USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 821 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 GLN : amide:sc= -1.23 K(o=-2.9,f=-13!) USER MOD Set 1.2: A 114 ASN : amide:sc= -1.72 X(o=-2.9,f=-2.9) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 144:sc= 0.606 (180deg=-0.153) USER MOD Set 2.2: A 80 GLN :FLIP amide:sc= -2.06! F(o=-4.3,f=-2.9!) USER MOD Set 2.3: A 84 THR OG1 : rot -120:sc= -1.42 USER MOD Set 3.1: A 50 HIS : no HD1:sc= -0.0488 K(o=-0.11,f=-1.1) USER MOD Set 3.2: A 105 CYS SG : rot 180:sc= -0.0622 USER MOD Set 4.1: A 44 SER OG : rot 19:sc= 1.15 USER MOD Set 4.2: A 51 SER OG : rot 71:sc= 0.374 USER MOD Set 4.3: A 52 THR OG1 : rot 7:sc= 1.17 USER MOD Set 4.4: A 55 LYS NZ :NH3+ -147:sc= -1.5! (180deg=-3.94!) USER MOD Single : A 38 ASN : amide:sc= 0.22 K(o=0.22,f=-0.29) USER MOD Single : A 41 MET CE :methyl 149:sc= -7.07! (180deg=-12!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 3:sc= -1.06 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -38:sc= 0.278 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 72 GLN : amide:sc= -0.0778 X(o=-0.078,f=-0.5) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -160:sc= 0.938 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 89 GLN :FLIP amide:sc= -1.63 F(o=-2.9,f=-1.6) USER MOD Single : A 90 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00221) USER MOD Single : A 91 THR OG1 : rot 170:sc= 0.0641 USER MOD Single : A 94 ASN : amide:sc= -4.59! C(o=-4.6!,f=-6.8!) USER MOD Single : A 98 ASN :FLIP amide:sc= -8.22! C(o=-10!,f=-8.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.36) USER MOD Single : A 108 THR OG1 : rot -136:sc= -1.77 USER MOD Single : A 112 HIS : no HD1:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.263 K(o=-0.26,f=-1.7) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 0.490 -2.194 1.112 1.00 13.14 N ATOM 2 CA ALA A 23 1.039 -1.725 -0.154 1.00 52.10 C ATOM 3 C ALA A 23 1.767 -2.846 -0.886 1.00 70.43 C ATOM 4 O ALA A 23 1.987 -2.772 -2.095 1.00 13.33 O ATOM 5 CB ALA A 23 1.975 -0.548 0.080 1.00 64.42 C ATOM 0 HA ALA A 23 0.210 -1.396 -0.781 1.00 52.10 H new ATOM 0 HB1 ALA A 23 2.378 -0.208 -0.874 1.00 64.42 H new ATOM 0 HB2 ALA A 23 1.425 0.266 0.552 1.00 64.42 H new ATOM 0 HB3 ALA A 23 2.794 -0.858 0.730 1.00 64.42 H new ATOM 11 N ARG A 24 2.139 -3.886 -0.145 1.00 2.20 N ATOM 12 CA ARG A 24 2.845 -5.022 -0.724 1.00 51.23 C ATOM 13 C ARG A 24 2.101 -5.562 -1.942 1.00 54.42 C ATOM 14 O ARG A 24 2.710 -6.098 -2.866 1.00 61.33 O ATOM 15 CB ARG A 24 3.012 -6.130 0.317 1.00 72.04 C ATOM 16 CG ARG A 24 1.738 -6.437 1.088 1.00 63.31 C ATOM 17 CD ARG A 24 1.800 -7.809 1.741 1.00 33.13 C ATOM 18 NE ARG A 24 2.634 -7.808 2.941 1.00 52.52 N ATOM 19 CZ ARG A 24 2.987 -8.911 3.592 1.00 44.34 C ATOM 20 NH1 ARG A 24 2.584 -10.097 3.159 1.00 33.34 N ATOM 21 NH2 ARG A 24 3.749 -8.827 4.675 1.00 71.31 N ATOM 0 H ARG A 24 1.963 -3.964 0.857 1.00 2.20 H new ATOM 0 HA ARG A 24 3.830 -4.681 -1.043 1.00 51.23 H new ATOM 0 HB2 ARG A 24 3.353 -7.037 -0.182 1.00 72.04 H new ATOM 0 HB3 ARG A 24 3.792 -5.841 1.021 1.00 72.04 H new ATOM 0 HG2 ARG A 24 1.581 -5.676 1.852 1.00 63.31 H new ATOM 0 HG3 ARG A 24 0.883 -6.392 0.413 1.00 63.31 H new ATOM 0 HD2 ARG A 24 0.792 -8.133 2.001 1.00 33.13 H new ATOM 0 HD3 ARG A 24 2.193 -8.533 1.027 1.00 33.13 H new ATOM 0 HE ARG A 24 2.963 -6.911 3.298 1.00 52.52 H new ATOM 0 HH11 ARG A 24 2.002 -10.164 2.324 1.00 33.34 H new ATOM 0 HH12 ARG A 24 2.856 -10.942 3.660 1.00 33.34 H new ATOM 0 HH21 ARG A 24 4.064 -7.916 5.008 1.00 71.31 H new ATOM 0 HH22 ARG A 24 4.020 -9.674 5.175 1.00 71.31 H new ATOM 35 N GLU A 25 0.780 -5.415 -1.935 1.00 14.23 N ATOM 36 CA GLU A 25 -0.048 -5.889 -3.038 1.00 51.44 C ATOM 37 C GLU A 25 0.057 -4.951 -4.238 1.00 20.43 C ATOM 38 O GLU A 25 0.023 -5.392 -5.387 1.00 4.25 O ATOM 39 CB GLU A 25 -1.508 -6.008 -2.596 1.00 3.41 C ATOM 40 CG GLU A 25 -2.122 -4.687 -2.161 1.00 51.05 C ATOM 41 CD GLU A 25 -3.391 -4.873 -1.352 1.00 2.45 C ATOM 42 OE1 GLU A 25 -4.364 -5.436 -1.893 1.00 64.14 O ATOM 43 OE2 GLU A 25 -3.409 -4.453 -0.175 1.00 25.51 O ATOM 0 H GLU A 25 0.260 -4.971 -1.178 1.00 14.23 H new ATOM 0 HA GLU A 25 0.315 -6.873 -3.334 1.00 51.44 H new ATOM 0 HB2 GLU A 25 -2.095 -6.419 -3.417 1.00 3.41 H new ATOM 0 HB3 GLU A 25 -1.573 -6.718 -1.772 1.00 3.41 H new ATOM 0 HG2 GLU A 25 -1.396 -4.131 -1.568 1.00 51.05 H new ATOM 0 HG3 GLU A 25 -2.342 -4.085 -3.043 1.00 51.05 H new ATOM 50 N GLU A 26 0.184 -3.657 -3.961 1.00 34.32 N ATOM 51 CA GLU A 26 0.292 -2.658 -5.017 1.00 50.24 C ATOM 52 C GLU A 26 1.526 -2.909 -5.880 1.00 14.21 C ATOM 53 O GLU A 26 1.478 -2.780 -7.104 1.00 45.32 O ATOM 54 CB GLU A 26 0.353 -1.253 -4.416 1.00 44.41 C ATOM 55 CG GLU A 26 -0.925 -0.836 -3.710 1.00 13.35 C ATOM 56 CD GLU A 26 -1.042 0.668 -3.552 1.00 64.34 C ATOM 57 OE1 GLU A 26 0.005 1.350 -3.580 1.00 62.54 O ATOM 58 OE2 GLU A 26 -2.177 1.163 -3.402 1.00 53.01 O ATOM 0 H GLU A 26 0.215 -3.277 -3.015 1.00 34.32 H new ATOM 0 HA GLU A 26 -0.593 -2.737 -5.648 1.00 50.24 H new ATOM 0 HB2 GLU A 26 1.181 -1.206 -3.708 1.00 44.41 H new ATOM 0 HB3 GLU A 26 0.570 -0.537 -5.209 1.00 44.41 H new ATOM 0 HG2 GLU A 26 -1.783 -1.206 -4.271 1.00 13.35 H new ATOM 0 HG3 GLU A 26 -0.962 -1.305 -2.727 1.00 13.35 H new ATOM 65 N LEU A 27 2.629 -3.269 -5.233 1.00 61.12 N ATOM 66 CA LEU A 27 3.876 -3.539 -5.940 1.00 10.15 C ATOM 67 C LEU A 27 3.658 -4.542 -7.068 1.00 52.31 C ATOM 68 O LEU A 27 4.334 -4.491 -8.096 1.00 12.02 O ATOM 69 CB LEU A 27 4.932 -4.069 -4.967 1.00 74.42 C ATOM 70 CG LEU A 27 6.002 -4.980 -5.570 1.00 51.21 C ATOM 71 CD1 LEU A 27 7.368 -4.658 -4.984 1.00 21.14 C ATOM 72 CD2 LEU A 27 5.650 -6.442 -5.337 1.00 12.22 C ATOM 0 H LEU A 27 2.685 -3.381 -4.221 1.00 61.12 H new ATOM 0 HA LEU A 27 4.228 -2.604 -6.375 1.00 10.15 H new ATOM 0 HB2 LEU A 27 5.428 -3.218 -4.501 1.00 74.42 H new ATOM 0 HB3 LEU A 27 4.424 -4.615 -4.172 1.00 74.42 H new ATOM 0 HG LEU A 27 6.040 -4.803 -6.645 1.00 51.21 H new ATOM 0 HD11 LEU A 27 8.117 -5.316 -5.424 1.00 21.14 H new ATOM 0 HD12 LEU A 27 7.622 -3.621 -5.203 1.00 21.14 H new ATOM 0 HD13 LEU A 27 7.345 -4.806 -3.904 1.00 21.14 H new ATOM 0 HD21 LEU A 27 6.422 -7.076 -5.773 1.00 12.22 H new ATOM 0 HD22 LEU A 27 5.584 -6.634 -4.266 1.00 12.22 H new ATOM 0 HD23 LEU A 27 4.691 -6.664 -5.805 1.00 12.22 H new ATOM 84 N ARG A 28 2.708 -5.450 -6.869 1.00 1.52 N ATOM 85 CA ARG A 28 2.400 -6.464 -7.871 1.00 4.23 C ATOM 86 C ARG A 28 2.064 -5.819 -9.211 1.00 70.34 C ATOM 87 O ARG A 28 2.230 -6.432 -10.266 1.00 61.42 O ATOM 88 CB ARG A 28 1.232 -7.333 -7.403 1.00 73.42 C ATOM 89 CG ARG A 28 1.092 -8.634 -8.178 1.00 62.03 C ATOM 90 CD ARG A 28 -0.208 -8.676 -8.965 1.00 75.23 C ATOM 91 NE ARG A 28 -0.208 -7.726 -10.075 1.00 63.20 N ATOM 92 CZ ARG A 28 -1.313 -7.271 -10.654 1.00 24.33 C ATOM 93 NH1 ARG A 28 -2.502 -7.678 -10.231 1.00 2.40 N ATOM 94 NH2 ARG A 28 -1.230 -6.409 -11.658 1.00 54.43 N ATOM 0 H ARG A 28 2.139 -5.504 -6.024 1.00 1.52 H new ATOM 0 HA ARG A 28 3.282 -7.091 -8.001 1.00 4.23 H new ATOM 0 HB2 ARG A 28 1.362 -7.562 -6.345 1.00 73.42 H new ATOM 0 HB3 ARG A 28 0.307 -6.764 -7.495 1.00 73.42 H new ATOM 0 HG2 ARG A 28 1.935 -8.745 -8.860 1.00 62.03 H new ATOM 0 HG3 ARG A 28 1.128 -9.476 -7.487 1.00 62.03 H new ATOM 0 HD2 ARG A 28 -0.366 -9.683 -9.350 1.00 75.23 H new ATOM 0 HD3 ARG A 28 -1.042 -8.455 -8.299 1.00 75.23 H new ATOM 0 HE ARG A 28 0.691 -7.394 -10.425 1.00 63.20 H new ATOM 0 HH11 ARG A 28 -2.569 -8.342 -9.459 1.00 2.40 H new ATOM 0 HH12 ARG A 28 -3.350 -7.327 -10.677 1.00 2.40 H new ATOM 0 HH21 ARG A 28 -0.317 -6.095 -11.986 1.00 54.43 H new ATOM 0 HH22 ARG A 28 -2.079 -6.060 -12.102 1.00 54.43 H new ATOM 108 N ARG A 29 1.590 -4.578 -9.164 1.00 3.23 N ATOM 109 CA ARG A 29 1.229 -3.851 -10.375 1.00 13.13 C ATOM 110 C ARG A 29 2.472 -3.485 -11.179 1.00 42.45 C ATOM 111 O ARG A 29 2.397 -3.255 -12.387 1.00 71.30 O ATOM 112 CB ARG A 29 0.446 -2.585 -10.021 1.00 22.53 C ATOM 113 CG ARG A 29 1.329 -1.412 -9.629 1.00 64.14 C ATOM 114 CD ARG A 29 0.589 -0.432 -8.734 1.00 3.14 C ATOM 115 NE ARG A 29 -0.108 0.595 -9.503 1.00 54.11 N ATOM 116 CZ ARG A 29 -0.719 1.638 -8.953 1.00 72.41 C ATOM 117 NH1 ARG A 29 -0.718 1.792 -7.637 1.00 15.03 N ATOM 118 NH2 ARG A 29 -1.333 2.530 -9.721 1.00 30.44 N ATOM 0 H ARG A 29 1.447 -4.055 -8.300 1.00 3.23 H new ATOM 0 HA ARG A 29 0.600 -4.500 -10.985 1.00 13.13 H new ATOM 0 HB2 ARG A 29 -0.168 -2.297 -10.874 1.00 22.53 H new ATOM 0 HB3 ARG A 29 -0.235 -2.807 -9.199 1.00 22.53 H new ATOM 0 HG2 ARG A 29 2.216 -1.780 -9.113 1.00 64.14 H new ATOM 0 HG3 ARG A 29 1.673 -0.898 -10.527 1.00 64.14 H new ATOM 0 HD2 ARG A 29 -0.130 -0.974 -8.119 1.00 3.14 H new ATOM 0 HD3 ARG A 29 1.296 0.042 -8.054 1.00 3.14 H new ATOM 0 HE ARG A 29 -0.127 0.506 -10.519 1.00 54.11 H new ATOM 0 HH11 ARG A 29 -0.247 1.109 -7.044 1.00 15.03 H new ATOM 0 HH12 ARG A 29 -1.188 2.594 -7.217 1.00 15.03 H new ATOM 0 HH21 ARG A 29 -1.336 2.415 -10.734 1.00 30.44 H new ATOM 0 HH22 ARG A 29 -1.802 3.331 -9.298 1.00 30.44 H new ATOM 132 N ARG A 30 3.615 -3.431 -10.503 1.00 53.21 N ATOM 133 CA ARG A 30 4.873 -3.090 -11.154 1.00 63.32 C ATOM 134 C ARG A 30 5.479 -4.312 -11.840 1.00 15.43 C ATOM 135 O ARG A 30 6.088 -4.201 -12.905 1.00 61.21 O ATOM 136 CB ARG A 30 5.863 -2.522 -10.136 1.00 11.32 C ATOM 137 CG ARG A 30 7.105 -1.912 -10.766 1.00 74.41 C ATOM 138 CD ARG A 30 7.543 -0.655 -10.031 1.00 32.04 C ATOM 139 NE ARG A 30 8.051 0.365 -10.945 1.00 34.53 N ATOM 140 CZ ARG A 30 8.808 1.386 -10.559 1.00 73.33 C ATOM 141 NH1 ARG A 30 9.145 1.521 -9.285 1.00 13.54 N ATOM 142 NH2 ARG A 30 9.231 2.273 -11.451 1.00 73.41 N ATOM 0 H ARG A 30 3.695 -3.619 -9.504 1.00 53.21 H new ATOM 0 HA ARG A 30 4.667 -2.333 -11.911 1.00 63.32 H new ATOM 0 HB2 ARG A 30 5.360 -1.763 -9.538 1.00 11.32 H new ATOM 0 HB3 ARG A 30 6.165 -3.317 -9.454 1.00 11.32 H new ATOM 0 HG2 ARG A 30 7.915 -2.641 -10.756 1.00 74.41 H new ATOM 0 HG3 ARG A 30 6.904 -1.673 -11.810 1.00 74.41 H new ATOM 0 HD2 ARG A 30 6.700 -0.251 -9.470 1.00 32.04 H new ATOM 0 HD3 ARG A 30 8.316 -0.910 -9.306 1.00 32.04 H new ATOM 0 HE ARG A 30 7.811 0.289 -11.934 1.00 34.53 H new ATOM 0 HH11 ARG A 30 8.823 0.840 -8.597 1.00 13.54 H new ATOM 0 HH12 ARG A 30 9.726 2.306 -8.992 1.00 13.54 H new ATOM 0 HH21 ARG A 30 8.975 2.171 -12.433 1.00 73.41 H new ATOM 0 HH22 ARG A 30 9.812 3.057 -11.155 1.00 73.41 H new ATOM 156 N LEU A 31 5.307 -5.475 -11.222 1.00 53.22 N ATOM 157 CA LEU A 31 5.837 -6.718 -11.772 1.00 54.25 C ATOM 158 C LEU A 31 5.025 -7.168 -12.983 1.00 54.14 C ATOM 159 O LEU A 31 5.551 -7.810 -13.892 1.00 40.12 O ATOM 160 CB LEU A 31 5.831 -7.814 -10.706 1.00 23.42 C ATOM 161 CG LEU A 31 6.288 -7.393 -9.308 1.00 44.43 C ATOM 162 CD1 LEU A 31 6.049 -8.513 -8.308 1.00 62.02 C ATOM 163 CD2 LEU A 31 7.757 -6.996 -9.325 1.00 63.22 C ATOM 0 H LEU A 31 4.805 -5.584 -10.341 1.00 53.22 H new ATOM 0 HA LEU A 31 6.863 -6.536 -12.092 1.00 54.25 H new ATOM 0 HB2 LEU A 31 4.820 -8.214 -10.631 1.00 23.42 H new ATOM 0 HB3 LEU A 31 6.472 -8.628 -11.046 1.00 23.42 H new ATOM 0 HG LEU A 31 5.701 -6.528 -9.000 1.00 44.43 H new ATOM 0 HD11 LEU A 31 6.380 -8.195 -7.319 1.00 62.02 H new ATOM 0 HD12 LEU A 31 4.986 -8.751 -8.275 1.00 62.02 H new ATOM 0 HD13 LEU A 31 6.609 -9.397 -8.611 1.00 62.02 H new ATOM 0 HD21 LEU A 31 8.065 -6.699 -8.322 1.00 63.22 H new ATOM 0 HD22 LEU A 31 8.359 -7.843 -9.654 1.00 63.22 H new ATOM 0 HD23 LEU A 31 7.900 -6.161 -10.011 1.00 63.22 H new ATOM 175 N ARG A 32 3.741 -6.824 -12.989 1.00 30.33 N ATOM 176 CA ARG A 32 2.856 -7.192 -14.089 1.00 5.45 C ATOM 177 C ARG A 32 2.948 -6.174 -15.221 1.00 54.53 C ATOM 178 O ARG A 32 2.921 -6.536 -16.398 1.00 33.24 O ATOM 179 CB ARG A 32 1.412 -7.295 -13.596 1.00 12.11 C ATOM 180 CG ARG A 32 0.901 -8.723 -13.504 1.00 21.43 C ATOM 181 CD ARG A 32 0.916 -9.410 -14.861 1.00 12.12 C ATOM 182 NE ARG A 32 -0.345 -10.090 -15.144 1.00 31.12 N ATOM 183 CZ ARG A 32 -0.477 -11.040 -16.063 1.00 54.32 C ATOM 184 NH1 ARG A 32 0.569 -11.420 -16.784 1.00 5.33 N ATOM 185 NH2 ARG A 32 -1.658 -11.612 -16.263 1.00 41.30 N ATOM 0 H ARG A 32 3.290 -6.291 -12.245 1.00 30.33 H new ATOM 0 HA ARG A 32 3.172 -8.163 -14.470 1.00 5.45 H new ATOM 0 HB2 ARG A 32 1.338 -6.828 -12.614 1.00 12.11 H new ATOM 0 HB3 ARG A 32 0.766 -6.729 -14.268 1.00 12.11 H new ATOM 0 HG2 ARG A 32 1.517 -9.286 -12.803 1.00 21.43 H new ATOM 0 HG3 ARG A 32 -0.114 -8.722 -13.107 1.00 21.43 H new ATOM 0 HD2 ARG A 32 1.112 -8.672 -15.639 1.00 12.12 H new ATOM 0 HD3 ARG A 32 1.732 -10.132 -14.893 1.00 12.12 H new ATOM 0 HE ARG A 32 -1.169 -9.821 -14.607 1.00 31.12 H new ATOM 0 HH11 ARG A 32 1.478 -10.983 -16.634 1.00 5.33 H new ATOM 0 HH12 ARG A 32 0.465 -12.150 -17.489 1.00 5.33 H new ATOM 0 HH21 ARG A 32 -2.465 -11.322 -15.711 1.00 41.30 H new ATOM 0 HH22 ARG A 32 -1.758 -12.341 -16.969 1.00 41.30 H new ATOM 199 N ASP A 33 3.053 -4.900 -14.859 1.00 74.34 N ATOM 200 CA ASP A 33 3.148 -3.830 -15.845 1.00 60.12 C ATOM 201 C ASP A 33 4.467 -3.907 -16.606 1.00 64.25 C ATOM 202 O ASP A 33 4.545 -3.531 -17.777 1.00 11.44 O ATOM 203 CB ASP A 33 3.016 -2.467 -15.165 1.00 2.14 C ATOM 204 CG ASP A 33 2.877 -1.332 -16.161 1.00 24.25 C ATOM 205 OD1 ASP A 33 1.861 -1.302 -16.886 1.00 23.45 O ATOM 206 OD2 ASP A 33 3.784 -0.476 -16.215 1.00 64.22 O ATOM 0 H ASP A 33 3.074 -4.583 -13.890 1.00 74.34 H new ATOM 0 HA ASP A 33 2.331 -3.953 -16.557 1.00 60.12 H new ATOM 0 HB2 ASP A 33 2.148 -2.476 -14.506 1.00 2.14 H new ATOM 0 HB3 ASP A 33 3.890 -2.291 -14.538 1.00 2.14 H new ATOM 211 N LEU A 34 5.504 -4.396 -15.934 1.00 34.11 N ATOM 212 CA LEU A 34 6.822 -4.523 -16.546 1.00 53.51 C ATOM 213 C LEU A 34 6.758 -5.382 -17.806 1.00 13.14 C ATOM 214 O LEU A 34 7.628 -5.296 -18.672 1.00 0.43 O ATOM 215 CB LEU A 34 7.812 -5.129 -15.551 1.00 71.42 C ATOM 216 CG LEU A 34 9.156 -4.411 -15.419 1.00 62.55 C ATOM 217 CD1 LEU A 34 10.086 -5.184 -14.496 1.00 70.44 C ATOM 218 CD2 LEU A 34 9.796 -4.222 -16.786 1.00 61.03 C ATOM 0 H LEU A 34 5.457 -4.711 -14.965 1.00 34.11 H new ATOM 0 HA LEU A 34 7.163 -3.526 -16.826 1.00 53.51 H new ATOM 0 HB2 LEU A 34 7.339 -5.156 -14.569 1.00 71.42 H new ATOM 0 HB3 LEU A 34 8.002 -6.162 -15.842 1.00 71.42 H new ATOM 0 HG LEU A 34 8.979 -3.428 -14.983 1.00 62.55 H new ATOM 0 HD11 LEU A 34 11.037 -4.658 -14.414 1.00 70.44 H new ATOM 0 HD12 LEU A 34 9.632 -5.268 -13.509 1.00 70.44 H new ATOM 0 HD13 LEU A 34 10.256 -6.181 -14.903 1.00 70.44 H new ATOM 0 HD21 LEU A 34 10.751 -3.710 -16.673 1.00 61.03 H new ATOM 0 HD22 LEU A 34 9.959 -5.195 -17.249 1.00 61.03 H new ATOM 0 HD23 LEU A 34 9.137 -3.626 -17.417 1.00 61.03 H new ATOM 230 N ILE A 35 5.721 -6.208 -17.899 1.00 21.21 N ATOM 231 CA ILE A 35 5.543 -7.080 -19.053 1.00 53.15 C ATOM 232 C ILE A 35 4.857 -6.342 -20.199 1.00 3.52 C ATOM 233 O ILE A 35 4.976 -6.732 -21.360 1.00 5.23 O ATOM 234 CB ILE A 35 4.714 -8.328 -18.694 1.00 41.31 C ATOM 235 CG1 ILE A 35 5.425 -9.145 -17.614 1.00 25.14 C ATOM 236 CG2 ILE A 35 4.469 -9.176 -19.933 1.00 13.12 C ATOM 237 CD1 ILE A 35 4.691 -9.170 -16.292 1.00 54.35 C ATOM 0 H ILE A 35 4.993 -6.291 -17.190 1.00 21.21 H new ATOM 0 HA ILE A 35 6.539 -7.393 -19.368 1.00 53.15 H new ATOM 0 HB ILE A 35 3.749 -8.005 -18.303 1.00 41.31 H new ATOM 0 HG12 ILE A 35 5.552 -10.168 -17.969 1.00 25.14 H new ATOM 0 HG13 ILE A 35 6.423 -8.735 -17.458 1.00 25.14 H new ATOM 0 HG21 ILE A 35 3.882 -10.054 -19.663 1.00 13.12 H new ATOM 0 HG22 ILE A 35 3.925 -8.590 -20.673 1.00 13.12 H new ATOM 0 HG23 ILE A 35 5.424 -9.493 -20.352 1.00 13.12 H new ATOM 0 HD11 ILE A 35 5.254 -9.768 -15.575 1.00 54.35 H new ATOM 0 HD12 ILE A 35 4.587 -8.153 -15.914 1.00 54.35 H new ATOM 0 HD13 ILE A 35 3.703 -9.608 -16.433 1.00 54.35 H new ATOM 249 N GLU A 36 4.142 -5.272 -19.863 1.00 65.52 N ATOM 250 CA GLU A 36 3.440 -4.480 -20.865 1.00 52.32 C ATOM 251 C GLU A 36 4.364 -3.429 -21.474 1.00 21.12 C ATOM 252 O GLU A 36 4.265 -3.112 -22.658 1.00 73.14 O ATOM 253 CB GLU A 36 2.218 -3.800 -20.243 1.00 72.24 C ATOM 254 CG GLU A 36 1.185 -3.352 -21.265 1.00 35.31 C ATOM 255 CD GLU A 36 0.587 -1.998 -20.936 1.00 22.43 C ATOM 256 OE1 GLU A 36 1.364 -1.055 -20.676 1.00 64.11 O ATOM 257 OE2 GLU A 36 -0.656 -1.881 -20.937 1.00 65.11 O ATOM 0 H GLU A 36 4.034 -4.935 -18.906 1.00 65.52 H new ATOM 0 HA GLU A 36 3.111 -5.152 -21.657 1.00 52.32 H new ATOM 0 HB2 GLU A 36 1.748 -4.488 -19.541 1.00 72.24 H new ATOM 0 HB3 GLU A 36 2.547 -2.934 -19.668 1.00 72.24 H new ATOM 0 HG2 GLU A 36 1.649 -3.310 -22.250 1.00 35.31 H new ATOM 0 HG3 GLU A 36 0.388 -4.093 -21.319 1.00 35.31 H new ATOM 264 N GLY A 37 5.263 -2.894 -20.654 1.00 2.41 N ATOM 265 CA GLY A 37 6.192 -1.885 -21.129 1.00 23.03 C ATOM 266 C GLY A 37 7.245 -2.458 -22.057 1.00 43.00 C ATOM 267 O GLY A 37 7.932 -1.717 -22.759 1.00 3.35 O ATOM 0 H GLY A 37 5.365 -3.141 -19.670 1.00 2.41 H new ATOM 0 HA2 GLY A 37 5.639 -1.103 -21.650 1.00 23.03 H new ATOM 0 HA3 GLY A 37 6.681 -1.415 -20.276 1.00 23.03 H new ATOM 271 N ASN A 38 7.373 -3.780 -22.059 1.00 65.13 N ATOM 272 CA ASN A 38 8.353 -4.452 -22.906 1.00 55.34 C ATOM 273 C ASN A 38 7.768 -5.726 -23.509 1.00 31.15 C ATOM 274 O ASN A 38 7.037 -6.460 -22.844 1.00 73.14 O ATOM 275 CB ASN A 38 9.611 -4.785 -22.102 1.00 60.45 C ATOM 276 CG ASN A 38 10.085 -3.617 -21.261 1.00 1.24 C ATOM 277 OD1 ASN A 38 10.820 -2.751 -21.737 1.00 71.23 O ATOM 278 ND2 ASN A 38 9.666 -3.586 -20.000 1.00 43.43 N ATOM 0 H ASN A 38 6.811 -4.408 -21.484 1.00 65.13 H new ATOM 0 HA ASN A 38 8.619 -3.776 -23.718 1.00 55.34 H new ATOM 0 HB2 ASN A 38 9.409 -5.638 -21.454 1.00 60.45 H new ATOM 0 HB3 ASN A 38 10.406 -5.084 -22.784 1.00 60.45 H new ATOM 0 HD21 ASN A 38 9.953 -2.824 -19.386 1.00 43.43 H new ATOM 0 HD22 ASN A 38 9.058 -4.324 -19.646 1.00 43.43 H new ATOM 285 N ARG A 39 8.096 -5.982 -24.771 1.00 24.44 N ATOM 286 CA ARG A 39 7.604 -7.167 -25.463 1.00 53.30 C ATOM 287 C ARG A 39 7.766 -8.411 -24.595 1.00 65.40 C ATOM 288 O ARG A 39 6.801 -9.128 -24.331 1.00 2.30 O ATOM 289 CB ARG A 39 8.346 -7.356 -26.788 1.00 0.13 C ATOM 290 CG ARG A 39 7.972 -8.634 -27.519 1.00 1.20 C ATOM 291 CD ARG A 39 6.555 -8.567 -28.068 1.00 21.32 C ATOM 292 NE ARG A 39 6.476 -7.761 -29.282 1.00 44.31 N ATOM 293 CZ ARG A 39 5.344 -7.253 -29.755 1.00 54.21 C ATOM 294 NH1 ARG A 39 4.200 -7.466 -29.118 1.00 44.11 N ATOM 295 NH2 ARG A 39 5.353 -6.528 -30.867 1.00 71.43 N ATOM 0 H ARG A 39 8.700 -5.385 -25.335 1.00 24.44 H new ATOM 0 HA ARG A 39 6.543 -7.023 -25.666 1.00 53.30 H new ATOM 0 HB2 ARG A 39 8.139 -6.504 -27.435 1.00 0.13 H new ATOM 0 HB3 ARG A 39 9.419 -7.358 -26.597 1.00 0.13 H new ATOM 0 HG2 ARG A 39 8.672 -8.805 -28.336 1.00 1.20 H new ATOM 0 HG3 ARG A 39 8.061 -9.482 -26.840 1.00 1.20 H new ATOM 0 HD2 ARG A 39 6.200 -9.576 -28.279 1.00 21.32 H new ATOM 0 HD3 ARG A 39 5.892 -8.148 -27.311 1.00 21.32 H new ATOM 0 HE ARG A 39 7.338 -7.578 -29.796 1.00 44.31 H new ATOM 0 HH11 ARG A 39 4.188 -8.021 -28.262 1.00 44.11 H new ATOM 0 HH12 ARG A 39 3.332 -7.074 -29.484 1.00 44.11 H new ATOM 0 HH21 ARG A 39 6.230 -6.360 -31.359 1.00 71.43 H new ATOM 0 HH22 ARG A 39 4.483 -6.139 -31.229 1.00 71.43 H new ATOM 309 N VAL A 40 8.995 -8.662 -24.153 1.00 41.14 N ATOM 310 CA VAL A 40 9.285 -9.819 -23.315 1.00 4.21 C ATOM 311 C VAL A 40 9.843 -9.391 -21.962 1.00 71.11 C ATOM 312 O VAL A 40 10.767 -8.581 -21.889 1.00 12.42 O ATOM 313 CB VAL A 40 10.289 -10.767 -23.995 1.00 24.54 C ATOM 314 CG1 VAL A 40 10.468 -12.036 -23.173 1.00 13.23 C ATOM 315 CG2 VAL A 40 9.836 -11.099 -25.409 1.00 31.02 C ATOM 0 H VAL A 40 9.806 -8.079 -24.362 1.00 41.14 H new ATOM 0 HA VAL A 40 8.343 -10.346 -23.166 1.00 4.21 H new ATOM 0 HB VAL A 40 11.253 -10.262 -24.056 1.00 24.54 H new ATOM 0 HG11 VAL A 40 11.181 -12.694 -23.670 1.00 13.23 H new ATOM 0 HG12 VAL A 40 10.842 -11.778 -22.182 1.00 13.23 H new ATOM 0 HG13 VAL A 40 9.509 -12.546 -23.078 1.00 13.23 H new ATOM 0 HG21 VAL A 40 10.558 -11.770 -25.874 1.00 31.02 H new ATOM 0 HG22 VAL A 40 8.860 -11.583 -25.374 1.00 31.02 H new ATOM 0 HG23 VAL A 40 9.765 -10.181 -25.993 1.00 31.02 H new ATOM 325 N MET A 41 9.276 -9.941 -20.894 1.00 22.03 N ATOM 326 CA MET A 41 9.719 -9.617 -19.542 1.00 33.11 C ATOM 327 C MET A 41 9.956 -10.885 -18.729 1.00 32.32 C ATOM 328 O MET A 41 9.085 -11.752 -18.646 1.00 24.15 O ATOM 329 CB MET A 41 8.683 -8.734 -18.841 1.00 65.23 C ATOM 330 CG MET A 41 9.041 -8.405 -17.401 1.00 42.35 C ATOM 331 SD MET A 41 10.649 -7.600 -17.252 1.00 14.01 S ATOM 332 CE MET A 41 11.298 -8.409 -15.793 1.00 21.12 C ATOM 0 H MET A 41 8.510 -10.613 -20.938 1.00 22.03 H new ATOM 0 HA MET A 41 10.660 -9.073 -19.616 1.00 33.11 H new ATOM 0 HB2 MET A 41 8.571 -7.805 -19.400 1.00 65.23 H new ATOM 0 HB3 MET A 41 7.716 -9.237 -18.861 1.00 65.23 H new ATOM 0 HG2 MET A 41 8.274 -7.756 -16.979 1.00 42.35 H new ATOM 0 HG3 MET A 41 9.042 -9.322 -16.812 1.00 42.35 H new ATOM 0 HE1 MET A 41 12.384 -8.472 -15.865 1.00 21.12 H new ATOM 0 HE2 MET A 41 11.025 -7.835 -14.907 1.00 21.12 H new ATOM 0 HE3 MET A 41 10.880 -9.413 -15.718 1.00 21.12 H new ATOM 342 N ILE A 42 11.139 -10.988 -18.132 1.00 11.11 N ATOM 343 CA ILE A 42 11.489 -12.150 -17.326 1.00 22.55 C ATOM 344 C ILE A 42 12.082 -11.730 -15.985 1.00 74.13 C ATOM 345 O ILE A 42 12.893 -10.806 -15.914 1.00 54.02 O ATOM 346 CB ILE A 42 12.495 -13.060 -18.056 1.00 30.20 C ATOM 347 CG1 ILE A 42 13.064 -12.345 -19.284 1.00 32.34 C ATOM 348 CG2 ILE A 42 11.829 -14.368 -18.459 1.00 1.03 C ATOM 349 CD1 ILE A 42 12.095 -12.272 -20.444 1.00 30.12 C ATOM 0 H ILE A 42 11.871 -10.280 -18.192 1.00 11.11 H new ATOM 0 HA ILE A 42 10.566 -12.705 -17.156 1.00 22.55 H new ATOM 0 HB ILE A 42 13.317 -13.287 -17.378 1.00 30.20 H new ATOM 0 HG12 ILE A 42 13.357 -11.334 -19.002 1.00 32.34 H new ATOM 0 HG13 ILE A 42 13.968 -12.861 -19.608 1.00 32.34 H new ATOM 0 HG21 ILE A 42 12.552 -15.001 -18.974 1.00 1.03 H new ATOM 0 HG22 ILE A 42 11.467 -14.881 -17.568 1.00 1.03 H new ATOM 0 HG23 ILE A 42 10.991 -14.160 -19.124 1.00 1.03 H new ATOM 0 HD11 ILE A 42 12.565 -11.752 -21.279 1.00 30.12 H new ATOM 0 HD12 ILE A 42 11.820 -13.281 -20.753 1.00 30.12 H new ATOM 0 HD13 ILE A 42 11.200 -11.730 -20.137 1.00 30.12 H new ATOM 361 N PHE A 43 11.673 -12.418 -14.923 1.00 4.35 N ATOM 362 CA PHE A 43 12.165 -12.117 -13.583 1.00 11.01 C ATOM 363 C PHE A 43 13.006 -13.269 -13.041 1.00 52.13 C ATOM 364 O PHE A 43 12.674 -14.439 -13.235 1.00 4.23 O ATOM 365 CB PHE A 43 10.995 -11.837 -12.639 1.00 53.41 C ATOM 366 CG PHE A 43 10.247 -10.576 -12.968 1.00 51.40 C ATOM 367 CD1 PHE A 43 9.305 -10.558 -13.983 1.00 75.05 C ATOM 368 CD2 PHE A 43 10.487 -9.408 -12.262 1.00 10.33 C ATOM 369 CE1 PHE A 43 8.617 -9.399 -14.288 1.00 60.35 C ATOM 370 CE2 PHE A 43 9.802 -8.246 -12.562 1.00 1.11 C ATOM 371 CZ PHE A 43 8.864 -8.242 -13.576 1.00 42.31 C ATOM 0 H PHE A 43 11.003 -13.186 -14.964 1.00 4.35 H new ATOM 0 HA PHE A 43 12.794 -11.229 -13.645 1.00 11.01 H new ATOM 0 HB2 PHE A 43 10.303 -12.679 -12.671 1.00 53.41 H new ATOM 0 HB3 PHE A 43 11.370 -11.771 -11.618 1.00 53.41 H new ATOM 0 HD1 PHE A 43 9.106 -11.460 -14.543 1.00 75.05 H new ATOM 0 HD2 PHE A 43 11.218 -9.406 -11.467 1.00 10.33 H new ATOM 0 HE1 PHE A 43 7.886 -9.398 -15.083 1.00 60.35 H new ATOM 0 HE2 PHE A 43 10.000 -7.342 -12.005 1.00 1.11 H new ATOM 0 HZ PHE A 43 8.325 -7.336 -13.811 1.00 42.31 H new ATOM 381 N SER A 44 14.096 -12.929 -12.361 1.00 32.44 N ATOM 382 CA SER A 44 14.988 -13.934 -11.794 1.00 54.23 C ATOM 383 C SER A 44 15.571 -13.457 -10.468 1.00 10.12 C ATOM 384 O SER A 44 15.118 -12.464 -9.898 1.00 15.41 O ATOM 385 CB SER A 44 16.117 -14.256 -12.775 1.00 2.51 C ATOM 386 OG SER A 44 16.190 -15.647 -13.031 1.00 72.12 O ATOM 0 H SER A 44 14.383 -11.965 -12.189 1.00 32.44 H new ATOM 0 HA SER A 44 14.407 -14.838 -11.611 1.00 54.23 H new ATOM 0 HB2 SER A 44 15.955 -13.719 -13.710 1.00 2.51 H new ATOM 0 HB3 SER A 44 17.066 -13.908 -12.368 1.00 2.51 H new ATOM 0 HG SER A 44 15.344 -16.071 -12.776 1.00 72.12 H new ATOM 392 N LYS A 45 16.579 -14.172 -9.980 1.00 72.14 N ATOM 393 CA LYS A 45 17.227 -13.823 -8.721 1.00 43.03 C ATOM 394 C LYS A 45 18.745 -13.918 -8.846 1.00 53.10 C ATOM 395 O LYS A 45 19.276 -14.103 -9.941 1.00 25.51 O ATOM 396 CB LYS A 45 16.738 -14.743 -7.601 1.00 3.31 C ATOM 397 CG LYS A 45 15.470 -14.254 -6.923 1.00 0.04 C ATOM 398 CD LYS A 45 15.606 -14.269 -5.409 1.00 72.05 C ATOM 399 CE LYS A 45 14.891 -15.464 -4.797 1.00 32.31 C ATOM 400 NZ LYS A 45 13.988 -15.059 -3.684 1.00 73.13 N ATOM 0 H LYS A 45 16.965 -14.998 -10.438 1.00 72.14 H new ATOM 0 HA LYS A 45 16.964 -12.793 -8.478 1.00 43.03 H new ATOM 0 HB2 LYS A 45 16.561 -15.738 -8.010 1.00 3.31 H new ATOM 0 HB3 LYS A 45 17.525 -14.842 -6.853 1.00 3.31 H new ATOM 0 HG2 LYS A 45 15.244 -13.242 -7.259 1.00 0.04 H new ATOM 0 HG3 LYS A 45 14.631 -14.884 -7.220 1.00 0.04 H new ATOM 0 HD2 LYS A 45 16.661 -14.297 -5.138 1.00 72.05 H new ATOM 0 HD3 LYS A 45 15.195 -13.347 -4.997 1.00 72.05 H new ATOM 0 HE2 LYS A 45 14.312 -15.974 -5.567 1.00 32.31 H new ATOM 0 HE3 LYS A 45 15.627 -16.177 -4.426 1.00 32.31 H new ATOM 0 HZ1 LYS A 45 13.136 -15.656 -3.693 1.00 73.13 H new ATOM 0 HZ2 LYS A 45 14.482 -15.175 -2.776 1.00 73.13 H new ATOM 0 HZ3 LYS A 45 13.714 -14.063 -3.804 1.00 73.13 H new ATOM 414 N SER A 46 19.435 -13.790 -7.718 1.00 60.13 N ATOM 415 CA SER A 46 20.892 -13.859 -7.702 1.00 33.43 C ATOM 416 C SER A 46 21.369 -15.303 -7.834 1.00 32.11 C ATOM 417 O SER A 46 22.199 -15.619 -8.687 1.00 13.12 O ATOM 418 CB SER A 46 21.438 -13.246 -6.410 1.00 60.15 C ATOM 419 OG SER A 46 22.776 -12.809 -6.581 1.00 32.35 O ATOM 0 H SER A 46 19.010 -13.638 -6.803 1.00 60.13 H new ATOM 0 HA SER A 46 21.268 -13.291 -8.553 1.00 33.43 H new ATOM 0 HB2 SER A 46 20.813 -12.405 -6.109 1.00 60.15 H new ATOM 0 HB3 SER A 46 21.392 -13.981 -5.606 1.00 60.15 H new ATOM 0 HG SER A 46 23.103 -12.420 -5.743 1.00 32.35 H new ATOM 425 N TYR A 47 20.838 -16.174 -6.984 1.00 23.31 N ATOM 426 CA TYR A 47 21.210 -17.584 -7.003 1.00 31.13 C ATOM 427 C TYR A 47 19.972 -18.474 -7.054 1.00 53.21 C ATOM 428 O TYR A 47 19.656 -19.173 -6.091 1.00 72.13 O ATOM 429 CB TYR A 47 22.048 -17.928 -5.770 1.00 64.41 C ATOM 430 CG TYR A 47 21.742 -17.064 -4.568 1.00 73.14 C ATOM 431 CD1 TYR A 47 20.576 -17.247 -3.835 1.00 22.43 C ATOM 432 CD2 TYR A 47 22.618 -16.064 -4.166 1.00 21.24 C ATOM 433 CE1 TYR A 47 20.292 -16.459 -2.737 1.00 33.32 C ATOM 434 CE2 TYR A 47 22.343 -15.272 -3.067 1.00 74.21 C ATOM 435 CZ TYR A 47 21.178 -15.473 -2.357 1.00 20.32 C ATOM 436 OH TYR A 47 20.899 -14.687 -1.263 1.00 30.12 O ATOM 0 H TYR A 47 20.149 -15.929 -6.273 1.00 23.31 H new ATOM 0 HA TYR A 47 21.802 -17.765 -7.900 1.00 31.13 H new ATOM 0 HB2 TYR A 47 21.881 -18.973 -5.508 1.00 64.41 H new ATOM 0 HB3 TYR A 47 23.104 -17.827 -6.020 1.00 64.41 H new ATOM 0 HD1 TYR A 47 19.880 -18.019 -4.129 1.00 22.43 H new ATOM 0 HD2 TYR A 47 23.530 -15.902 -4.722 1.00 21.24 H new ATOM 0 HE1 TYR A 47 19.381 -16.614 -2.179 1.00 33.32 H new ATOM 0 HE2 TYR A 47 23.036 -14.500 -2.766 1.00 74.21 H new ATOM 0 HH TYR A 47 21.625 -14.042 -1.130 1.00 30.12 H new ATOM 446 N CYS A 48 19.276 -18.443 -8.185 1.00 14.11 N ATOM 447 CA CYS A 48 18.071 -19.246 -8.364 1.00 43.14 C ATOM 448 C CYS A 48 17.998 -19.806 -9.781 1.00 73.03 C ATOM 449 O CYS A 48 17.569 -19.134 -10.720 1.00 34.43 O ATOM 450 CB CYS A 48 16.826 -18.409 -8.068 1.00 44.43 C ATOM 451 SG CYS A 48 16.677 -17.893 -6.342 1.00 40.41 S ATOM 0 H CYS A 48 19.525 -17.871 -8.992 1.00 14.11 H new ATOM 0 HA CYS A 48 18.112 -20.081 -7.664 1.00 43.14 H new ATOM 0 HB2 CYS A 48 16.839 -17.522 -8.701 1.00 44.43 H new ATOM 0 HB3 CYS A 48 15.941 -18.984 -8.342 1.00 44.43 H new ATOM 0 HG CYS A 48 17.722 -18.291 -5.678 1.00 40.41 H new ATOM 457 N PRO A 49 18.426 -21.067 -9.942 1.00 40.21 N ATOM 458 CA PRO A 49 18.420 -21.746 -11.242 1.00 11.45 C ATOM 459 C PRO A 49 17.008 -22.060 -11.724 1.00 23.14 C ATOM 460 O PRO A 49 16.044 -21.959 -10.964 1.00 0.14 O ATOM 461 CB PRO A 49 19.192 -23.038 -10.970 1.00 64.11 C ATOM 462 CG PRO A 49 19.020 -23.284 -9.511 1.00 32.32 C ATOM 463 CD PRO A 49 18.950 -21.927 -8.868 1.00 14.14 C ATOM 0 HA PRO A 49 18.858 -21.129 -12.027 1.00 11.45 H new ATOM 0 HB2 PRO A 49 18.798 -23.866 -11.560 1.00 64.11 H new ATOM 0 HB3 PRO A 49 20.245 -22.932 -11.232 1.00 64.11 H new ATOM 0 HG2 PRO A 49 18.113 -23.856 -9.316 1.00 32.32 H new ATOM 0 HG3 PRO A 49 19.853 -23.863 -9.112 1.00 32.32 H new ATOM 0 HD2 PRO A 49 18.294 -21.928 -7.998 1.00 14.14 H new ATOM 0 HD3 PRO A 49 19.930 -21.593 -8.528 1.00 14.14 H new ATOM 471 N HIS A 50 16.892 -22.444 -12.991 1.00 43.24 N ATOM 472 CA HIS A 50 15.597 -22.775 -13.575 1.00 11.33 C ATOM 473 C HIS A 50 14.856 -21.512 -14.006 1.00 3.14 C ATOM 474 O HIS A 50 14.369 -21.421 -15.132 1.00 42.04 O ATOM 475 CB HIS A 50 14.749 -23.560 -12.574 1.00 31.42 C ATOM 476 CG HIS A 50 13.944 -24.656 -13.202 1.00 61.12 C ATOM 477 ND1 HIS A 50 13.503 -24.613 -14.508 1.00 4.32 N ATOM 478 CD2 HIS A 50 13.501 -25.831 -12.696 1.00 41.32 C ATOM 479 CE1 HIS A 50 12.824 -25.714 -14.777 1.00 54.33 C ATOM 480 NE2 HIS A 50 12.808 -26.469 -13.695 1.00 22.32 N ATOM 0 H HIS A 50 17.679 -22.534 -13.633 1.00 43.24 H new ATOM 0 HA HIS A 50 15.771 -23.392 -14.457 1.00 11.33 H new ATOM 0 HB2 HIS A 50 15.402 -23.989 -11.815 1.00 31.42 H new ATOM 0 HB3 HIS A 50 14.075 -22.872 -12.063 1.00 31.42 H new ATOM 0 HD2 HIS A 50 13.663 -26.198 -11.693 1.00 41.32 H new ATOM 0 HE1 HIS A 50 12.361 -25.955 -15.722 1.00 54.33 H new ATOM 0 HE2 HIS A 50 12.354 -27.379 -13.614 1.00 22.32 H new ATOM 488 N SER A 51 14.776 -20.541 -13.101 1.00 51.32 N ATOM 489 CA SER A 51 14.091 -19.285 -13.387 1.00 30.41 C ATOM 490 C SER A 51 14.956 -18.382 -14.260 1.00 41.50 C ATOM 491 O SER A 51 14.445 -17.532 -14.992 1.00 24.52 O ATOM 492 CB SER A 51 13.736 -18.566 -12.084 1.00 42.03 C ATOM 493 OG SER A 51 13.692 -17.163 -12.272 1.00 4.04 O ATOM 0 H SER A 51 15.176 -20.600 -12.165 1.00 51.32 H new ATOM 0 HA SER A 51 13.173 -19.514 -13.929 1.00 30.41 H new ATOM 0 HB2 SER A 51 12.770 -18.918 -11.722 1.00 42.03 H new ATOM 0 HB3 SER A 51 14.472 -18.811 -11.318 1.00 42.03 H new ATOM 0 HG SER A 51 12.904 -16.929 -12.806 1.00 4.04 H new ATOM 499 N THR A 52 16.269 -18.570 -14.179 1.00 21.41 N ATOM 500 CA THR A 52 17.206 -17.772 -14.960 1.00 73.51 C ATOM 501 C THR A 52 17.398 -18.358 -16.354 1.00 74.22 C ATOM 502 O THR A 52 17.526 -17.624 -17.334 1.00 15.35 O ATOM 503 CB THR A 52 18.576 -17.674 -14.264 1.00 2.10 C ATOM 504 OG1 THR A 52 18.472 -16.864 -13.088 1.00 60.53 O ATOM 505 CG2 THR A 52 19.619 -17.083 -15.202 1.00 73.44 C ATOM 0 H THR A 52 16.708 -19.269 -13.580 1.00 21.41 H new ATOM 0 HA THR A 52 16.777 -16.773 -15.044 1.00 73.51 H new ATOM 0 HB THR A 52 18.889 -18.680 -13.985 1.00 2.10 H new ATOM 0 HG1 THR A 52 17.531 -16.642 -12.926 1.00 60.53 H new ATOM 0 HG21 THR A 52 20.578 -17.024 -14.688 1.00 73.44 H new ATOM 0 HG22 THR A 52 19.718 -17.718 -16.083 1.00 73.44 H new ATOM 0 HG23 THR A 52 19.309 -16.084 -15.508 1.00 73.44 H new ATOM 513 N ARG A 53 17.414 -19.684 -16.437 1.00 22.11 N ATOM 514 CA ARG A 53 17.591 -20.368 -17.712 1.00 72.24 C ATOM 515 C ARG A 53 16.457 -20.026 -18.674 1.00 62.02 C ATOM 516 O ARG A 53 16.686 -19.784 -19.859 1.00 41.11 O ATOM 517 CB ARG A 53 17.653 -21.882 -17.499 1.00 1.53 C ATOM 518 CG ARG A 53 16.897 -22.677 -18.551 1.00 14.45 C ATOM 519 CD ARG A 53 17.544 -22.545 -19.921 1.00 62.30 C ATOM 520 NE ARG A 53 18.162 -23.794 -20.357 1.00 74.30 N ATOM 521 CZ ARG A 53 18.941 -23.895 -21.428 1.00 54.54 C ATOM 522 NH1 ARG A 53 19.195 -22.825 -22.169 1.00 4.24 N ATOM 523 NH2 ARG A 53 19.466 -25.067 -21.761 1.00 51.20 N ATOM 0 H ARG A 53 17.306 -20.306 -15.636 1.00 22.11 H new ATOM 0 HA ARG A 53 18.531 -20.030 -18.149 1.00 72.24 H new ATOM 0 HB2 ARG A 53 18.696 -22.198 -17.498 1.00 1.53 H new ATOM 0 HB3 ARG A 53 17.247 -22.119 -16.516 1.00 1.53 H new ATOM 0 HG2 ARG A 53 16.866 -23.727 -18.262 1.00 14.45 H new ATOM 0 HG3 ARG A 53 15.865 -22.329 -18.600 1.00 14.45 H new ATOM 0 HD2 ARG A 53 16.792 -22.239 -20.649 1.00 62.30 H new ATOM 0 HD3 ARG A 53 18.298 -21.758 -19.892 1.00 62.30 H new ATOM 0 HE ARG A 53 17.986 -24.636 -19.809 1.00 74.30 H new ATOM 0 HH11 ARG A 53 18.792 -21.923 -21.917 1.00 4.24 H new ATOM 0 HH12 ARG A 53 19.793 -22.904 -22.991 1.00 4.24 H new ATOM 0 HH21 ARG A 53 19.272 -25.892 -21.194 1.00 51.20 H new ATOM 0 HH22 ARG A 53 20.064 -25.143 -22.584 1.00 51.20 H new ATOM 537 N VAL A 54 15.232 -20.008 -18.155 1.00 65.24 N ATOM 538 CA VAL A 54 14.063 -19.695 -18.967 1.00 64.33 C ATOM 539 C VAL A 54 14.290 -18.434 -19.796 1.00 21.25 C ATOM 540 O VAL A 54 13.692 -18.260 -20.857 1.00 43.33 O ATOM 541 CB VAL A 54 12.808 -19.503 -18.095 1.00 24.05 C ATOM 542 CG1 VAL A 54 12.880 -18.185 -17.338 1.00 61.42 C ATOM 543 CG2 VAL A 54 11.551 -19.570 -18.948 1.00 13.13 C ATOM 0 H VAL A 54 15.025 -20.207 -17.176 1.00 65.24 H new ATOM 0 HA VAL A 54 13.906 -20.542 -19.635 1.00 64.33 H new ATOM 0 HB VAL A 54 12.767 -20.312 -17.365 1.00 24.05 H new ATOM 0 HG11 VAL A 54 11.985 -18.067 -16.727 1.00 61.42 H new ATOM 0 HG12 VAL A 54 13.761 -18.182 -16.696 1.00 61.42 H new ATOM 0 HG13 VAL A 54 12.946 -17.361 -18.048 1.00 61.42 H new ATOM 0 HG21 VAL A 54 10.674 -19.432 -18.315 1.00 13.13 H new ATOM 0 HG22 VAL A 54 11.581 -18.784 -19.703 1.00 13.13 H new ATOM 0 HG23 VAL A 54 11.496 -20.542 -19.438 1.00 13.13 H new ATOM 553 N LYS A 55 15.158 -17.558 -19.302 1.00 41.25 N ATOM 554 CA LYS A 55 15.467 -16.313 -19.995 1.00 61.53 C ATOM 555 C LYS A 55 16.320 -16.577 -21.232 1.00 61.32 C ATOM 556 O LYS A 55 16.069 -16.020 -22.300 1.00 63.14 O ATOM 557 CB LYS A 55 16.196 -15.350 -19.057 1.00 14.42 C ATOM 558 CG LYS A 55 15.321 -14.815 -17.936 1.00 64.11 C ATOM 559 CD LYS A 55 16.046 -14.845 -16.601 1.00 2.31 C ATOM 560 CE LYS A 55 16.564 -13.467 -16.216 1.00 62.22 C ATOM 561 NZ LYS A 55 17.797 -13.551 -15.385 1.00 0.41 N ATOM 0 H LYS A 55 15.660 -17.687 -18.424 1.00 41.25 H new ATOM 0 HA LYS A 55 14.528 -15.860 -20.312 1.00 61.53 H new ATOM 0 HB2 LYS A 55 17.056 -15.860 -18.623 1.00 14.42 H new ATOM 0 HB3 LYS A 55 16.581 -14.512 -19.638 1.00 14.42 H new ATOM 0 HG2 LYS A 55 15.020 -13.793 -18.165 1.00 64.11 H new ATOM 0 HG3 LYS A 55 14.409 -15.409 -17.870 1.00 64.11 H new ATOM 0 HD2 LYS A 55 15.371 -15.210 -15.827 1.00 2.31 H new ATOM 0 HD3 LYS A 55 16.879 -15.546 -16.654 1.00 2.31 H new ATOM 0 HE2 LYS A 55 16.772 -12.892 -17.118 1.00 62.22 H new ATOM 0 HE3 LYS A 55 15.792 -12.929 -15.667 1.00 62.22 H new ATOM 0 HZ1 LYS A 55 17.814 -12.761 -14.709 1.00 0.41 H new ATOM 0 HZ2 LYS A 55 17.805 -14.452 -14.866 1.00 0.41 H new ATOM 0 HZ3 LYS A 55 18.634 -13.499 -16.000 1.00 0.41 H new ATOM 575 N GLU A 56 17.329 -17.430 -21.080 1.00 11.42 N ATOM 576 CA GLU A 56 18.217 -17.767 -22.186 1.00 23.41 C ATOM 577 C GLU A 56 17.419 -18.187 -23.416 1.00 60.34 C ATOM 578 O GLU A 56 17.811 -17.905 -24.550 1.00 72.42 O ATOM 579 CB GLU A 56 19.173 -18.889 -21.776 1.00 62.13 C ATOM 580 CG GLU A 56 20.369 -18.408 -20.972 1.00 1.00 C ATOM 581 CD GLU A 56 21.677 -18.998 -21.461 1.00 31.02 C ATOM 582 OE1 GLU A 56 21.666 -20.150 -21.943 1.00 13.02 O ATOM 583 OE2 GLU A 56 22.714 -18.308 -21.362 1.00 33.22 O ATOM 0 H GLU A 56 17.551 -17.900 -20.202 1.00 11.42 H new ATOM 0 HA GLU A 56 18.797 -16.879 -22.437 1.00 23.41 H new ATOM 0 HB2 GLU A 56 18.624 -19.626 -21.189 1.00 62.13 H new ATOM 0 HB3 GLU A 56 19.529 -19.397 -22.672 1.00 62.13 H new ATOM 0 HG2 GLU A 56 20.423 -17.321 -21.024 1.00 1.00 H new ATOM 0 HG3 GLU A 56 20.226 -18.670 -19.924 1.00 1.00 H new ATOM 590 N LEU A 57 16.299 -18.863 -23.185 1.00 42.15 N ATOM 591 CA LEU A 57 15.445 -19.323 -24.275 1.00 62.12 C ATOM 592 C LEU A 57 15.142 -18.187 -25.246 1.00 63.03 C ATOM 593 O LEU A 57 15.488 -18.255 -26.426 1.00 62.23 O ATOM 594 CB LEU A 57 14.140 -19.896 -23.719 1.00 43.32 C ATOM 595 CG LEU A 57 14.088 -21.415 -23.559 1.00 74.34 C ATOM 596 CD1 LEU A 57 15.316 -21.916 -22.814 1.00 54.12 C ATOM 597 CD2 LEU A 57 12.816 -21.832 -22.836 1.00 54.15 C ATOM 0 H LEU A 57 15.961 -19.105 -22.253 1.00 42.15 H new ATOM 0 HA LEU A 57 15.977 -20.106 -24.816 1.00 62.12 H new ATOM 0 HB2 LEU A 57 13.953 -19.442 -22.746 1.00 43.32 H new ATOM 0 HB3 LEU A 57 13.324 -19.592 -24.375 1.00 43.32 H new ATOM 0 HG LEU A 57 14.082 -21.866 -24.552 1.00 74.34 H new ATOM 0 HD11 LEU A 57 15.261 -23.000 -22.710 1.00 54.12 H new ATOM 0 HD12 LEU A 57 16.214 -21.650 -23.372 1.00 54.12 H new ATOM 0 HD13 LEU A 57 15.354 -21.458 -21.826 1.00 54.12 H new ATOM 0 HD21 LEU A 57 12.796 -22.917 -22.731 1.00 54.15 H new ATOM 0 HD22 LEU A 57 12.791 -21.371 -21.848 1.00 54.15 H new ATOM 0 HD23 LEU A 57 11.948 -21.507 -23.410 1.00 54.15 H new ATOM 609 N PHE A 58 14.495 -17.141 -24.743 1.00 23.31 N ATOM 610 CA PHE A 58 14.146 -15.989 -25.566 1.00 30.13 C ATOM 611 C PHE A 58 15.348 -15.519 -26.380 1.00 43.03 C ATOM 612 O PHE A 58 15.230 -15.232 -27.572 1.00 30.14 O ATOM 613 CB PHE A 58 13.632 -14.845 -24.688 1.00 23.00 C ATOM 614 CG PHE A 58 12.329 -15.151 -24.008 1.00 31.14 C ATOM 615 CD1 PHE A 58 11.262 -15.666 -24.726 1.00 22.55 C ATOM 616 CD2 PHE A 58 12.171 -14.924 -22.650 1.00 35.12 C ATOM 617 CE1 PHE A 58 10.061 -15.948 -24.102 1.00 32.24 C ATOM 618 CE2 PHE A 58 10.972 -15.204 -22.020 1.00 64.23 C ATOM 619 CZ PHE A 58 9.917 -15.718 -22.747 1.00 40.02 C ATOM 0 H PHE A 58 14.202 -17.067 -23.769 1.00 23.31 H new ATOM 0 HA PHE A 58 13.358 -16.291 -26.255 1.00 30.13 H new ATOM 0 HB2 PHE A 58 14.382 -14.613 -23.932 1.00 23.00 H new ATOM 0 HB3 PHE A 58 13.512 -13.952 -25.302 1.00 23.00 H new ATOM 0 HD1 PHE A 58 11.370 -15.849 -25.785 1.00 22.55 H new ATOM 0 HD2 PHE A 58 12.994 -14.524 -22.077 1.00 35.12 H new ATOM 0 HE1 PHE A 58 9.236 -16.348 -24.673 1.00 32.24 H new ATOM 0 HE2 PHE A 58 10.861 -15.021 -20.961 1.00 64.23 H new ATOM 0 HZ PHE A 58 8.980 -15.940 -22.257 1.00 40.02 H new ATOM 629 N SER A 59 16.504 -15.443 -25.729 1.00 43.52 N ATOM 630 CA SER A 59 17.726 -15.003 -26.390 1.00 44.44 C ATOM 631 C SER A 59 17.988 -15.825 -27.650 1.00 0.45 C ATOM 632 O SER A 59 18.287 -15.276 -28.711 1.00 22.52 O ATOM 633 CB SER A 59 18.917 -15.117 -25.436 1.00 65.42 C ATOM 634 OG SER A 59 20.037 -14.403 -25.930 1.00 60.34 O ATOM 0 H SER A 59 16.620 -15.681 -24.744 1.00 43.52 H new ATOM 0 HA SER A 59 17.599 -13.959 -26.677 1.00 44.44 H new ATOM 0 HB2 SER A 59 18.639 -14.731 -24.455 1.00 65.42 H new ATOM 0 HB3 SER A 59 19.181 -16.166 -25.302 1.00 65.42 H new ATOM 0 HG SER A 59 20.784 -14.490 -25.301 1.00 60.34 H new ATOM 640 N SER A 60 17.874 -17.142 -27.523 1.00 21.23 N ATOM 641 CA SER A 60 18.101 -18.042 -28.648 1.00 44.40 C ATOM 642 C SER A 60 16.889 -18.071 -29.574 1.00 1.43 C ATOM 643 O SER A 60 16.908 -18.721 -30.619 1.00 74.23 O ATOM 644 CB SER A 60 18.409 -19.454 -28.146 1.00 43.22 C ATOM 645 OG SER A 60 18.824 -20.294 -29.209 1.00 10.12 O ATOM 0 H SER A 60 17.626 -17.611 -26.652 1.00 21.23 H new ATOM 0 HA SER A 60 18.957 -17.671 -29.211 1.00 44.40 H new ATOM 0 HB2 SER A 60 19.190 -19.411 -27.386 1.00 43.22 H new ATOM 0 HB3 SER A 60 17.524 -19.875 -27.670 1.00 43.22 H new ATOM 0 HG SER A 60 18.299 -20.090 -30.011 1.00 10.12 H new ATOM 651 N LEU A 61 15.836 -17.363 -29.181 1.00 0.13 N ATOM 652 CA LEU A 61 14.613 -17.307 -29.974 1.00 20.10 C ATOM 653 C LEU A 61 14.648 -16.132 -30.946 1.00 32.04 C ATOM 654 O LEU A 61 13.627 -15.758 -31.522 1.00 33.13 O ATOM 655 CB LEU A 61 13.393 -17.191 -29.059 1.00 44.53 C ATOM 656 CG LEU A 61 12.179 -18.035 -29.449 1.00 1.24 C ATOM 657 CD1 LEU A 61 11.942 -17.968 -30.949 1.00 10.10 C ATOM 658 CD2 LEU A 61 12.367 -19.477 -29.000 1.00 0.10 C ATOM 0 H LEU A 61 15.804 -16.820 -28.318 1.00 0.13 H new ATOM 0 HA LEU A 61 14.540 -18.229 -30.550 1.00 20.10 H new ATOM 0 HB2 LEU A 61 13.694 -17.468 -28.049 1.00 44.53 H new ATOM 0 HB3 LEU A 61 13.088 -16.145 -29.025 1.00 44.53 H new ATOM 0 HG LEU A 61 11.301 -17.630 -28.946 1.00 1.24 H new ATOM 0 HD11 LEU A 61 11.074 -18.575 -31.208 1.00 10.10 H new ATOM 0 HD12 LEU A 61 11.763 -16.934 -31.243 1.00 10.10 H new ATOM 0 HD13 LEU A 61 12.819 -18.347 -31.473 1.00 10.10 H new ATOM 0 HD21 LEU A 61 11.494 -20.064 -29.285 1.00 0.10 H new ATOM 0 HD22 LEU A 61 13.255 -19.893 -29.475 1.00 0.10 H new ATOM 0 HD23 LEU A 61 12.487 -19.508 -27.917 1.00 0.10 H new ATOM 670 N GLY A 62 15.831 -15.553 -31.125 1.00 5.14 N ATOM 671 CA GLY A 62 15.979 -14.428 -32.029 1.00 13.51 C ATOM 672 C GLY A 62 15.221 -13.202 -31.558 1.00 22.33 C ATOM 673 O GLY A 62 15.087 -12.225 -32.294 1.00 13.21 O ATOM 0 H GLY A 62 16.691 -15.844 -30.659 1.00 5.14 H new ATOM 0 HA2 GLY A 62 17.036 -14.182 -32.128 1.00 13.51 H new ATOM 0 HA3 GLY A 62 15.624 -14.713 -33.019 1.00 13.51 H new ATOM 677 N VAL A 63 14.722 -13.254 -30.326 1.00 24.43 N ATOM 678 CA VAL A 63 13.974 -12.141 -29.757 1.00 54.30 C ATOM 679 C VAL A 63 14.755 -11.470 -28.633 1.00 61.10 C ATOM 680 O VAL A 63 15.727 -12.026 -28.121 1.00 2.00 O ATOM 681 CB VAL A 63 12.608 -12.602 -29.214 1.00 31.45 C ATOM 682 CG1 VAL A 63 12.743 -13.100 -27.783 1.00 3.45 C ATOM 683 CG2 VAL A 63 11.591 -11.473 -29.301 1.00 20.22 C ATOM 0 H VAL A 63 14.823 -14.056 -29.704 1.00 24.43 H new ATOM 0 HA VAL A 63 13.814 -11.424 -30.562 1.00 54.30 H new ATOM 0 HB VAL A 63 12.252 -13.429 -29.829 1.00 31.45 H new ATOM 0 HG11 VAL A 63 11.768 -13.421 -27.416 1.00 3.45 H new ATOM 0 HG12 VAL A 63 13.437 -13.940 -27.754 1.00 3.45 H new ATOM 0 HG13 VAL A 63 13.121 -12.296 -27.152 1.00 3.45 H new ATOM 0 HG21 VAL A 63 10.632 -11.816 -28.913 1.00 20.22 H new ATOM 0 HG22 VAL A 63 11.938 -10.624 -28.711 1.00 20.22 H new ATOM 0 HG23 VAL A 63 11.474 -11.168 -30.341 1.00 20.22 H new ATOM 693 N VAL A 64 14.324 -10.272 -28.253 1.00 13.53 N ATOM 694 CA VAL A 64 14.983 -9.525 -27.188 1.00 14.22 C ATOM 695 C VAL A 64 14.085 -9.410 -25.960 1.00 42.04 C ATOM 696 O VAL A 64 12.861 -9.358 -26.077 1.00 71.43 O ATOM 697 CB VAL A 64 15.377 -8.111 -27.655 1.00 71.11 C ATOM 698 CG1 VAL A 64 16.175 -7.394 -26.576 1.00 33.42 C ATOM 699 CG2 VAL A 64 16.165 -8.179 -28.955 1.00 24.35 C ATOM 0 H VAL A 64 13.521 -9.798 -28.667 1.00 13.53 H new ATOM 0 HA VAL A 64 15.885 -10.078 -26.925 1.00 14.22 H new ATOM 0 HB VAL A 64 14.466 -7.542 -27.838 1.00 71.11 H new ATOM 0 HG11 VAL A 64 16.444 -6.397 -26.925 1.00 33.42 H new ATOM 0 HG12 VAL A 64 15.572 -7.312 -25.672 1.00 33.42 H new ATOM 0 HG13 VAL A 64 17.081 -7.959 -26.358 1.00 33.42 H new ATOM 0 HG21 VAL A 64 16.435 -7.171 -29.270 1.00 24.35 H new ATOM 0 HG22 VAL A 64 17.071 -8.766 -28.801 1.00 24.35 H new ATOM 0 HG23 VAL A 64 15.555 -8.649 -29.726 1.00 24.35 H new ATOM 709 N TYR A 65 14.703 -9.372 -24.785 1.00 0.10 N ATOM 710 CA TYR A 65 13.960 -9.266 -23.535 1.00 0.03 C ATOM 711 C TYR A 65 14.770 -8.518 -22.481 1.00 45.21 C ATOM 712 O TYR A 65 15.935 -8.185 -22.699 1.00 31.54 O ATOM 713 CB TYR A 65 13.590 -10.657 -23.018 1.00 53.52 C ATOM 714 CG TYR A 65 14.787 -11.525 -22.704 1.00 65.34 C ATOM 715 CD1 TYR A 65 15.411 -12.267 -23.699 1.00 64.33 C ATOM 716 CD2 TYR A 65 15.297 -11.601 -21.414 1.00 53.23 C ATOM 717 CE1 TYR A 65 16.505 -13.063 -23.418 1.00 2.22 C ATOM 718 CE2 TYR A 65 16.391 -12.392 -21.123 1.00 20.41 C ATOM 719 CZ TYR A 65 16.992 -13.121 -22.128 1.00 51.14 C ATOM 720 OH TYR A 65 18.082 -13.911 -21.843 1.00 41.03 O ATOM 0 H TYR A 65 15.716 -9.413 -24.672 1.00 0.10 H new ATOM 0 HA TYR A 65 13.047 -8.704 -23.731 1.00 0.03 H new ATOM 0 HB2 TYR A 65 12.983 -10.551 -22.119 1.00 53.52 H new ATOM 0 HB3 TYR A 65 12.973 -11.160 -23.763 1.00 53.52 H new ATOM 0 HD1 TYR A 65 15.034 -12.221 -24.710 1.00 64.33 H new ATOM 0 HD2 TYR A 65 14.830 -11.031 -20.625 1.00 53.23 H new ATOM 0 HE1 TYR A 65 16.976 -13.636 -24.203 1.00 2.22 H new ATOM 0 HE2 TYR A 65 16.774 -12.440 -20.114 1.00 20.41 H new ATOM 0 HH TYR A 65 18.298 -13.839 -20.890 1.00 41.03 H new ATOM 730 N ASN A 66 14.146 -8.259 -21.337 1.00 0.41 N ATOM 731 CA ASN A 66 14.808 -7.550 -20.248 1.00 71.43 C ATOM 732 C ASN A 66 15.135 -8.500 -19.101 1.00 21.41 C ATOM 733 O ASN A 66 14.298 -9.305 -18.689 1.00 13.44 O ATOM 734 CB ASN A 66 13.924 -6.408 -19.742 1.00 44.45 C ATOM 735 CG ASN A 66 14.700 -5.119 -19.550 1.00 53.21 C ATOM 736 OD1 ASN A 66 15.751 -5.103 -18.910 1.00 30.30 O ATOM 737 ND2 ASN A 66 14.181 -4.028 -20.105 1.00 21.45 N ATOM 0 H ASN A 66 13.183 -8.529 -21.140 1.00 0.41 H new ATOM 0 HA ASN A 66 15.740 -7.136 -20.632 1.00 71.43 H new ATOM 0 HB2 ASN A 66 13.113 -6.239 -20.450 1.00 44.45 H new ATOM 0 HB3 ASN A 66 13.466 -6.698 -18.796 1.00 44.45 H new ATOM 0 HD21 ASN A 66 14.657 -3.131 -20.009 1.00 21.45 H new ATOM 0 HD22 ASN A 66 13.307 -4.088 -20.627 1.00 21.45 H new ATOM 744 N ILE A 67 16.357 -8.403 -18.589 1.00 2.43 N ATOM 745 CA ILE A 67 16.795 -9.252 -17.488 1.00 72.43 C ATOM 746 C ILE A 67 16.836 -8.476 -16.176 1.00 53.14 C ATOM 747 O ILE A 67 17.640 -7.559 -16.010 1.00 23.11 O ATOM 748 CB ILE A 67 18.186 -9.853 -17.759 1.00 22.41 C ATOM 749 CG1 ILE A 67 18.210 -10.544 -19.125 1.00 64.11 C ATOM 750 CG2 ILE A 67 18.564 -10.833 -16.658 1.00 61.11 C ATOM 751 CD1 ILE A 67 19.227 -9.959 -20.080 1.00 2.35 C ATOM 0 H ILE A 67 17.062 -7.744 -18.919 1.00 2.43 H new ATOM 0 HA ILE A 67 16.068 -10.060 -17.406 1.00 72.43 H new ATOM 0 HB ILE A 67 18.918 -9.046 -17.767 1.00 22.41 H new ATOM 0 HG12 ILE A 67 18.424 -11.603 -18.984 1.00 64.11 H new ATOM 0 HG13 ILE A 67 17.220 -10.476 -19.575 1.00 64.11 H new ATOM 0 HG21 ILE A 67 19.550 -11.249 -16.864 1.00 61.11 H new ATOM 0 HG22 ILE A 67 18.582 -10.314 -15.700 1.00 61.11 H new ATOM 0 HG23 ILE A 67 17.831 -11.639 -16.620 1.00 61.11 H new ATOM 0 HD11 ILE A 67 19.188 -10.497 -21.027 1.00 2.35 H new ATOM 0 HD12 ILE A 67 19.002 -8.906 -20.251 1.00 2.35 H new ATOM 0 HD13 ILE A 67 20.225 -10.051 -19.651 1.00 2.35 H new ATOM 763 N LEU A 68 15.964 -8.849 -15.247 1.00 33.01 N ATOM 764 CA LEU A 68 15.900 -8.189 -13.948 1.00 3.32 C ATOM 765 C LEU A 68 15.886 -9.212 -12.816 1.00 60.42 C ATOM 766 O LEU A 68 15.192 -10.226 -12.894 1.00 12.23 O ATOM 767 CB LEU A 68 14.657 -7.302 -13.864 1.00 11.54 C ATOM 768 CG LEU A 68 14.403 -6.388 -15.063 1.00 24.20 C ATOM 769 CD1 LEU A 68 13.224 -5.467 -14.792 1.00 1.33 C ATOM 770 CD2 LEU A 68 15.650 -5.579 -15.391 1.00 54.22 C ATOM 0 H LEU A 68 15.291 -9.606 -15.369 1.00 33.01 H new ATOM 0 HA LEU A 68 16.790 -7.568 -13.841 1.00 3.32 H new ATOM 0 HB2 LEU A 68 13.786 -7.943 -13.730 1.00 11.54 H new ATOM 0 HB3 LEU A 68 14.737 -6.683 -12.971 1.00 11.54 H new ATOM 0 HG LEU A 68 14.161 -7.010 -15.925 1.00 24.20 H new ATOM 0 HD11 LEU A 68 13.058 -4.824 -15.656 1.00 1.33 H new ATOM 0 HD12 LEU A 68 12.331 -6.064 -14.607 1.00 1.33 H new ATOM 0 HD13 LEU A 68 13.436 -4.852 -13.918 1.00 1.33 H new ATOM 0 HD21 LEU A 68 15.451 -4.934 -16.247 1.00 54.22 H new ATOM 0 HD22 LEU A 68 15.923 -4.967 -14.531 1.00 54.22 H new ATOM 0 HD23 LEU A 68 16.470 -6.256 -15.630 1.00 54.22 H new ATOM 782 N GLU A 69 16.655 -8.938 -11.767 1.00 60.43 N ATOM 783 CA GLU A 69 16.728 -9.836 -10.620 1.00 22.10 C ATOM 784 C GLU A 69 16.101 -9.194 -9.386 1.00 52.40 C ATOM 785 O GLU A 69 16.638 -8.235 -8.831 1.00 11.05 O ATOM 786 CB GLU A 69 18.184 -10.210 -10.330 1.00 35.04 C ATOM 787 CG GLU A 69 19.130 -9.022 -10.334 1.00 12.54 C ATOM 788 CD GLU A 69 19.813 -8.824 -11.673 1.00 0.21 C ATOM 789 OE1 GLU A 69 19.219 -8.162 -12.549 1.00 54.23 O ATOM 790 OE2 GLU A 69 20.941 -9.330 -11.844 1.00 73.13 O ATOM 0 H GLU A 69 17.235 -8.103 -11.688 1.00 60.43 H new ATOM 0 HA GLU A 69 16.169 -10.740 -10.862 1.00 22.10 H new ATOM 0 HB2 GLU A 69 18.237 -10.703 -9.359 1.00 35.04 H new ATOM 0 HB3 GLU A 69 18.519 -10.933 -11.073 1.00 35.04 H new ATOM 0 HG2 GLU A 69 18.575 -8.120 -10.077 1.00 12.54 H new ATOM 0 HG3 GLU A 69 19.886 -9.162 -9.562 1.00 12.54 H new ATOM 797 N LEU A 70 14.960 -9.729 -8.964 1.00 2.32 N ATOM 798 CA LEU A 70 14.258 -9.208 -7.796 1.00 72.11 C ATOM 799 C LEU A 70 15.106 -9.362 -6.537 1.00 14.13 C ATOM 800 O LEU A 70 14.834 -8.736 -5.512 1.00 72.03 O ATOM 801 CB LEU A 70 12.921 -9.930 -7.616 1.00 64.22 C ATOM 802 CG LEU A 70 12.940 -11.443 -7.845 1.00 10.22 C ATOM 803 CD1 LEU A 70 12.142 -12.156 -6.764 1.00 41.23 C ATOM 804 CD2 LEU A 70 12.393 -11.780 -9.224 1.00 43.22 C ATOM 0 H LEU A 70 14.502 -10.522 -9.413 1.00 2.32 H new ATOM 0 HA LEU A 70 14.072 -8.146 -7.958 1.00 72.11 H new ATOM 0 HB2 LEU A 70 12.561 -9.740 -6.605 1.00 64.22 H new ATOM 0 HB3 LEU A 70 12.197 -9.488 -8.300 1.00 64.22 H new ATOM 0 HG LEU A 70 13.973 -11.787 -7.792 1.00 10.22 H new ATOM 0 HD11 LEU A 70 12.166 -13.231 -6.943 1.00 41.23 H new ATOM 0 HD12 LEU A 70 12.578 -11.941 -5.788 1.00 41.23 H new ATOM 0 HD13 LEU A 70 11.109 -11.808 -6.785 1.00 41.23 H new ATOM 0 HD21 LEU A 70 12.414 -12.860 -9.370 1.00 43.22 H new ATOM 0 HD22 LEU A 70 11.366 -11.423 -9.306 1.00 43.22 H new ATOM 0 HD23 LEU A 70 13.006 -11.299 -9.986 1.00 43.22 H new ATOM 816 N ASP A 71 16.134 -10.198 -6.622 1.00 4.11 N ATOM 817 CA ASP A 71 17.025 -10.432 -5.491 1.00 71.42 C ATOM 818 C ASP A 71 18.010 -9.279 -5.327 1.00 41.31 C ATOM 819 O ASP A 71 18.793 -9.250 -4.378 1.00 60.55 O ATOM 820 CB ASP A 71 17.785 -11.746 -5.676 1.00 70.11 C ATOM 821 CG ASP A 71 18.085 -12.432 -4.358 1.00 45.33 C ATOM 822 OD1 ASP A 71 17.176 -12.504 -3.505 1.00 74.15 O ATOM 823 OD2 ASP A 71 19.232 -12.896 -4.178 1.00 54.13 O ATOM 0 H ASP A 71 16.372 -10.725 -7.462 1.00 4.11 H new ATOM 0 HA ASP A 71 16.417 -10.497 -4.589 1.00 71.42 H new ATOM 0 HB2 ASP A 71 17.199 -12.416 -6.306 1.00 70.11 H new ATOM 0 HB3 ASP A 71 18.720 -11.551 -6.202 1.00 70.11 H new ATOM 828 N GLN A 72 17.965 -8.332 -6.258 1.00 11.00 N ATOM 829 CA GLN A 72 18.855 -7.178 -6.217 1.00 52.13 C ATOM 830 C GLN A 72 18.062 -5.883 -6.080 1.00 54.13 C ATOM 831 O GLN A 72 18.594 -4.857 -5.655 1.00 23.31 O ATOM 832 CB GLN A 72 19.719 -7.129 -7.478 1.00 65.13 C ATOM 833 CG GLN A 72 20.891 -8.097 -7.451 1.00 43.51 C ATOM 834 CD GLN A 72 21.979 -7.725 -8.440 1.00 34.01 C ATOM 835 OE1 GLN A 72 21.727 -7.028 -9.424 1.00 12.24 O ATOM 836 NE2 GLN A 72 23.196 -8.190 -8.185 1.00 30.11 N ATOM 0 H GLN A 72 17.322 -8.341 -7.050 1.00 11.00 H new ATOM 0 HA GLN A 72 19.501 -7.281 -5.345 1.00 52.13 H new ATOM 0 HB2 GLN A 72 19.096 -7.350 -8.344 1.00 65.13 H new ATOM 0 HB3 GLN A 72 20.099 -6.116 -7.609 1.00 65.13 H new ATOM 0 HG2 GLN A 72 21.312 -8.123 -6.446 1.00 43.51 H new ATOM 0 HG3 GLN A 72 20.532 -9.102 -7.673 1.00 43.51 H new ATOM 0 HE21 GLN A 72 23.360 -8.764 -7.358 1.00 30.11 H new ATOM 0 HE22 GLN A 72 23.967 -7.973 -8.816 1.00 30.11 H new ATOM 845 N VAL A 73 16.784 -5.936 -6.442 1.00 30.31 N ATOM 846 CA VAL A 73 15.916 -4.768 -6.359 1.00 55.41 C ATOM 847 C VAL A 73 15.822 -4.253 -4.927 1.00 23.50 C ATOM 848 O VAL A 73 16.549 -4.710 -4.043 1.00 73.42 O ATOM 849 CB VAL A 73 14.499 -5.083 -6.872 1.00 75.33 C ATOM 850 CG1 VAL A 73 14.553 -5.633 -8.289 1.00 43.34 C ATOM 851 CG2 VAL A 73 13.799 -6.061 -5.940 1.00 2.43 C ATOM 0 H VAL A 73 16.327 -6.776 -6.796 1.00 30.31 H new ATOM 0 HA VAL A 73 16.361 -3.999 -6.991 1.00 55.41 H new ATOM 0 HB VAL A 73 13.925 -4.157 -6.888 1.00 75.33 H new ATOM 0 HG11 VAL A 73 13.542 -5.850 -8.634 1.00 43.34 H new ATOM 0 HG12 VAL A 73 15.011 -4.896 -8.948 1.00 43.34 H new ATOM 0 HG13 VAL A 73 15.145 -6.548 -8.302 1.00 43.34 H new ATOM 0 HG21 VAL A 73 12.799 -6.272 -6.319 1.00 2.43 H new ATOM 0 HG22 VAL A 73 14.371 -6.988 -5.889 1.00 2.43 H new ATOM 0 HG23 VAL A 73 13.725 -5.625 -4.944 1.00 2.43 H new ATOM 861 N ASP A 74 14.925 -3.300 -4.704 1.00 22.12 N ATOM 862 CA ASP A 74 14.735 -2.723 -3.377 1.00 24.42 C ATOM 863 C ASP A 74 13.571 -3.395 -2.655 1.00 21.25 C ATOM 864 O ASP A 74 13.673 -3.736 -1.477 1.00 33.42 O ATOM 865 CB ASP A 74 14.486 -1.218 -3.483 1.00 24.33 C ATOM 866 CG ASP A 74 15.482 -0.409 -2.674 1.00 13.21 C ATOM 867 OD1 ASP A 74 15.388 -0.427 -1.429 1.00 22.41 O ATOM 868 OD2 ASP A 74 16.354 0.241 -3.286 1.00 73.15 O ATOM 0 H ASP A 74 14.317 -2.910 -5.424 1.00 22.12 H new ATOM 0 HA ASP A 74 15.644 -2.893 -2.800 1.00 24.42 H new ATOM 0 HB2 ASP A 74 14.541 -0.916 -4.529 1.00 24.33 H new ATOM 0 HB3 ASP A 74 13.476 -0.994 -3.139 1.00 24.33 H new ATOM 873 N ASP A 75 12.466 -3.579 -3.368 1.00 74.42 N ATOM 874 CA ASP A 75 11.282 -4.209 -2.795 1.00 41.40 C ATOM 875 C ASP A 75 11.271 -5.707 -3.081 1.00 70.40 C ATOM 876 O ASP A 75 10.212 -6.328 -3.157 1.00 21.23 O ATOM 877 CB ASP A 75 10.013 -3.562 -3.353 1.00 20.00 C ATOM 878 CG ASP A 75 10.156 -2.062 -3.525 1.00 74.43 C ATOM 879 OD1 ASP A 75 10.823 -1.636 -4.492 1.00 32.35 O ATOM 880 OD2 ASP A 75 9.600 -1.315 -2.694 1.00 13.51 O ATOM 0 H ASP A 75 12.365 -3.301 -4.344 1.00 74.42 H new ATOM 0 HA ASP A 75 11.310 -4.064 -1.715 1.00 41.40 H new ATOM 0 HB2 ASP A 75 9.771 -4.014 -4.315 1.00 20.00 H new ATOM 0 HB3 ASP A 75 9.178 -3.770 -2.684 1.00 20.00 H new ATOM 885 N GLY A 76 12.460 -6.283 -3.241 1.00 51.12 N ATOM 886 CA GLY A 76 12.565 -7.703 -3.518 1.00 32.35 C ATOM 887 C GLY A 76 11.684 -8.538 -2.609 1.00 40.31 C ATOM 888 O GLY A 76 11.067 -9.507 -3.050 1.00 54.22 O ATOM 0 H GLY A 76 13.351 -5.791 -3.184 1.00 51.12 H new ATOM 0 HA2 GLY A 76 12.290 -7.889 -4.556 1.00 32.35 H new ATOM 0 HA3 GLY A 76 13.602 -8.017 -3.402 1.00 32.35 H new ATOM 892 N ALA A 77 11.627 -8.163 -1.335 1.00 51.42 N ATOM 893 CA ALA A 77 10.815 -8.883 -0.362 1.00 62.12 C ATOM 894 C ALA A 77 9.384 -9.055 -0.860 1.00 53.52 C ATOM 895 O ALA A 77 8.886 -10.175 -0.974 1.00 64.25 O ATOM 896 CB ALA A 77 10.827 -8.159 0.975 1.00 4.51 C ATOM 0 H ALA A 77 12.134 -7.364 -0.953 1.00 51.42 H new ATOM 0 HA ALA A 77 11.247 -9.875 -0.229 1.00 62.12 H new ATOM 0 HB1 ALA A 77 10.216 -8.708 1.692 1.00 4.51 H new ATOM 0 HB2 ALA A 77 11.850 -8.094 1.345 1.00 4.51 H new ATOM 0 HB3 ALA A 77 10.423 -7.155 0.849 1.00 4.51 H new ATOM 902 N SER A 78 8.728 -7.937 -1.155 1.00 75.45 N ATOM 903 CA SER A 78 7.351 -7.965 -1.637 1.00 41.21 C ATOM 904 C SER A 78 7.285 -8.508 -3.062 1.00 11.42 C ATOM 905 O SER A 78 6.392 -9.284 -3.401 1.00 40.13 O ATOM 906 CB SER A 78 6.743 -6.562 -1.586 1.00 1.14 C ATOM 907 OG SER A 78 6.543 -6.141 -0.247 1.00 32.53 O ATOM 0 H SER A 78 9.127 -7.002 -1.069 1.00 75.45 H new ATOM 0 HA SER A 78 6.778 -8.627 -0.987 1.00 41.21 H new ATOM 0 HB2 SER A 78 7.400 -5.859 -2.097 1.00 1.14 H new ATOM 0 HB3 SER A 78 5.792 -6.555 -2.119 1.00 1.14 H new ATOM 0 HG SER A 78 6.155 -5.241 -0.242 1.00 32.53 H new ATOM 913 N VAL A 79 8.236 -8.093 -3.891 1.00 61.03 N ATOM 914 CA VAL A 79 8.288 -8.537 -5.279 1.00 23.43 C ATOM 915 C VAL A 79 8.109 -10.048 -5.379 1.00 50.25 C ATOM 916 O VAL A 79 7.126 -10.530 -5.940 1.00 51.14 O ATOM 917 CB VAL A 79 9.620 -8.144 -5.945 1.00 55.34 C ATOM 918 CG1 VAL A 79 9.853 -8.971 -7.200 1.00 42.44 C ATOM 919 CG2 VAL A 79 9.636 -6.656 -6.265 1.00 74.31 C ATOM 0 H VAL A 79 8.982 -7.450 -3.626 1.00 61.03 H new ATOM 0 HA VAL A 79 7.470 -8.041 -5.801 1.00 23.43 H new ATOM 0 HB VAL A 79 10.431 -8.351 -5.247 1.00 55.34 H new ATOM 0 HG11 VAL A 79 10.799 -8.680 -7.657 1.00 42.44 H new ATOM 0 HG12 VAL A 79 9.887 -10.028 -6.938 1.00 42.44 H new ATOM 0 HG13 VAL A 79 9.040 -8.798 -7.906 1.00 42.44 H new ATOM 0 HG21 VAL A 79 10.584 -6.395 -6.735 1.00 74.31 H new ATOM 0 HG22 VAL A 79 8.817 -6.421 -6.945 1.00 74.31 H new ATOM 0 HG23 VAL A 79 9.518 -6.085 -5.344 1.00 74.31 H new ATOM 929 N GLN A 80 9.066 -10.789 -4.831 1.00 23.22 N ATOM 930 CA GLN A 80 9.014 -12.247 -4.858 1.00 52.43 C ATOM 931 C GLN A 80 7.788 -12.762 -4.114 1.00 12.31 C ATOM 932 O GLN A 80 7.312 -13.867 -4.372 1.00 11.24 O ATOM 933 CB GLN A 80 10.285 -12.835 -4.242 1.00 71.35 C ATOM 934 CG GLN A 80 10.657 -14.198 -4.804 1.00 2.22 C ATOM 935 CD GLN A 80 10.628 -15.290 -3.752 1.00 55.24 C ATOM 936 OE1 GLN A 80 11.367 -16.366 -3.996 1.00 5.32 O flip ATOM 937 NE2 GLN A 80 9.947 -15.168 -2.734 1.00 75.10 N flip ATOM 0 H GLN A 80 9.887 -10.405 -4.363 1.00 23.22 H new ATOM 0 HA GLN A 80 8.943 -12.564 -5.899 1.00 52.43 H new ATOM 0 HB2 GLN A 80 11.112 -12.145 -4.407 1.00 71.35 H new ATOM 0 HB3 GLN A 80 10.151 -12.920 -3.164 1.00 71.35 H new ATOM 0 HG2 GLN A 80 9.968 -14.455 -5.609 1.00 2.22 H new ATOM 0 HG3 GLN A 80 11.654 -14.147 -5.242 1.00 2.22 H new ATOM 0 HE21 GLN A 80 9.394 -14.323 -2.588 1.00 75.10 H new ATOM 0 HE22 GLN A 80 9.935 -15.912 -2.036 1.00 75.10 H new ATOM 946 N GLU A 81 7.281 -11.953 -3.188 1.00 54.34 N ATOM 947 CA GLU A 81 6.109 -12.329 -2.405 1.00 4.00 C ATOM 948 C GLU A 81 4.884 -12.487 -3.300 1.00 74.24 C ATOM 949 O GLU A 81 4.165 -13.483 -3.217 1.00 73.33 O ATOM 950 CB GLU A 81 5.833 -11.280 -1.324 1.00 73.25 C ATOM 951 CG GLU A 81 5.659 -11.870 0.065 1.00 22.44 C ATOM 952 CD GLU A 81 5.357 -10.816 1.112 1.00 50.22 C ATOM 953 OE1 GLU A 81 4.825 -9.748 0.743 1.00 31.24 O ATOM 954 OE2 GLU A 81 5.653 -11.059 2.301 1.00 22.41 O ATOM 0 H GLU A 81 7.663 -11.035 -2.962 1.00 54.34 H new ATOM 0 HA GLU A 81 6.314 -13.287 -1.928 1.00 4.00 H new ATOM 0 HB2 GLU A 81 6.655 -10.564 -1.305 1.00 73.25 H new ATOM 0 HB3 GLU A 81 4.933 -10.725 -1.589 1.00 73.25 H new ATOM 0 HG2 GLU A 81 4.851 -12.601 0.047 1.00 22.44 H new ATOM 0 HG3 GLU A 81 6.566 -12.405 0.345 1.00 22.44 H new ATOM 961 N VAL A 82 4.652 -11.498 -4.156 1.00 74.15 N ATOM 962 CA VAL A 82 3.514 -11.527 -5.068 1.00 21.02 C ATOM 963 C VAL A 82 3.879 -12.210 -6.381 1.00 1.41 C ATOM 964 O VAL A 82 3.007 -12.682 -7.112 1.00 25.22 O ATOM 965 CB VAL A 82 2.998 -10.106 -5.367 1.00 63.30 C ATOM 966 CG1 VAL A 82 1.528 -9.983 -4.996 1.00 71.45 C ATOM 967 CG2 VAL A 82 3.832 -9.071 -4.629 1.00 52.40 C ATOM 0 H VAL A 82 5.237 -10.666 -4.238 1.00 74.15 H new ATOM 0 HA VAL A 82 2.726 -12.095 -4.573 1.00 21.02 H new ATOM 0 HB VAL A 82 3.094 -9.920 -6.437 1.00 63.30 H new ATOM 0 HG11 VAL A 82 1.181 -8.973 -5.214 1.00 71.45 H new ATOM 0 HG12 VAL A 82 0.945 -10.700 -5.575 1.00 71.45 H new ATOM 0 HG13 VAL A 82 1.403 -10.188 -3.933 1.00 71.45 H new ATOM 0 HG21 VAL A 82 3.454 -8.073 -4.851 1.00 52.40 H new ATOM 0 HG22 VAL A 82 3.770 -9.252 -3.556 1.00 52.40 H new ATOM 0 HG23 VAL A 82 4.871 -9.145 -4.950 1.00 52.40 H new ATOM 977 N LEU A 83 5.174 -12.259 -6.676 1.00 43.31 N ATOM 978 CA LEU A 83 5.656 -12.885 -7.902 1.00 25.30 C ATOM 979 C LEU A 83 5.687 -14.404 -7.762 1.00 20.44 C ATOM 980 O LEU A 83 5.196 -15.129 -8.628 1.00 72.23 O ATOM 981 CB LEU A 83 7.053 -12.366 -8.247 1.00 71.35 C ATOM 982 CG LEU A 83 7.495 -12.548 -9.700 1.00 0.51 C ATOM 983 CD1 LEU A 83 6.450 -11.984 -10.651 1.00 1.03 C ATOM 984 CD2 LEU A 83 8.845 -11.883 -9.934 1.00 32.31 C ATOM 0 H LEU A 83 5.908 -11.873 -6.083 1.00 43.31 H new ATOM 0 HA LEU A 83 4.969 -12.626 -8.707 1.00 25.30 H new ATOM 0 HB2 LEU A 83 7.094 -11.304 -8.006 1.00 71.35 H new ATOM 0 HB3 LEU A 83 7.775 -12.868 -7.603 1.00 71.35 H new ATOM 0 HG LEU A 83 7.598 -13.615 -9.897 1.00 0.51 H new ATOM 0 HD11 LEU A 83 6.782 -12.123 -11.680 1.00 1.03 H new ATOM 0 HD12 LEU A 83 5.504 -12.504 -10.502 1.00 1.03 H new ATOM 0 HD13 LEU A 83 6.315 -10.921 -10.454 1.00 1.03 H new ATOM 0 HD21 LEU A 83 9.144 -12.022 -10.973 1.00 32.31 H new ATOM 0 HD22 LEU A 83 8.768 -10.817 -9.718 1.00 32.31 H new ATOM 0 HD23 LEU A 83 9.591 -12.333 -9.278 1.00 32.31 H new ATOM 996 N THR A 84 6.264 -14.881 -6.663 1.00 25.30 N ATOM 997 CA THR A 84 6.358 -16.312 -6.408 1.00 61.54 C ATOM 998 C THR A 84 4.980 -16.965 -6.423 1.00 12.25 C ATOM 999 O THR A 84 4.854 -18.163 -6.668 1.00 30.52 O ATOM 1000 CB THR A 84 7.035 -16.600 -5.055 1.00 63.03 C ATOM 1001 OG1 THR A 84 8.426 -16.263 -5.122 1.00 62.35 O ATOM 1002 CG2 THR A 84 6.881 -18.063 -4.672 1.00 72.40 C ATOM 0 H THR A 84 6.673 -14.296 -5.935 1.00 25.30 H new ATOM 0 HA THR A 84 6.967 -16.735 -7.207 1.00 61.54 H new ATOM 0 HB THR A 84 6.549 -15.989 -4.294 1.00 63.03 H new ATOM 0 HG1 THR A 84 8.965 -17.061 -4.939 1.00 62.35 H new ATOM 0 HG21 THR A 84 7.367 -18.241 -3.713 1.00 72.40 H new ATOM 0 HG22 THR A 84 5.822 -18.309 -4.593 1.00 72.40 H new ATOM 0 HG23 THR A 84 7.343 -18.689 -5.435 1.00 72.40 H new ATOM 1010 N GLU A 85 3.950 -16.167 -6.156 1.00 64.25 N ATOM 1011 CA GLU A 85 2.581 -16.669 -6.138 1.00 51.23 C ATOM 1012 C GLU A 85 2.026 -16.786 -7.556 1.00 23.52 C ATOM 1013 O GLU A 85 1.075 -17.529 -7.800 1.00 63.14 O ATOM 1014 CB GLU A 85 1.687 -15.747 -5.305 1.00 65.32 C ATOM 1015 CG GLU A 85 0.202 -16.000 -5.500 1.00 4.40 C ATOM 1016 CD GLU A 85 -0.177 -17.451 -5.276 1.00 55.44 C ATOM 1017 OE1 GLU A 85 0.462 -18.106 -4.426 1.00 14.44 O ATOM 1018 OE2 GLU A 85 -1.111 -17.932 -5.951 1.00 73.01 O ATOM 0 H GLU A 85 4.038 -15.172 -5.950 1.00 64.25 H new ATOM 0 HA GLU A 85 2.591 -17.661 -5.686 1.00 51.23 H new ATOM 0 HB2 GLU A 85 1.933 -15.872 -4.250 1.00 65.32 H new ATOM 0 HB3 GLU A 85 1.907 -14.711 -5.563 1.00 65.32 H new ATOM 0 HG2 GLU A 85 -0.363 -15.371 -4.813 1.00 4.40 H new ATOM 0 HG3 GLU A 85 -0.083 -15.706 -6.510 1.00 4.40 H new ATOM 1025 N ILE A 86 2.627 -16.049 -8.483 1.00 22.22 N ATOM 1026 CA ILE A 86 2.195 -16.072 -9.874 1.00 73.14 C ATOM 1027 C ILE A 86 2.400 -17.451 -10.492 1.00 31.32 C ATOM 1028 O ILE A 86 1.538 -17.956 -11.210 1.00 55.22 O ATOM 1029 CB ILE A 86 2.951 -15.028 -10.716 1.00 54.53 C ATOM 1030 CG1 ILE A 86 2.781 -13.633 -10.110 1.00 4.33 C ATOM 1031 CG2 ILE A 86 2.456 -15.049 -12.155 1.00 42.44 C ATOM 1032 CD1 ILE A 86 3.326 -12.524 -10.982 1.00 50.25 C ATOM 0 H ILE A 86 3.415 -15.428 -8.296 1.00 22.22 H new ATOM 0 HA ILE A 86 1.132 -15.830 -9.877 1.00 73.14 H new ATOM 0 HB ILE A 86 4.012 -15.279 -10.713 1.00 54.53 H new ATOM 0 HG12 ILE A 86 1.722 -13.452 -9.926 1.00 4.33 H new ATOM 0 HG13 ILE A 86 3.282 -13.603 -9.142 1.00 4.33 H new ATOM 0 HG21 ILE A 86 3.000 -14.306 -12.738 1.00 42.44 H new ATOM 0 HG22 ILE A 86 2.622 -16.038 -12.583 1.00 42.44 H new ATOM 0 HG23 ILE A 86 1.391 -14.819 -12.177 1.00 42.44 H new ATOM 0 HD11 ILE A 86 3.171 -11.564 -10.489 1.00 50.25 H new ATOM 0 HD12 ILE A 86 4.392 -12.680 -11.145 1.00 50.25 H new ATOM 0 HD13 ILE A 86 2.808 -12.527 -11.941 1.00 50.25 H new ATOM 1044 N SER A 87 3.548 -18.056 -10.206 1.00 73.11 N ATOM 1045 CA SER A 87 3.869 -19.378 -10.735 1.00 11.44 C ATOM 1046 C SER A 87 3.802 -20.433 -9.636 1.00 20.34 C ATOM 1047 O SER A 87 3.712 -21.628 -9.913 1.00 21.31 O ATOM 1048 CB SER A 87 5.260 -19.372 -11.368 1.00 65.44 C ATOM 1049 OG SER A 87 5.778 -18.056 -11.452 1.00 1.30 O ATOM 0 H SER A 87 4.272 -17.653 -9.611 1.00 73.11 H new ATOM 0 HA SER A 87 3.132 -19.626 -11.498 1.00 11.44 H new ATOM 0 HB2 SER A 87 5.934 -19.994 -10.778 1.00 65.44 H new ATOM 0 HB3 SER A 87 5.211 -19.811 -12.365 1.00 65.44 H new ATOM 0 HG SER A 87 6.494 -18.028 -12.120 1.00 1.30 H new ATOM 1055 N ASN A 88 3.847 -19.982 -8.386 1.00 53.42 N ATOM 1056 CA ASN A 88 3.792 -20.887 -7.243 1.00 51.13 C ATOM 1057 C ASN A 88 4.898 -21.934 -7.326 1.00 21.02 C ATOM 1058 O ASN A 88 4.667 -23.116 -7.073 1.00 14.13 O ATOM 1059 CB ASN A 88 2.427 -21.575 -7.176 1.00 42.42 C ATOM 1060 CG ASN A 88 1.983 -21.839 -5.751 1.00 14.03 C ATOM 1061 OD1 ASN A 88 2.534 -22.702 -5.067 1.00 54.34 O ATOM 1062 ND2 ASN A 88 0.980 -21.096 -5.296 1.00 22.11 N ATOM 0 H ASN A 88 3.921 -18.995 -8.139 1.00 53.42 H new ATOM 0 HA ASN A 88 3.939 -20.299 -6.337 1.00 51.13 H new ATOM 0 HB2 ASN A 88 1.685 -20.953 -7.676 1.00 42.42 H new ATOM 0 HB3 ASN A 88 2.471 -22.518 -7.721 1.00 42.42 H new ATOM 0 HD21 ASN A 88 0.637 -21.230 -4.345 1.00 22.11 H new ATOM 0 HD22 ASN A 88 0.553 -20.392 -5.898 1.00 22.11 H new ATOM 1069 N GLN A 89 6.100 -21.490 -7.681 1.00 63.42 N ATOM 1070 CA GLN A 89 7.242 -22.390 -7.797 1.00 14.40 C ATOM 1071 C GLN A 89 8.384 -21.939 -6.892 1.00 43.42 C ATOM 1072 O GLN A 89 8.517 -20.753 -6.586 1.00 73.21 O ATOM 1073 CB GLN A 89 7.721 -22.456 -9.248 1.00 53.20 C ATOM 1074 CG GLN A 89 7.057 -23.558 -10.058 1.00 61.11 C ATOM 1075 CD GLN A 89 6.112 -23.018 -11.113 1.00 64.24 C ATOM 1076 OE1 GLN A 89 6.583 -22.046 -11.888 1.00 55.40 O flip ATOM 1077 NE2 GLN A 89 4.973 -23.468 -11.232 1.00 24.54 N flip ATOM 0 H GLN A 89 6.308 -20.514 -7.893 1.00 63.42 H new ATOM 0 HA GLN A 89 6.923 -23.384 -7.482 1.00 14.40 H new ATOM 0 HB2 GLN A 89 7.529 -21.497 -9.729 1.00 53.20 H new ATOM 0 HB3 GLN A 89 8.800 -22.608 -9.259 1.00 53.20 H new ATOM 0 HG2 GLN A 89 7.825 -24.163 -10.539 1.00 61.11 H new ATOM 0 HG3 GLN A 89 6.507 -24.217 -9.386 1.00 61.11 H new ATOM 0 HE21 GLN A 89 4.653 -24.215 -10.615 1.00 24.54 H new ATOM 0 HE22 GLN A 89 4.349 -23.094 -11.947 1.00 24.54 H new ATOM 1086 N LYS A 90 9.206 -22.891 -6.465 1.00 62.33 N ATOM 1087 CA LYS A 90 10.338 -22.594 -5.597 1.00 12.35 C ATOM 1088 C LYS A 90 11.100 -21.371 -6.095 1.00 44.15 C ATOM 1089 O LYS A 90 11.475 -20.496 -5.312 1.00 61.33 O ATOM 1090 CB LYS A 90 11.279 -23.798 -5.519 1.00 31.30 C ATOM 1091 CG LYS A 90 11.868 -24.022 -4.137 1.00 42.11 C ATOM 1092 CD LYS A 90 12.554 -25.373 -4.035 1.00 65.42 C ATOM 1093 CE LYS A 90 12.599 -25.870 -2.599 1.00 14.24 C ATOM 1094 NZ LYS A 90 11.289 -26.432 -2.165 1.00 61.04 N ATOM 0 H LYS A 90 9.109 -23.877 -6.707 1.00 62.33 H new ATOM 0 HA LYS A 90 9.952 -22.378 -4.601 1.00 12.35 H new ATOM 0 HB2 LYS A 90 10.736 -24.693 -5.823 1.00 31.30 H new ATOM 0 HB3 LYS A 90 12.091 -23.660 -6.233 1.00 31.30 H new ATOM 0 HG2 LYS A 90 12.584 -23.232 -3.914 1.00 42.11 H new ATOM 0 HG3 LYS A 90 11.078 -23.957 -3.389 1.00 42.11 H new ATOM 0 HD2 LYS A 90 12.026 -26.098 -4.655 1.00 65.42 H new ATOM 0 HD3 LYS A 90 13.568 -25.297 -4.427 1.00 65.42 H new ATOM 0 HE2 LYS A 90 13.371 -26.633 -2.503 1.00 14.24 H new ATOM 0 HE3 LYS A 90 12.878 -25.049 -1.939 1.00 14.24 H new ATOM 0 HZ1 LYS A 90 11.216 -26.382 -1.129 1.00 61.04 H new ATOM 0 HZ2 LYS A 90 10.517 -25.883 -2.593 1.00 61.04 H new ATOM 0 HZ3 LYS A 90 11.219 -27.424 -2.470 1.00 61.04 H new ATOM 1108 N THR A 91 11.326 -21.313 -7.405 1.00 1.34 N ATOM 1109 CA THR A 91 12.043 -20.197 -8.008 1.00 64.21 C ATOM 1110 C THR A 91 11.090 -19.066 -8.377 1.00 23.44 C ATOM 1111 O THR A 91 9.904 -19.109 -8.050 1.00 55.02 O ATOM 1112 CB THR A 91 12.811 -20.638 -9.269 1.00 35.10 C ATOM 1113 OG1 THR A 91 12.248 -21.850 -9.785 1.00 44.22 O ATOM 1114 CG2 THR A 91 14.285 -20.850 -8.959 1.00 3.33 C ATOM 0 H THR A 91 11.022 -22.026 -8.068 1.00 1.34 H new ATOM 0 HA THR A 91 12.755 -19.840 -7.264 1.00 64.21 H new ATOM 0 HB THR A 91 12.723 -19.849 -10.016 1.00 35.10 H new ATOM 0 HG1 THR A 91 12.630 -22.038 -10.668 1.00 44.22 H new ATOM 0 HG21 THR A 91 14.806 -21.161 -9.864 1.00 3.33 H new ATOM 0 HG22 THR A 91 14.717 -19.919 -8.593 1.00 3.33 H new ATOM 0 HG23 THR A 91 14.389 -21.623 -8.197 1.00 3.33 H new ATOM 1122 N VAL A 92 11.616 -18.054 -9.059 1.00 44.44 N ATOM 1123 CA VAL A 92 10.811 -16.911 -9.475 1.00 15.04 C ATOM 1124 C VAL A 92 10.719 -16.827 -10.994 1.00 62.01 C ATOM 1125 O VAL A 92 11.022 -15.800 -11.602 1.00 74.43 O ATOM 1126 CB VAL A 92 11.389 -15.591 -8.931 1.00 55.34 C ATOM 1127 CG1 VAL A 92 10.311 -14.519 -8.876 1.00 33.22 C ATOM 1128 CG2 VAL A 92 12.010 -15.805 -7.559 1.00 75.24 C ATOM 0 H VAL A 92 12.596 -18.002 -9.335 1.00 44.44 H new ATOM 0 HA VAL A 92 9.813 -17.059 -9.062 1.00 15.04 H new ATOM 0 HB VAL A 92 12.172 -15.251 -9.609 1.00 55.34 H new ATOM 0 HG11 VAL A 92 10.738 -13.594 -8.489 1.00 33.22 H new ATOM 0 HG12 VAL A 92 9.918 -14.346 -9.878 1.00 33.22 H new ATOM 0 HG13 VAL A 92 9.504 -14.848 -8.221 1.00 33.22 H new ATOM 0 HG21 VAL A 92 12.413 -14.862 -7.191 1.00 75.24 H new ATOM 0 HG22 VAL A 92 11.249 -16.169 -6.868 1.00 75.24 H new ATOM 0 HG23 VAL A 92 12.813 -16.538 -7.633 1.00 75.24 H new ATOM 1138 N PRO A 93 10.291 -17.931 -11.623 1.00 30.11 N ATOM 1139 CA PRO A 93 10.148 -18.007 -13.080 1.00 30.31 C ATOM 1140 C PRO A 93 8.997 -17.149 -13.595 1.00 53.23 C ATOM 1141 O PRO A 93 7.849 -17.326 -13.190 1.00 44.25 O ATOM 1142 CB PRO A 93 9.862 -19.490 -13.331 1.00 45.32 C ATOM 1143 CG PRO A 93 9.260 -19.981 -12.061 1.00 4.15 C ATOM 1144 CD PRO A 93 9.913 -19.191 -10.961 1.00 11.15 C ATOM 0 HA PRO A 93 11.033 -17.635 -13.596 1.00 30.31 H new ATOM 0 HB2 PRO A 93 9.180 -19.625 -14.170 1.00 45.32 H new ATOM 0 HB3 PRO A 93 10.775 -20.034 -13.572 1.00 45.32 H new ATOM 0 HG2 PRO A 93 8.180 -19.834 -12.059 1.00 4.15 H new ATOM 0 HG3 PRO A 93 9.437 -21.049 -11.933 1.00 4.15 H new ATOM 0 HD2 PRO A 93 9.229 -19.019 -10.130 1.00 11.15 H new ATOM 0 HD3 PRO A 93 10.783 -19.709 -10.556 1.00 11.15 H new ATOM 1152 N ASN A 94 9.314 -16.218 -14.490 1.00 31.54 N ATOM 1153 CA ASN A 94 8.305 -15.333 -15.060 1.00 10.32 C ATOM 1154 C ASN A 94 8.469 -15.224 -16.573 1.00 32.51 C ATOM 1155 O ASN A 94 9.423 -14.621 -17.063 1.00 0.31 O ATOM 1156 CB ASN A 94 8.400 -13.943 -14.426 1.00 54.30 C ATOM 1157 CG ASN A 94 7.268 -13.674 -13.452 1.00 75.12 C ATOM 1158 OD1 ASN A 94 6.663 -12.601 -13.468 1.00 25.14 O ATOM 1159 ND2 ASN A 94 6.977 -14.650 -12.600 1.00 12.44 N ATOM 0 H ASN A 94 10.260 -16.057 -14.835 1.00 31.54 H new ATOM 0 HA ASN A 94 7.324 -15.757 -14.848 1.00 10.32 H new ATOM 0 HB2 ASN A 94 9.353 -13.848 -13.906 1.00 54.30 H new ATOM 0 HB3 ASN A 94 8.388 -13.187 -15.211 1.00 54.30 H new ATOM 0 HD21 ASN A 94 6.225 -14.528 -11.922 1.00 12.44 H new ATOM 0 HD22 ASN A 94 7.506 -15.522 -12.624 1.00 12.44 H new ATOM 1166 N ILE A 95 7.531 -15.814 -17.307 1.00 0.22 N ATOM 1167 CA ILE A 95 7.570 -15.783 -18.764 1.00 12.05 C ATOM 1168 C ILE A 95 6.266 -15.238 -19.338 1.00 22.25 C ATOM 1169 O ILE A 95 5.252 -15.935 -19.374 1.00 61.33 O ATOM 1170 CB ILE A 95 7.830 -17.183 -19.350 1.00 45.22 C ATOM 1171 CG1 ILE A 95 7.283 -18.261 -18.413 1.00 20.41 C ATOM 1172 CG2 ILE A 95 9.318 -17.388 -19.592 1.00 31.14 C ATOM 1173 CD1 ILE A 95 8.259 -18.676 -17.334 1.00 31.21 C ATOM 0 H ILE A 95 6.735 -16.319 -16.917 1.00 0.22 H new ATOM 0 HA ILE A 95 8.391 -15.123 -19.043 1.00 12.05 H new ATOM 0 HB ILE A 95 7.313 -17.263 -20.306 1.00 45.22 H new ATOM 0 HG12 ILE A 95 6.370 -17.894 -17.944 1.00 20.41 H new ATOM 0 HG13 ILE A 95 7.010 -19.137 -19.001 1.00 20.41 H new ATOM 0 HG21 ILE A 95 9.486 -18.382 -20.006 1.00 31.14 H new ATOM 0 HG22 ILE A 95 9.679 -16.637 -20.294 1.00 31.14 H new ATOM 0 HG23 ILE A 95 9.857 -17.292 -18.649 1.00 31.14 H new ATOM 0 HD11 ILE A 95 7.804 -19.443 -16.707 1.00 31.21 H new ATOM 0 HD12 ILE A 95 9.163 -19.073 -17.795 1.00 31.21 H new ATOM 0 HD13 ILE A 95 8.514 -17.811 -16.722 1.00 31.21 H new ATOM 1185 N PHE A 96 6.300 -13.988 -19.786 1.00 42.41 N ATOM 1186 CA PHE A 96 5.122 -13.349 -20.360 1.00 41.10 C ATOM 1187 C PHE A 96 5.514 -12.382 -21.473 1.00 65.31 C ATOM 1188 O PHE A 96 6.244 -11.418 -21.245 1.00 51.44 O ATOM 1189 CB PHE A 96 4.340 -12.604 -19.275 1.00 25.12 C ATOM 1190 CG PHE A 96 4.097 -13.425 -18.041 1.00 51.22 C ATOM 1191 CD1 PHE A 96 5.076 -13.543 -17.067 1.00 60.34 C ATOM 1192 CD2 PHE A 96 2.890 -14.078 -17.854 1.00 52.33 C ATOM 1193 CE1 PHE A 96 4.855 -14.299 -15.931 1.00 72.21 C ATOM 1194 CE2 PHE A 96 2.663 -14.835 -16.720 1.00 14.22 C ATOM 1195 CZ PHE A 96 3.646 -14.945 -15.757 1.00 13.35 C ATOM 0 H PHE A 96 7.131 -13.397 -19.763 1.00 42.41 H new ATOM 0 HA PHE A 96 4.489 -14.128 -20.786 1.00 41.10 H new ATOM 0 HB2 PHE A 96 4.886 -11.702 -19.000 1.00 25.12 H new ATOM 0 HB3 PHE A 96 3.381 -12.284 -19.684 1.00 25.12 H new ATOM 0 HD1 PHE A 96 6.022 -13.039 -17.197 1.00 60.34 H new ATOM 0 HD2 PHE A 96 2.117 -13.995 -18.603 1.00 52.33 H new ATOM 0 HE1 PHE A 96 5.627 -14.385 -15.180 1.00 72.21 H new ATOM 0 HE2 PHE A 96 1.718 -15.340 -16.587 1.00 14.22 H new ATOM 0 HZ PHE A 96 3.470 -15.535 -14.869 1.00 13.35 H new ATOM 1205 N VAL A 97 5.025 -12.649 -22.680 1.00 70.40 N ATOM 1206 CA VAL A 97 5.323 -11.804 -23.830 1.00 10.21 C ATOM 1207 C VAL A 97 4.053 -11.191 -24.405 1.00 54.24 C ATOM 1208 O VAL A 97 2.987 -11.806 -24.381 1.00 11.22 O ATOM 1209 CB VAL A 97 6.044 -12.597 -24.937 1.00 11.02 C ATOM 1210 CG1 VAL A 97 5.152 -13.709 -25.465 1.00 51.42 C ATOM 1211 CG2 VAL A 97 6.475 -11.668 -26.062 1.00 1.24 C ATOM 0 H VAL A 97 4.421 -13.444 -22.887 1.00 70.40 H new ATOM 0 HA VAL A 97 5.979 -11.008 -23.477 1.00 10.21 H new ATOM 0 HB VAL A 97 6.937 -13.053 -24.510 1.00 11.02 H new ATOM 0 HG11 VAL A 97 5.678 -14.258 -26.246 1.00 51.42 H new ATOM 0 HG12 VAL A 97 4.898 -14.389 -24.652 1.00 51.42 H new ATOM 0 HG13 VAL A 97 4.239 -13.279 -25.876 1.00 51.42 H new ATOM 0 HG21 VAL A 97 6.983 -12.244 -26.835 1.00 1.24 H new ATOM 0 HG22 VAL A 97 5.598 -11.182 -26.489 1.00 1.24 H new ATOM 0 HG23 VAL A 97 7.154 -10.911 -25.669 1.00 1.24 H new ATOM 1221 N ASN A 98 4.172 -9.973 -24.924 1.00 13.20 N ATOM 1222 CA ASN A 98 3.032 -9.275 -25.506 1.00 52.25 C ATOM 1223 C ASN A 98 1.811 -9.371 -24.596 1.00 44.13 C ATOM 1224 O ASN A 98 0.688 -9.558 -25.063 1.00 70.11 O ATOM 1225 CB ASN A 98 2.702 -9.854 -26.884 1.00 71.00 C ATOM 1226 CG ASN A 98 2.222 -11.290 -26.807 1.00 34.52 C ATOM 1227 OD1 ASN A 98 3.121 -12.230 -27.079 1.00 32.14 O flip ATOM 1228 ND2 ASN A 98 1.058 -11.552 -26.506 1.00 12.11 N flip ATOM 0 H ASN A 98 5.047 -9.449 -24.953 1.00 13.20 H new ATOM 0 HA ASN A 98 3.299 -8.224 -25.615 1.00 52.25 H new ATOM 0 HB2 ASN A 98 1.935 -9.242 -27.358 1.00 71.00 H new ATOM 0 HB3 ASN A 98 3.587 -9.803 -27.518 1.00 71.00 H new ATOM 0 HD21 ASN A 98 0.401 -10.798 -26.305 1.00 12.11 H new ATOM 0 HD22 ASN A 98 0.750 -12.523 -26.458 1.00 12.11 H new ATOM 1235 N LYS A 99 2.041 -9.241 -23.294 1.00 11.11 N ATOM 1236 CA LYS A 99 0.961 -9.312 -22.316 1.00 52.51 C ATOM 1237 C LYS A 99 0.266 -10.668 -22.370 1.00 32.11 C ATOM 1238 O LYS A 99 -0.960 -10.751 -22.301 1.00 75.32 O ATOM 1239 CB LYS A 99 -0.055 -8.196 -22.566 1.00 50.35 C ATOM 1240 CG LYS A 99 0.572 -6.817 -22.682 1.00 3.11 C ATOM 1241 CD LYS A 99 0.761 -6.410 -24.133 1.00 53.12 C ATOM 1242 CE LYS A 99 -0.045 -5.166 -24.473 1.00 2.32 C ATOM 1243 NZ LYS A 99 0.556 -4.407 -25.606 1.00 31.54 N ATOM 0 H LYS A 99 2.965 -9.086 -22.891 1.00 11.11 H new ATOM 0 HA LYS A 99 1.394 -9.185 -21.324 1.00 52.51 H new ATOM 0 HB2 LYS A 99 -0.604 -8.414 -23.482 1.00 50.35 H new ATOM 0 HB3 LYS A 99 -0.781 -8.188 -21.753 1.00 50.35 H new ATOM 0 HG2 LYS A 99 -0.060 -6.086 -22.178 1.00 3.11 H new ATOM 0 HG3 LYS A 99 1.536 -6.811 -22.173 1.00 3.11 H new ATOM 0 HD2 LYS A 99 1.818 -6.224 -24.325 1.00 53.12 H new ATOM 0 HD3 LYS A 99 0.458 -7.230 -24.784 1.00 53.12 H new ATOM 0 HE2 LYS A 99 -1.065 -5.453 -24.729 1.00 2.32 H new ATOM 0 HE3 LYS A 99 -0.106 -4.522 -23.596 1.00 2.32 H new ATOM 0 HZ1 LYS A 99 -0.023 -3.567 -25.807 1.00 31.54 H new ATOM 0 HZ2 LYS A 99 1.520 -4.111 -25.353 1.00 31.54 H new ATOM 0 HZ3 LYS A 99 0.591 -5.013 -26.450 1.00 31.54 H new ATOM 1257 N VAL A 100 1.057 -11.729 -22.491 1.00 62.23 N ATOM 1258 CA VAL A 100 0.517 -13.083 -22.552 1.00 12.53 C ATOM 1259 C VAL A 100 1.262 -14.014 -21.602 1.00 55.03 C ATOM 1260 O VAL A 100 2.403 -13.749 -21.223 1.00 63.44 O ATOM 1261 CB VAL A 100 0.594 -13.654 -23.980 1.00 62.34 C ATOM 1262 CG1 VAL A 100 1.877 -14.449 -24.168 1.00 44.05 C ATOM 1263 CG2 VAL A 100 -0.624 -14.515 -24.275 1.00 74.52 C ATOM 0 H VAL A 100 2.074 -11.678 -22.549 1.00 62.23 H new ATOM 0 HA VAL A 100 -0.529 -13.022 -22.250 1.00 12.53 H new ATOM 0 HB VAL A 100 0.603 -12.823 -24.685 1.00 62.34 H new ATOM 0 HG11 VAL A 100 1.914 -14.845 -25.183 1.00 44.05 H new ATOM 0 HG12 VAL A 100 2.736 -13.799 -24.000 1.00 44.05 H new ATOM 0 HG13 VAL A 100 1.902 -15.274 -23.456 1.00 44.05 H new ATOM 0 HG21 VAL A 100 -0.553 -14.910 -25.288 1.00 74.52 H new ATOM 0 HG22 VAL A 100 -0.666 -15.341 -23.565 1.00 74.52 H new ATOM 0 HG23 VAL A 100 -1.527 -13.911 -24.183 1.00 74.52 H new ATOM 1273 N HIS A 101 0.609 -15.108 -21.221 1.00 44.45 N ATOM 1274 CA HIS A 101 1.210 -16.081 -20.317 1.00 13.43 C ATOM 1275 C HIS A 101 1.805 -17.251 -21.094 1.00 5.10 C ATOM 1276 O HIS A 101 1.162 -17.812 -21.982 1.00 13.14 O ATOM 1277 CB HIS A 101 0.170 -16.592 -19.320 1.00 74.23 C ATOM 1278 CG HIS A 101 -1.091 -17.077 -19.966 1.00 55.03 C ATOM 1279 ND1 HIS A 101 -2.206 -16.282 -20.133 1.00 31.22 N ATOM 1280 CD2 HIS A 101 -1.410 -18.283 -20.491 1.00 72.34 C ATOM 1281 CE1 HIS A 101 -3.157 -16.978 -20.730 1.00 25.00 C ATOM 1282 NE2 HIS A 101 -2.698 -18.196 -20.959 1.00 74.23 N ATOM 0 H HIS A 101 -0.336 -15.342 -21.525 1.00 44.45 H new ATOM 0 HA HIS A 101 2.013 -15.585 -19.772 1.00 13.43 H new ATOM 0 HB2 HIS A 101 0.605 -17.404 -18.737 1.00 74.23 H new ATOM 0 HB3 HIS A 101 -0.074 -15.793 -18.620 1.00 74.23 H new ATOM 0 HD2 HIS A 101 -0.770 -19.152 -20.534 1.00 72.34 H new ATOM 0 HE1 HIS A 101 -4.141 -16.614 -20.987 1.00 25.00 H new ATOM 0 HE2 HIS A 101 -3.217 -18.949 -21.410 1.00 74.23 H new ATOM 1290 N VAL A 102 3.039 -17.613 -20.756 1.00 71.11 N ATOM 1291 CA VAL A 102 3.721 -18.716 -21.422 1.00 25.32 C ATOM 1292 C VAL A 102 3.787 -19.945 -20.522 1.00 2.10 C ATOM 1293 O VAL A 102 3.599 -21.072 -20.978 1.00 13.21 O ATOM 1294 CB VAL A 102 5.151 -18.322 -21.839 1.00 73.13 C ATOM 1295 CG1 VAL A 102 5.799 -19.439 -22.642 1.00 60.51 C ATOM 1296 CG2 VAL A 102 5.134 -17.024 -22.633 1.00 20.12 C ATOM 0 H VAL A 102 3.586 -17.158 -20.025 1.00 71.11 H new ATOM 0 HA VAL A 102 3.142 -18.953 -22.315 1.00 25.32 H new ATOM 0 HB VAL A 102 5.744 -18.163 -20.938 1.00 73.13 H new ATOM 0 HG11 VAL A 102 6.808 -19.143 -22.928 1.00 60.51 H new ATOM 0 HG12 VAL A 102 5.844 -20.344 -22.036 1.00 60.51 H new ATOM 0 HG13 VAL A 102 5.210 -19.632 -23.538 1.00 60.51 H new ATOM 0 HG21 VAL A 102 6.152 -16.760 -22.920 1.00 20.12 H new ATOM 0 HG22 VAL A 102 4.526 -17.153 -23.529 1.00 20.12 H new ATOM 0 HG23 VAL A 102 4.712 -16.228 -22.020 1.00 20.12 H new ATOM 1306 N GLY A 103 4.056 -19.720 -19.239 1.00 44.52 N ATOM 1307 CA GLY A 103 4.142 -20.818 -18.295 1.00 30.24 C ATOM 1308 C GLY A 103 5.545 -21.007 -17.752 1.00 35.54 C ATOM 1309 O GLY A 103 5.915 -20.404 -16.746 1.00 4.51 O ATOM 0 H GLY A 103 4.216 -18.796 -18.837 1.00 44.52 H new ATOM 0 HA2 GLY A 103 3.457 -20.636 -17.467 1.00 30.24 H new ATOM 0 HA3 GLY A 103 3.817 -21.738 -18.781 1.00 30.24 H new ATOM 1313 N GLY A 104 6.327 -21.850 -18.419 1.00 41.14 N ATOM 1314 CA GLY A 104 7.687 -22.104 -17.981 1.00 43.43 C ATOM 1315 C GLY A 104 7.801 -23.361 -17.142 1.00 43.33 C ATOM 1316 O GLY A 104 6.809 -23.840 -16.591 1.00 13.23 O ATOM 0 H GLY A 104 6.043 -22.361 -19.255 1.00 41.14 H new ATOM 0 HA2 GLY A 104 8.335 -22.193 -18.853 1.00 43.43 H new ATOM 0 HA3 GLY A 104 8.044 -21.252 -17.403 1.00 43.43 H new ATOM 1320 N CYS A 105 9.013 -23.898 -17.045 1.00 73.12 N ATOM 1321 CA CYS A 105 9.251 -25.109 -16.268 1.00 25.32 C ATOM 1322 C CYS A 105 8.548 -26.306 -16.898 1.00 25.11 C ATOM 1323 O CYS A 105 8.449 -27.372 -16.289 1.00 41.32 O ATOM 1324 CB CYS A 105 8.773 -24.920 -14.828 1.00 75.02 C ATOM 1325 SG CYS A 105 9.513 -26.070 -13.646 1.00 60.34 S ATOM 0 H CYS A 105 9.844 -23.514 -17.494 1.00 73.12 H new ATOM 0 HA CYS A 105 10.324 -25.302 -16.263 1.00 25.32 H new ATOM 0 HB2 CYS A 105 8.995 -23.900 -14.514 1.00 75.02 H new ATOM 0 HB3 CYS A 105 7.689 -25.033 -14.799 1.00 75.02 H new ATOM 0 HG CYS A 105 9.047 -25.829 -12.456 1.00 60.34 H new ATOM 1331 N ASP A 106 8.059 -26.123 -18.120 1.00 24.44 N ATOM 1332 CA ASP A 106 7.364 -27.188 -18.833 1.00 22.53 C ATOM 1333 C ASP A 106 6.786 -26.676 -20.148 1.00 11.25 C ATOM 1334 O ASP A 106 6.890 -27.336 -21.182 1.00 61.22 O ATOM 1335 CB ASP A 106 6.247 -27.769 -17.963 1.00 2.11 C ATOM 1336 CG ASP A 106 5.542 -26.707 -17.142 1.00 23.04 C ATOM 1337 OD1 ASP A 106 4.711 -25.970 -17.712 1.00 21.31 O ATOM 1338 OD2 ASP A 106 5.821 -26.614 -15.928 1.00 4.15 O ATOM 0 H ASP A 106 8.131 -25.247 -18.637 1.00 24.44 H new ATOM 0 HA ASP A 106 8.087 -27.973 -19.056 1.00 22.53 H new ATOM 0 HB2 ASP A 106 5.520 -28.274 -18.599 1.00 2.11 H new ATOM 0 HB3 ASP A 106 6.665 -28.523 -17.295 1.00 2.11 H new ATOM 1343 N ARG A 107 6.178 -25.495 -20.100 1.00 72.25 N ATOM 1344 CA ARG A 107 5.582 -24.895 -21.287 1.00 71.10 C ATOM 1345 C ARG A 107 6.636 -24.170 -22.118 1.00 43.52 C ATOM 1346 O ARG A 107 6.838 -24.478 -23.294 1.00 33.15 O ATOM 1347 CB ARG A 107 4.472 -23.920 -20.889 1.00 53.04 C ATOM 1348 CG ARG A 107 3.207 -24.065 -21.721 1.00 4.24 C ATOM 1349 CD ARG A 107 3.487 -23.863 -23.202 1.00 25.13 C ATOM 1350 NE ARG A 107 2.278 -23.990 -24.009 1.00 52.33 N ATOM 1351 CZ ARG A 107 1.358 -23.037 -24.110 1.00 0.12 C ATOM 1352 NH1 ARG A 107 1.508 -21.894 -23.457 1.00 5.25 N ATOM 1353 NH2 ARG A 107 0.284 -23.227 -24.865 1.00 61.54 N ATOM 0 H ARG A 107 6.085 -24.935 -19.252 1.00 72.25 H new ATOM 0 HA ARG A 107 5.155 -25.695 -21.892 1.00 71.10 H new ATOM 0 HB2 ARG A 107 4.225 -24.073 -19.838 1.00 53.04 H new ATOM 0 HB3 ARG A 107 4.844 -22.900 -20.984 1.00 53.04 H new ATOM 0 HG2 ARG A 107 2.778 -25.054 -21.563 1.00 4.24 H new ATOM 0 HG3 ARG A 107 2.466 -23.339 -21.388 1.00 4.24 H new ATOM 0 HD2 ARG A 107 3.924 -22.877 -23.357 1.00 25.13 H new ATOM 0 HD3 ARG A 107 4.224 -24.594 -23.535 1.00 25.13 H new ATOM 0 HE ARG A 107 2.131 -24.858 -24.524 1.00 52.33 H new ATOM 0 HH11 ARG A 107 2.332 -21.744 -22.875 1.00 5.25 H new ATOM 0 HH12 ARG A 107 0.800 -21.164 -23.537 1.00 5.25 H new ATOM 0 HH21 ARG A 107 0.164 -24.106 -25.369 1.00 61.54 H new ATOM 0 HH22 ARG A 107 -0.422 -22.494 -24.942 1.00 61.54 H new ATOM 1367 N THR A 108 7.308 -23.203 -21.499 1.00 41.05 N ATOM 1368 CA THR A 108 8.340 -22.432 -22.181 1.00 61.12 C ATOM 1369 C THR A 108 9.560 -23.295 -22.484 1.00 33.02 C ATOM 1370 O THR A 108 10.288 -23.043 -23.444 1.00 10.41 O ATOM 1371 CB THR A 108 8.781 -21.218 -21.342 1.00 32.15 C ATOM 1372 OG1 THR A 108 7.639 -20.598 -20.740 1.00 35.54 O ATOM 1373 CG2 THR A 108 9.519 -20.204 -22.203 1.00 11.02 C ATOM 0 H THR A 108 7.155 -22.936 -20.527 1.00 41.05 H new ATOM 0 HA THR A 108 7.905 -22.080 -23.116 1.00 61.12 H new ATOM 0 HB THR A 108 9.457 -21.569 -20.562 1.00 32.15 H new ATOM 0 HG1 THR A 108 7.709 -19.625 -20.831 1.00 35.54 H new ATOM 0 HG21 THR A 108 9.820 -19.356 -21.588 1.00 11.02 H new ATOM 0 HG22 THR A 108 10.404 -20.670 -22.637 1.00 11.02 H new ATOM 0 HG23 THR A 108 8.863 -19.858 -23.002 1.00 11.02 H new ATOM 1381 N PHE A 109 9.777 -24.316 -21.661 1.00 35.14 N ATOM 1382 CA PHE A 109 10.909 -25.216 -21.842 1.00 34.45 C ATOM 1383 C PHE A 109 10.652 -26.190 -22.988 1.00 41.33 C ATOM 1384 O PHE A 109 11.544 -26.471 -23.789 1.00 31.22 O ATOM 1385 CB PHE A 109 11.182 -25.992 -20.551 1.00 73.40 C ATOM 1386 CG PHE A 109 12.641 -26.250 -20.304 1.00 14.14 C ATOM 1387 CD1 PHE A 109 13.342 -27.149 -21.091 1.00 61.10 C ATOM 1388 CD2 PHE A 109 13.311 -25.592 -19.285 1.00 33.23 C ATOM 1389 CE1 PHE A 109 14.684 -27.388 -20.865 1.00 24.24 C ATOM 1390 CE2 PHE A 109 14.653 -25.827 -19.054 1.00 1.12 C ATOM 1391 CZ PHE A 109 15.341 -26.725 -19.845 1.00 70.52 C ATOM 0 H PHE A 109 9.183 -24.540 -20.862 1.00 35.14 H new ATOM 0 HA PHE A 109 11.784 -24.614 -22.089 1.00 34.45 H new ATOM 0 HB2 PHE A 109 10.772 -25.435 -19.708 1.00 73.40 H new ATOM 0 HB3 PHE A 109 10.654 -26.945 -20.591 1.00 73.40 H new ATOM 0 HD1 PHE A 109 12.834 -27.669 -21.890 1.00 61.10 H new ATOM 0 HD2 PHE A 109 12.778 -24.887 -18.664 1.00 33.23 H new ATOM 0 HE1 PHE A 109 15.219 -28.092 -21.485 1.00 24.24 H new ATOM 0 HE2 PHE A 109 15.163 -25.309 -18.255 1.00 1.12 H new ATOM 0 HZ PHE A 109 16.390 -26.909 -19.668 1.00 70.52 H new ATOM 1401 N GLN A 110 9.427 -26.700 -23.060 1.00 61.15 N ATOM 1402 CA GLN A 110 9.054 -27.643 -24.109 1.00 54.40 C ATOM 1403 C GLN A 110 8.757 -26.914 -25.416 1.00 34.33 C ATOM 1404 O GLN A 110 9.319 -27.240 -26.461 1.00 23.44 O ATOM 1405 CB GLN A 110 7.833 -28.459 -23.678 1.00 12.42 C ATOM 1406 CG GLN A 110 7.311 -29.389 -24.761 1.00 60.20 C ATOM 1407 CD GLN A 110 5.907 -29.033 -25.208 1.00 54.22 C ATOM 1408 OE1 GLN A 110 5.627 -28.949 -26.404 1.00 75.45 O ATOM 1409 NE2 GLN A 110 5.014 -28.822 -24.248 1.00 60.43 N ATOM 0 H GLN A 110 8.677 -26.477 -22.406 1.00 61.15 H new ATOM 0 HA GLN A 110 9.895 -28.317 -24.273 1.00 54.40 H new ATOM 0 HB2 GLN A 110 8.092 -29.048 -22.798 1.00 12.42 H new ATOM 0 HB3 GLN A 110 7.036 -27.777 -23.381 1.00 12.42 H new ATOM 0 HG2 GLN A 110 7.982 -29.353 -25.620 1.00 60.20 H new ATOM 0 HG3 GLN A 110 7.321 -30.414 -24.391 1.00 60.20 H new ATOM 0 HE21 GLN A 110 5.289 -28.902 -23.269 1.00 60.43 H new ATOM 0 HE22 GLN A 110 4.053 -28.580 -24.490 1.00 60.43 H new ATOM 1418 N ALA A 111 7.870 -25.927 -25.349 1.00 70.15 N ATOM 1419 CA ALA A 111 7.501 -25.151 -26.527 1.00 14.23 C ATOM 1420 C ALA A 111 8.738 -24.647 -27.262 1.00 53.34 C ATOM 1421 O ALA A 111 8.712 -24.451 -28.478 1.00 32.23 O ATOM 1422 CB ALA A 111 6.607 -23.985 -26.131 1.00 41.43 C ATOM 0 H ALA A 111 7.394 -25.646 -24.492 1.00 70.15 H new ATOM 0 HA ALA A 111 6.950 -25.803 -27.204 1.00 14.23 H new ATOM 0 HB1 ALA A 111 6.339 -23.414 -27.020 1.00 41.43 H new ATOM 0 HB2 ALA A 111 5.702 -24.365 -25.657 1.00 41.43 H new ATOM 0 HB3 ALA A 111 7.139 -23.340 -25.432 1.00 41.43 H new ATOM 1428 N HIS A 112 9.819 -24.439 -26.519 1.00 2.15 N ATOM 1429 CA HIS A 112 11.066 -23.957 -27.101 1.00 2.32 C ATOM 1430 C HIS A 112 11.626 -24.967 -28.099 1.00 54.23 C ATOM 1431 O HIS A 112 11.994 -24.608 -29.218 1.00 13.04 O ATOM 1432 CB HIS A 112 12.095 -23.685 -26.003 1.00 14.42 C ATOM 1433 CG HIS A 112 13.471 -23.409 -26.526 1.00 72.34 C ATOM 1434 ND1 HIS A 112 13.831 -22.210 -27.105 1.00 32.04 N ATOM 1435 CD2 HIS A 112 14.579 -24.186 -26.556 1.00 22.33 C ATOM 1436 CE1 HIS A 112 15.099 -22.261 -27.468 1.00 1.14 C ATOM 1437 NE2 HIS A 112 15.577 -23.450 -27.145 1.00 44.15 N ATOM 0 H HIS A 112 9.857 -24.597 -25.512 1.00 2.15 H new ATOM 0 HA HIS A 112 10.855 -23.027 -27.630 1.00 2.32 H new ATOM 0 HB2 HIS A 112 11.764 -22.833 -25.409 1.00 14.42 H new ATOM 0 HB3 HIS A 112 12.135 -24.544 -25.334 1.00 14.42 H new ATOM 0 HD2 HIS A 112 14.662 -25.197 -26.185 1.00 22.33 H new ATOM 0 HE1 HIS A 112 15.652 -21.466 -27.947 1.00 1.14 H new ATOM 0 HE2 HIS A 112 16.532 -23.769 -27.307 1.00 44.15 H new ATOM 1445 N GLN A 113 11.686 -26.229 -27.686 1.00 55.31 N ATOM 1446 CA GLN A 113 12.201 -27.288 -28.544 1.00 62.44 C ATOM 1447 C GLN A 113 11.093 -27.871 -29.416 1.00 14.24 C ATOM 1448 O GLN A 113 11.361 -28.561 -30.398 1.00 30.13 O ATOM 1449 CB GLN A 113 12.837 -28.394 -27.699 1.00 62.05 C ATOM 1450 CG GLN A 113 14.079 -27.946 -26.947 1.00 43.13 C ATOM 1451 CD GLN A 113 14.626 -29.023 -26.031 1.00 3.42 C ATOM 1452 OE1 GLN A 113 15.391 -29.888 -26.459 1.00 12.55 O ATOM 1453 NE2 GLN A 113 14.237 -28.975 -24.762 1.00 13.03 N ATOM 0 H GLN A 113 11.384 -26.542 -26.763 1.00 55.31 H new ATOM 0 HA GLN A 113 12.960 -26.856 -29.195 1.00 62.44 H new ATOM 0 HB2 GLN A 113 12.102 -28.761 -26.983 1.00 62.05 H new ATOM 0 HB3 GLN A 113 13.097 -29.231 -28.347 1.00 62.05 H new ATOM 0 HG2 GLN A 113 14.849 -27.658 -27.663 1.00 43.13 H new ATOM 0 HG3 GLN A 113 13.843 -27.059 -26.359 1.00 43.13 H new ATOM 0 HE21 GLN A 113 13.602 -28.240 -24.451 1.00 13.03 H new ATOM 0 HE22 GLN A 113 14.574 -29.673 -24.099 1.00 13.03 H new ATOM 1462 N ASN A 114 9.848 -27.589 -29.047 1.00 53.44 N ATOM 1463 CA ASN A 114 8.698 -28.086 -29.794 1.00 51.43 C ATOM 1464 C ASN A 114 8.299 -27.107 -30.893 1.00 10.40 C ATOM 1465 O ASN A 114 7.562 -27.457 -31.815 1.00 23.12 O ATOM 1466 CB ASN A 114 7.516 -28.323 -28.853 1.00 73.51 C ATOM 1467 CG ASN A 114 7.423 -29.766 -28.394 1.00 61.43 C ATOM 1468 OD1 ASN A 114 6.391 -30.417 -28.561 1.00 32.15 O ATOM 1469 ND2 ASN A 114 8.504 -30.273 -27.813 1.00 13.14 N ATOM 0 H ASN A 114 9.609 -27.019 -28.235 1.00 53.44 H new ATOM 0 HA ASN A 114 8.979 -29.031 -30.258 1.00 51.43 H new ATOM 0 HB2 ASN A 114 7.612 -27.673 -27.983 1.00 73.51 H new ATOM 0 HB3 ASN A 114 6.591 -28.045 -29.358 1.00 73.51 H new ATOM 0 HD21 ASN A 114 8.501 -31.239 -27.484 1.00 13.14 H new ATOM 0 HD22 ASN A 114 9.337 -29.697 -27.695 1.00 13.14 H new ATOM 1476 N GLY A 115 8.791 -25.875 -30.789 1.00 61.21 N ATOM 1477 CA GLY A 115 8.475 -24.864 -31.781 1.00 30.10 C ATOM 1478 C GLY A 115 7.194 -24.118 -31.461 1.00 61.51 C ATOM 1479 O GLY A 115 6.813 -23.189 -32.174 1.00 60.31 O ATOM 0 H GLY A 115 9.402 -25.560 -30.036 1.00 61.21 H new ATOM 0 HA2 GLY A 115 9.299 -24.153 -31.846 1.00 30.10 H new ATOM 0 HA3 GLY A 115 8.382 -25.336 -32.759 1.00 30.10 H new ATOM 1483 N LEU A 116 6.527 -24.527 -30.387 1.00 41.54 N ATOM 1484 CA LEU A 116 5.280 -23.891 -29.975 1.00 13.32 C ATOM 1485 C LEU A 116 5.549 -22.551 -29.297 1.00 64.24 C ATOM 1486 O LEU A 116 4.634 -21.753 -29.091 1.00 21.32 O ATOM 1487 CB LEU A 116 4.507 -24.809 -29.025 1.00 10.15 C ATOM 1488 CG LEU A 116 3.112 -24.334 -28.620 1.00 55.42 C ATOM 1489 CD1 LEU A 116 2.168 -25.516 -28.469 1.00 61.13 C ATOM 1490 CD2 LEU A 116 3.175 -23.531 -27.328 1.00 71.21 C ATOM 0 H LEU A 116 6.828 -25.295 -29.787 1.00 41.54 H new ATOM 0 HA LEU A 116 4.680 -23.712 -30.867 1.00 13.32 H new ATOM 0 HB2 LEU A 116 4.413 -25.788 -29.494 1.00 10.15 H new ATOM 0 HB3 LEU A 116 5.100 -24.944 -28.120 1.00 10.15 H new ATOM 0 HG LEU A 116 2.727 -23.687 -29.408 1.00 55.42 H new ATOM 0 HD11 LEU A 116 1.180 -25.158 -28.180 1.00 61.13 H new ATOM 0 HD12 LEU A 116 2.098 -26.049 -29.417 1.00 61.13 H new ATOM 0 HD13 LEU A 116 2.548 -26.190 -27.701 1.00 61.13 H new ATOM 0 HD21 LEU A 116 2.173 -23.201 -27.055 1.00 71.21 H new ATOM 0 HD22 LEU A 116 3.581 -24.155 -26.531 1.00 71.21 H new ATOM 0 HD23 LEU A 116 3.817 -22.662 -27.471 1.00 71.21 H new ATOM 1502 N LEU A 117 6.810 -22.309 -28.958 1.00 4.54 N ATOM 1503 CA LEU A 117 7.202 -21.064 -28.306 1.00 15.40 C ATOM 1504 C LEU A 117 7.501 -19.981 -29.337 1.00 41.20 C ATOM 1505 O LEU A 117 7.083 -18.834 -29.185 1.00 55.42 O ATOM 1506 CB LEU A 117 8.427 -21.292 -27.418 1.00 51.22 C ATOM 1507 CG LEU A 117 8.609 -20.310 -26.261 1.00 31.22 C ATOM 1508 CD1 LEU A 117 7.442 -20.407 -25.289 1.00 71.31 C ATOM 1509 CD2 LEU A 117 9.925 -20.570 -25.543 1.00 61.13 C ATOM 0 H LEU A 117 7.579 -22.958 -29.124 1.00 4.54 H new ATOM 0 HA LEU A 117 6.370 -20.730 -27.686 1.00 15.40 H new ATOM 0 HB2 LEU A 117 8.370 -22.300 -27.007 1.00 51.22 H new ATOM 0 HB3 LEU A 117 9.318 -21.253 -28.045 1.00 51.22 H new ATOM 0 HG LEU A 117 8.633 -19.299 -26.668 1.00 31.22 H new ATOM 0 HD11 LEU A 117 7.589 -19.701 -24.472 1.00 71.31 H new ATOM 0 HD12 LEU A 117 6.514 -20.171 -25.810 1.00 71.31 H new ATOM 0 HD13 LEU A 117 7.386 -21.419 -24.888 1.00 71.31 H new ATOM 0 HD21 LEU A 117 10.038 -19.862 -24.722 1.00 61.13 H new ATOM 0 HD22 LEU A 117 9.930 -21.586 -25.149 1.00 61.13 H new ATOM 0 HD23 LEU A 117 10.752 -20.449 -26.243 1.00 61.13 H new ATOM 1521 N GLN A 118 8.227 -20.354 -30.386 1.00 41.40 N ATOM 1522 CA GLN A 118 8.581 -19.414 -31.443 1.00 72.03 C ATOM 1523 C GLN A 118 7.331 -18.836 -32.098 1.00 4.10 C ATOM 1524 O GLN A 118 7.315 -17.676 -32.513 1.00 35.52 O ATOM 1525 CB GLN A 118 9.451 -20.103 -32.497 1.00 1.22 C ATOM 1526 CG GLN A 118 8.657 -20.926 -33.498 1.00 60.21 C ATOM 1527 CD GLN A 118 9.483 -22.029 -34.132 1.00 14.42 C ATOM 1528 OE1 GLN A 118 10.309 -22.659 -33.471 1.00 10.43 O ATOM 1529 NE2 GLN A 118 9.263 -22.267 -35.419 1.00 74.22 N ATOM 0 H GLN A 118 8.581 -21.300 -30.527 1.00 41.40 H new ATOM 0 HA GLN A 118 9.145 -18.597 -30.994 1.00 72.03 H new ATOM 0 HB2 GLN A 118 10.024 -19.347 -33.034 1.00 1.22 H new ATOM 0 HB3 GLN A 118 10.170 -20.751 -31.996 1.00 1.22 H new ATOM 0 HG2 GLN A 118 7.794 -21.365 -32.998 1.00 60.21 H new ATOM 0 HG3 GLN A 118 8.273 -20.270 -34.279 1.00 60.21 H new ATOM 0 HE21 GLN A 118 8.568 -21.720 -35.927 1.00 74.22 H new ATOM 0 HE22 GLN A 118 9.789 -22.997 -35.900 1.00 74.22 H new ATOM 1538 N LYS A 119 6.286 -19.650 -32.189 1.00 74.11 N ATOM 1539 CA LYS A 119 5.030 -19.220 -32.793 1.00 70.22 C ATOM 1540 C LYS A 119 4.240 -18.338 -31.834 1.00 15.54 C ATOM 1541 O LYS A 119 3.366 -17.574 -32.252 1.00 23.32 O ATOM 1542 CB LYS A 119 4.190 -20.436 -33.193 1.00 70.34 C ATOM 1543 CG LYS A 119 3.991 -21.435 -32.067 1.00 55.43 C ATOM 1544 CD LYS A 119 2.977 -22.503 -32.442 1.00 75.24 C ATOM 1545 CE LYS A 119 1.783 -22.495 -31.499 1.00 2.02 C ATOM 1546 NZ LYS A 119 0.626 -21.756 -32.076 1.00 52.11 N ATOM 0 H LYS A 119 6.283 -20.613 -31.852 1.00 74.11 H new ATOM 0 HA LYS A 119 5.265 -18.639 -33.685 1.00 70.22 H new ATOM 0 HB2 LYS A 119 3.215 -20.095 -33.541 1.00 70.34 H new ATOM 0 HB3 LYS A 119 4.670 -20.939 -34.033 1.00 70.34 H new ATOM 0 HG2 LYS A 119 4.944 -21.906 -31.824 1.00 55.43 H new ATOM 0 HG3 LYS A 119 3.656 -20.913 -31.171 1.00 55.43 H new ATOM 0 HD2 LYS A 119 2.636 -22.339 -33.464 1.00 75.24 H new ATOM 0 HD3 LYS A 119 3.454 -23.483 -32.419 1.00 75.24 H new ATOM 0 HE2 LYS A 119 1.486 -23.521 -31.280 1.00 2.02 H new ATOM 0 HE3 LYS A 119 2.071 -22.037 -30.552 1.00 2.02 H new ATOM 0 HZ1 LYS A 119 -0.167 -21.773 -31.404 1.00 52.11 H new ATOM 0 HZ2 LYS A 119 0.901 -20.770 -32.262 1.00 52.11 H new ATOM 0 HZ3 LYS A 119 0.335 -22.208 -32.966 1.00 52.11 H new ATOM 1560 N LEU A 120 4.550 -18.443 -30.546 1.00 2.20 N ATOM 1561 CA LEU A 120 3.869 -17.653 -29.527 1.00 51.41 C ATOM 1562 C LEU A 120 4.446 -16.242 -29.457 1.00 52.33 C ATOM 1563 O LEU A 120 3.708 -15.263 -29.333 1.00 42.01 O ATOM 1564 CB LEU A 120 3.988 -18.332 -28.162 1.00 31.33 C ATOM 1565 CG LEU A 120 3.304 -17.620 -26.995 1.00 44.55 C ATOM 1566 CD1 LEU A 120 4.223 -16.561 -26.404 1.00 4.41 C ATOM 1567 CD2 LEU A 120 1.991 -16.996 -27.446 1.00 25.51 C ATOM 0 H LEU A 120 5.269 -19.068 -30.183 1.00 2.20 H new ATOM 0 HA LEU A 120 2.816 -17.583 -29.800 1.00 51.41 H new ATOM 0 HB2 LEU A 120 3.573 -19.337 -28.241 1.00 31.33 H new ATOM 0 HB3 LEU A 120 5.046 -18.442 -27.924 1.00 31.33 H new ATOM 0 HG LEU A 120 3.087 -18.357 -26.222 1.00 44.55 H new ATOM 0 HD11 LEU A 120 3.720 -16.064 -25.574 1.00 4.41 H new ATOM 0 HD12 LEU A 120 5.137 -17.033 -26.044 1.00 4.41 H new ATOM 0 HD13 LEU A 120 4.471 -15.826 -27.170 1.00 4.41 H new ATOM 0 HD21 LEU A 120 1.518 -16.494 -26.602 1.00 25.51 H new ATOM 0 HD22 LEU A 120 2.185 -16.272 -28.237 1.00 25.51 H new ATOM 0 HD23 LEU A 120 1.328 -17.775 -27.822 1.00 25.51 H new ATOM 1579 N LEU A 121 5.768 -16.144 -29.539 1.00 50.11 N ATOM 1580 CA LEU A 121 6.446 -14.853 -29.487 1.00 55.52 C ATOM 1581 C LEU A 121 6.158 -14.037 -30.743 1.00 72.21 C ATOM 1582 O LEU A 121 6.222 -12.808 -30.724 1.00 53.13 O ATOM 1583 CB LEU A 121 7.953 -15.052 -29.328 1.00 40.50 C ATOM 1584 CG LEU A 121 8.402 -15.815 -28.081 1.00 51.53 C ATOM 1585 CD1 LEU A 121 9.912 -15.737 -27.922 1.00 61.20 C ATOM 1586 CD2 LEU A 121 7.704 -15.270 -26.843 1.00 22.14 C ATOM 0 H LEU A 121 6.393 -16.944 -29.642 1.00 50.11 H new ATOM 0 HA LEU A 121 6.066 -14.305 -28.625 1.00 55.52 H new ATOM 0 HB2 LEU A 121 8.324 -15.581 -30.206 1.00 40.50 H new ATOM 0 HB3 LEU A 121 8.430 -14.072 -29.321 1.00 40.50 H new ATOM 0 HG LEU A 121 8.124 -16.862 -28.199 1.00 51.53 H new ATOM 0 HD11 LEU A 121 10.213 -16.286 -27.029 1.00 61.20 H new ATOM 0 HD12 LEU A 121 10.393 -16.175 -28.796 1.00 61.20 H new ATOM 0 HD13 LEU A 121 10.214 -14.694 -27.826 1.00 61.20 H new ATOM 0 HD21 LEU A 121 8.035 -15.824 -25.965 1.00 22.14 H new ATOM 0 HD22 LEU A 121 7.951 -14.215 -26.721 1.00 22.14 H new ATOM 0 HD23 LEU A 121 6.625 -15.379 -26.956 1.00 22.14 H new ATOM 1598 N GLN A 122 5.841 -14.730 -31.833 1.00 14.41 N ATOM 1599 CA GLN A 122 5.542 -14.068 -33.098 1.00 24.00 C ATOM 1600 C GLN A 122 4.318 -13.169 -32.966 1.00 14.35 C ATOM 1601 O GLN A 122 4.317 -12.032 -33.439 1.00 63.11 O ATOM 1602 CB GLN A 122 5.311 -15.106 -34.198 1.00 71.32 C ATOM 1603 CG GLN A 122 6.596 -15.661 -34.789 1.00 23.41 C ATOM 1604 CD GLN A 122 7.251 -14.705 -35.766 1.00 11.43 C ATOM 1605 OE1 GLN A 122 8.435 -14.387 -35.643 1.00 14.42 O ATOM 1606 NE2 GLN A 122 6.483 -14.241 -36.745 1.00 31.13 N ATOM 0 H GLN A 122 5.785 -15.748 -31.865 1.00 14.41 H new ATOM 0 HA GLN A 122 6.398 -13.448 -33.366 1.00 24.00 H new ATOM 0 HB2 GLN A 122 4.722 -15.929 -33.792 1.00 71.32 H new ATOM 0 HB3 GLN A 122 4.720 -14.654 -34.994 1.00 71.32 H new ATOM 0 HG2 GLN A 122 7.295 -15.885 -33.983 1.00 23.41 H new ATOM 0 HG3 GLN A 122 6.381 -16.602 -35.296 1.00 23.41 H new ATOM 0 HE21 GLN A 122 5.507 -14.531 -36.809 1.00 31.13 H new ATOM 0 HE22 GLN A 122 6.869 -13.595 -37.433 1.00 31.13 H new ATOM 1615 N ASP A 123 3.277 -13.685 -32.321 1.00 44.21 N ATOM 1616 CA ASP A 123 2.046 -12.928 -32.127 1.00 3.44 C ATOM 1617 C ASP A 123 1.004 -13.765 -31.391 1.00 53.44 C ATOM 1618 O ASP A 123 0.489 -13.357 -30.350 1.00 62.40 O ATOM 1619 CB ASP A 123 1.488 -12.464 -33.473 1.00 64.33 C ATOM 1620 CG ASP A 123 1.253 -10.968 -33.519 1.00 63.10 C ATOM 1621 OD1 ASP A 123 0.373 -10.482 -32.777 1.00 20.01 O ATOM 1622 OD2 ASP A 123 1.949 -10.282 -34.296 1.00 53.12 O ATOM 0 H ASP A 123 3.261 -14.624 -31.924 1.00 44.21 H new ATOM 0 HA ASP A 123 2.279 -12.053 -31.520 1.00 3.44 H new ATOM 0 HB2 ASP A 123 2.181 -12.744 -34.266 1.00 64.33 H new ATOM 0 HB3 ASP A 123 0.550 -12.982 -33.672 1.00 64.33 H new ATOM 1627 N ASP A 124 0.697 -14.935 -31.941 1.00 41.23 N ATOM 1628 CA ASP A 124 -0.284 -15.829 -31.337 1.00 72.32 C ATOM 1629 C ASP A 124 -1.668 -15.189 -31.327 1.00 13.53 C ATOM 1630 O ASP A 124 -2.149 -14.744 -30.283 1.00 24.02 O ATOM 1631 CB ASP A 124 0.135 -16.193 -29.913 1.00 1.44 C ATOM 1632 CG ASP A 124 -0.657 -17.360 -29.356 1.00 43.15 C ATOM 1633 OD1 ASP A 124 -0.912 -18.319 -30.114 1.00 62.15 O ATOM 1634 OD2 ASP A 124 -1.021 -17.314 -28.162 1.00 51.13 O ATOM 0 H ASP A 124 1.113 -15.286 -32.804 1.00 41.23 H new ATOM 0 HA ASP A 124 -0.329 -16.738 -31.937 1.00 72.32 H new ATOM 0 HB2 ASP A 124 1.197 -16.440 -29.902 1.00 1.44 H new ATOM 0 HB3 ASP A 124 0.003 -15.326 -29.266 1.00 1.44 H new TER 1639 ASP A 124