569 N GLU A 99 -20.768 18.141 -22.400 1.00 4.42 N ATOM 1570 CA GLU A 99 -21.089 19.089 -21.342 1.00 14.34 C ATOM 1571 C GLU A 99 -19.856 19.399 -20.496 1.00 50.32 C ATOM 1572 O GLU A 99 -19.692 20.515 -20.004 1.00 44.32 O ATOM 1573 CB GLU A 99 -22.204 18.536 -20.451 1.00 65.13 C ATOM 1574 CG GLU A 99 -23.562 19.164 -20.717 1.00 11.31 C ATOM 1575 CD GLU A 99 -23.762 20.463 -19.959 1.00 4.12 C ATOM 1576 OE1 GLU A 99 -24.085 20.403 -18.754 1.00 71.55 O1- ATOM 1577 OE2 GLU A 99 -23.595 21.537 -20.572 1.00 54.43 O ATOM 0 H GLU A 99 -21.327 17.288 -22.386 1.00 4.42 H new ATOM 0 HA GLU A 99 -21.431 20.012 -21.809 1.00 14.34 H new ATOM 0 HB2 GLU A 99 -22.276 17.459 -20.599 1.00 65.13 H new ATOM 0 HB3 GLU A 99 -21.937 18.697 -19.407 1.00 65.13 H new ATOM 0 HG2 GLU A 99 -23.669 19.351 -21.786 1.00 11.31 H new ATOM 0 HG3 GLU A 99 -24.345 18.460 -20.437 1.00 11.31 H new ATOM 1584 N ALA A 100 -18.992 18.403 -20.333 1.00 23.42 N ATOM 1585 CA ALA A 100 -17.774 18.568 -19.550 1.00 51.10 C ATOM 1586 C ALA A 100 -16.713 19.328 -20.339 1.00 2.25 C ATOM 1587 O ALA A 100 -15.973 20.140 -19.781 1.00 22.30 O ATOM 1588 CB ALA A 100 -17.239 17.212 -19.113 1.00 34.43 C ATOM 0 H ALA A 100 -19.113 17.473 -20.733 1.00 23.42 H new ATOM 0 HA ALA A 100 -18.018 19.153 -18.663 1.00 51.10 H new ATOM 0 HB1 ALA A 100 -16.329 17.351 -18.529 1.00 34.43 H new ATOM 0 HB2 ALA A 100 -17.987 16.705 -18.504 1.00 34.43 H new ATOM 0 HB3 ALA A 100 -17.017 16.608 -19.993 1.00 34.43 H new ATOM 1594 N LEU A 101 -16.644 19.059 -21.637 1.00 43.42 N ATOM 1595 CA LEU A 101 -15.672 19.717 -22.504 1.00 14.41 C ATOM 1596 C LEU A 101 -15.924 21.220 -22.563 1.00 33.24 C ATOM 1597 O LEU A 101 -14.992 22.020 -22.481 1.00 50.12 O ATOM 1598 CB LEU A 101 -15.730 19.124 -23.912 1.00 61.54 C ATOM 1599 CG LEU A 101 -14.425 18.534 -24.447 1.00 62.04 C ATOM 1600 CD1 LEU A 101 -13.341 19.599 -24.501 1.00 61.02 C ATOM 1601 CD2 LEU A 101 -13.979 17.360 -23.589 1.00 63.03 C ATOM 0 H LEU A 101 -17.249 18.390 -22.113 1.00 43.42 H new ATOM 0 HA LEU A 101 -14.679 19.549 -22.087 1.00 14.41 H new ATOM 0 HB2 LEU A 101 -16.490 18.343 -23.924 1.00 61.54 H new ATOM 0 HB3 LEU A 101 -16.062 19.903 -24.599 1.00 61.54 H new ATOM 0 HG LEU A 101 -14.601 18.172 -25.460 1.00 62.04 H new ATOM 0 HD11 LEU A 101 -12.419 19.161 -24.884 1.00 61.02 H new ATOM 0 HD12 LEU A 101 -13.659 20.409 -25.158 1.00 61.02 H new ATOM 0 HD13 LEU A 101 -13.167 19.992 -23.499 1.00 61.02 H new ATOM 0 HD21 LEU A 101 -13.049 16.953 -23.985 1.00 63.03 H new ATOM 0 HD22 LEU A 101 -13.821 17.697 -22.565 1.00 63.03 H new ATOM 0 HD23 LEU A 101 -14.748 16.587 -23.602 1.00 63.03 H new ATOM 1613 N ASP A 102 -17.191 21.597 -22.702 1.00 12.02 N ATOM 1614 CA ASP A 102 -17.567 23.004 -22.768 1.00 52.32 C ATOM 1615 C ASP A 102 -17.068 23.758 -21.538 1.00 64.41 C ATOM 1616 O ASP A 102 -16.733 24.940 -21.615 1.00 42.42 O ATOM 1617 CB ASP A 102 -19.086 23.143 -22.885 1.00 54.15 C ATOM 1618 CG ASP A 102 -19.500 24.464 -23.504 1.00 53.33 C ATOM 1619 OD1 ASP A 102 -19.295 24.638 -24.724 1.00 53.23 O ATOM 1620 OD2 ASP A 102 -20.031 25.322 -22.769 1.00 50.25 O1- ATOM 0 H ASP A 102 -17.974 20.947 -22.771 1.00 12.02 H new ATOM 0 HA ASP A 102 -17.101 23.438 -23.652 1.00 52.32 H new ATOM 0 HB2 ASP A 102 -19.478 22.324 -23.488 1.00 54.15 H new ATOM 0 HB3 ASP A 102 -19.534 23.053 -21.895 1.00 54.15 H new ATOM 1625 N LYS A 103 -17.024 23.067 -20.404 1.00 44.42 N ATOM 1626 CA LYS A 103 -16.565 23.670 -19.158 1.00 25.42 C ATOM 1627 C LYS A 103 -15.061 23.916 -19.193 1.00 20.44 C ATOM 1628 O LYS A 103 -14.587 24.978 -18.789 1.00 24.13 O ATOM 1629 CB LYS A 103 -16.919 22.769 -17.972 1.00 24.20 C ATOM 1630 CG LYS A 103 -18.404 22.473 -17.855 1.00 2.25 C ATOM 1631 CD LYS A 103 -19.133 23.568 -17.095 1.00 3.25 C ATOM 1632 CE LYS A 103 -20.269 23.003 -16.257 1.00 25.50 C ATOM 1633 NZ LYS A 103 -20.523 23.823 -15.040 1.00 62.14 N1+ ATOM 0 H LYS A 103 -17.301 22.089 -20.322 1.00 44.42 H new ATOM 0 HA LYS A 103 -17.068 24.630 -19.041 1.00 25.42 H new ATOM 0 HB2 LYS A 103 -16.376 21.829 -18.066 1.00 24.20 H new ATOM 0 HB3 LYS A 103 -16.578 23.243 -17.052 1.00 24.20 H new ATOM 0 HG2 LYS A 103 -18.835 22.371 -18.851 1.00 2.25 H new ATOM 0 HG3 LYS A 103 -18.547 21.519 -17.347 1.00 2.25 H new ATOM 0 HD2 LYS A 103 -18.430 24.094 -16.449 1.00 3.25 H new ATOM 0 HD3 LYS A 103 -19.528 24.300 -17.799 1.00 3.25 H new ATOM 0 HE2 LYS A 103 -21.176 22.957 -16.859 1.00 25.50 H new ATOM 0 HE3 LYS A 103 -20.030 21.981 -15.963 1.00 25.50 H new ATOM 0 HZ1 LYS A 103 -21.304 23.404 -14.496 1.00 62.14 H new ATOM 0 HZ2 LYS A 103 -19.666 23.846 -14.452 1.00 62.14 H new ATOM 0 HZ3 LYS A 103 -20.777 24.792 -15.321 1.00 62.14 H new ATOM 1647 N ILE A 104 -14.316 22.929 -19.679 1.00 3.13 N ATOM 1648 CA ILE A 104 -12.865 23.040 -19.769 1.00 33.34 C ATOM 1649 C ILE A 104 -12.457 24.065 -20.821 1.00 10.42 C ATOM 1650 O ILE A 104 -11.525 24.842 -20.615 1.00 23.21 O ATOM 1651 CB ILE A 104 -12.217 21.685 -20.107 1.00 44.23 C ATOM 1652 CG1 ILE A 104 -12.621 20.628 -19.078 1.00 70.32 C ATOM 1653 CG2 ILE A 104 -10.702 21.822 -20.167 1.00 73.25 C ATOM 1654 CD1 ILE A 104 -12.287 19.215 -19.499 1.00 3.44 C ATOM 0 H ILE A 104 -14.693 22.043 -20.017 1.00 3.13 H new ATOM 0 HA ILE A 104 -12.511 23.367 -18.791 1.00 33.34 H new ATOM 0 HB ILE A 104 -12.573 21.365 -21.086 1.00 44.23 H new ATOM 0 HG12 ILE A 104 -12.123 20.844 -18.133 1.00 70.32 H new ATOM 0 HG13 ILE A 104 -13.693 20.700 -18.897 1.00 70.32 H new ATOM 0 HG21 ILE A 104 -10.259 20.856 -20.407 1.00 73.25 H new ATOM 0 HG22 ILE A 104 -10.432 22.546 -20.936 1.00 73.25 H new ATOM 0 HG23 ILE A 104 -10.329 22.163 -19.201 1.00 73.25 H new ATOM 0 HD11 ILE A 104 -12.602 18.520 -18.721 1.00 3.44 H new ATOM 0 HD12 ILE A 104 -12.806 18.980 -20.428 1.00 3.44 H new ATOM 0 HD13 ILE A 104 -11.212 19.126 -19.652 1.00 3.44 H new ATOM 1666 N GLU A 105 -13.161 24.060 -21.948 1.00 72.33 N ATOM 1667 CA GLU A 105 -12.872 24.991 -23.032 1.00 72.33 C ATOM 1668 C GLU A 105 -13.221 26.421 -22.630 1.00 41.11 C ATOM 1669 O GLU A 105 -12.445 27.348 -22.860 1.00 61.10 O ATOM 1670 CB GLU A 105 -13.648 24.600 -24.291 1.00 62.30 C ATOM 1671 CG GLU A 105 -13.039 25.138 -25.575 1.00 0.35 C ATOM 1672 CD GLU A 105 -13.963 24.987 -26.768 1.00 72.40 C ATOM 1673 OE1 GLU A 105 -15.151 24.663 -26.560 1.00 31.22 O ATOM 1674 OE2 GLU A 105 -13.498 25.192 -27.908 1.00 21.43 O1- ATOM 0 H GLU A 105 -13.935 23.422 -22.134 1.00 72.33 H new ATOM 0 HA GLU A 105 -11.804 24.942 -23.242 1.00 72.33 H new ATOM 0 HB2 GLU A 105 -13.701 23.513 -24.352 1.00 62.30 H new ATOM 0 HB3 GLU A 105 -14.672 24.964 -24.204 1.00 62.30 H new ATOM 0 HG2 GLU A 105 -12.793 26.191 -25.442 1.00 0.35 H new ATOM 0 HG3 GLU A 105 -12.104 24.615 -25.776 1.00 0.35 H new ATOM 1681 N GLU A 106 -14.394 26.591 -22.029 1.00 30.10 N ATOM 1682 CA GLU A 106 -14.846 27.908 -21.596 1.00 71.30 C ATOM 1683 C GLU A 106 -13.898 28.494 -20.553 1.00 25.53 C ATOM 1684 O GLU A 106 -13.549 29.672 -20.610 1.00 32.33 O ATOM 1685 CB GLU A 106 -16.263 27.822 -21.023 1.00 13.22 C ATOM 1686 CG GLU A 106 -16.903 29.178 -20.778 1.00 11.24 C ATOM 1687 CD GLU A 106 -17.244 29.407 -19.317 1.00 41.21 C ATOM 1688 OE1 GLU A 106 -16.324 29.333 -18.475 1.00 61.42 O ATOM 1689 OE2 GLU A 106 -18.429 29.660 -19.017 1.00 14.14 O1- ATOM 0 H GLU A 106 -15.048 25.834 -21.831 1.00 30.10 H new ATOM 0 HA GLU A 106 -14.852 28.566 -22.465 1.00 71.30 H new ATOM 0 HB2 GLU A 106 -16.890 27.252 -21.709 1.00 13.22 H new ATOM 0 HB3 GLU A 106 -16.233 27.269 -20.084 1.00 13.22 H new ATOM 0 HG2 GLU A 106 -16.225 29.962 -21.116 1.00 11.24 H new ATOM 0 HG3 GLU A 106 -17.810 29.261 -21.376 1.00 11.24 H new ATOM 1696 N GLU A 107 -13.487 27.661 -19.602 1.00 2.31 N ATOM 1697 CA GLU A 107 -12.581 28.096 -18.546 1.00 54.02 C ATOM 1698 C GLU A 107 -11.328 28.738 -19.135 1.00 22.32 C ATOM 1699 O GLU A 107 -10.894 29.798 -18.687 1.00 55.25 O ATOM 1700 CB GLU A 107 -12.191 26.913 -17.658 1.00 31.43 C ATOM 1701 CG GLU A 107 -11.698 27.323 -16.279 1.00 64.02 C ATOM 1702 CD GLU A 107 -10.555 26.456 -15.787 1.00 21.41 C ATOM 1703 OE1 GLU A 107 -10.827 25.349 -15.277 1.00 44.32 O1- ATOM 1704 OE2 GLU A 107 -9.390 26.886 -15.913 1.00 4.13 O ATOM 0 H GLU A 107 -13.767 26.682 -19.541 1.00 2.31 H new ATOM 0 HA GLU A 107 -13.100 28.839 -17.941 1.00 54.02 H new ATOM 0 HB2 GLU A 107 -13.052 26.254 -17.546 1.00 31.43 H new ATOM 0 HB3 GLU A 107 -11.412 26.337 -18.157 1.00 31.43 H new ATOM 0 HG2 GLU A 107 -11.374 28.363 -16.307 1.00 64.02 H new ATOM 0 HG3 GLU A 107 -12.524 27.266 -15.570 1.00 64.02 H new ATOM 1711 N GLN A 108 -10.754 28.087 -20.141 1.00 13.42 N ATOM 1712 CA GLN A 108 -9.550 28.593 -20.790 1.00 75.41 C ATOM 1713 C GLN A 108 -9.852 29.860 -21.584 1.00 31.12 C ATOM 1714 O GLN A 108 -9.064 30.805 -21.587 1.00 51.31 O ATOM 1715 CB GLN A 108 -8.957 27.528 -21.713 1.00 43.44 C ATOM 1716 CG GLN A 108 -7.594 27.023 -21.264 1.00 74.42 C ATOM 1717 CD GLN A 108 -7.566 26.651 -19.795 1.00 72.22 C ATOM 1718 OE1 GLN A 108 -6.918 27.316 -18.986 1.00 62.14 O ATOM 1719 NE2 GLN A 108 -8.271 25.583 -19.441 1.00 54.13 N ATOM 0 H GLN A 108 -11.103 27.209 -20.524 1.00 13.42 H new ATOM 0 HA GLN A 108 -8.824 28.836 -20.014 1.00 75.41 H new ATOM 0 HB2 GLN A 108 -9.646 26.685 -21.771 1.00 43.44 H new ATOM 0 HB3 GLN A 108 -8.870 27.939 -22.719 1.00 43.44 H new ATOM 0 HG2 GLN A 108 -7.318 26.154 -21.861 1.00 74.42 H new ATOM 0 HG3 GLN A 108 -6.845 27.791 -21.455 1.00 74.42 H new ATOM 0 HE21 GLN A 108 -8.794 25.061 -20.144 1.00 54.13 H new ATOM 0 HE22 GLN A 108 -8.290 25.285 -18.466 1.00 54.13 H new ATOM 1728 N ASN A 109 -10.998 29.872 -22.256 1.00 61.45 N ATOM 1729 CA ASN A 109 -11.405 31.023 -23.055 1.00 54.50 C ATOM 1730 C ASN A 109 -11.426 32.292 -22.208 1.00 41.14 C ATOM 1731 O ASN A 109 -11.132 33.384 -22.697 1.00 45.41 O ATOM 1732 CB ASN A 109 -12.784 30.782 -23.669 1.00 74.33 C ATOM 1733 CG ASN A 109 -12.702 30.281 -25.098 1.00 11.32 C ATOM 1734 OD1 ASN A 109 -12.074 29.259 -25.374 1.00 51.31 O ATOM 1735 ND2 ASN A 109 -13.338 31.001 -26.015 1.00 64.31 N ATOM 0 H ASN A 109 -11.662 29.098 -22.264 1.00 61.45 H new ATOM 0 HA ASN A 109 -10.677 31.154 -23.856 1.00 54.50 H new ATOM 0 HB2 ASN A 109 -13.326 30.056 -23.063 1.00 74.33 H new ATOM 0 HB3 ASN A 109 -13.357 31.709 -23.644 1.00 74.33 H new ATOM 0 HD21 ASN A 109 -13.318 30.713 -26.993 1.00 64.31 H new ATOM 0 HD22 ASN A 109 -13.846 31.842 -25.741 1.00 64.31 H new ATOM 1742 N LYS A 110 -11.775 32.142 -20.935 1.00 62.31 N ATOM 1743 CA LYS A 110 -11.835 33.275 -20.018 1.00 4.41 C ATOM 1744 C LYS A 110 -10.475 33.959 -19.912 1.00 23.40 C ATOM 1745 O LYS A 110 -10.384 35.186 -19.939 1.00 30.33 O ATOM 1746 CB LYS A 110 -12.295 32.812 -18.635 1.00 34.25 C ATOM 1747 CG LYS A 110 -13.714 33.232 -18.294 1.00 22.12 C ATOM 1748 CD LYS A 110 -14.584 32.032 -17.959 1.00 22.55 C ATOM 1749 CE LYS A 110 -14.562 31.726 -16.469 1.00 4.21 C ATOM 1750 NZ LYS A 110 -15.737 30.913 -16.052 1.00 42.00 N1+ ATOM 0 H LYS A 110 -12.021 31.246 -20.514 1.00 62.31 H new ATOM 0 HA LYS A 110 -12.554 33.994 -20.411 1.00 4.41 H new ATOM 0 HB2 LYS A 110 -12.224 31.726 -18.583 1.00 34.25 H new ATOM 0 HB3 LYS A 110 -11.616 33.212 -17.882 1.00 34.25 H new ATOM 0 HG2 LYS A 110 -13.698 33.919 -17.448 1.00 22.12 H new ATOM 0 HG3 LYS A 110 -14.147 33.773 -19.135 1.00 22.12 H new ATOM 0 HD2 LYS A 110 -15.609 32.224 -18.277 1.00 22.55 H new ATOM 0 HD3 LYS A 110 -14.235 31.162 -18.515 1.00 22.55 H new ATOM 0 HE2 LYS A 110 -13.645 31.192 -16.222 1.00 4.21 H new ATOM 0 HE3 LYS A 110 -14.549 32.660 -15.907 1.00 4.21 H new ATOM 0 HZ1 LYS A 110 -15.476 30.315 -15.242 1.00 42.00 H new ATOM 0 HZ2 LYS A 110 -16.517 31.545 -15.779 1.00 42.00 H new ATOM 0 HZ3 LYS A 110 -16.041 30.310 -16.843 1.00 42.00 H new ATOM 1764 N SER A 111 -9.422 33.157 -19.793 1.00 55.14 N ATOM 1765 CA SER A 111 -8.068 33.687 -19.679 1.00 42.32 C ATOM 1766 C SER A 111 -7.764 34.649 -20.824 1.00 53.04 C ATOM 1767 O SER A 111 -7.196 35.722 -20.615 1.00 33.02 O ATOM 1768 CB SER A 111 -7.049 32.545 -19.675 1.00 34.41 C ATOM 1769 OG SER A 111 -5.746 33.024 -19.956 1.00 5.31 O ATOM 0 H SER A 111 -9.480 32.139 -19.773 1.00 55.14 H new ATOM 0 HA SER A 111 -7.996 34.233 -18.738 1.00 42.32 H new ATOM 0 HB2 SER A 111 -7.056 32.050 -18.704 1.00 34.41 H new ATOM 0 HB3 SER A 111 -7.333 31.798 -20.416 1.00 34.41 H new ATOM 0 HG SER A 111 -5.113 32.276 -19.946 1.00 5.31 H new ATOM 1775 N LYS A 112 -8.146 34.259 -22.035 1.00 52.52 N ATOM 1776 CA LYS A 112 -7.916 35.085 -23.214 1.00 31.20 C ATOM 1777 C LYS A 112 -8.653 36.416 -23.097 1.00 55.12 C ATOM 1778 O LYS A 112 -8.096 37.473 -23.393 1.00 53.24 O ATOM 1779 CB LYS A 112 -8.372 34.348 -24.475 1.00 0.41 C ATOM 1780 CG LYS A 112 -7.371 34.418 -25.616 1.00 32.21 C ATOM 1781 CD LYS A 112 -7.891 33.714 -26.858 1.00 53.21 C ATOM 1782 CE LYS A 112 -7.226 34.244 -28.118 1.00 50.04 C ATOM 1783 NZ LYS A 112 -6.162 33.327 -28.613 1.00 13.21 N1+ ATOM 0 H LYS A 112 -8.617 33.375 -22.226 1.00 52.52 H new ATOM 0 HA LYS A 112 -6.847 35.285 -23.284 1.00 31.20 H new ATOM 0 HB2 LYS A 112 -8.556 33.302 -24.228 1.00 0.41 H new ATOM 0 HB3 LYS A 112 -9.321 34.769 -24.809 1.00 0.41 H new ATOM 0 HG2 LYS A 112 -7.157 35.461 -25.850 1.00 32.21 H new ATOM 0 HG3 LYS A 112 -6.431 33.962 -25.305 1.00 32.21 H new ATOM 0 HD2 LYS A 112 -7.710 32.643 -26.773 1.00 53.21 H new ATOM 0 HD3 LYS A 112 -8.970 33.850 -26.930 1.00 53.21 H new ATOM 0 HE2 LYS A 112 -7.978 34.380 -28.895 1.00 50.04 H new ATOM 0 HE3 LYS A 112 -6.795 35.225 -27.916 1.00 50.04 H new ATOM 0 HZ1 LYS A 112 -5.734 33.725 -29.473 1.00 13.21 H new ATOM 0 HZ2 LYS A 112 -5.431 33.216 -27.881 1.00 13.21 H new ATOM 0 HZ3 LYS A 112 -6.577 32.399 -28.830 1.00 13.21 H new ATOM 1797 N LYS A 113 -9.907 36.358 -22.662 1.00 1.33 N ATOM 1798 CA LYS A 113 -10.719 37.558 -22.503 1.00 15.44 C ATOM 1799 C LYS A 113 -10.026 38.567 -21.591 1.00 4.15 C ATOM 1800 O LYS A 113 -10.256 39.772 -21.693 1.00 5.01 O ATOM 1801 CB LYS A 113 -12.092 37.198 -21.932 1.00 22.25 C ATOM 1802 CG LYS A 113 -13.198 38.147 -22.360 1.00 2.42 C ATOM 1803 CD LYS A 113 -14.304 38.220 -21.321 1.00 1.12 C ATOM 1804 CE LYS A 113 -15.679 38.194 -21.970 1.00 71.11 C ATOM 1805 NZ LYS A 113 -16.588 39.218 -21.384 1.00 2.30 N1+ ATOM 0 H LYS A 113 -10.383 35.491 -22.413 1.00 1.33 H new ATOM 0 HA LYS A 113 -10.849 38.011 -23.486 1.00 15.44 H new ATOM 0 HB2 LYS A 113 -12.352 36.187 -22.244 1.00 22.25 H new ATOM 0 HB3 LYS A 113 -12.033 37.190 -20.844 1.00 22.25 H new ATOM 0 HG2 LYS A 113 -12.783 39.142 -22.521 1.00 2.42 H new ATOM 0 HG3 LYS A 113 -13.613 37.817 -23.312 1.00 2.42 H new ATOM 0 HD2 LYS A 113 -14.211 37.383 -20.629 1.00 1.12 H new ATOM 0 HD3 LYS A 113 -14.194 39.132 -20.734 1.00 1.12 H new ATOM 0 HE2 LYS A 113 -15.578 38.368 -23.041 1.00 71.11 H new ATOM 0 HE3 LYS A 113 -16.120 37.205 -21.848 1.00 71.11 H new ATOM 0 HZ1 LYS A 113 -17.515 39.168 -21.853 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 -16.705 39.037 -20.366 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 -16.180 40.165 -21.523 1.00 2.30 H new ATOM 1819 N LYS A 114 -9.176 38.066 -20.701 1.00 22.34 N ATOM 1820 CA LYS A 114 -8.447 38.922 -19.773 1.00 41.11 C ATOM 1821 C LYS A 114 -7.077 39.288 -20.333 1.00 54.32 C ATOM 1822 O LYS A 114 -6.514 40.329 -19.992 1.00 63.54 O ATOM 1823 CB LYS A 114 -8.288 38.224 -18.421 1.00 32.12 C ATOM 1824 CG LYS A 114 -8.699 39.086 -17.239 1.00 41.20 C ATOM 1825 CD LYS A 114 -10.179 38.938 -16.928 1.00 40.10 C ATOM 1826 CE LYS A 114 -10.569 39.723 -15.686 1.00 51.23 C ATOM 1827 NZ LYS A 114 -11.314 38.882 -14.710 1.00 15.15 N1+ ATOM 0 H LYS A 114 -8.975 37.071 -20.603 1.00 22.34 H new ATOM 0 HA LYS A 114 -9.020 39.839 -19.636 1.00 41.11 H new ATOM 0 HB2 LYS A 114 -8.885 37.312 -18.420 1.00 32.12 H new ATOM 0 HB3 LYS A 114 -7.248 37.924 -18.297 1.00 32.12 H new ATOM 0 HG2 LYS A 114 -8.113 38.807 -16.363 1.00 41.20 H new ATOM 0 HG3 LYS A 114 -8.474 40.131 -17.454 1.00 41.20 H new ATOM 0 HD2 LYS A 114 -10.767 39.284 -17.778 1.00 40.10 H new ATOM 0 HD3 LYS A 114 -10.418 37.884 -16.784 1.00 40.10 H new ATOM 0 HE2 LYS A 114 -9.672 40.122 -15.212 1.00 51.23 H new ATOM 0 HE3 LYS A 114 -11.183 40.576 -15.974 1.00 51.23 H new ATOM 0 HZ1 LYS A 114 -11.562 39.454 -13.877 1.00 15.15 H new ATOM 0 HZ2 LYS A 114 -12.183 38.522 -15.154 1.00 15.15 H new ATOM 0 HZ3 LYS A 114 -10.719 38.082 -14.416 1.00 15.15 H new ATOM 1841 N ALA A 115 -6.545 38.428 -21.194 1.00 0.25 N ATOM 1842 CA ALA A 115 -5.242 38.662 -21.804 1.00 14.43 C ATOM 1843 C ALA A 115 -5.382 39.026 -23.277 1.00 21.12 C ATOM 1844 O ALA A 115 -4.533 38.675 -24.096 1.00 70.43 O ATOM 1845 CB ALA A 115 -4.355 37.436 -21.642 1.00 74.45 C ATOM 0 H ALA A 115 -6.997 37.561 -21.486 1.00 0.25 H new ATOM 0 HA ALA A 115 -4.775 39.504 -21.293 1.00 14.43 H new ATOM 0 HB1 ALA A 115 -3.385 37.625 -22.102 1.00 74.45 H new ATOM 0 HB2 ALA A 115 -4.218 37.223 -20.582 1.00 74.45 H new ATOM 0 HB3 ALA A 115 -4.825 36.580 -22.126 1.00 74.45 H new ATOM 1851 N GLN A 116 -6.460 39.730 -23.608 1.00 21.24 N ATOM 1852 CA GLN A 116 -6.712 40.139 -24.985 1.00 33.31 C ATOM 1853 C GLN A 116 -5.790 41.286 -25.389 1.00 21.12 C ATOM 1854 O GLN A 116 -5.456 41.440 -26.563 1.00 40.21 O ATOM 1855 CB GLN A 116 -8.173 40.559 -25.155 1.00 71.22 C ATOM 1856 CG GLN A 116 -8.835 39.971 -26.390 1.00 74.11 C ATOM 1857 CD GLN A 116 -10.340 39.857 -26.247 1.00 14.24 C ATOM 1858 OE1 GLN A 116 -10.931 38.830 -26.583 1.00 62.44 O ATOM 1859 NE2 GLN A 116 -10.969 40.913 -25.745 1.00 70.51 N ATOM 0 H GLN A 116 -7.172 40.029 -22.942 1.00 21.24 H new ATOM 0 HA GLN A 116 -6.509 39.287 -25.634 1.00 33.31 H new ATOM 0 HB2 GLN A 116 -8.735 40.255 -24.272 1.00 71.22 H new ATOM 0 HB3 GLN A 116 -8.226 41.646 -25.207 1.00 71.22 H new ATOM 0 HG2 GLN A 116 -8.602 40.594 -27.254 1.00 74.11 H new ATOM 0 HG3 GLN A 116 -8.417 38.984 -26.587 1.00 74.11 H new ATOM 0 HE21 GLN A 116 -10.440 41.744 -25.480 1.00 70.51 H new ATOM 0 HE22 GLN A 116 -11.982 40.894 -25.625 1.00 70.51 H new ATOM 1868 N GLN A 117 -5.384 42.086 -24.409 1.00 25.53 N ATOM 1869 CA GLN A 117 -4.502 43.218 -24.664 1.00 32.23 C ATOM 1870 C GLN A 117 -3.119 42.744 -25.097 1.00 61.11 C ATOM 1871 O GLN A 117 -2.449 43.399 -25.894 1.00 73.20 O ATOM 1872 CB GLN A 117 -4.386 44.093 -23.415 1.00 72.40 C ATOM 1873 CG GLN A 117 -3.862 43.349 -22.197 1.00 60.01 C ATOM 1874 CD GLN A 117 -3.998 44.153 -20.918 1.00 61.42 C ATOM 1875 OE1 GLN A 117 -3.070 44.851 -20.509 1.00 13.02 O ATOM 1876 NE2 GLN A 117 -5.158 44.059 -20.281 1.00 31.33 N ATOM 0 H GLN A 117 -5.652 41.971 -23.431 1.00 25.53 H new ATOM 0 HA GLN A 117 -4.934 43.807 -25.473 1.00 32.23 H new ATOM 0 HB2 GLN A 117 -3.725 44.932 -23.630 1.00 72.40 H new ATOM 0 HB3 GLN A 117 -5.366 44.510 -23.182 1.00 72.40 H new ATOM 0 HG2 GLN A 117 -4.403 42.409 -22.090 1.00 60.01 H new ATOM 0 HG3 GLN A 117 -2.813 43.097 -22.353 1.00 60.01 H new ATOM 0 HE21 GLN A 117 -5.900 43.468 -20.657 1.00 31.33 H new ATOM 0 HE22 GLN A 117 -5.308 44.578 -19.416 1.00 31.33 H new ATOM 1885 N ALA A 118 -2.698 41.601 -24.566 1.00 14.10 N ATOM 1886 CA ALA A 118 -1.395 41.038 -24.899 1.00 34.02 C ATOM 1887 C ALA A 118 -1.341 40.604 -26.358 1.00 64.13 C ATOM 1888 O ALA A 118 -0.271 40.557 -26.964 1.00 15.11 O ATOM 1889 CB ALA A 118 -1.078 39.864 -23.984 1.00 40.32 C ATOM 0 H ALA A 118 -3.240 41.047 -23.903 1.00 14.10 H new ATOM 0 HA ALA A 118 -0.643 41.813 -24.751 1.00 34.02 H new ATOM 0 HB1 ALA A 118 -0.102 39.453 -24.244 1.00 40.32 H new ATOM 0 HB2 ALA A 118 -1.065 40.203 -22.948 1.00 40.32 H new ATOM 0 HB3 ALA A 118 -1.840 39.093 -24.104 1.00 40.32 H new ATOM 1895 N ALA A 119 -2.504 40.285 -26.920 1.00 15.42 N ATOM 1896 CA ALA A 119 -2.589 39.856 -28.310 1.00 71.32 C ATOM 1897 C ALA A 119 -2.850 41.040 -29.235 1.00 22.13 C ATOM 1898 O ALA A 119 -3.686 40.964 -30.135 1.00 43.21 O ATOM 1899 CB ALA A 119 -3.679 38.807 -28.472 1.00 2.41 C ATOM 0 H ALA A 119 -3.400 40.316 -26.433 1.00 15.42 H new ATOM 0 HA ALA A 119 -1.631 39.416 -28.588 1.00 71.32 H new ATOM 0 HB1 ALA A 119 -3.732 38.495 -29.515 1.00 2.41 H new ATOM 0 HB2 ALA A 119 -3.450 37.944 -27.847 1.00 2.41 H new ATOM 0 HB3 ALA A 119 -4.638 39.229 -28.170 1.00 2.41 H new ATOM 1905 N ALA A 120 -2.129 42.133 -29.007 1.00 63.31 N ATOM 1906 CA ALA A 120 -2.282 43.331 -29.822 1.00 73.41 C ATOM 1907 C ALA A 120 -1.303 44.418 -29.389 1.00 42.32 C ATOM 1908 O ALA A 120 -0.409 44.174 -28.580 1.00 0.41 O ATOM 1909 CB ALA A 120 -3.712 43.845 -29.743 1.00 34.24 C ATOM 0 H ALA A 120 -1.434 42.213 -28.265 1.00 63.31 H new ATOM 0 HA ALA A 120 -2.059 43.068 -30.856 1.00 73.41 H new ATOM 0 HB1 ALA A 120 -3.811 44.740 -30.357 1.00 34.24 H new ATOM 0 HB2 ALA A 120 -4.395 43.078 -30.107 1.00 34.24 H new ATOM 0 HB3 ALA A 120 -3.955 44.086 -28.708 1.00 34.24 H new ATOM 1915 N ASP A 121 -1.478 45.616 -29.933 1.00 51.03 N ATOM 1916 CA ASP A 121 -0.610 46.741 -29.603 1.00 32.11 C ATOM 1917 C ASP A 121 0.827 46.463 -30.034 1.00 34.22 C ATOM 1918 O ASP A 121 1.776 46.953 -29.422 1.00 15.05 O ATOM 1919 CB ASP A 121 -0.660 47.027 -28.101 1.00 42.15 C ATOM 1920 CG ASP A 121 0.009 48.339 -27.740 1.00 12.24 C ATOM 1921 OD1 ASP A 121 -0.615 49.399 -27.950 1.00 60.01 O1- ATOM 1922 OD2 ASP A 121 1.157 48.305 -27.248 1.00 21.34 O ATOM 0 H ASP A 121 -2.213 45.834 -30.605 1.00 51.03 H new ATOM 0 HA ASP A 121 -0.969 47.617 -30.144 1.00 32.11 H new ATOM 0 HB2 ASP A 121 -1.699 47.050 -27.773 1.00 42.15 H new ATOM 0 HB3 ASP A 121 -0.173 46.214 -27.563 1.00 42.15 H new ATOM 1927 N THR A 122 0.980 45.672 -31.091 1.00 61.13 N ATOM 1928 CA THR A 122 2.300 45.326 -31.603 1.00 32.31 C ATOM 1929 C THR A 122 2.406 45.619 -33.095 1.00 63.20 C ATOM 1930 O THR A 122 1.414 45.562 -33.821 1.00 10.53 O ATOM 1931 CB THR A 122 2.625 43.840 -31.359 1.00 14.50 C ATOM 1932 OG1 THR A 122 3.920 43.530 -31.886 1.00 63.23 O ATOM 1933 CG2 THR A 122 1.580 42.944 -32.004 1.00 43.45 C ATOM 0 H THR A 122 0.205 45.258 -31.610 1.00 61.13 H new ATOM 0 HA THR A 122 3.019 45.942 -31.063 1.00 32.31 H new ATOM 0 HB THR A 122 2.618 43.661 -30.284 1.00 14.50 H new ATOM 0 HG1 THR A 122 4.121 42.584 -31.726 1.00 63.23 H new ATOM 0 HG21 THR A 122 1.831 41.900 -31.818 1.00 43.45 H new ATOM 0 HG22 THR A 122 0.601 43.163 -31.579 1.00 43.45 H new ATOM 0 HG23 THR A 122 1.558 43.126 -33.078 1.00 43.45 H new ATOM 1941 N GLY A 123 3.616 45.934 -33.547 1.00 60.04 N ATOM 1942 CA GLY A 123 3.829 46.231 -34.952 1.00 31.13 C ATOM 1943 C GLY A 123 3.587 45.028 -35.841 1.00 65.34 C ATOM 1944 O GLY A 123 4.135 43.952 -35.605 1.00 74.55 O ATOM 0 H GLY A 123 4.452 45.989 -32.966 1.00 60.04 H new ATOM 0 HA2 GLY A 123 3.165 47.041 -35.254 1.00 31.13 H new ATOM 0 HA3 GLY A 123 4.850 46.585 -35.095 1.00 31.13 H new ATOM 1948 N ASN A 124 2.763 45.210 -36.868 1.00 23.51 N ATOM 1949 CA ASN A 124 2.447 44.129 -37.796 1.00 41.41 C ATOM 1950 C ASN A 124 2.878 44.487 -39.215 1.00 44.41 C ATOM 1951 O ASN A 124 3.311 45.608 -39.479 1.00 60.33 O ATOM 1952 CB ASN A 124 0.948 43.826 -37.768 1.00 65.13 C ATOM 1953 CG ASN A 124 0.104 45.062 -38.012 1.00 32.10 C ATOM 1954 OD1 ASN A 124 -0.467 45.631 -37.082 1.00 15.03 O ATOM 1955 ND2 ASN A 124 0.021 45.483 -39.269 1.00 24.25 N ATOM 0 H ASN A 124 2.302 46.095 -37.079 1.00 23.51 H new ATOM 0 HA ASN A 124 2.996 43.242 -37.481 1.00 41.41 H new ATOM 0 HB2 ASN A 124 0.717 43.077 -38.525 1.00 65.13 H new ATOM 0 HB3 ASN A 124 0.685 43.395 -36.802 1.00 65.13 H new ATOM 0 HD21 ASN A 124 -0.533 46.309 -39.495 1.00 24.25 H new ATOM 0 HD22 ASN A 124 0.511 44.980 -40.009 1.00 24.25 H new ATOM 1962 N ASN A 125 2.757 43.526 -40.125 1.00 34.04 N ATOM 1963 CA ASN A 125 3.135 43.739 -41.517 1.00 74.11 C ATOM 1964 C ASN A 125 1.942 44.223 -42.336 1.00 62.20 C ATOM 1965 O ASN A 125 0.789 44.015 -41.956 1.00 40.43 O ATOM 1966 CB ASN A 125 3.692 42.448 -42.120 1.00 63.53 C ATOM 1967 CG ASN A 125 5.205 42.460 -42.213 1.00 2.33 C ATOM 1968 OD1 ASN A 125 5.892 42.880 -41.282 1.00 5.12 O ATOM 1969 ND2 ASN A 125 5.733 41.996 -43.341 1.00 32.35 N ATOM 0 H ASN A 125 2.400 42.592 -39.923 1.00 34.04 H new ATOM 0 HA ASN A 125 3.908 44.507 -41.544 1.00 74.11 H new ATOM 0 HB2 ASN A 125 3.375 41.600 -41.513 1.00 63.53 H new ATOM 0 HB3 ASN A 125 3.271 42.303 -43.115 1.00 63.53 H new ATOM 0 HD21 ASN A 125 6.746 41.978 -43.461 1.00 32.35 H new ATOM 0 HD22 ASN A 125 5.125 41.658 -44.087 1.00 32.35 H new ATOM 1976 N SER A 126 2.227 44.868 -43.462 1.00 74.14 N ATOM 1977 CA SER A 126 1.178 45.384 -44.334 1.00 14.11 C ATOM 1978 C SER A 126 0.709 44.313 -45.314 1.00 42.31 C ATOM 1979 O SER A 126 1.247 43.206 -45.342 1.00 52.13 O ATOM 1980 CB SER A 126 1.680 46.609 -45.102 1.00 23.21 C ATOM 1981 OG SER A 126 1.382 47.805 -44.404 1.00 74.55 O ATOM 0 H SER A 126 3.175 45.046 -43.792 1.00 74.14 H new ATOM 0 HA SER A 126 0.333 45.676 -43.710 1.00 14.11 H new ATOM 0 HB2 SER A 126 2.757 46.531 -45.254 1.00 23.21 H new ATOM 0 HB3 SER A 126 1.220 46.636 -46.090 1.00 23.21 H new ATOM 0 HG SER A 126 1.714 48.573 -44.914 1.00 74.55 H new ATOM 1987 N GLN A 127 -0.296 44.651 -46.115 1.00 42.41 N ATOM 1988 CA GLN A 127 -0.837 43.718 -47.096 1.00 65.00 C ATOM 1989 C GLN A 127 -1.618 44.457 -48.178 1.00 34.03 C ATOM 1990 O GLN A 127 -1.905 45.647 -48.048 1.00 34.04 O ATOM 1991 CB GLN A 127 -1.740 42.691 -46.410 1.00 22.40 C ATOM 1992 CG GLN A 127 -1.235 41.262 -46.525 1.00 53.52 C ATOM 1993 CD GLN A 127 -1.682 40.586 -47.805 1.00 11.14 C ATOM 1994 OE1 GLN A 127 -1.185 40.890 -48.889 1.00 54.35 O ATOM 1995 NE2 GLN A 127 -2.627 39.659 -47.687 1.00 34.11 N ATOM 0 H GLN A 127 -0.752 45.563 -46.104 1.00 42.41 H new ATOM 0 HA GLN A 127 -0.001 43.200 -47.567 1.00 65.00 H new ATOM 0 HB2 GLN A 127 -1.835 42.950 -45.355 1.00 22.40 H new ATOM 0 HB3 GLN A 127 -2.738 42.751 -46.844 1.00 22.40 H new ATOM 0 HG2 GLN A 127 -0.146 41.261 -46.479 1.00 53.52 H new ATOM 0 HG3 GLN A 127 -1.590 40.685 -45.671 1.00 53.52 H new ATOM 0 HE21 GLN A 127 -3.012 39.437 -46.769 1.00 34.11 H new ATOM 0 HE22 GLN A 127 -2.967 39.169 -48.515 1.00 34.11 H new ATOM 2004 N VAL A 128 -1.958 43.745 -49.247 1.00 12.42 N ATOM 2005 CA VAL A 128 -2.706 44.333 -50.351 1.00 51.14 C ATOM 2006 C VAL A 128 -4.121 43.770 -50.418 1.00 64.53 C ATOM 2007 O VAL A 128 -4.322 42.558 -50.345 1.00 70.33 O ATOM 2008 CB VAL A 128 -2.003 44.087 -51.700 1.00 11.43 C ATOM 2009 CG1 VAL A 128 -1.776 42.599 -51.919 1.00 22.20 C ATOM 2010 CG2 VAL A 128 -2.813 44.684 -52.840 1.00 55.30 C ATOM 0 H VAL A 128 -1.727 42.759 -49.372 1.00 12.42 H new ATOM 0 HA VAL A 128 -2.753 45.406 -50.165 1.00 51.14 H new ATOM 0 HB VAL A 128 -1.031 44.580 -51.679 1.00 11.43 H new ATOM 0 HG11 VAL A 128 -1.279 42.444 -52.876 1.00 22.20 H new ATOM 0 HG12 VAL A 128 -1.152 42.204 -51.117 1.00 22.20 H new ATOM 0 HG13 VAL A 128 -2.735 42.081 -51.920 1.00 22.20 H new ATOM 0 HG21 VAL A 128 -2.301 44.501 -53.785 1.00 55.30 H new ATOM 0 HG22 VAL A 128 -3.800 44.222 -52.866 1.00 55.30 H new ATOM 0 HG23 VAL A 128 -2.919 45.758 -52.687 1.00 55.30 H new ATOM 2020 N SER A 129 -5.100 44.659 -50.559 1.00 53.21 N ATOM 2021 CA SER A 129 -6.497 44.251 -50.633 1.00 21.34 C ATOM 2022 C SER A 129 -6.740 43.358 -51.846 1.00 15.35 C ATOM 2023 O SER A 129 -5.987 43.398 -52.819 1.00 74.44 O ATOM 2024 CB SER A 129 -7.406 45.480 -50.700 1.00 63.24 C ATOM 2025 OG SER A 129 -6.821 46.585 -50.033 1.00 23.02 O ATOM 0 H SER A 129 -4.951 45.666 -50.624 1.00 53.21 H new ATOM 0 HA SER A 129 -6.731 43.682 -49.733 1.00 21.34 H new ATOM 0 HB2 SER A 129 -7.596 45.739 -51.742 1.00 63.24 H new ATOM 0 HB3 SER A 129 -8.370 45.248 -50.248 1.00 63.24 H new ATOM 0 HG SER A 129 -7.421 47.358 -50.092 1.00 23.02 H new ATOM 2031 N GLN A 130 -7.795 42.552 -51.778 1.00 42.02 N ATOM 2032 CA GLN A 130 -8.136 41.648 -52.870 1.00 0.15 C ATOM 2033 C GLN A 130 -9.089 42.318 -53.854 1.00 31.43 C ATOM 2034 O GLN A 130 -9.905 43.156 -53.470 1.00 42.33 O ATOM 2035 CB GLN A 130 -8.767 40.368 -52.321 1.00 63.42 C ATOM 2036 CG GLN A 130 -10.189 40.559 -51.814 1.00 45.23 C ATOM 2037 CD GLN A 130 -10.659 39.408 -50.947 1.00 43.32 C ATOM 2038 OE1 GLN A 130 -11.110 39.609 -49.820 1.00 4.32 O ATOM 2039 NE2 GLN A 130 -10.555 38.191 -51.471 1.00 31.43 N ATOM 0 H GLN A 130 -8.428 42.507 -50.979 1.00 42.02 H new ATOM 0 HA GLN A 130 -7.217 41.394 -53.399 1.00 0.15 H new ATOM 0 HB2 GLN A 130 -8.768 39.609 -53.103 1.00 63.42 H new ATOM 0 HB3 GLN A 130 -8.148 39.987 -51.508 1.00 63.42 H new ATOM 0 HG2 GLN A 130 -10.246 41.486 -51.243 1.00 45.23 H new ATOM 0 HG3 GLN A 130 -10.862 40.667 -52.664 1.00 45.23 H new ATOM 0 HE21 GLN A 130 -10.175 38.071 -52.410 1.00 31.43 H new ATOM 0 HE22 GLN A 130 -10.855 37.377 -50.934 1.00 31.43 H new ATOM 2048 N ASN A 131 -8.980 41.944 -55.124 1.00 23.31 N ATOM 2049 CA ASN A 131 -9.833 42.510 -56.164 1.00 3.11 C ATOM 2050 C ASN A 131 -9.606 41.803 -57.497 1.00 75.22 C ATOM 2051 O ASN A 131 -8.472 41.676 -57.958 1.00 44.23 O ATOM 2052 CB ASN A 131 -9.562 44.008 -56.315 1.00 3.31 C ATOM 2053 CG ASN A 131 -8.098 44.353 -56.121 1.00 11.41 C ATOM 2054 OD1 ASN A 131 -7.838 45.511 -55.526 1.00 74.22 O flip ATOM 2055 ND2 ASN A 131 -7.212 43.587 -56.502 1.00 52.52 N flip ATOM 0 H ASN A 131 -8.310 41.252 -55.459 1.00 23.31 H new ATOM 0 HA ASN A 131 -10.872 42.364 -55.868 1.00 3.11 H new ATOM 0 HB2 ASN A 131 -9.881 44.334 -57.305 1.00 3.31 H new ATOM 0 HB3 ASN A 131 -10.161 44.558 -55.589 1.00 3.31 H new ATOM 0 HD21 ASN A 131 -7.459 42.707 -56.955 1.00 52.52 H new ATOM 0 HD22 ASN A 131 -6.232 43.833 -56.365 1.00 52.52 H new ATOM 2062 N TYR A 132 -10.692 41.348 -58.111 1.00 62.34 N ATOM 2063 CA TYR A 132 -10.613 40.653 -59.390 1.00 43.04 C ATOM 2064 C TYR A 132 -11.035 41.570 -60.535 1.00 25.34 C ATOM 2065 O TYR A 132 -10.817 42.777 -60.453 1.00 61.34 O ATOM 2066 CB TYR A 132 -11.493 39.403 -59.371 1.00 60.44 C ATOM 2067 CG TYR A 132 -10.722 38.121 -59.151 1.00 15.10 C ATOM 2068 CD1 TYR A 132 -9.743 38.038 -58.168 1.00 62.33 C ATOM 2069 CD2 TYR A 132 -10.970 36.995 -59.925 1.00 73.15 C ATOM 2070 CE1 TYR A 132 -9.035 36.870 -57.963 1.00 13.51 C ATOM 2071 CE2 TYR A 132 -10.267 35.823 -59.726 1.00 64.54 C ATOM 2072 CZ TYR A 132 -9.301 35.765 -58.745 1.00 21.13 C ATOM 2073 OH TYR A 132 -8.597 34.599 -58.545 1.00 35.45 O ATOM 0 H TYR A 132 -11.638 41.448 -57.743 1.00 62.34 H new ATOM 0 HA TYR A 132 -9.577 40.356 -59.550 1.00 43.04 H new ATOM 0 HB2 TYR A 132 -12.240 39.507 -58.584 1.00 60.44 H new ATOM 0 HB3 TYR A 132 -12.033 39.335 -60.316 1.00 60.44 H new ATOM 0 HD1 TYR A 132 -9.532 38.901 -57.554 1.00 62.33 H new ATOM 0 HD2 TYR A 132 -11.725 37.036 -60.696 1.00 73.15 H new ATOM 0 HE1 TYR A 132 -8.277 36.822 -57.195 1.00 13.51 H new ATOM 0 HE2 TYR A 132 -10.473 34.956 -60.336 1.00 64.54 H new ATOM 0 HH TYR A 132 -8.907 33.917 -59.177 1.00 35.45 H new TER 2083 TYR A 132 HETATM 2084 O1 PC8 A 300 2.915 18.264 -25.841 1.00 31.41 O HETATM 2085 O2 PC8 A 300 2.962 19.819 -27.795 1.00 1.35 O HETATM 2086 P1 PC8 A 300 3.743 18.723 -26.959 1.00 74.42 P HETATM 2087 O3 PC8 A 300 5.128 19.361 -26.475 1.00 3.42 O HETATM 2088 C1 PC8 A 300 5.135 20.742 -26.066 1.00 33.11 C HETATM 2089 C2 PC8 A 300 6.525 21.257 -25.596 1.00 62.34 C HETATM 2090 N1 PC8 A 300 7.485 21.798 -26.651 1.00 21.45 N HETATM 2091 C3 PC8 A 300 7.606 20.876 -27.842 1.00 72.14 C HETATM 2092 C4 PC8 A 300 6.918 23.111 -27.139 1.00 71.01 C HETATM 2093 C5 PC8 A 300 8.863 22.045 -26.080 1.00 31.13 C HETATM 2094 O4 PC8 A 300 4.075 17.510 -27.953 1.00 30.33 O HETATM 2095 C6 PC8 A 300 4.059 16.171 -27.399 1.00 30.20 C HETATM 2096 C7 PC8 A 300 3.946 15.041 -28.467 1.00 11.51 C HETATM 2097 C8 PC8 A 300 4.837 13.810 -28.178 1.00 41.33 C HETATM 2098 O5 PC8 A 300 6.050 13.878 -28.938 1.00 60.44 O HETATM 2099 C9 PC8 A 300 7.053 14.789 -28.786 1.00 43.34 C HETATM 2100 O6 PC8 A 300 7.083 15.548 -27.788 1.00 64.13 O HETATM 2101 C10 PC8 A 300 8.072 14.854 -29.855 1.00 20.23 C HETATM 2102 C11 PC8 A 300 9.052 13.650 -29.911 1.00 41.13 C HETATM 2103 C12 PC8 A 300 8.482 12.462 -30.729 1.00 43.24 C HETATM 2104 C13 PC8 A 300 9.110 11.101 -30.323 1.00 42.24 C HETATM 2105 C14 PC8 A 300 10.272 10.682 -31.262 1.00 2.20 C HETATM 2106 C15 PC8 A 300 10.391 9.141 -31.414 1.00 71.20 C HETATM 2107 C16 PC8 A 300 11.848 8.675 -31.628 1.00 71.45 C HETATM 2108 O7 PC8 A 300 2.602 14.560 -28.646 1.00 32.21 O HETATM 2109 C17 PC8 A 300 1.583 14.541 -27.736 1.00 22.24 C HETATM 2110 O8 PC8 A 300 0.808 15.522 -27.622 1.00 72.34 O HETATM 2111 C18 PC8 A 300 1.408 13.320 -26.918 1.00 73.15 C HETATM 2112 C19 PC8 A 300 0.540 12.204 -27.565 1.00 14.54 C HETATM 2113 C20 PC8 A 300 -0.924 12.203 -27.046 1.00 31.22 C HETATM 2114 C21 PC8 A 300 -1.116 11.280 -25.812 1.00 72.31 C HETATM 2115 C22 PC8 A 300 -1.406 12.069 -24.506 1.00 44.53 C HETATM 2116 C23 PC8 A 300 -1.844 11.143 -23.340 1.00 62.41 C HETATM 2117 C24 PC8 A 300 -3.274 10.585 -23.519 1.00 74.13 C HETATM 0 H9 PC8 A 300 6.836 23.805 -26.303 1.00 71.01 H new HETATM 0 H8 PC8 A 300 7.577 23.533 -27.898 1.00 71.01 H new HETATM 0 H7 PC8 A 300 7.977 19.905 -27.514 1.00 72.14 H new HETATM 0 H6 PC8 A 300 6.628 20.752 -28.307 1.00 72.14 H new HETATM 0 H5 PC8 A 300 8.300 21.305 -28.565 1.00 72.14 H new HETATM 0 H48 PC8 A 300 -3.983 11.411 -23.570 1.00 74.13 H new HETATM 0 H47 PC8 A 300 -3.325 10.005 -24.440 1.00 74.13 H new HETATM 0 H46 PC8 A 300 -3.523 9.945 -22.673 1.00 74.13 H new HETATM 0 H45 PC8 A 300 -1.143 10.312 -23.260 1.00 62.41 H new HETATM 0 H44 PC8 A 300 -1.790 11.697 -22.403 1.00 62.41 H new HETATM 0 H43 PC8 A 300 -0.513 12.621 -24.212 1.00 44.53 H new HETATM 0 H42 PC8 A 300 -2.188 12.805 -24.695 1.00 44.53 H new HETATM 0 H41 PC8 A 300 -1.938 10.591 -26.004 1.00 72.31 H new HETATM 0 H40 PC8 A 300 -0.220 10.676 -25.674 1.00 72.31 H new HETATM 0 H4 PC8 A 300 6.358 22.045 -24.862 1.00 62.34 H new HETATM 0 H39 PC8 A 300 -1.214 13.220 -26.783 1.00 31.22 H new HETATM 0 H38 PC8 A 300 -1.590 11.878 -27.846 1.00 31.22 H new HETATM 0 H37 PC8 A 300 0.537 12.334 -28.647 1.00 14.54 H new HETATM 0 H36 PC8 A 300 0.993 11.234 -27.362 1.00 14.54 H new HETATM 0 H35 PC8 A 300 2.392 12.908 -26.695 1.00 73.15 H new HETATM 0 H34 PC8 A 300 0.957 13.602 -25.966 1.00 73.15 H new HETATM 0 H33 PC8 A 300 12.247 9.132 -32.534 1.00 71.45 H new HETATM 0 H32 PC8 A 300 12.455 8.974 -30.773 1.00 71.45 H new HETATM 0 H31 PC8 A 300 11.872 7.590 -31.728 1.00 71.45 H new HETATM 0 H30 PC8 A 300 9.987 8.660 -30.523 1.00 71.20 H new HETATM 0 H3 PC8 A 300 7.026 20.439 -25.077 1.00 62.34 H new HETATM 0 H29 PC8 A 300 9.782 8.815 -32.257 1.00 71.20 H new HETATM 0 H28 PC8 A 300 10.120 11.130 -32.244 1.00 2.20 H new HETATM 0 H27 PC8 A 300 11.210 11.078 -30.873 1.00 2.20 H new HETATM 0 H26 PC8 A 300 9.479 11.165 -29.299 1.00 42.24 H new HETATM 0 H25 PC8 A 300 8.340 10.330 -30.336 1.00 42.24 H new HETATM 0 H24 PC8 A 300 7.402 12.415 -30.590 1.00 43.24 H new HETATM 0 H23 PC8 A 300 8.660 12.638 -31.790 1.00 43.24 H new HETATM 0 H22 PC8 A 300 9.995 13.973 -30.353 1.00 41.13 H new HETATM 0 H21 PC8 A 300 9.272 13.317 -28.897 1.00 41.13 H new HETATM 0 H20 PC8 A 300 7.563 14.932 -30.816 1.00 20.23 H new HETATM 0 H2 PC8 A 300 4.793 21.358 -26.898 1.00 33.11 H new HETATM 0 H19 PC8 A 300 8.652 15.768 -29.727 1.00 20.23 H new HETATM 0 H18 PC8 A 300 5.070 13.764 -27.114 1.00 41.33 H new HETATM 0 H17 PC8 A 300 4.297 12.896 -28.426 1.00 41.33 H new HETATM 0 H16 PC8 A 300 4.293 15.533 -29.375 1.00 11.51 H new HETATM 0 H15 PC8 A 300 4.969 16.018 -26.819 1.00 30.20 H new HETATM 0 H14 PC8 A 300 3.222 16.086 -26.706 1.00 30.20 H new HETATM 0 H13 PC8 A 300 8.797 22.773 -25.272 1.00 31.13 H new HETATM 0 H12 PC8 A 300 9.270 21.110 -25.694 1.00 31.13 H new HETATM 0 H11 PC8 A 300 9.517 22.430 -26.862 1.00 31.13 H new HETATM 0 H10 PC8 A 300 5.931 22.943 -27.569 1.00 71.01 H new HETATM 0 H1 PC8 A 300 4.418 20.874 -25.256 1.00 33.11 H new