USER MOD reduce.3.24.130724 H: found=0, std=0, add=1069, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1069 hydrogens (27 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 109 ASN : amide:sc= 0.276 K(o=0.6,f=-0.43) USER MOD Set 1.2: A 112 LYS NZ :NH3+ -140:sc= 0.326 (180deg=0.282) USER MOD Set 2.1: A 29 TYR OH : rot 80:sc= 0.576 USER MOD Set 2.2: A 97 THR OG1 : rot -124:sc= 0.807 USER MOD Set 3.1: A 65 GLN : amide:sc= -1.02 K(o=-2,f=-2.6) USER MOD Set 3.2: A 108 GLN : amide:sc= -1.02 K(o=-2,f=-4.7!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.59) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.939 K(o=0.94,f=-5.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 53 THR OG1 : rot -24:sc= 0.89 USER MOD Single : A 54 SER OG : rot -48:sc= -0.534 USER MOD Single : A 57 CYS SG : rot 180:sc= 0.0251 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.4!) USER MOD Single : A 67 SER OG : rot 91:sc= 0.436 USER MOD Single : A 69 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.089) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 72 SER OG : rot 133:sc= 0.139 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.766 USER MOD Single : A 80 ASN : amide:sc= -0.0989 K(o=-0.099,f=-1.2) USER MOD Single : A 81 THR OG1 : rot 77:sc= 0.7 USER MOD Single : A 86 TYR OH : rot 165:sc= 0.102 USER MOD Single : A 87 CYS SG : rot -58:sc= -1.23 USER MOD Single : A 89 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 90 GLN : amide:sc= -1.73 K(o=-1.7,f=-4.4!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 117 GLN : amide:sc= -1.35 K(o=-1.3,f=-4.2) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 125 ASN : amide:sc= 0.025 K(o=0.025,f=-4.9!) USER MOD Single : A 126 SER OG : rot 180:sc= 0.048 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 10.061 10.306 -3.590 1.00 14.43 N ATOM 2 CA GLY A 2 9.492 11.607 -3.894 1.00 53.20 C ATOM 3 C GLY A 2 8.598 11.577 -5.117 1.00 11.51 C ATOM 4 O GLY A 2 8.092 12.612 -5.550 1.00 74.20 O ATOM 0 HA2 GLY A 2 8.918 11.958 -3.037 1.00 53.20 H new ATOM 0 HA3 GLY A 2 10.297 12.324 -4.054 1.00 53.20 H new ATOM 8 N ALA A 3 8.404 10.388 -5.678 1.00 35.43 N ATOM 9 CA ALA A 3 7.564 10.227 -6.858 1.00 44.45 C ATOM 10 C ALA A 3 6.140 9.847 -6.472 1.00 32.12 C ATOM 11 O ALA A 3 5.907 9.283 -5.403 1.00 15.33 O ATOM 12 CB ALA A 3 8.158 9.181 -7.790 1.00 21.24 C ATOM 0 H ALA A 3 8.818 9.522 -5.334 1.00 35.43 H new ATOM 0 HA ALA A 3 7.527 11.183 -7.380 1.00 44.45 H new ATOM 0 HB1 ALA A 3 7.520 9.071 -8.667 1.00 21.24 H new ATOM 0 HB2 ALA A 3 9.154 9.496 -8.102 1.00 21.24 H new ATOM 0 HB3 ALA A 3 8.226 8.226 -7.269 1.00 21.24 H new ATOM 18 N ARG A 4 5.190 10.158 -7.347 1.00 41.53 N ATOM 19 CA ARG A 4 3.788 9.850 -7.096 1.00 55.31 C ATOM 20 C ARG A 4 3.561 8.343 -7.055 1.00 25.42 C ATOM 21 O ARG A 4 3.285 7.775 -5.998 1.00 31.11 O ATOM 22 CB ARG A 4 2.904 10.480 -8.174 1.00 74.43 C ATOM 23 CG ARG A 4 2.507 11.917 -7.875 1.00 33.41 C ATOM 24 CD ARG A 4 3.067 12.877 -8.913 1.00 1.04 C ATOM 25 NE ARG A 4 3.508 14.134 -8.313 1.00 62.21 N ATOM 26 CZ ARG A 4 2.676 15.085 -7.903 1.00 72.31 C ATOM 27 NH1 ARG A 4 1.365 14.922 -8.028 1.00 1.14 N ATOM 28 NH2 ARG A 4 3.153 16.200 -7.367 1.00 42.05 N ATOM 0 H ARG A 4 5.366 10.624 -8.237 1.00 41.53 H new ATOM 0 HA ARG A 4 3.519 10.267 -6.125 1.00 55.31 H new ATOM 0 HB2 ARG A 4 3.431 10.449 -9.128 1.00 74.43 H new ATOM 0 HB3 ARG A 4 2.002 9.879 -8.289 1.00 74.43 H new ATOM 0 HG2 ARG A 4 1.420 11.998 -7.852 1.00 33.41 H new ATOM 0 HG3 ARG A 4 2.869 12.197 -6.886 1.00 33.41 H new ATOM 0 HD2 ARG A 4 3.905 12.407 -9.427 1.00 1.04 H new ATOM 0 HD3 ARG A 4 2.306 13.082 -9.666 1.00 1.04 H new ATOM 0 HE ARG A 4 4.510 14.290 -8.203 1.00 62.21 H new ATOM 0 HH11 ARG A 4 0.995 14.065 -8.439 1.00 1.14 H new ATOM 0 HH12 ARG A 4 0.728 15.653 -7.713 1.00 1.14 H new ATOM 0 HH21 ARG A 4 4.160 16.329 -7.269 1.00 42.05 H new ATOM 0 HH22 ARG A 4 2.513 16.929 -7.053 1.00 42.05 H new ATOM 42 N ALA A 5 3.680 7.699 -8.212 1.00 10.14 N ATOM 43 CA ALA A 5 3.491 6.257 -8.307 1.00 34.33 C ATOM 44 C ALA A 5 4.680 5.590 -8.990 1.00 2.41 C ATOM 45 O ALA A 5 5.373 6.211 -9.795 1.00 5.44 O ATOM 46 CB ALA A 5 2.204 5.943 -9.056 1.00 64.14 C ATOM 0 H ALA A 5 3.906 8.154 -9.096 1.00 10.14 H new ATOM 0 HA ALA A 5 3.417 5.857 -7.296 1.00 34.33 H new ATOM 0 HB1 ALA A 5 2.075 4.863 -9.120 1.00 64.14 H new ATOM 0 HB2 ALA A 5 1.358 6.379 -8.524 1.00 64.14 H new ATOM 0 HB3 ALA A 5 2.256 6.362 -10.061 1.00 64.14 H new ATOM 52 N SER A 6 4.910 4.323 -8.663 1.00 52.30 N ATOM 53 CA SER A 6 6.019 3.574 -9.242 1.00 24.42 C ATOM 54 C SER A 6 7.335 4.325 -9.062 1.00 40.42 C ATOM 55 O SER A 6 7.759 5.077 -9.941 1.00 71.31 O ATOM 56 CB SER A 6 5.766 3.313 -10.728 1.00 1.11 C ATOM 57 OG SER A 6 6.571 2.249 -11.204 1.00 23.34 O ATOM 0 H SER A 6 4.344 3.793 -8.000 1.00 52.30 H new ATOM 0 HA SER A 6 6.092 2.620 -8.721 1.00 24.42 H new ATOM 0 HB2 SER A 6 4.714 3.075 -10.884 1.00 1.11 H new ATOM 0 HB3 SER A 6 5.977 4.217 -11.300 1.00 1.11 H new ATOM 0 HG SER A 6 6.389 2.102 -12.156 1.00 23.34 H new ATOM 63 N VAL A 7 7.977 4.116 -7.918 1.00 3.44 N ATOM 64 CA VAL A 7 9.245 4.773 -7.622 1.00 60.42 C ATOM 65 C VAL A 7 10.423 3.858 -7.936 1.00 65.42 C ATOM 66 O VAL A 7 11.177 4.101 -8.879 1.00 32.23 O ATOM 67 CB VAL A 7 9.324 5.202 -6.145 1.00 12.53 C ATOM 68 CG1 VAL A 7 10.573 6.033 -5.896 1.00 23.14 C ATOM 69 CG2 VAL A 7 8.074 5.973 -5.747 1.00 63.34 C ATOM 0 H VAL A 7 7.640 3.497 -7.180 1.00 3.44 H new ATOM 0 HA VAL A 7 9.297 5.660 -8.254 1.00 60.42 H new ATOM 0 HB VAL A 7 9.384 4.306 -5.527 1.00 12.53 H new ATOM 0 HG11 VAL A 7 10.611 6.327 -4.847 1.00 23.14 H new ATOM 0 HG12 VAL A 7 11.457 5.444 -6.140 1.00 23.14 H new ATOM 0 HG13 VAL A 7 10.547 6.925 -6.522 1.00 23.14 H new ATOM 0 HG21 VAL A 7 8.147 6.268 -4.700 1.00 63.34 H new ATOM 0 HG22 VAL A 7 7.982 6.863 -6.370 1.00 63.34 H new ATOM 0 HG23 VAL A 7 7.197 5.341 -5.886 1.00 63.34 H new ATOM 79 N ALA A 8 10.576 2.804 -7.142 1.00 32.44 N ATOM 80 CA ALA A 8 11.662 1.850 -7.337 1.00 41.44 C ATOM 81 C ALA A 8 11.584 1.205 -8.717 1.00 23.00 C ATOM 82 O ALA A 8 12.599 1.043 -9.394 1.00 63.22 O ATOM 83 CB ALA A 8 11.629 0.784 -6.252 1.00 24.21 C ATOM 0 H ALA A 8 9.962 2.588 -6.357 1.00 32.44 H new ATOM 0 HA ALA A 8 12.605 2.392 -7.270 1.00 41.44 H new ATOM 0 HB1 ALA A 8 12.445 0.079 -6.410 1.00 24.21 H new ATOM 0 HB2 ALA A 8 11.741 1.255 -5.275 1.00 24.21 H new ATOM 0 HB3 ALA A 8 10.678 0.253 -6.292 1.00 24.21 H new ATOM 89 N SER A 9 10.374 0.839 -9.127 1.00 41.32 N ATOM 90 CA SER A 9 10.165 0.207 -10.425 1.00 51.52 C ATOM 91 C SER A 9 10.786 -1.186 -10.458 1.00 30.05 C ATOM 92 O SER A 9 11.662 -1.468 -11.272 1.00 63.13 O ATOM 93 CB SER A 9 10.763 1.071 -11.538 1.00 62.52 C ATOM 94 OG SER A 9 10.089 0.859 -12.766 1.00 74.23 O ATOM 0 H SER A 9 9.523 0.969 -8.579 1.00 41.32 H new ATOM 0 HA SER A 9 9.091 0.110 -10.586 1.00 51.52 H new ATOM 0 HB2 SER A 9 10.698 2.123 -11.261 1.00 62.52 H new ATOM 0 HB3 SER A 9 11.821 0.837 -11.655 1.00 62.52 H new ATOM 0 HG SER A 9 10.489 1.423 -13.460 1.00 74.23 H new ATOM 100 N GLY A 10 10.323 -2.054 -9.563 1.00 10.31 N ATOM 101 CA GLY A 10 10.842 -3.407 -9.505 1.00 24.43 C ATOM 102 C GLY A 10 11.176 -3.840 -8.091 1.00 15.25 C ATOM 103 O GLY A 10 10.886 -4.969 -7.694 1.00 53.41 O ATOM 0 H GLY A 10 9.598 -1.844 -8.877 1.00 10.31 H new ATOM 0 HA2 GLY A 10 10.108 -4.093 -9.928 1.00 24.43 H new ATOM 0 HA3 GLY A 10 11.737 -3.476 -10.124 1.00 24.43 H new ATOM 107 N GLY A 11 11.788 -2.941 -7.326 1.00 43.23 N ATOM 108 CA GLY A 11 12.153 -3.256 -5.958 1.00 22.34 C ATOM 109 C GLY A 11 10.958 -3.259 -5.025 1.00 32.20 C ATOM 110 O GLY A 11 10.418 -4.317 -4.702 1.00 53.14 O ATOM 0 H GLY A 11 12.037 -2.000 -7.630 1.00 43.23 H new ATOM 0 HA2 GLY A 11 12.635 -4.233 -5.930 1.00 22.34 H new ATOM 0 HA3 GLY A 11 12.885 -2.530 -5.604 1.00 22.34 H new ATOM 114 N GLU A 12 10.544 -2.074 -4.591 1.00 43.50 N ATOM 115 CA GLU A 12 9.406 -1.945 -3.688 1.00 62.44 C ATOM 116 C GLU A 12 8.148 -2.543 -4.311 1.00 20.43 C ATOM 117 O GLU A 12 7.224 -2.950 -3.604 1.00 45.22 O ATOM 118 CB GLU A 12 9.166 -0.475 -3.339 1.00 51.54 C ATOM 119 CG GLU A 12 10.223 0.113 -2.419 1.00 71.23 C ATOM 120 CD GLU A 12 10.730 1.458 -2.898 1.00 43.32 C ATOM 121 OE1 GLU A 12 9.985 2.149 -3.624 1.00 50.42 O ATOM 122 OE2 GLU A 12 11.873 1.822 -2.547 1.00 71.03 O ATOM 0 H GLU A 12 10.979 -1.189 -4.850 1.00 43.50 H new ATOM 0 HA GLU A 12 9.636 -2.494 -2.775 1.00 62.44 H new ATOM 0 HB2 GLU A 12 9.133 0.108 -4.260 1.00 51.54 H new ATOM 0 HB3 GLU A 12 8.189 -0.378 -2.865 1.00 51.54 H new ATOM 0 HG2 GLU A 12 9.808 0.221 -1.417 1.00 71.23 H new ATOM 0 HG3 GLU A 12 11.060 -0.581 -2.344 1.00 71.23 H new ATOM 129 N LEU A 13 8.117 -2.593 -5.638 1.00 64.11 N ATOM 130 CA LEU A 13 6.973 -3.141 -6.358 1.00 13.41 C ATOM 131 C LEU A 13 6.857 -4.644 -6.132 1.00 31.24 C ATOM 132 O LEU A 13 5.760 -5.171 -5.944 1.00 33.15 O ATOM 133 CB LEU A 13 7.098 -2.846 -7.854 1.00 20.24 C ATOM 134 CG LEU A 13 5.935 -2.080 -8.486 1.00 31.14 C ATOM 135 CD1 LEU A 13 5.623 -0.826 -7.684 1.00 74.20 C ATOM 136 CD2 LEU A 13 6.254 -1.726 -9.931 1.00 75.43 C ATOM 0 H LEU A 13 8.872 -2.260 -6.238 1.00 64.11 H new ATOM 0 HA LEU A 13 6.071 -2.664 -5.974 1.00 13.41 H new ATOM 0 HB2 LEU A 13 8.013 -2.277 -8.017 1.00 20.24 H new ATOM 0 HB3 LEU A 13 7.213 -3.792 -8.382 1.00 20.24 H new ATOM 0 HG LEU A 13 5.053 -2.721 -8.476 1.00 31.14 H new ATOM 0 HD11 LEU A 13 4.793 -0.294 -8.149 1.00 74.20 H new ATOM 0 HD12 LEU A 13 5.351 -1.104 -6.666 1.00 74.20 H new ATOM 0 HD13 LEU A 13 6.501 -0.180 -7.662 1.00 74.20 H new ATOM 0 HD21 LEU A 13 5.416 -1.181 -10.366 1.00 75.43 H new ATOM 0 HD22 LEU A 13 7.148 -1.103 -9.964 1.00 75.43 H new ATOM 0 HD23 LEU A 13 6.427 -2.640 -10.500 1.00 75.43 H new ATOM 148 N ASP A 14 7.994 -5.330 -6.149 1.00 43.24 N ATOM 149 CA ASP A 14 8.021 -6.773 -5.943 1.00 52.01 C ATOM 150 C ASP A 14 7.312 -7.150 -4.646 1.00 54.20 C ATOM 151 O ASP A 14 6.581 -8.139 -4.589 1.00 72.03 O ATOM 152 CB ASP A 14 9.464 -7.280 -5.916 1.00 60.30 C ATOM 153 CG ASP A 14 9.738 -8.303 -7.000 1.00 22.43 C ATOM 154 OD1 ASP A 14 8.853 -9.147 -7.259 1.00 2.25 O ATOM 155 OD2 ASP A 14 10.838 -8.262 -7.591 1.00 14.13 O ATOM 0 H ASP A 14 8.910 -4.909 -6.304 1.00 43.24 H new ATOM 0 HA ASP A 14 7.495 -7.243 -6.774 1.00 52.01 H new ATOM 0 HB2 ASP A 14 10.145 -6.437 -6.036 1.00 60.30 H new ATOM 0 HB3 ASP A 14 9.673 -7.722 -4.942 1.00 60.30 H new ATOM 160 N LYS A 15 7.533 -6.355 -3.605 1.00 61.20 N ATOM 161 CA LYS A 15 6.917 -6.604 -2.307 1.00 71.03 C ATOM 162 C LYS A 15 5.433 -6.250 -2.333 1.00 70.45 C ATOM 163 O LYS A 15 4.594 -7.021 -1.864 1.00 13.32 O ATOM 164 CB LYS A 15 7.625 -5.794 -1.219 1.00 2.41 C ATOM 165 CG LYS A 15 8.755 -6.546 -0.539 1.00 62.02 C ATOM 166 CD LYS A 15 8.257 -7.339 0.659 1.00 54.43 C ATOM 167 CE LYS A 15 9.352 -7.528 1.697 1.00 61.14 C ATOM 168 NZ LYS A 15 10.056 -8.830 1.528 1.00 71.10 N ATOM 0 H LYS A 15 8.135 -5.532 -3.635 1.00 61.20 H new ATOM 0 HA LYS A 15 7.017 -7.666 -2.084 1.00 71.03 H new ATOM 0 HB2 LYS A 15 8.022 -4.879 -1.659 1.00 2.41 H new ATOM 0 HB3 LYS A 15 6.895 -5.495 -0.467 1.00 2.41 H new ATOM 0 HG2 LYS A 15 9.225 -7.222 -1.254 1.00 62.02 H new ATOM 0 HG3 LYS A 15 9.520 -5.840 -0.216 1.00 62.02 H new ATOM 0 HD2 LYS A 15 7.410 -6.823 1.112 1.00 54.43 H new ATOM 0 HD3 LYS A 15 7.897 -8.313 0.328 1.00 54.43 H new ATOM 0 HE2 LYS A 15 10.072 -6.713 1.619 1.00 61.14 H new ATOM 0 HE3 LYS A 15 8.919 -7.476 2.696 1.00 61.14 H new ATOM 0 HZ1 LYS A 15 10.795 -8.922 2.254 1.00 71.10 H new ATOM 0 HZ2 LYS A 15 9.374 -9.609 1.628 1.00 71.10 H new ATOM 0 HZ3 LYS A 15 10.491 -8.869 0.584 1.00 71.10 H new ATOM 182 N TRP A 16 5.117 -5.085 -2.886 1.00 34.21 N ATOM 183 CA TRP A 16 3.733 -4.632 -2.974 1.00 41.15 C ATOM 184 C TRP A 16 2.863 -5.673 -3.670 1.00 33.43 C ATOM 185 O TRP A 16 1.877 -6.148 -3.105 1.00 45.32 O ATOM 186 CB TRP A 16 3.657 -3.302 -3.725 1.00 45.52 C ATOM 187 CG TRP A 16 2.260 -2.783 -3.876 1.00 62.00 C ATOM 188 CD1 TRP A 16 1.573 -2.605 -5.042 1.00 55.24 C ATOM 189 CD2 TRP A 16 1.380 -2.373 -2.824 1.00 33.53 C ATOM 190 NE1 TRP A 16 0.319 -2.110 -4.779 1.00 51.41 N ATOM 191 CE2 TRP A 16 0.175 -1.960 -3.425 1.00 11.32 C ATOM 192 CE3 TRP A 16 1.491 -2.319 -1.431 1.00 52.45 C ATOM 193 CZ2 TRP A 16 -0.907 -1.497 -2.682 1.00 4.44 C ATOM 194 CZ3 TRP A 16 0.416 -1.859 -0.695 1.00 11.41 C ATOM 195 CH2 TRP A 16 -0.771 -1.454 -1.321 1.00 4.52 C ATOM 0 H TRP A 16 5.799 -4.437 -3.280 1.00 34.21 H new ATOM 0 HA TRP A 16 3.358 -4.491 -1.960 1.00 41.15 H new ATOM 0 HB2 TRP A 16 4.257 -2.561 -3.197 1.00 45.52 H new ATOM 0 HB3 TRP A 16 4.100 -3.426 -4.713 1.00 45.52 H new ATOM 0 HD1 TRP A 16 1.959 -2.822 -6.027 1.00 55.24 H new ATOM 0 HE1 TRP A 16 -0.390 -1.890 -5.478 1.00 51.41 H new ATOM 0 HE3 TRP A 16 2.401 -2.631 -0.939 1.00 52.45 H new ATOM 0 HZ2 TRP A 16 -1.822 -1.183 -3.163 1.00 4.44 H new ATOM 0 HZ3 TRP A 16 0.492 -1.811 0.381 1.00 11.41 H new ATOM 0 HH2 TRP A 16 -1.594 -1.101 -0.717 1.00 4.52 H new ATOM 206 N GLU A 17 3.233 -6.024 -4.897 1.00 42.33 N ATOM 207 CA GLU A 17 2.485 -7.009 -5.668 1.00 53.42 C ATOM 208 C GLU A 17 2.686 -8.411 -5.102 1.00 32.45 C ATOM 209 O GLU A 17 2.129 -9.385 -5.610 1.00 24.05 O ATOM 210 CB GLU A 17 2.914 -6.974 -7.136 1.00 44.05 C ATOM 211 CG GLU A 17 2.581 -5.667 -7.837 1.00 71.41 C ATOM 212 CD GLU A 17 2.016 -5.879 -9.228 1.00 71.34 C ATOM 213 OE1 GLU A 17 0.880 -6.386 -9.337 1.00 62.22 O ATOM 214 OE2 GLU A 17 2.710 -5.536 -10.208 1.00 61.24 O ATOM 0 H GLU A 17 4.046 -5.641 -5.378 1.00 42.33 H new ATOM 0 HA GLU A 17 1.427 -6.757 -5.600 1.00 53.42 H new ATOM 0 HB2 GLU A 17 3.989 -7.145 -7.196 1.00 44.05 H new ATOM 0 HB3 GLU A 17 2.431 -7.794 -7.667 1.00 44.05 H new ATOM 0 HG2 GLU A 17 1.861 -5.111 -7.237 1.00 71.41 H new ATOM 0 HG3 GLU A 17 3.481 -5.055 -7.904 1.00 71.41 H new ATOM 221 N LYS A 18 3.486 -8.506 -4.044 1.00 54.14 N ATOM 222 CA LYS A 18 3.761 -9.788 -3.407 1.00 64.21 C ATOM 223 C LYS A 18 2.531 -10.303 -2.667 1.00 63.41 C ATOM 224 O LYS A 18 1.951 -11.323 -3.043 1.00 2.42 O ATOM 225 CB LYS A 18 4.936 -9.654 -2.434 1.00 65.13 C ATOM 226 CG LYS A 18 5.776 -10.915 -2.317 1.00 53.41 C ATOM 227 CD LYS A 18 5.761 -11.466 -0.902 1.00 12.33 C ATOM 228 CE LYS A 18 6.127 -12.941 -0.873 1.00 24.20 C ATOM 229 NZ LYS A 18 6.262 -13.453 0.518 1.00 12.15 N ATOM 0 H LYS A 18 3.955 -7.710 -3.611 1.00 54.14 H new ATOM 0 HA LYS A 18 4.021 -10.505 -4.186 1.00 64.21 H new ATOM 0 HB2 LYS A 18 5.574 -8.832 -2.758 1.00 65.13 H new ATOM 0 HB3 LYS A 18 4.552 -9.390 -1.448 1.00 65.13 H new ATOM 0 HG2 LYS A 18 5.398 -11.670 -3.006 1.00 53.41 H new ATOM 0 HG3 LYS A 18 6.802 -10.698 -2.613 1.00 53.41 H new ATOM 0 HD2 LYS A 18 6.462 -10.904 -0.285 1.00 12.33 H new ATOM 0 HD3 LYS A 18 4.771 -11.327 -0.467 1.00 12.33 H new ATOM 0 HE2 LYS A 18 5.363 -13.515 -1.398 1.00 24.20 H new ATOM 0 HE3 LYS A 18 7.064 -13.093 -1.408 1.00 24.20 H new ATOM 0 HZ1 LYS A 18 6.512 -14.462 0.494 1.00 12.15 H new ATOM 0 HZ2 LYS A 18 7.008 -12.923 1.012 1.00 12.15 H new ATOM 0 HZ3 LYS A 18 5.360 -13.332 1.022 1.00 12.15 H new ATOM 243 N ILE A 19 2.138 -9.593 -1.615 1.00 24.01 N ATOM 244 CA ILE A 19 0.976 -9.979 -0.825 1.00 41.34 C ATOM 245 C ILE A 19 -0.240 -10.213 -1.715 1.00 64.24 C ATOM 246 O ILE A 19 -0.540 -9.410 -2.598 1.00 3.23 O ATOM 247 CB ILE A 19 0.630 -8.907 0.226 1.00 73.45 C ATOM 248 CG1 ILE A 19 1.759 -8.782 1.250 1.00 43.10 C ATOM 249 CG2 ILE A 19 -0.683 -9.247 0.916 1.00 60.51 C ATOM 250 CD1 ILE A 19 2.677 -7.607 0.996 1.00 45.21 C ATOM 0 H ILE A 19 2.607 -8.748 -1.290 1.00 24.01 H new ATOM 0 HA ILE A 19 1.234 -10.907 -0.315 1.00 41.34 H new ATOM 0 HB ILE A 19 0.515 -7.948 -0.279 1.00 73.45 H new ATOM 0 HG12 ILE A 19 1.326 -8.686 2.246 1.00 43.10 H new ATOM 0 HG13 ILE A 19 2.347 -9.700 1.245 1.00 43.10 H new ATOM 0 HG21 ILE A 19 -0.914 -8.481 1.656 1.00 60.51 H new ATOM 0 HG22 ILE A 19 -1.482 -9.290 0.176 1.00 60.51 H new ATOM 0 HG23 ILE A 19 -0.594 -10.214 1.411 1.00 60.51 H new ATOM 0 HD11 ILE A 19 3.454 -7.580 1.760 1.00 45.21 H new ATOM 0 HD12 ILE A 19 3.138 -7.711 0.014 1.00 45.21 H new ATOM 0 HD13 ILE A 19 2.102 -6.682 1.031 1.00 45.21 H new ATOM 262 N ARG A 20 -0.937 -11.319 -1.475 1.00 71.14 N ATOM 263 CA ARG A 20 -2.121 -11.660 -2.254 1.00 71.11 C ATOM 264 C ARG A 20 -3.347 -10.916 -1.734 1.00 12.55 C ATOM 265 O ARG A 20 -3.410 -10.546 -0.560 1.00 55.41 O ATOM 266 CB ARG A 20 -2.370 -13.169 -2.210 1.00 10.22 C ATOM 267 CG ARG A 20 -1.306 -13.983 -2.927 1.00 70.10 C ATOM 268 CD ARG A 20 -1.646 -15.465 -2.929 1.00 0.40 C ATOM 269 NE ARG A 20 -0.837 -16.213 -1.969 1.00 1.31 N ATOM 270 CZ ARG A 20 0.437 -16.531 -2.171 1.00 51.32 C ATOM 271 NH1 ARG A 20 1.044 -16.167 -3.293 1.00 11.21 N ATOM 272 NH2 ARG A 20 1.105 -17.213 -1.251 1.00 22.11 N ATOM 0 H ARG A 20 -0.702 -11.994 -0.747 1.00 71.14 H new ATOM 0 HA ARG A 20 -1.945 -11.358 -3.286 1.00 71.11 H new ATOM 0 HB2 ARG A 20 -2.421 -13.490 -1.170 1.00 10.22 H new ATOM 0 HB3 ARG A 20 -3.341 -13.382 -2.657 1.00 10.22 H new ATOM 0 HG2 ARG A 20 -1.206 -13.630 -3.953 1.00 70.10 H new ATOM 0 HG3 ARG A 20 -0.342 -13.830 -2.443 1.00 70.10 H new ATOM 0 HD2 ARG A 20 -2.702 -15.595 -2.692 1.00 0.40 H new ATOM 0 HD3 ARG A 20 -1.491 -15.871 -3.928 1.00 0.40 H new ATOM 0 HE ARG A 20 -1.275 -16.507 -1.096 1.00 1.31 H new ATOM 0 HH11 ARG A 20 0.533 -15.642 -4.002 1.00 11.21 H new ATOM 0 HH12 ARG A 20 2.022 -16.412 -3.446 1.00 11.21 H new ATOM 0 HH21 ARG A 20 0.641 -17.494 -0.387 1.00 22.11 H new ATOM 0 HH22 ARG A 20 2.083 -17.457 -1.407 1.00 22.11 H new ATOM 286 N LEU A 21 -4.319 -10.698 -2.613 1.00 71.42 N ATOM 287 CA LEU A 21 -5.544 -9.998 -2.244 1.00 23.44 C ATOM 288 C LEU A 21 -6.363 -10.820 -1.253 1.00 52.30 C ATOM 289 O LEU A 21 -6.937 -10.279 -0.308 1.00 42.20 O ATOM 290 CB LEU A 21 -6.379 -9.698 -3.489 1.00 72.15 C ATOM 291 CG LEU A 21 -5.901 -8.532 -4.354 1.00 31.02 C ATOM 292 CD1 LEU A 21 -6.667 -8.490 -5.666 1.00 35.10 C ATOM 293 CD2 LEU A 21 -6.050 -7.216 -3.604 1.00 21.32 C ATOM 0 H LEU A 21 -4.282 -10.997 -3.588 1.00 71.42 H new ATOM 0 HA LEU A 21 -5.266 -9.058 -1.766 1.00 23.44 H new ATOM 0 HB2 LEU A 21 -6.407 -10.595 -4.108 1.00 72.15 H new ATOM 0 HB3 LEU A 21 -7.403 -9.495 -3.175 1.00 72.15 H new ATOM 0 HG LEU A 21 -4.845 -8.681 -4.580 1.00 31.02 H new ATOM 0 HD11 LEU A 21 -6.312 -7.653 -6.268 1.00 35.10 H new ATOM 0 HD12 LEU A 21 -6.508 -9.421 -6.210 1.00 35.10 H new ATOM 0 HD13 LEU A 21 -7.731 -8.365 -5.463 1.00 35.10 H new ATOM 0 HD21 LEU A 21 -5.705 -6.397 -4.235 1.00 21.32 H new ATOM 0 HD22 LEU A 21 -7.098 -7.060 -3.347 1.00 21.32 H new ATOM 0 HD23 LEU A 21 -5.454 -7.248 -2.692 1.00 21.32 H new ATOM 305 N ARG A 22 -6.411 -12.129 -1.475 1.00 43.13 N ATOM 306 CA ARG A 22 -7.160 -13.025 -0.602 1.00 5.13 C ATOM 307 C ARG A 22 -6.249 -14.104 -0.022 1.00 10.12 C ATOM 308 O ARG A 22 -5.147 -14.351 -0.512 1.00 44.23 O ATOM 309 CB ARG A 22 -8.313 -13.675 -1.370 1.00 11.23 C ATOM 310 CG ARG A 22 -9.670 -13.065 -1.058 1.00 74.15 C ATOM 311 CD ARG A 22 -10.173 -12.208 -2.210 1.00 73.41 C ATOM 312 NE ARG A 22 -11.552 -11.772 -2.006 1.00 61.41 N ATOM 313 CZ ARG A 22 -11.896 -10.779 -1.195 1.00 34.33 C ATOM 314 NH1 ARG A 22 -10.968 -10.120 -0.515 1.00 62.54 N ATOM 315 NH2 ARG A 22 -13.173 -10.441 -1.062 1.00 51.11 N ATOM 0 H ARG A 22 -5.940 -12.593 -2.252 1.00 43.13 H new ATOM 0 HA ARG A 22 -7.567 -12.436 0.220 1.00 5.13 H new ATOM 0 HB2 ARG A 22 -8.122 -13.588 -2.439 1.00 11.23 H new ATOM 0 HB3 ARG A 22 -8.340 -14.739 -1.137 1.00 11.23 H new ATOM 0 HG2 ARG A 22 -10.388 -13.859 -0.853 1.00 74.15 H new ATOM 0 HG3 ARG A 22 -9.599 -12.458 -0.155 1.00 74.15 H new ATOM 0 HD2 ARG A 22 -9.529 -11.335 -2.321 1.00 73.41 H new ATOM 0 HD3 ARG A 22 -10.105 -12.774 -3.139 1.00 73.41 H new ATOM 0 HE ARG A 22 -12.291 -12.257 -2.515 1.00 61.41 H new ATOM 0 HH11 ARG A 22 -9.985 -10.375 -0.614 1.00 62.54 H new ATOM 0 HH12 ARG A 22 -11.237 -9.358 0.107 1.00 62.54 H new ATOM 0 HH21 ARG A 22 -13.891 -10.945 -1.583 1.00 51.11 H new ATOM 0 HH22 ARG A 22 -13.436 -9.678 -0.439 1.00 51.11 H new ATOM 329 N PRO A 23 -6.719 -14.763 1.047 1.00 15.30 N ATOM 330 CA PRO A 23 -5.964 -15.825 1.717 1.00 70.22 C ATOM 331 C PRO A 23 -5.856 -17.086 0.866 1.00 74.22 C ATOM 332 O PRO A 23 -4.788 -17.687 0.760 1.00 33.13 O ATOM 333 CB PRO A 23 -6.783 -16.101 2.980 1.00 32.33 C ATOM 334 CG PRO A 23 -8.170 -15.681 2.631 1.00 62.11 C ATOM 335 CD PRO A 23 -8.024 -14.522 1.685 1.00 42.23 C ATOM 0 HA PRO A 23 -4.934 -15.528 1.917 1.00 70.22 H new ATOM 0 HB2 PRO A 23 -6.746 -17.155 3.254 1.00 32.33 H new ATOM 0 HB3 PRO A 23 -6.401 -15.537 3.831 1.00 32.33 H new ATOM 0 HG2 PRO A 23 -8.720 -16.499 2.165 1.00 62.11 H new ATOM 0 HG3 PRO A 23 -8.726 -15.390 3.522 1.00 62.11 H new ATOM 0 HD2 PRO A 23 -8.831 -14.497 0.952 1.00 42.23 H new ATOM 0 HD3 PRO A 23 -8.043 -13.568 2.212 1.00 42.23 H new ATOM 343 N GLY A 24 -6.971 -17.481 0.258 1.00 53.31 N ATOM 344 CA GLY A 24 -6.980 -18.668 -0.577 1.00 14.05 C ATOM 345 C GLY A 24 -7.208 -18.345 -2.041 1.00 14.13 C ATOM 346 O GLY A 24 -7.881 -19.091 -2.750 1.00 24.21 O ATOM 0 H GLY A 24 -7.868 -17.000 0.329 1.00 53.31 H new ATOM 0 HA2 GLY A 24 -6.031 -19.193 -0.467 1.00 14.05 H new ATOM 0 HA3 GLY A 24 -7.761 -19.346 -0.232 1.00 14.05 H new ATOM 350 N GLY A 25 -6.647 -17.228 -2.493 1.00 70.21 N ATOM 351 CA GLY A 25 -6.806 -16.827 -3.879 1.00 4.34 C ATOM 352 C GLY A 25 -5.490 -16.811 -4.631 1.00 41.23 C ATOM 353 O GLY A 25 -4.486 -17.341 -4.154 1.00 41.43 O ATOM 0 H GLY A 25 -6.086 -16.594 -1.925 1.00 70.21 H new ATOM 0 HA2 GLY A 25 -7.496 -17.509 -4.375 1.00 4.34 H new ATOM 0 HA3 GLY A 25 -7.256 -15.835 -3.918 1.00 4.34 H new ATOM 357 N LYS A 26 -5.493 -16.201 -5.812 1.00 71.51 N ATOM 358 CA LYS A 26 -4.292 -16.118 -6.635 1.00 23.24 C ATOM 359 C LYS A 26 -4.048 -14.686 -7.096 1.00 44.43 C ATOM 360 O LYS A 26 -3.135 -14.422 -7.880 1.00 0.53 O ATOM 361 CB LYS A 26 -4.414 -17.043 -7.848 1.00 0.22 C ATOM 362 CG LYS A 26 -3.089 -17.637 -8.295 1.00 0.04 C ATOM 363 CD LYS A 26 -3.293 -18.904 -9.109 1.00 3.23 C ATOM 364 CE LYS A 26 -2.051 -19.782 -9.091 1.00 74.44 C ATOM 365 NZ LYS A 26 -2.290 -21.065 -8.374 1.00 23.15 N ATOM 0 H LYS A 26 -6.315 -15.756 -6.221 1.00 71.51 H new ATOM 0 HA LYS A 26 -3.443 -16.436 -6.029 1.00 23.24 H new ATOM 0 HB2 LYS A 26 -5.104 -17.853 -7.609 1.00 0.22 H new ATOM 0 HB3 LYS A 26 -4.851 -16.486 -8.677 1.00 0.22 H new ATOM 0 HG2 LYS A 26 -2.543 -16.905 -8.890 1.00 0.04 H new ATOM 0 HG3 LYS A 26 -2.476 -17.859 -7.422 1.00 0.04 H new ATOM 0 HD2 LYS A 26 -4.140 -19.462 -8.710 1.00 3.23 H new ATOM 0 HD3 LYS A 26 -3.540 -18.641 -10.138 1.00 3.23 H new ATOM 0 HE2 LYS A 26 -1.739 -19.990 -10.114 1.00 74.44 H new ATOM 0 HE3 LYS A 26 -1.233 -19.245 -8.611 1.00 74.44 H new ATOM 0 HZ1 LYS A 26 -1.420 -21.635 -8.384 1.00 23.15 H new ATOM 0 HZ2 LYS A 26 -2.564 -20.867 -7.390 1.00 23.15 H new ATOM 0 HZ3 LYS A 26 -3.053 -21.590 -8.847 1.00 23.15 H new ATOM 379 N LYS A 27 -4.868 -13.762 -6.606 1.00 42.33 N ATOM 380 CA LYS A 27 -4.740 -12.355 -6.966 1.00 61.20 C ATOM 381 C LYS A 27 -3.763 -11.642 -6.036 1.00 64.44 C ATOM 382 O LYS A 27 -3.512 -12.095 -4.920 1.00 34.22 O ATOM 383 CB LYS A 27 -6.106 -11.668 -6.911 1.00 12.30 C ATOM 384 CG LYS A 27 -7.125 -12.262 -7.867 1.00 74.44 C ATOM 385 CD LYS A 27 -8.517 -11.709 -7.613 1.00 53.12 C ATOM 386 CE LYS A 27 -9.493 -12.811 -7.228 1.00 63.02 C ATOM 387 NZ LYS A 27 -10.327 -13.241 -8.384 1.00 53.01 N ATOM 0 H LYS A 27 -5.629 -13.963 -5.958 1.00 42.33 H new ATOM 0 HA LYS A 27 -4.352 -12.299 -7.983 1.00 61.20 H new ATOM 0 HB2 LYS A 27 -6.494 -11.731 -5.894 1.00 12.30 H new ATOM 0 HB3 LYS A 27 -5.980 -10.610 -7.139 1.00 12.30 H new ATOM 0 HG2 LYS A 27 -6.829 -12.048 -8.894 1.00 74.44 H new ATOM 0 HG3 LYS A 27 -7.138 -13.346 -7.758 1.00 74.44 H new ATOM 0 HD2 LYS A 27 -8.475 -10.965 -6.818 1.00 53.12 H new ATOM 0 HD3 LYS A 27 -8.876 -11.200 -8.507 1.00 53.12 H new ATOM 0 HE2 LYS A 27 -8.940 -13.667 -6.841 1.00 63.02 H new ATOM 0 HE3 LYS A 27 -10.140 -12.459 -6.424 1.00 63.02 H new ATOM 0 HZ1 LYS A 27 -10.979 -13.993 -8.081 1.00 53.01 H new ATOM 0 HZ2 LYS A 27 -10.874 -12.430 -8.738 1.00 53.01 H new ATOM 0 HZ3 LYS A 27 -9.712 -13.601 -9.141 1.00 53.01 H new ATOM 401 N GLN A 28 -3.216 -10.525 -6.504 1.00 73.12 N ATOM 402 CA GLN A 28 -2.267 -9.750 -5.714 1.00 24.24 C ATOM 403 C GLN A 28 -2.585 -8.261 -5.788 1.00 11.32 C ATOM 404 O GLN A 28 -3.618 -7.862 -6.326 1.00 70.43 O ATOM 405 CB GLN A 28 -0.839 -10.004 -6.200 1.00 44.41 C ATOM 406 CG GLN A 28 -0.462 -11.476 -6.241 1.00 30.11 C ATOM 407 CD GLN A 28 -0.214 -11.977 -7.649 1.00 54.44 C ATOM 408 OE1 GLN A 28 0.394 -11.286 -8.468 1.00 3.31 O ATOM 409 NE2 GLN A 28 -0.686 -13.183 -7.941 1.00 3.10 N ATOM 0 H GLN A 28 -3.414 -10.136 -7.426 1.00 73.12 H new ATOM 0 HA GLN A 28 -2.352 -10.069 -4.675 1.00 24.24 H new ATOM 0 HB2 GLN A 28 -0.723 -9.580 -7.197 1.00 44.41 H new ATOM 0 HB3 GLN A 28 -0.143 -9.477 -5.547 1.00 44.41 H new ATOM 0 HG2 GLN A 28 0.434 -11.634 -5.640 1.00 30.11 H new ATOM 0 HG3 GLN A 28 -1.259 -12.064 -5.786 1.00 30.11 H new ATOM 0 HE21 GLN A 28 -1.184 -13.721 -7.232 1.00 3.10 H new ATOM 0 HE22 GLN A 28 -0.551 -13.571 -8.874 1.00 3.10 H new ATOM 418 N TYR A 29 -1.692 -7.443 -5.243 1.00 51.34 N ATOM 419 CA TYR A 29 -1.879 -5.996 -5.245 1.00 71.21 C ATOM 420 C TYR A 29 -1.249 -5.367 -6.484 1.00 73.32 C ATOM 421 O TYR A 29 -0.288 -5.896 -7.044 1.00 0.30 O ATOM 422 CB TYR A 29 -1.272 -5.381 -3.983 1.00 15.45 C ATOM 423 CG TYR A 29 -2.219 -5.361 -2.804 1.00 62.50 C ATOM 424 CD1 TYR A 29 -3.211 -4.394 -2.700 1.00 54.21 C ATOM 425 CD2 TYR A 29 -2.121 -6.309 -1.793 1.00 72.41 C ATOM 426 CE1 TYR A 29 -4.078 -4.372 -1.624 1.00 71.04 C ATOM 427 CE2 TYR A 29 -2.984 -6.297 -0.715 1.00 12.52 C ATOM 428 CZ TYR A 29 -3.960 -5.325 -0.635 1.00 72.30 C ATOM 429 OH TYR A 29 -4.821 -5.307 0.439 1.00 72.24 O ATOM 0 H TYR A 29 -0.831 -7.756 -4.794 1.00 51.34 H new ATOM 0 HA TYR A 29 -2.950 -5.793 -5.261 1.00 71.21 H new ATOM 0 HB2 TYR A 29 -0.377 -5.941 -3.710 1.00 15.45 H new ATOM 0 HB3 TYR A 29 -0.956 -4.361 -4.202 1.00 15.45 H new ATOM 0 HD1 TYR A 29 -3.306 -3.646 -3.474 1.00 54.21 H new ATOM 0 HD2 TYR A 29 -1.356 -7.069 -1.851 1.00 72.41 H new ATOM 0 HE1 TYR A 29 -4.843 -3.613 -1.558 1.00 71.04 H new ATOM 0 HE2 TYR A 29 -2.896 -7.044 0.060 1.00 12.52 H new ATOM 0 HH TYR A 29 -5.675 -5.713 0.181 1.00 72.24 H new ATOM 439 N LYS A 30 -1.797 -4.233 -6.907 1.00 14.00 N ATOM 440 CA LYS A 30 -1.290 -3.528 -8.078 1.00 4.20 C ATOM 441 C LYS A 30 -1.301 -2.020 -7.852 1.00 52.42 C ATOM 442 O LYS A 30 -1.881 -1.531 -6.881 1.00 71.10 O ATOM 443 CB LYS A 30 -2.129 -3.875 -9.310 1.00 65.45 C ATOM 444 CG LYS A 30 -1.326 -4.510 -10.433 1.00 62.31 C ATOM 445 CD LYS A 30 -1.707 -3.936 -11.787 1.00 1.24 C ATOM 446 CE LYS A 30 -0.911 -4.581 -12.910 1.00 40.44 C ATOM 447 NZ LYS A 30 0.081 -3.638 -13.499 1.00 53.30 N ATOM 0 H LYS A 30 -2.593 -3.782 -6.456 1.00 14.00 H new ATOM 0 HA LYS A 30 -0.261 -3.845 -8.245 1.00 4.20 H new ATOM 0 HB2 LYS A 30 -2.928 -4.556 -9.015 1.00 65.45 H new ATOM 0 HB3 LYS A 30 -2.605 -2.968 -9.683 1.00 65.45 H new ATOM 0 HG2 LYS A 30 -0.262 -4.350 -10.256 1.00 62.31 H new ATOM 0 HG3 LYS A 30 -1.491 -5.587 -10.435 1.00 62.31 H new ATOM 0 HD2 LYS A 30 -2.772 -4.088 -11.961 1.00 1.24 H new ATOM 0 HD3 LYS A 30 -1.534 -2.860 -11.789 1.00 1.24 H new ATOM 0 HE2 LYS A 30 -0.394 -5.461 -12.529 1.00 40.44 H new ATOM 0 HE3 LYS A 30 -1.593 -4.924 -13.688 1.00 40.44 H new ATOM 0 HZ1 LYS A 30 0.604 -4.115 -14.261 1.00 53.30 H new ATOM 0 HZ2 LYS A 30 -0.415 -2.809 -13.885 1.00 53.30 H new ATOM 0 HZ3 LYS A 30 0.747 -3.330 -12.762 1.00 53.30 H new ATOM 461 N LEU A 31 -0.658 -1.286 -8.754 1.00 71.23 N ATOM 462 CA LEU A 31 -0.595 0.168 -8.654 1.00 63.11 C ATOM 463 C LEU A 31 -1.980 0.757 -8.412 1.00 50.44 C ATOM 464 O LEU A 31 -2.148 1.663 -7.595 1.00 73.20 O ATOM 465 CB LEU A 31 0.009 0.761 -9.928 1.00 25.02 C ATOM 466 CG LEU A 31 1.531 0.918 -9.938 1.00 43.34 C ATOM 467 CD1 LEU A 31 2.081 0.686 -11.337 1.00 30.01 C ATOM 468 CD2 LEU A 31 1.928 2.296 -9.429 1.00 62.52 C ATOM 0 H LEU A 31 -0.173 -1.674 -9.563 1.00 71.23 H new ATOM 0 HA LEU A 31 0.041 0.422 -7.806 1.00 63.11 H new ATOM 0 HB2 LEU A 31 -0.277 0.130 -10.770 1.00 25.02 H new ATOM 0 HB3 LEU A 31 -0.439 1.740 -10.097 1.00 25.02 H new ATOM 0 HG LEU A 31 1.959 0.169 -9.272 1.00 43.34 H new ATOM 0 HD11 LEU A 31 3.165 0.802 -11.326 1.00 30.01 H new ATOM 0 HD12 LEU A 31 1.827 -0.322 -11.665 1.00 30.01 H new ATOM 0 HD13 LEU A 31 1.646 1.412 -12.024 1.00 30.01 H new ATOM 0 HD21 LEU A 31 3.014 2.390 -9.443 1.00 62.52 H new ATOM 0 HD22 LEU A 31 1.489 3.061 -10.070 1.00 62.52 H new ATOM 0 HD23 LEU A 31 1.566 2.425 -8.409 1.00 62.52 H new ATOM 480 N LYS A 32 -2.972 0.237 -9.128 1.00 41.30 N ATOM 481 CA LYS A 32 -4.345 0.709 -8.990 1.00 72.24 C ATOM 482 C LYS A 32 -4.693 0.949 -7.525 1.00 33.13 C ATOM 483 O LYS A 32 -5.320 1.952 -7.181 1.00 43.31 O ATOM 484 CB LYS A 32 -5.318 -0.306 -9.596 1.00 43.44 C ATOM 485 CG LYS A 32 -6.566 0.327 -10.187 1.00 0.21 C ATOM 486 CD LYS A 32 -7.263 -0.614 -11.156 1.00 43.31 C ATOM 487 CE LYS A 32 -8.573 -1.131 -10.584 1.00 32.21 C ATOM 488 NZ LYS A 32 -8.413 -2.470 -9.952 1.00 1.23 N ATOM 0 H LYS A 32 -2.850 -0.512 -9.810 1.00 41.30 H new ATOM 0 HA LYS A 32 -4.434 1.654 -9.526 1.00 72.24 H new ATOM 0 HB2 LYS A 32 -4.804 -0.870 -10.374 1.00 43.44 H new ATOM 0 HB3 LYS A 32 -5.612 -1.019 -8.826 1.00 43.44 H new ATOM 0 HG2 LYS A 32 -7.252 0.598 -9.385 1.00 0.21 H new ATOM 0 HG3 LYS A 32 -6.298 1.249 -10.703 1.00 0.21 H new ATOM 0 HD2 LYS A 32 -7.454 -0.095 -12.095 1.00 43.31 H new ATOM 0 HD3 LYS A 32 -6.607 -1.454 -11.384 1.00 43.31 H new ATOM 0 HE2 LYS A 32 -8.951 -0.424 -9.846 1.00 32.21 H new ATOM 0 HE3 LYS A 32 -9.317 -1.191 -11.378 1.00 32.21 H new ATOM 0 HZ1 LYS A 32 -9.329 -2.787 -9.574 1.00 1.23 H new ATOM 0 HZ2 LYS A 32 -8.077 -3.151 -10.662 1.00 1.23 H new ATOM 0 HZ3 LYS A 32 -7.722 -2.408 -9.177 1.00 1.23 H new ATOM 502 N HIS A 33 -4.282 0.024 -6.663 1.00 70.14 N ATOM 503 CA HIS A 33 -4.549 0.136 -5.233 1.00 62.14 C ATOM 504 C HIS A 33 -3.741 1.276 -4.619 1.00 12.40 C ATOM 505 O HIS A 33 -4.307 1.985 -3.786 1.00 34.23 O ATOM 506 CB HIS A 33 -4.215 -1.177 -4.526 1.00 73.31 C ATOM 507 CG HIS A 33 -4.932 -2.363 -5.096 1.00 21.35 C ATOM 508 ND1 HIS A 33 -4.286 -3.387 -5.756 1.00 32.52 N ATOM 509 CD2 HIS A 33 -6.247 -2.684 -5.102 1.00 21.22 C ATOM 510 CE1 HIS A 33 -5.173 -4.287 -6.142 1.00 44.12 C ATOM 511 NE2 HIS A 33 -6.371 -3.884 -5.758 1.00 22.24 N ATOM 0 H HIS A 33 -3.762 -0.812 -6.930 1.00 70.14 H new ATOM 0 HA HIS A 33 -5.609 0.351 -5.102 1.00 62.14 H new ATOM 0 HB2 HIS A 33 -3.140 -1.349 -4.586 1.00 73.31 H new ATOM 0 HB3 HIS A 33 -4.465 -1.085 -3.469 1.00 73.31 H new ATOM 0 HD2 HIS A 33 -7.050 -2.104 -4.671 1.00 21.22 H new ATOM 0 HE1 HIS A 33 -4.955 -5.198 -6.680 1.00 44.12 H new ATOM 0 HE2 HIS A 33 -7.245 -4.383 -5.922 1.00 22.24 H new ATOM 519 N ILE A 34 -2.481 1.467 -4.995 1.00 63.25 N ATOM 520 CA ILE A 34 -1.673 2.544 -4.437 1.00 21.03 C ATOM 521 C ILE A 34 -2.196 3.908 -4.874 1.00 64.40 C ATOM 522 O ILE A 34 -2.727 4.669 -4.066 1.00 3.03 O ATOM 523 CB ILE A 34 -0.196 2.414 -4.856 1.00 3.14 C ATOM 524 CG1 ILE A 34 0.352 1.043 -4.458 1.00 33.44 C ATOM 525 CG2 ILE A 34 0.632 3.524 -4.227 1.00 3.02 C ATOM 526 CD1 ILE A 34 1.801 0.837 -4.836 1.00 45.30 C ATOM 0 H ILE A 34 -1.998 0.890 -5.684 1.00 63.25 H new ATOM 0 HA ILE A 34 -1.744 2.462 -3.352 1.00 21.03 H new ATOM 0 HB ILE A 34 -0.132 2.508 -5.940 1.00 3.14 H new ATOM 0 HG12 ILE A 34 0.245 0.917 -3.381 1.00 33.44 H new ATOM 0 HG13 ILE A 34 -0.252 0.268 -4.931 1.00 33.44 H new ATOM 0 HG21 ILE A 34 1.673 3.419 -4.532 1.00 3.02 H new ATOM 0 HG22 ILE A 34 0.253 4.492 -4.556 1.00 3.02 H new ATOM 0 HG23 ILE A 34 0.564 3.458 -3.141 1.00 3.02 H new ATOM 0 HD11 ILE A 34 2.121 -0.157 -4.523 1.00 45.30 H new ATOM 0 HD12 ILE A 34 1.912 0.930 -5.916 1.00 45.30 H new ATOM 0 HD13 ILE A 34 2.416 1.589 -4.342 1.00 45.30 H new ATOM 538 N VAL A 35 -2.044 4.209 -6.160 1.00 13.11 N ATOM 539 CA VAL A 35 -2.504 5.480 -6.706 1.00 41.20 C ATOM 540 C VAL A 35 -3.846 5.882 -6.107 1.00 12.50 C ATOM 541 O VAL A 35 -4.052 7.040 -5.739 1.00 74.21 O ATOM 542 CB VAL A 35 -2.637 5.417 -8.239 1.00 61.01 C ATOM 543 CG1 VAL A 35 -3.209 6.719 -8.779 1.00 44.34 C ATOM 544 CG2 VAL A 35 -1.291 5.111 -8.878 1.00 64.43 C ATOM 0 H VAL A 35 -1.606 3.590 -6.842 1.00 13.11 H new ATOM 0 HA VAL A 35 -1.754 6.227 -6.444 1.00 41.20 H new ATOM 0 HB VAL A 35 -3.326 4.612 -8.494 1.00 61.01 H new ATOM 0 HG11 VAL A 35 -3.296 6.656 -9.864 1.00 44.34 H new ATOM 0 HG12 VAL A 35 -4.194 6.891 -8.345 1.00 44.34 H new ATOM 0 HG13 VAL A 35 -2.547 7.544 -8.515 1.00 44.34 H new ATOM 0 HG21 VAL A 35 -1.403 5.070 -9.961 1.00 64.43 H new ATOM 0 HG22 VAL A 35 -0.578 5.893 -8.616 1.00 64.43 H new ATOM 0 HG23 VAL A 35 -0.926 4.150 -8.515 1.00 64.43 H new ATOM 554 N TRP A 36 -4.757 4.921 -6.011 1.00 31.44 N ATOM 555 CA TRP A 36 -6.081 5.175 -5.454 1.00 74.11 C ATOM 556 C TRP A 36 -5.981 5.703 -4.028 1.00 41.32 C ATOM 557 O TRP A 36 -6.620 6.694 -3.678 1.00 13.44 O ATOM 558 CB TRP A 36 -6.921 3.896 -5.479 1.00 54.15 C ATOM 559 CG TRP A 36 -8.249 4.045 -4.801 1.00 20.31 C ATOM 560 CD1 TRP A 36 -9.416 4.474 -5.367 1.00 24.13 C ATOM 561 CD2 TRP A 36 -8.546 3.766 -3.428 1.00 71.42 C ATOM 562 NE1 TRP A 36 -10.419 4.479 -4.428 1.00 53.10 N ATOM 563 CE2 TRP A 36 -9.911 4.047 -3.232 1.00 53.10 C ATOM 564 CE3 TRP A 36 -7.791 3.302 -2.346 1.00 52.35 C ATOM 565 CZ2 TRP A 36 -10.535 3.883 -1.998 1.00 74.21 C ATOM 566 CZ3 TRP A 36 -8.411 3.139 -1.123 1.00 51.40 C ATOM 567 CH2 TRP A 36 -9.773 3.428 -0.956 1.00 43.31 C ATOM 0 H TRP A 36 -4.604 3.958 -6.312 1.00 31.44 H new ATOM 0 HA TRP A 36 -6.566 5.933 -6.069 1.00 74.11 H new ATOM 0 HB2 TRP A 36 -7.081 3.595 -6.514 1.00 54.15 H new ATOM 0 HB3 TRP A 36 -6.363 3.094 -4.997 1.00 54.15 H new ATOM 0 HD1 TRP A 36 -9.533 4.766 -6.400 1.00 24.13 H new ATOM 0 HE1 TRP A 36 -11.385 4.759 -4.595 1.00 53.10 H new ATOM 0 HE3 TRP A 36 -6.742 3.075 -2.465 1.00 52.35 H new ATOM 0 HZ2 TRP A 36 -11.583 4.107 -1.868 1.00 74.21 H new ATOM 0 HZ3 TRP A 36 -7.837 2.783 -0.280 1.00 51.40 H new ATOM 0 HH2 TRP A 36 -10.229 3.289 0.013 1.00 43.31 H new ATOM 578 N ALA A 37 -5.174 5.036 -3.210 1.00 23.15 N ATOM 579 CA ALA A 37 -4.989 5.441 -1.822 1.00 10.40 C ATOM 580 C ALA A 37 -4.201 6.744 -1.731 1.00 13.14 C ATOM 581 O ALA A 37 -4.602 7.674 -1.030 1.00 24.05 O ATOM 582 CB ALA A 37 -4.285 4.341 -1.040 1.00 42.20 C ATOM 0 H ALA A 37 -4.638 4.213 -3.484 1.00 23.15 H new ATOM 0 HA ALA A 37 -5.973 5.610 -1.385 1.00 10.40 H new ATOM 0 HB1 ALA A 37 -4.154 4.657 -0.005 1.00 42.20 H new ATOM 0 HB2 ALA A 37 -4.887 3.432 -1.068 1.00 42.20 H new ATOM 0 HB3 ALA A 37 -3.310 4.144 -1.486 1.00 42.20 H new ATOM 588 N SER A 38 -3.081 6.804 -2.443 1.00 71.20 N ATOM 589 CA SER A 38 -2.235 7.992 -2.438 1.00 40.25 C ATOM 590 C SER A 38 -3.056 9.244 -2.733 1.00 51.21 C ATOM 591 O SER A 38 -2.862 10.288 -2.110 1.00 44.14 O ATOM 592 CB SER A 38 -1.113 7.849 -3.468 1.00 40.02 C ATOM 593 OG SER A 38 -0.837 9.089 -4.096 1.00 60.21 O ATOM 0 H SER A 38 -2.738 6.044 -3.031 1.00 71.20 H new ATOM 0 HA SER A 38 -1.796 8.092 -1.445 1.00 40.25 H new ATOM 0 HB2 SER A 38 -0.212 7.476 -2.980 1.00 40.02 H new ATOM 0 HB3 SER A 38 -1.397 7.112 -4.220 1.00 40.02 H new ATOM 0 HG SER A 38 -0.115 8.972 -4.749 1.00 60.21 H new ATOM 599 N ARG A 39 -3.973 9.131 -3.688 1.00 32.30 N ATOM 600 CA ARG A 39 -4.824 10.253 -4.068 1.00 4.05 C ATOM 601 C ARG A 39 -5.878 10.521 -2.998 1.00 52.43 C ATOM 602 O ARG A 39 -6.007 11.643 -2.508 1.00 32.44 O ATOM 603 CB ARG A 39 -5.501 9.976 -5.411 1.00 33.42 C ATOM 604 CG ARG A 39 -4.598 10.215 -6.609 1.00 44.33 C ATOM 605 CD ARG A 39 -4.292 11.695 -6.789 1.00 20.42 C ATOM 606 NE ARG A 39 -3.846 12.000 -8.146 1.00 63.32 N ATOM 607 CZ ARG A 39 -3.756 13.233 -8.630 1.00 42.50 C ATOM 608 NH1 ARG A 39 -4.080 14.272 -7.871 1.00 70.14 N ATOM 609 NH2 ARG A 39 -3.342 13.430 -9.875 1.00 1.50 N ATOM 0 H ARG A 39 -4.146 8.274 -4.213 1.00 32.30 H new ATOM 0 HA ARG A 39 -4.195 11.138 -4.164 1.00 4.05 H new ATOM 0 HB2 ARG A 39 -5.846 8.942 -5.428 1.00 33.42 H new ATOM 0 HB3 ARG A 39 -6.384 10.609 -5.500 1.00 33.42 H new ATOM 0 HG2 ARG A 39 -3.667 9.663 -6.480 1.00 44.33 H new ATOM 0 HG3 ARG A 39 -5.076 9.829 -7.509 1.00 44.33 H new ATOM 0 HD2 ARG A 39 -5.183 12.280 -6.560 1.00 20.42 H new ATOM 0 HD3 ARG A 39 -3.522 11.995 -6.078 1.00 20.42 H new ATOM 0 HE ARG A 39 -3.590 11.223 -8.755 1.00 63.32 H new ATOM 0 HH11 ARG A 39 -4.399 14.124 -6.913 1.00 70.14 H new ATOM 0 HH12 ARG A 39 -4.010 15.218 -8.245 1.00 70.14 H new ATOM 0 HH21 ARG A 39 -3.092 12.634 -10.461 1.00 1.50 H new ATOM 0 HH22 ARG A 39 -3.273 14.378 -10.246 1.00 1.50 H new ATOM 623 N GLU A 40 -6.632 9.484 -2.644 1.00 2.53 N ATOM 624 CA GLU A 40 -7.677 9.610 -1.634 1.00 44.30 C ATOM 625 C GLU A 40 -7.157 10.345 -0.402 1.00 21.54 C ATOM 626 O GLU A 40 -7.818 11.239 0.127 1.00 31.01 O ATOM 627 CB GLU A 40 -8.199 8.229 -1.236 1.00 12.33 C ATOM 628 CG GLU A 40 -9.683 8.211 -0.909 1.00 74.23 C ATOM 629 CD GLU A 40 -10.536 8.750 -2.041 1.00 62.30 C ATOM 630 OE1 GLU A 40 -10.862 7.970 -2.961 1.00 21.04 O ATOM 631 OE2 GLU A 40 -10.877 9.951 -2.008 1.00 32.45 O ATOM 0 H GLU A 40 -6.539 8.549 -3.041 1.00 2.53 H new ATOM 0 HA GLU A 40 -8.494 10.190 -2.063 1.00 44.30 H new ATOM 0 HB2 GLU A 40 -8.006 7.529 -2.049 1.00 12.33 H new ATOM 0 HB3 GLU A 40 -7.640 7.874 -0.370 1.00 12.33 H new ATOM 0 HG2 GLU A 40 -9.989 7.190 -0.683 1.00 74.23 H new ATOM 0 HG3 GLU A 40 -9.861 8.803 -0.011 1.00 74.23 H new ATOM 638 N LEU A 41 -5.969 9.961 0.051 1.00 62.14 N ATOM 639 CA LEU A 41 -5.358 10.582 1.222 1.00 53.04 C ATOM 640 C LEU A 41 -5.163 12.079 1.005 1.00 51.44 C ATOM 641 O LEU A 41 -5.360 12.879 1.919 1.00 52.14 O ATOM 642 CB LEU A 41 -4.015 9.920 1.533 1.00 1.40 C ATOM 643 CG LEU A 41 -4.082 8.559 2.224 1.00 64.43 C ATOM 644 CD1 LEU A 41 -2.684 7.992 2.424 1.00 3.04 C ATOM 645 CD2 LEU A 41 -4.808 8.671 3.556 1.00 52.24 C ATOM 0 H LEU A 41 -5.409 9.222 -0.375 1.00 62.14 H new ATOM 0 HA LEU A 41 -6.029 10.441 2.069 1.00 53.04 H new ATOM 0 HB2 LEU A 41 -3.465 9.804 0.599 1.00 1.40 H new ATOM 0 HB3 LEU A 41 -3.436 10.596 2.162 1.00 1.40 H new ATOM 0 HG LEU A 41 -4.642 7.877 1.584 1.00 64.43 H new ATOM 0 HD11 LEU A 41 -2.752 7.022 2.918 1.00 3.04 H new ATOM 0 HD12 LEU A 41 -2.198 7.873 1.456 1.00 3.04 H new ATOM 0 HD13 LEU A 41 -2.100 8.674 3.042 1.00 3.04 H new ATOM 0 HD21 LEU A 41 -4.846 7.692 4.033 1.00 52.24 H new ATOM 0 HD22 LEU A 41 -4.277 9.369 4.202 1.00 52.24 H new ATOM 0 HD23 LEU A 41 -5.823 9.032 3.388 1.00 52.24 H new ATOM 657 N GLU A 42 -4.777 12.450 -0.213 1.00 32.15 N ATOM 658 CA GLU A 42 -4.557 13.851 -0.549 1.00 25.05 C ATOM 659 C GLU A 42 -5.829 14.668 -0.339 1.00 61.31 C ATOM 660 O GLU A 42 -5.771 15.866 -0.064 1.00 43.53 O ATOM 661 CB GLU A 42 -4.087 13.983 -1.999 1.00 43.32 C ATOM 662 CG GLU A 42 -3.273 15.239 -2.264 1.00 15.10 C ATOM 663 CD GLU A 42 -4.118 16.377 -2.805 1.00 62.10 C ATOM 664 OE1 GLU A 42 -4.520 16.309 -3.985 1.00 45.11 O ATOM 665 OE2 GLU A 42 -4.378 17.334 -2.047 1.00 4.33 O ATOM 0 H GLU A 42 -4.611 11.800 -0.981 1.00 32.15 H new ATOM 0 HA GLU A 42 -3.783 14.239 0.113 1.00 25.05 H new ATOM 0 HB2 GLU A 42 -3.488 13.110 -2.258 1.00 43.32 H new ATOM 0 HB3 GLU A 42 -4.957 13.979 -2.656 1.00 43.32 H new ATOM 0 HG2 GLU A 42 -2.791 15.557 -1.340 1.00 15.10 H new ATOM 0 HG3 GLU A 42 -2.479 15.010 -2.975 1.00 15.10 H new ATOM 672 N ARG A 43 -6.976 14.010 -0.471 1.00 2.23 N ATOM 673 CA ARG A 43 -8.261 14.674 -0.298 1.00 34.43 C ATOM 674 C ARG A 43 -8.786 14.481 1.122 1.00 61.05 C ATOM 675 O ARG A 43 -9.491 15.338 1.657 1.00 64.21 O ATOM 676 CB ARG A 43 -9.278 14.135 -1.306 1.00 34.41 C ATOM 677 CG ARG A 43 -10.615 14.855 -1.268 1.00 12.10 C ATOM 678 CD ARG A 43 -11.490 14.469 -2.450 1.00 34.41 C ATOM 679 NE ARG A 43 -12.183 13.202 -2.227 1.00 23.41 N ATOM 680 CZ ARG A 43 -13.217 12.792 -2.952 1.00 51.14 C ATOM 681 NH1 ARG A 43 -13.677 13.545 -3.942 1.00 44.13 N ATOM 682 NH2 ARG A 43 -13.794 11.627 -2.689 1.00 20.21 N ATOM 0 H ARG A 43 -7.041 13.018 -0.697 1.00 2.23 H new ATOM 0 HA ARG A 43 -8.117 15.740 -0.472 1.00 34.43 H new ATOM 0 HB2 ARG A 43 -8.860 14.216 -2.309 1.00 34.41 H new ATOM 0 HB3 ARG A 43 -9.441 13.075 -1.113 1.00 34.41 H new ATOM 0 HG2 ARG A 43 -11.132 14.616 -0.338 1.00 12.10 H new ATOM 0 HG3 ARG A 43 -10.449 15.932 -1.273 1.00 12.10 H new ATOM 0 HD2 ARG A 43 -12.222 15.256 -2.631 1.00 34.41 H new ATOM 0 HD3 ARG A 43 -10.875 14.393 -3.347 1.00 34.41 H new ATOM 0 HE ARG A 43 -11.854 12.599 -1.473 1.00 23.41 H new ATOM 0 HH11 ARG A 43 -13.236 14.442 -4.148 1.00 44.13 H new ATOM 0 HH12 ARG A 43 -14.471 13.228 -4.497 1.00 44.13 H new ATOM 0 HH21 ARG A 43 -13.443 11.044 -1.929 1.00 20.21 H new ATOM 0 HH22 ARG A 43 -14.588 11.314 -3.247 1.00 20.21 H new ATOM 696 N PHE A 44 -8.439 13.350 1.727 1.00 62.21 N ATOM 697 CA PHE A 44 -8.876 13.043 3.084 1.00 2.44 C ATOM 698 C PHE A 44 -8.271 14.025 4.084 1.00 30.54 C ATOM 699 O PHE A 44 -8.661 14.057 5.251 1.00 23.53 O ATOM 700 CB PHE A 44 -8.486 11.612 3.458 1.00 42.43 C ATOM 701 CG PHE A 44 -9.654 10.669 3.517 1.00 3.42 C ATOM 702 CD1 PHE A 44 -10.607 10.662 2.512 1.00 74.13 C ATOM 703 CD2 PHE A 44 -9.798 9.790 4.578 1.00 10.31 C ATOM 704 CE1 PHE A 44 -11.683 9.794 2.563 1.00 44.41 C ATOM 705 CE2 PHE A 44 -10.870 8.921 4.635 1.00 54.05 C ATOM 706 CZ PHE A 44 -11.815 8.924 3.627 1.00 21.53 C ATOM 0 H PHE A 44 -7.856 12.631 1.299 1.00 62.21 H new ATOM 0 HA PHE A 44 -9.961 13.136 3.119 1.00 2.44 H new ATOM 0 HB2 PHE A 44 -7.764 11.239 2.731 1.00 42.43 H new ATOM 0 HB3 PHE A 44 -7.987 11.621 4.427 1.00 42.43 H new ATOM 0 HD1 PHE A 44 -10.509 11.342 1.679 1.00 74.13 H new ATOM 0 HD2 PHE A 44 -9.064 9.784 5.370 1.00 10.31 H new ATOM 0 HE1 PHE A 44 -12.418 9.797 1.772 1.00 44.41 H new ATOM 0 HE2 PHE A 44 -10.970 8.240 5.467 1.00 54.05 H new ATOM 0 HZ PHE A 44 -12.655 8.247 3.671 1.00 21.53 H new ATOM 716 N ALA A 45 -7.317 14.824 3.618 1.00 33.24 N ATOM 717 CA ALA A 45 -6.659 15.806 4.470 1.00 41.42 C ATOM 718 C ALA A 45 -5.400 15.227 5.105 1.00 64.02 C ATOM 719 O ALA A 45 -4.767 15.864 5.947 1.00 12.13 O ATOM 720 CB ALA A 45 -7.616 16.297 5.545 1.00 15.44 C ATOM 0 H ALA A 45 -6.983 14.810 2.654 1.00 33.24 H new ATOM 0 HA ALA A 45 -6.364 16.651 3.847 1.00 41.42 H new ATOM 0 HB1 ALA A 45 -7.111 17.030 6.174 1.00 15.44 H new ATOM 0 HB2 ALA A 45 -8.485 16.759 5.076 1.00 15.44 H new ATOM 0 HB3 ALA A 45 -7.939 15.455 6.157 1.00 15.44 H new ATOM 726 N VAL A 46 -5.040 14.014 4.696 1.00 55.31 N ATOM 727 CA VAL A 46 -3.856 13.349 5.224 1.00 25.33 C ATOM 728 C VAL A 46 -2.760 13.255 4.168 1.00 12.11 C ATOM 729 O VAL A 46 -2.923 12.585 3.150 1.00 71.43 O ATOM 730 CB VAL A 46 -4.187 11.933 5.733 1.00 44.33 C ATOM 731 CG1 VAL A 46 -2.911 11.163 6.037 1.00 23.22 C ATOM 732 CG2 VAL A 46 -5.082 12.003 6.960 1.00 52.30 C ATOM 0 H VAL A 46 -5.552 13.472 4.000 1.00 55.31 H new ATOM 0 HA VAL A 46 -3.500 13.953 6.059 1.00 25.33 H new ATOM 0 HB VAL A 46 -4.726 11.401 4.949 1.00 44.33 H new ATOM 0 HG11 VAL A 46 -3.165 10.165 6.395 1.00 23.22 H new ATOM 0 HG12 VAL A 46 -2.311 11.081 5.131 1.00 23.22 H new ATOM 0 HG13 VAL A 46 -2.342 11.690 6.803 1.00 23.22 H new ATOM 0 HG21 VAL A 46 -5.305 10.994 7.305 1.00 52.30 H new ATOM 0 HG22 VAL A 46 -4.572 12.553 7.751 1.00 52.30 H new ATOM 0 HG23 VAL A 46 -6.011 12.513 6.704 1.00 52.30 H new ATOM 742 N ASN A 47 -1.645 13.932 4.419 1.00 31.42 N ATOM 743 CA ASN A 47 -0.521 13.924 3.488 1.00 14.34 C ATOM 744 C ASN A 47 -0.174 12.500 3.065 1.00 13.32 C ATOM 745 O ASN A 47 -0.026 11.600 3.891 1.00 23.22 O ATOM 746 CB ASN A 47 0.700 14.591 4.126 1.00 34.51 C ATOM 747 CG ASN A 47 0.500 16.078 4.344 1.00 32.12 C ATOM 748 OD1 ASN A 47 -0.042 16.499 5.366 1.00 54.24 O ATOM 749 ND2 ASN A 47 0.938 16.880 3.382 1.00 54.33 N ATOM 0 H ASN A 47 -1.495 14.493 5.258 1.00 31.42 H new ATOM 0 HA ASN A 47 -0.812 14.486 2.601 1.00 14.34 H new ATOM 0 HB2 ASN A 47 0.914 14.112 5.082 1.00 34.51 H new ATOM 0 HB3 ASN A 47 1.570 14.434 3.489 1.00 34.51 H new ATOM 0 HD21 ASN A 47 0.831 17.890 3.472 1.00 54.33 H new ATOM 0 HD22 ASN A 47 1.381 16.486 2.552 1.00 54.33 H new ATOM 756 N PRO A 48 -0.043 12.291 1.747 1.00 70.34 N ATOM 757 CA PRO A 48 0.289 10.979 1.184 1.00 73.14 C ATOM 758 C PRO A 48 1.723 10.560 1.492 1.00 13.25 C ATOM 759 O PRO A 48 2.128 9.436 1.201 1.00 52.33 O ATOM 760 CB PRO A 48 0.104 11.183 -0.323 1.00 10.15 C ATOM 761 CG PRO A 48 0.310 12.643 -0.535 1.00 34.22 C ATOM 762 CD PRO A 48 -0.207 13.319 0.705 1.00 61.51 C ATOM 0 HA PRO A 48 -0.334 10.188 1.602 1.00 73.14 H new ATOM 0 HB2 PRO A 48 0.823 10.595 -0.893 1.00 10.15 H new ATOM 0 HB3 PRO A 48 -0.890 10.872 -0.646 1.00 10.15 H new ATOM 0 HG2 PRO A 48 1.365 12.869 -0.692 1.00 34.22 H new ATOM 0 HG3 PRO A 48 -0.225 12.988 -1.420 1.00 34.22 H new ATOM 0 HD2 PRO A 48 0.360 14.221 0.937 1.00 61.51 H new ATOM 0 HD3 PRO A 48 -1.250 13.617 0.595 1.00 61.51 H new ATOM 770 N GLY A 49 2.485 11.474 2.085 1.00 22.42 N ATOM 771 CA GLY A 49 3.866 11.180 2.425 1.00 21.11 C ATOM 772 C GLY A 49 3.984 10.221 3.593 1.00 0.10 C ATOM 773 O GLY A 49 5.045 9.638 3.822 1.00 15.34 O ATOM 0 H GLY A 49 2.172 12.412 2.336 1.00 22.42 H new ATOM 0 HA2 GLY A 49 4.368 10.753 1.557 1.00 21.11 H new ATOM 0 HA3 GLY A 49 4.383 12.109 2.668 1.00 21.11 H new ATOM 777 N LEU A 50 2.894 10.058 4.335 1.00 2.21 N ATOM 778 CA LEU A 50 2.880 9.164 5.488 1.00 25.01 C ATOM 779 C LEU A 50 2.785 7.707 5.046 1.00 34.25 C ATOM 780 O LEU A 50 2.826 6.793 5.871 1.00 45.12 O ATOM 781 CB LEU A 50 1.710 9.507 6.410 1.00 53.24 C ATOM 782 CG LEU A 50 1.440 10.997 6.626 1.00 1.12 C ATOM 783 CD1 LEU A 50 0.087 11.204 7.289 1.00 42.44 C ATOM 784 CD2 LEU A 50 2.546 11.623 7.462 1.00 44.11 C ATOM 0 H LEU A 50 2.009 10.533 4.159 1.00 2.21 H new ATOM 0 HA LEU A 50 3.814 9.299 6.033 1.00 25.01 H new ATOM 0 HB2 LEU A 50 0.808 9.050 6.004 1.00 53.24 H new ATOM 0 HB3 LEU A 50 1.892 9.047 7.381 1.00 53.24 H new ATOM 0 HG LEU A 50 1.424 11.488 5.653 1.00 1.12 H new ATOM 0 HD11 LEU A 50 -0.088 12.270 7.435 1.00 42.44 H new ATOM 0 HD12 LEU A 50 -0.697 10.791 6.653 1.00 42.44 H new ATOM 0 HD13 LEU A 50 0.074 10.699 8.255 1.00 42.44 H new ATOM 0 HD21 LEU A 50 2.338 12.683 7.606 1.00 44.11 H new ATOM 0 HD22 LEU A 50 2.594 11.128 8.432 1.00 44.11 H new ATOM 0 HD23 LEU A 50 3.500 11.507 6.948 1.00 44.11 H new ATOM 796 N LEU A 51 2.657 7.498 3.740 1.00 25.51 N ATOM 797 CA LEU A 51 2.558 6.151 3.188 1.00 23.44 C ATOM 798 C LEU A 51 3.943 5.566 2.927 1.00 51.24 C ATOM 799 O LEU A 51 4.178 4.380 3.155 1.00 63.34 O ATOM 800 CB LEU A 51 1.747 6.169 1.892 1.00 72.23 C ATOM 801 CG LEU A 51 0.263 6.514 2.033 1.00 3.15 C ATOM 802 CD1 LEU A 51 -0.436 6.426 0.686 1.00 64.22 C ATOM 803 CD2 LEU A 51 -0.404 5.593 3.044 1.00 41.51 C ATOM 0 H LEU A 51 2.619 8.243 3.044 1.00 25.51 H new ATOM 0 HA LEU A 51 2.050 5.522 3.919 1.00 23.44 H new ATOM 0 HB2 LEU A 51 2.203 6.888 1.211 1.00 72.23 H new ATOM 0 HB3 LEU A 51 1.829 5.189 1.422 1.00 72.23 H new ATOM 0 HG LEU A 51 0.180 7.539 2.395 1.00 3.15 H new ATOM 0 HD11 LEU A 51 -1.490 6.675 0.806 1.00 64.22 H new ATOM 0 HD12 LEU A 51 0.025 7.127 -0.010 1.00 64.22 H new ATOM 0 HD13 LEU A 51 -0.345 5.413 0.294 1.00 64.22 H new ATOM 0 HD21 LEU A 51 -1.459 5.852 3.132 1.00 41.51 H new ATOM 0 HD22 LEU A 51 -0.311 4.559 2.711 1.00 41.51 H new ATOM 0 HD23 LEU A 51 0.080 5.707 4.014 1.00 41.51 H new ATOM 815 N GLU A 52 4.854 6.407 2.448 1.00 74.10 N ATOM 816 CA GLU A 52 6.215 5.973 2.158 1.00 45.31 C ATOM 817 C GLU A 52 6.932 5.537 3.432 1.00 75.20 C ATOM 818 O GLU A 52 7.807 4.671 3.402 1.00 2.31 O ATOM 819 CB GLU A 52 7.000 7.098 1.479 1.00 55.35 C ATOM 820 CG GLU A 52 7.375 8.232 2.419 1.00 35.51 C ATOM 821 CD GLU A 52 7.243 9.596 1.770 1.00 63.41 C ATOM 822 OE1 GLU A 52 7.229 9.661 0.523 1.00 5.14 O ATOM 823 OE2 GLU A 52 7.154 10.597 2.510 1.00 53.32 O ATOM 0 H GLU A 52 4.674 7.392 2.253 1.00 74.10 H new ATOM 0 HA GLU A 52 6.159 5.119 1.483 1.00 45.31 H new ATOM 0 HB2 GLU A 52 7.909 6.683 1.043 1.00 55.35 H new ATOM 0 HB3 GLU A 52 6.406 7.499 0.658 1.00 55.35 H new ATOM 0 HG2 GLU A 52 6.739 8.191 3.303 1.00 35.51 H new ATOM 0 HG3 GLU A 52 8.401 8.093 2.758 1.00 35.51 H new ATOM 830 N THR A 53 6.552 6.141 4.554 1.00 12.22 N ATOM 831 CA THR A 53 7.158 5.818 5.839 1.00 31.33 C ATOM 832 C THR A 53 6.237 4.934 6.674 1.00 3.32 C ATOM 833 O THR A 53 5.143 5.349 7.056 1.00 75.34 O ATOM 834 CB THR A 53 7.493 7.091 6.639 1.00 2.40 C ATOM 835 OG1 THR A 53 6.375 7.467 7.453 1.00 65.45 O ATOM 836 CG2 THR A 53 7.856 8.236 5.706 1.00 51.44 C ATOM 0 H THR A 53 5.827 6.857 4.598 1.00 12.22 H new ATOM 0 HA THR A 53 8.081 5.279 5.626 1.00 31.33 H new ATOM 0 HB THR A 53 8.351 6.878 7.277 1.00 2.40 H new ATOM 0 HG1 THR A 53 5.551 7.108 7.063 1.00 65.45 H new ATOM 0 HG21 THR A 53 8.089 9.124 6.293 1.00 51.44 H new ATOM 0 HG22 THR A 53 8.725 7.958 5.109 1.00 51.44 H new ATOM 0 HG23 THR A 53 7.015 8.448 5.046 1.00 51.44 H new ATOM 844 N SER A 54 6.689 3.717 6.955 1.00 71.41 N ATOM 845 CA SER A 54 5.903 2.773 7.742 1.00 10.11 C ATOM 846 C SER A 54 5.339 3.445 8.991 1.00 24.01 C ATOM 847 O SER A 54 4.259 3.093 9.464 1.00 64.21 O ATOM 848 CB SER A 54 6.761 1.570 8.141 1.00 40.14 C ATOM 849 OG SER A 54 6.000 0.376 8.130 1.00 71.44 O ATOM 0 H SER A 54 7.595 3.361 6.650 1.00 71.41 H new ATOM 0 HA SER A 54 5.071 2.430 7.127 1.00 10.11 H new ATOM 0 HB2 SER A 54 7.602 1.475 7.454 1.00 40.14 H new ATOM 0 HB3 SER A 54 7.178 1.730 9.135 1.00 40.14 H new ATOM 0 HG SER A 54 5.156 0.522 8.606 1.00 71.44 H new ATOM 855 N GLU A 55 6.080 4.416 9.518 1.00 53.02 N ATOM 856 CA GLU A 55 5.654 5.137 10.712 1.00 32.34 C ATOM 857 C GLU A 55 4.332 5.860 10.469 1.00 51.31 C ATOM 858 O GLU A 55 3.438 5.845 11.315 1.00 43.14 O ATOM 859 CB GLU A 55 6.727 6.142 11.137 1.00 35.33 C ATOM 860 CG GLU A 55 7.413 5.782 12.445 1.00 14.53 C ATOM 861 CD GLU A 55 7.852 7.004 13.228 1.00 44.11 C ATOM 862 OE1 GLU A 55 8.877 7.611 12.856 1.00 65.54 O ATOM 863 OE2 GLU A 55 7.169 7.353 14.215 1.00 44.21 O ATOM 0 H GLU A 55 6.976 4.721 9.138 1.00 53.02 H new ATOM 0 HA GLU A 55 5.509 4.411 11.512 1.00 32.34 H new ATOM 0 HB2 GLU A 55 7.478 6.214 10.350 1.00 35.33 H new ATOM 0 HB3 GLU A 55 6.272 7.128 11.234 1.00 35.33 H new ATOM 0 HG2 GLU A 55 6.733 5.188 13.056 1.00 14.53 H new ATOM 0 HG3 GLU A 55 8.282 5.158 12.236 1.00 14.53 H new ATOM 870 N GLY A 56 4.216 6.494 9.306 1.00 63.22 N ATOM 871 CA GLY A 56 3.002 7.215 8.970 1.00 30.45 C ATOM 872 C GLY A 56 1.777 6.321 8.977 1.00 42.33 C ATOM 873 O GLY A 56 0.735 6.690 9.518 1.00 51.12 O ATOM 0 H GLY A 56 4.942 6.521 8.590 1.00 63.22 H new ATOM 0 HA2 GLY A 56 2.858 8.029 9.680 1.00 30.45 H new ATOM 0 HA3 GLY A 56 3.112 7.667 7.984 1.00 30.45 H new ATOM 877 N CYS A 57 1.902 5.146 8.373 1.00 63.44 N ATOM 878 CA CYS A 57 0.795 4.198 8.308 1.00 60.33 C ATOM 879 C CYS A 57 0.212 3.947 9.695 1.00 65.32 C ATOM 880 O CYS A 57 -0.994 4.074 9.904 1.00 51.34 O ATOM 881 CB CYS A 57 1.262 2.877 7.691 1.00 13.20 C ATOM 882 SG CYS A 57 2.051 3.056 6.074 1.00 13.44 S ATOM 0 H CYS A 57 2.758 4.826 7.921 1.00 63.44 H new ATOM 0 HA CYS A 57 0.016 4.629 7.679 1.00 60.33 H new ATOM 0 HB2 CYS A 57 1.963 2.397 8.374 1.00 13.20 H new ATOM 0 HB3 CYS A 57 0.405 2.211 7.593 1.00 13.20 H new ATOM 0 HG CYS A 57 2.413 1.887 5.636 1.00 13.44 H new ATOM 888 N ARG A 58 1.077 3.589 10.638 1.00 14.31 N ATOM 889 CA ARG A 58 0.647 3.318 12.005 1.00 21.22 C ATOM 890 C ARG A 58 -0.262 4.430 12.520 1.00 73.54 C ATOM 891 O ARG A 58 -1.236 4.170 13.225 1.00 53.33 O ATOM 892 CB ARG A 58 1.861 3.169 12.924 1.00 43.43 C ATOM 893 CG ARG A 58 1.857 1.886 13.737 1.00 35.01 C ATOM 894 CD ARG A 58 3.270 1.424 14.057 1.00 61.24 C ATOM 895 NE ARG A 58 3.803 2.076 15.250 1.00 55.23 N ATOM 896 CZ ARG A 58 3.443 1.752 16.486 1.00 11.45 C ATOM 897 NH1 ARG A 58 2.555 0.789 16.692 1.00 64.53 N ATOM 898 NH2 ARG A 58 3.972 2.392 17.522 1.00 34.43 N ATOM 0 H ARG A 58 2.079 3.480 10.481 1.00 14.31 H new ATOM 0 HA ARG A 58 0.084 2.384 12.004 1.00 21.22 H new ATOM 0 HB2 ARG A 58 2.768 3.204 12.321 1.00 43.43 H new ATOM 0 HB3 ARG A 58 1.897 4.020 13.604 1.00 43.43 H new ATOM 0 HG2 ARG A 58 1.306 2.043 14.664 1.00 35.01 H new ATOM 0 HG3 ARG A 58 1.334 1.105 13.184 1.00 35.01 H new ATOM 0 HD2 ARG A 58 3.274 0.344 14.202 1.00 61.24 H new ATOM 0 HD3 ARG A 58 3.921 1.634 13.208 1.00 61.24 H new ATOM 0 HE ARG A 58 4.489 2.821 15.127 1.00 55.23 H new ATOM 0 HH11 ARG A 58 2.146 0.294 15.899 1.00 64.53 H new ATOM 0 HH12 ARG A 58 2.281 0.543 17.643 1.00 64.53 H new ATOM 0 HH21 ARG A 58 4.656 3.133 17.369 1.00 34.43 H new ATOM 0 HH22 ARG A 58 3.695 2.142 18.471 1.00 34.43 H new ATOM 912 N GLN A 59 0.066 5.668 12.163 1.00 31.52 N ATOM 913 CA GLN A 59 -0.721 6.819 12.590 1.00 35.54 C ATOM 914 C GLN A 59 -2.001 6.937 11.770 1.00 1.20 C ATOM 915 O GLN A 59 -3.042 7.346 12.284 1.00 55.54 O ATOM 916 CB GLN A 59 0.102 8.101 12.462 1.00 22.04 C ATOM 917 CG GLN A 59 0.357 8.795 13.790 1.00 23.34 C ATOM 918 CD GLN A 59 0.827 10.226 13.620 1.00 12.34 C ATOM 919 OE1 GLN A 59 0.024 11.160 13.624 1.00 22.11 O ATOM 920 NE2 GLN A 59 2.134 10.407 13.471 1.00 71.23 N ATOM 0 H GLN A 59 0.870 5.899 11.580 1.00 31.52 H new ATOM 0 HA GLN A 59 -0.994 6.674 13.635 1.00 35.54 H new ATOM 0 HB2 GLN A 59 1.058 7.864 11.996 1.00 22.04 H new ATOM 0 HB3 GLN A 59 -0.416 8.790 11.795 1.00 22.04 H new ATOM 0 HG2 GLN A 59 -0.558 8.785 14.382 1.00 23.34 H new ATOM 0 HG3 GLN A 59 1.106 8.235 14.350 1.00 23.34 H new ATOM 0 HE21 GLN A 59 2.764 9.604 13.474 1.00 71.23 H new ATOM 0 HE22 GLN A 59 2.508 11.349 13.354 1.00 71.23 H new ATOM 929 N ILE A 60 -1.916 6.579 10.494 1.00 20.40 N ATOM 930 CA ILE A 60 -3.068 6.645 9.604 1.00 64.25 C ATOM 931 C ILE A 60 -4.104 5.587 9.965 1.00 35.13 C ATOM 932 O ILE A 60 -5.306 5.795 9.793 1.00 11.21 O ATOM 933 CB ILE A 60 -2.653 6.459 8.131 1.00 1.15 C ATOM 934 CG1 ILE A 60 -1.627 7.521 7.730 1.00 52.03 C ATOM 935 CG2 ILE A 60 -3.873 6.524 7.225 1.00 32.12 C ATOM 936 CD1 ILE A 60 -0.661 7.055 6.663 1.00 32.33 C ATOM 0 H ILE A 60 -1.061 6.240 10.053 1.00 20.40 H new ATOM 0 HA ILE A 60 -3.506 7.636 9.728 1.00 64.25 H new ATOM 0 HB ILE A 60 -2.194 5.477 8.019 1.00 1.15 H new ATOM 0 HG12 ILE A 60 -2.153 8.406 7.371 1.00 52.03 H new ATOM 0 HG13 ILE A 60 -1.063 7.822 8.613 1.00 52.03 H new ATOM 0 HG21 ILE A 60 -3.564 6.391 6.188 1.00 32.12 H new ATOM 0 HG22 ILE A 60 -4.572 5.734 7.499 1.00 32.12 H new ATOM 0 HG23 ILE A 60 -4.358 7.493 7.337 1.00 32.12 H new ATOM 0 HD11 ILE A 60 0.037 7.859 6.428 1.00 32.33 H new ATOM 0 HD12 ILE A 60 -0.108 6.189 7.026 1.00 32.33 H new ATOM 0 HD13 ILE A 60 -1.215 6.782 5.765 1.00 32.33 H new ATOM 948 N LEU A 61 -3.632 4.452 10.469 1.00 70.24 N ATOM 949 CA LEU A 61 -4.518 3.361 10.858 1.00 71.22 C ATOM 950 C LEU A 61 -5.124 3.615 12.235 1.00 64.04 C ATOM 951 O LEU A 61 -6.257 3.224 12.508 1.00 55.44 O ATOM 952 CB LEU A 61 -3.755 2.034 10.861 1.00 41.23 C ATOM 953 CG LEU A 61 -3.171 1.593 9.519 1.00 55.41 C ATOM 954 CD1 LEU A 61 -1.941 0.724 9.731 1.00 14.05 C ATOM 955 CD2 LEU A 61 -4.217 0.850 8.700 1.00 3.44 C ATOM 0 H LEU A 61 -2.641 4.263 10.618 1.00 70.24 H new ATOM 0 HA LEU A 61 -5.327 3.307 10.130 1.00 71.22 H new ATOM 0 HB2 LEU A 61 -2.941 2.108 11.582 1.00 41.23 H new ATOM 0 HB3 LEU A 61 -4.426 1.253 11.217 1.00 41.23 H new ATOM 0 HG LEU A 61 -2.870 2.483 8.966 1.00 55.41 H new ATOM 0 HD11 LEU A 61 -1.539 0.420 8.764 1.00 14.05 H new ATOM 0 HD12 LEU A 61 -1.185 1.290 10.276 1.00 14.05 H new ATOM 0 HD13 LEU A 61 -2.215 -0.161 10.305 1.00 14.05 H new ATOM 0 HD21 LEU A 61 -3.783 0.544 7.748 1.00 3.44 H new ATOM 0 HD22 LEU A 61 -4.549 -0.032 9.248 1.00 3.44 H new ATOM 0 HD23 LEU A 61 -5.069 1.505 8.517 1.00 3.44 H new ATOM 967 N GLY A 62 -4.359 4.275 13.099 1.00 21.00 N ATOM 968 CA GLY A 62 -4.838 4.573 14.436 1.00 23.12 C ATOM 969 C GLY A 62 -6.068 5.459 14.428 1.00 23.10 C ATOM 970 O GLY A 62 -6.907 5.375 15.324 1.00 25.54 O ATOM 0 H GLY A 62 -3.416 4.609 12.897 1.00 21.00 H new ATOM 0 HA2 GLY A 62 -5.069 3.641 14.952 1.00 23.12 H new ATOM 0 HA3 GLY A 62 -4.045 5.062 15.002 1.00 23.12 H new ATOM 974 N GLN A 63 -6.173 6.313 13.415 1.00 21.01 N ATOM 975 CA GLN A 63 -7.308 7.220 13.296 1.00 72.01 C ATOM 976 C GLN A 63 -8.560 6.470 12.852 1.00 4.41 C ATOM 977 O GLN A 63 -9.611 6.565 13.487 1.00 45.01 O ATOM 978 CB GLN A 63 -6.991 8.341 12.304 1.00 23.41 C ATOM 979 CG GLN A 63 -6.743 9.687 12.965 1.00 30.23 C ATOM 980 CD GLN A 63 -5.573 10.431 12.352 1.00 42.53 C ATOM 981 OE1 GLN A 63 -5.151 10.135 11.234 1.00 52.03 O ATOM 982 NE2 GLN A 63 -5.042 11.405 13.082 1.00 32.40 N ATOM 0 H GLN A 63 -5.486 6.396 12.665 1.00 21.01 H new ATOM 0 HA GLN A 63 -7.497 7.656 14.277 1.00 72.01 H new ATOM 0 HB2 GLN A 63 -6.111 8.063 11.724 1.00 23.41 H new ATOM 0 HB3 GLN A 63 -7.819 8.438 11.601 1.00 23.41 H new ATOM 0 HG2 GLN A 63 -7.641 10.299 12.883 1.00 30.23 H new ATOM 0 HG3 GLN A 63 -6.556 9.537 14.028 1.00 30.23 H new ATOM 0 HE21 GLN A 63 -5.423 11.617 14.004 1.00 32.40 H new ATOM 0 HE22 GLN A 63 -4.253 11.941 12.721 1.00 32.40 H new ATOM 991 N LEU A 64 -8.441 5.726 11.758 1.00 41.53 N ATOM 992 CA LEU A 64 -9.563 4.961 11.227 1.00 0.02 C ATOM 993 C LEU A 64 -9.848 3.740 12.097 1.00 62.12 C ATOM 994 O LEU A 64 -10.911 3.129 11.995 1.00 71.10 O ATOM 995 CB LEU A 64 -9.273 4.521 9.791 1.00 0.31 C ATOM 996 CG LEU A 64 -8.599 5.560 8.894 1.00 11.43 C ATOM 997 CD1 LEU A 64 -8.209 4.942 7.561 1.00 52.43 C ATOM 998 CD2 LEU A 64 -9.515 6.757 8.683 1.00 41.43 C ATOM 0 H LEU A 64 -7.578 5.636 11.221 1.00 41.53 H new ATOM 0 HA LEU A 64 -10.444 5.603 11.232 1.00 0.02 H new ATOM 0 HB2 LEU A 64 -8.640 3.634 9.825 1.00 0.31 H new ATOM 0 HB3 LEU A 64 -10.213 4.224 9.326 1.00 0.31 H new ATOM 0 HG LEU A 64 -7.692 5.906 9.389 1.00 11.43 H new ATOM 0 HD11 LEU A 64 -7.731 5.696 6.936 1.00 52.43 H new ATOM 0 HD12 LEU A 64 -7.515 4.119 7.731 1.00 52.43 H new ATOM 0 HD13 LEU A 64 -9.101 4.567 7.059 1.00 52.43 H new ATOM 0 HD21 LEU A 64 -9.019 7.486 8.042 1.00 41.43 H new ATOM 0 HD22 LEU A 64 -10.440 6.428 8.210 1.00 41.43 H new ATOM 0 HD23 LEU A 64 -9.743 7.215 9.646 1.00 41.43 H new ATOM 1010 N GLN A 65 -8.892 3.393 12.951 1.00 22.34 N ATOM 1011 CA GLN A 65 -9.042 2.246 13.840 1.00 71.14 C ATOM 1012 C GLN A 65 -10.324 2.355 14.659 1.00 54.04 C ATOM 1013 O GLN A 65 -11.232 1.532 14.547 1.00 32.32 O ATOM 1014 CB GLN A 65 -7.835 2.136 14.774 1.00 63.24 C ATOM 1015 CG GLN A 65 -6.977 0.907 14.516 1.00 11.53 C ATOM 1016 CD GLN A 65 -5.923 0.696 15.586 1.00 54.42 C ATOM 1017 OE1 GLN A 65 -5.511 1.640 16.260 1.00 3.03 O ATOM 1018 NE2 GLN A 65 -5.484 -0.546 15.747 1.00 22.23 N ATOM 0 H GLN A 65 -8.006 3.889 13.047 1.00 22.34 H new ATOM 0 HA GLN A 65 -9.100 1.348 13.225 1.00 71.14 H new ATOM 0 HB2 GLN A 65 -7.219 3.029 14.665 1.00 63.24 H new ATOM 0 HB3 GLN A 65 -8.185 2.115 15.806 1.00 63.24 H new ATOM 0 HG2 GLN A 65 -7.617 0.026 14.463 1.00 11.53 H new ATOM 0 HG3 GLN A 65 -6.490 1.006 13.546 1.00 11.53 H new ATOM 0 HE21 GLN A 65 -5.855 -1.297 15.165 1.00 22.23 H new ATOM 0 HE22 GLN A 65 -4.776 -0.749 16.453 1.00 22.23 H new ATOM 1027 N PRO A 66 -10.402 3.395 15.501 1.00 0.22 N ATOM 1028 CA PRO A 66 -11.568 3.636 16.356 1.00 54.53 C ATOM 1029 C PRO A 66 -12.793 4.068 15.555 1.00 24.43 C ATOM 1030 O PRO A 66 -13.866 4.291 16.116 1.00 21.51 O ATOM 1031 CB PRO A 66 -11.106 4.768 17.277 1.00 41.41 C ATOM 1032 CG PRO A 66 -10.043 5.473 16.507 1.00 23.11 C ATOM 1033 CD PRO A 66 -9.356 4.416 15.686 1.00 52.25 C ATOM 0 HA PRO A 66 -11.877 2.736 16.887 1.00 54.53 H new ATOM 0 HB2 PRO A 66 -11.929 5.440 17.522 1.00 41.41 H new ATOM 0 HB3 PRO A 66 -10.720 4.379 18.219 1.00 41.41 H new ATOM 0 HG2 PRO A 66 -10.471 6.246 15.869 1.00 23.11 H new ATOM 0 HG3 PRO A 66 -9.338 5.966 17.176 1.00 23.11 H new ATOM 0 HD2 PRO A 66 -9.007 4.812 14.732 1.00 52.25 H new ATOM 0 HD3 PRO A 66 -8.485 4.010 16.201 1.00 52.25 H new ATOM 1041 N SER A 67 -12.625 4.184 14.242 1.00 40.14 N ATOM 1042 CA SER A 67 -13.716 4.591 13.364 1.00 11.35 C ATOM 1043 C SER A 67 -14.225 3.410 12.545 1.00 62.24 C ATOM 1044 O SER A 67 -15.279 3.486 11.913 1.00 51.14 O ATOM 1045 CB SER A 67 -13.257 5.715 12.433 1.00 22.02 C ATOM 1046 OG SER A 67 -12.585 6.733 13.154 1.00 41.14 O ATOM 0 H SER A 67 -11.743 4.002 13.762 1.00 40.14 H new ATOM 0 HA SER A 67 -14.533 4.956 13.986 1.00 11.35 H new ATOM 0 HB2 SER A 67 -12.595 5.310 11.668 1.00 22.02 H new ATOM 0 HB3 SER A 67 -14.119 6.139 11.917 1.00 22.02 H new ATOM 0 HG SER A 67 -11.625 6.538 13.177 1.00 41.14 H new ATOM 1052 N LEU A 68 -13.467 2.319 12.558 1.00 33.11 N ATOM 1053 CA LEU A 68 -13.840 1.119 11.816 1.00 3.53 C ATOM 1054 C LEU A 68 -15.190 0.587 12.285 1.00 30.42 C ATOM 1055 O LEU A 68 -15.844 -0.180 11.578 1.00 51.15 O ATOM 1056 CB LEU A 68 -12.768 0.041 11.980 1.00 22.45 C ATOM 1057 CG LEU A 68 -11.567 0.138 11.038 1.00 15.13 C ATOM 1058 CD1 LEU A 68 -10.306 -0.361 11.726 1.00 32.14 C ATOM 1059 CD2 LEU A 68 -11.827 -0.647 9.761 1.00 30.43 C ATOM 0 H LEU A 68 -12.591 2.240 13.074 1.00 33.11 H new ATOM 0 HA LEU A 68 -13.922 1.383 10.762 1.00 3.53 H new ATOM 0 HB2 LEU A 68 -12.403 0.074 13.006 1.00 22.45 H new ATOM 0 HB3 LEU A 68 -13.237 -0.933 11.839 1.00 22.45 H new ATOM 0 HG LEU A 68 -11.421 1.185 10.774 1.00 15.13 H new ATOM 0 HD11 LEU A 68 -9.462 -0.284 11.040 1.00 32.14 H new ATOM 0 HD12 LEU A 68 -10.110 0.245 12.611 1.00 32.14 H new ATOM 0 HD13 LEU A 68 -10.440 -1.402 12.021 1.00 32.14 H new ATOM 0 HD21 LEU A 68 -10.962 -0.567 9.102 1.00 30.43 H new ATOM 0 HD22 LEU A 68 -12.000 -1.695 10.007 1.00 30.43 H new ATOM 0 HD23 LEU A 68 -12.705 -0.242 9.258 1.00 30.43 H new ATOM 1071 N GLN A 69 -15.601 0.998 13.479 1.00 5.53 N ATOM 1072 CA GLN A 69 -16.874 0.563 14.042 1.00 62.05 C ATOM 1073 C GLN A 69 -18.011 0.784 13.049 1.00 53.44 C ATOM 1074 O GLN A 69 -18.862 -0.084 12.859 1.00 61.53 O ATOM 1075 CB GLN A 69 -17.165 1.312 15.343 1.00 3.02 C ATOM 1076 CG GLN A 69 -18.060 0.543 16.300 1.00 15.23 C ATOM 1077 CD GLN A 69 -17.372 -0.668 16.898 1.00 60.31 C ATOM 1078 OE1 GLN A 69 -17.836 -1.799 16.744 1.00 31.12 O ATOM 1079 NE2 GLN A 69 -16.258 -0.438 17.584 1.00 73.53 N ATOM 0 H GLN A 69 -15.071 1.632 14.076 1.00 5.53 H new ATOM 0 HA GLN A 69 -16.802 -0.504 14.255 1.00 62.05 H new ATOM 0 HB2 GLN A 69 -16.222 1.537 15.842 1.00 3.02 H new ATOM 0 HB3 GLN A 69 -17.636 2.266 15.106 1.00 3.02 H new ATOM 0 HG2 GLN A 69 -18.382 1.206 17.103 1.00 15.23 H new ATOM 0 HG3 GLN A 69 -18.958 0.222 15.773 1.00 15.23 H new ATOM 0 HE21 GLN A 69 -15.910 0.515 17.686 1.00 73.53 H new ATOM 0 HE22 GLN A 69 -15.751 -1.215 18.008 1.00 73.53 H new ATOM 1088 N THR A 70 -18.019 1.955 12.418 1.00 73.43 N ATOM 1089 CA THR A 70 -19.052 2.291 11.446 1.00 0.40 C ATOM 1090 C THR A 70 -18.478 3.107 10.293 1.00 62.24 C ATOM 1091 O THR A 70 -19.094 4.066 9.830 1.00 24.33 O ATOM 1092 CB THR A 70 -20.200 3.085 12.098 1.00 13.33 C ATOM 1093 OG1 THR A 70 -20.325 2.721 13.478 1.00 32.22 O ATOM 1094 CG2 THR A 70 -21.515 2.825 11.379 1.00 14.44 C ATOM 0 H THR A 70 -17.322 2.686 12.563 1.00 73.43 H new ATOM 0 HA THR A 70 -19.443 1.349 11.062 1.00 0.40 H new ATOM 0 HB THR A 70 -19.967 4.147 12.022 1.00 13.33 H new ATOM 0 HG1 THR A 70 -21.056 3.231 13.886 1.00 32.22 H new ATOM 0 HG21 THR A 70 -22.310 3.396 11.857 1.00 14.44 H new ATOM 0 HG22 THR A 70 -21.426 3.130 10.336 1.00 14.44 H new ATOM 0 HG23 THR A 70 -21.752 1.762 11.427 1.00 14.44 H new ATOM 1102 N GLY A 71 -17.292 2.717 9.832 1.00 15.14 N ATOM 1103 CA GLY A 71 -16.655 3.423 8.736 1.00 75.12 C ATOM 1104 C GLY A 71 -17.182 2.987 7.383 1.00 41.33 C ATOM 1105 O GLY A 71 -17.350 1.795 7.129 1.00 51.41 O ATOM 0 H GLY A 71 -16.762 1.926 10.198 1.00 15.14 H new ATOM 0 HA2 GLY A 71 -16.814 4.495 8.857 1.00 75.12 H new ATOM 0 HA3 GLY A 71 -15.579 3.254 8.775 1.00 75.12 H new ATOM 1109 N SER A 72 -17.443 3.957 6.512 1.00 40.12 N ATOM 1110 CA SER A 72 -17.959 3.668 5.178 1.00 21.41 C ATOM 1111 C SER A 72 -17.039 2.704 4.437 1.00 62.44 C ATOM 1112 O SER A 72 -15.970 2.345 4.932 1.00 71.12 O ATOM 1113 CB SER A 72 -18.113 4.962 4.377 1.00 40.14 C ATOM 1114 OG SER A 72 -16.948 5.232 3.616 1.00 3.01 O ATOM 0 H SER A 72 -17.306 4.949 6.706 1.00 40.12 H new ATOM 0 HA SER A 72 -18.936 3.198 5.287 1.00 21.41 H new ATOM 0 HB2 SER A 72 -18.974 4.883 3.714 1.00 40.14 H new ATOM 0 HB3 SER A 72 -18.309 5.792 5.055 1.00 40.14 H new ATOM 0 HG SER A 72 -17.203 5.473 2.701 1.00 3.01 H new ATOM 1120 N GLU A 73 -17.461 2.288 3.247 1.00 14.02 N ATOM 1121 CA GLU A 73 -16.676 1.364 2.438 1.00 41.22 C ATOM 1122 C GLU A 73 -15.303 1.950 2.123 1.00 30.32 C ATOM 1123 O GLU A 73 -14.317 1.221 2.012 1.00 54.11 O ATOM 1124 CB GLU A 73 -17.413 1.036 1.137 1.00 10.43 C ATOM 1125 CG GLU A 73 -16.814 -0.134 0.377 1.00 74.12 C ATOM 1126 CD GLU A 73 -17.214 -1.475 0.961 1.00 62.32 C ATOM 1127 OE1 GLU A 73 -17.541 -1.526 2.165 1.00 51.32 O ATOM 1128 OE2 GLU A 73 -17.198 -2.476 0.212 1.00 15.04 O ATOM 0 H GLU A 73 -18.342 2.577 2.822 1.00 14.02 H new ATOM 0 HA GLU A 73 -16.539 0.446 3.010 1.00 41.22 H new ATOM 0 HB2 GLU A 73 -18.455 0.814 1.366 1.00 10.43 H new ATOM 0 HB3 GLU A 73 -17.408 1.917 0.495 1.00 10.43 H new ATOM 0 HG2 GLU A 73 -17.131 -0.086 -0.665 1.00 74.12 H new ATOM 0 HG3 GLU A 73 -15.727 -0.049 0.384 1.00 74.12 H new ATOM 1135 N GLU A 74 -15.247 3.270 1.979 1.00 54.40 N ATOM 1136 CA GLU A 74 -13.996 3.953 1.675 1.00 3.25 C ATOM 1137 C GLU A 74 -12.958 3.699 2.766 1.00 13.01 C ATOM 1138 O GLU A 74 -11.831 3.292 2.483 1.00 3.14 O ATOM 1139 CB GLU A 74 -14.233 5.456 1.523 1.00 51.32 C ATOM 1140 CG GLU A 74 -14.916 5.836 0.219 1.00 64.23 C ATOM 1141 CD GLU A 74 -16.342 5.330 0.138 1.00 33.43 C ATOM 1142 OE1 GLU A 74 -16.539 4.185 -0.322 1.00 14.43 O ATOM 1143 OE2 GLU A 74 -17.260 6.076 0.535 1.00 14.53 O ATOM 0 H GLU A 74 -16.054 3.888 2.068 1.00 54.40 H new ATOM 0 HA GLU A 74 -13.615 3.556 0.734 1.00 3.25 H new ATOM 0 HB2 GLU A 74 -14.841 5.806 2.357 1.00 51.32 H new ATOM 0 HB3 GLU A 74 -13.276 5.974 1.587 1.00 51.32 H new ATOM 0 HG2 GLU A 74 -14.913 6.921 0.115 1.00 64.23 H new ATOM 0 HG3 GLU A 74 -14.344 5.434 -0.617 1.00 64.23 H new ATOM 1150 N LEU A 75 -13.348 3.942 4.013 1.00 55.43 N ATOM 1151 CA LEU A 75 -12.454 3.740 5.147 1.00 3.50 C ATOM 1152 C LEU A 75 -11.947 2.302 5.192 1.00 4.11 C ATOM 1153 O LEU A 75 -10.768 2.057 5.446 1.00 41.13 O ATOM 1154 CB LEU A 75 -13.171 4.082 6.454 1.00 64.32 C ATOM 1155 CG LEU A 75 -12.296 4.125 7.708 1.00 51.22 C ATOM 1156 CD1 LEU A 75 -12.707 5.282 8.606 1.00 25.30 C ATOM 1157 CD2 LEU A 75 -12.380 2.806 8.462 1.00 63.31 C ATOM 0 H LEU A 75 -14.277 4.279 4.264 1.00 55.43 H new ATOM 0 HA LEU A 75 -11.598 4.403 5.026 1.00 3.50 H new ATOM 0 HB2 LEU A 75 -13.653 5.053 6.338 1.00 64.32 H new ATOM 0 HB3 LEU A 75 -13.963 3.350 6.613 1.00 64.32 H new ATOM 0 HG LEU A 75 -11.262 4.280 7.401 1.00 51.22 H new ATOM 0 HD11 LEU A 75 -12.074 5.297 9.493 1.00 25.30 H new ATOM 0 HD12 LEU A 75 -12.594 6.221 8.064 1.00 25.30 H new ATOM 0 HD13 LEU A 75 -13.748 5.158 8.905 1.00 25.30 H new ATOM 0 HD21 LEU A 75 -11.751 2.855 9.351 1.00 63.31 H new ATOM 0 HD22 LEU A 75 -13.413 2.621 8.757 1.00 63.31 H new ATOM 0 HD23 LEU A 75 -12.036 1.996 7.818 1.00 63.31 H new ATOM 1169 N ARG A 76 -12.845 1.356 4.942 1.00 32.12 N ATOM 1170 CA ARG A 76 -12.490 -0.058 4.953 1.00 23.34 C ATOM 1171 C ARG A 76 -11.366 -0.343 3.961 1.00 71.41 C ATOM 1172 O ARG A 76 -10.438 -1.096 4.258 1.00 1.03 O ATOM 1173 CB ARG A 76 -13.710 -0.916 4.618 1.00 75.23 C ATOM 1174 CG ARG A 76 -14.360 -1.553 5.835 1.00 22.24 C ATOM 1175 CD ARG A 76 -14.589 -3.043 5.629 1.00 64.14 C ATOM 1176 NE ARG A 76 -15.763 -3.522 6.353 1.00 43.32 N ATOM 1177 CZ ARG A 76 -17.012 -3.298 5.958 1.00 25.20 C ATOM 1178 NH1 ARG A 76 -17.247 -2.606 4.852 1.00 71.04 N ATOM 1179 NH2 ARG A 76 -18.028 -3.767 6.671 1.00 10.11 N ATOM 0 H ARG A 76 -13.825 1.543 4.729 1.00 32.12 H new ATOM 0 HA ARG A 76 -12.142 -0.311 5.954 1.00 23.34 H new ATOM 0 HB2 ARG A 76 -14.447 -0.299 4.104 1.00 75.23 H new ATOM 0 HB3 ARG A 76 -13.412 -1.701 3.923 1.00 75.23 H new ATOM 0 HG2 ARG A 76 -13.728 -1.398 6.709 1.00 22.24 H new ATOM 0 HG3 ARG A 76 -15.312 -1.062 6.039 1.00 22.24 H new ATOM 0 HD2 ARG A 76 -14.711 -3.247 4.565 1.00 64.14 H new ATOM 0 HD3 ARG A 76 -13.709 -3.594 5.961 1.00 64.14 H new ATOM 0 HE ARG A 76 -15.617 -4.058 7.209 1.00 43.32 H new ATOM 0 HH11 ARG A 76 -16.468 -2.244 4.302 1.00 71.04 H new ATOM 0 HH12 ARG A 76 -18.207 -2.436 4.551 1.00 71.04 H new ATOM 0 HH21 ARG A 76 -17.851 -4.300 7.523 1.00 10.11 H new ATOM 0 HH22 ARG A 76 -18.986 -3.595 6.368 1.00 10.11 H new ATOM 1193 N SER A 77 -11.457 0.262 2.782 1.00 43.13 N ATOM 1194 CA SER A 77 -10.450 0.069 1.744 1.00 50.13 C ATOM 1195 C SER A 77 -9.091 0.588 2.203 1.00 71.15 C ATOM 1196 O SER A 77 -8.094 -0.134 2.169 1.00 63.44 O ATOM 1197 CB SER A 77 -10.872 0.781 0.456 1.00 30.13 C ATOM 1198 OG SER A 77 -11.815 0.010 -0.266 1.00 55.44 O ATOM 0 H SER A 77 -12.217 0.890 2.521 1.00 43.13 H new ATOM 0 HA SER A 77 -10.365 -1.000 1.549 1.00 50.13 H new ATOM 0 HB2 SER A 77 -11.301 1.753 0.698 1.00 30.13 H new ATOM 0 HB3 SER A 77 -9.996 0.965 -0.166 1.00 30.13 H new ATOM 0 HG SER A 77 -12.070 0.487 -1.083 1.00 55.44 H new ATOM 1204 N LEU A 78 -9.058 1.845 2.632 1.00 40.12 N ATOM 1205 CA LEU A 78 -7.822 2.462 3.098 1.00 71.10 C ATOM 1206 C LEU A 78 -7.133 1.583 4.139 1.00 52.55 C ATOM 1207 O LEU A 78 -5.961 1.235 3.993 1.00 74.55 O ATOM 1208 CB LEU A 78 -8.109 3.842 3.690 1.00 53.30 C ATOM 1209 CG LEU A 78 -7.748 5.039 2.809 1.00 14.21 C ATOM 1210 CD1 LEU A 78 -6.301 4.948 2.353 1.00 45.14 C ATOM 1211 CD2 LEU A 78 -8.683 5.121 1.612 1.00 53.15 C ATOM 0 H LEU A 78 -9.874 2.457 2.667 1.00 40.12 H new ATOM 0 HA LEU A 78 -7.155 2.572 2.243 1.00 71.10 H new ATOM 0 HB2 LEU A 78 -9.171 3.899 3.929 1.00 53.30 H new ATOM 0 HB3 LEU A 78 -7.566 3.932 4.631 1.00 53.30 H new ATOM 0 HG LEU A 78 -7.865 5.949 3.398 1.00 14.21 H new ATOM 0 HD11 LEU A 78 -6.062 5.808 1.727 1.00 45.14 H new ATOM 0 HD12 LEU A 78 -5.645 4.939 3.224 1.00 45.14 H new ATOM 0 HD13 LEU A 78 -6.157 4.032 1.781 1.00 45.14 H new ATOM 0 HD21 LEU A 78 -8.411 5.978 0.996 1.00 53.15 H new ATOM 0 HD22 LEU A 78 -8.599 4.209 1.021 1.00 53.15 H new ATOM 0 HD23 LEU A 78 -9.710 5.235 1.960 1.00 53.15 H new ATOM 1223 N TYR A 79 -7.869 1.228 5.186 1.00 44.52 N ATOM 1224 CA TYR A 79 -7.329 0.391 6.250 1.00 74.31 C ATOM 1225 C TYR A 79 -6.669 -0.859 5.678 1.00 53.03 C ATOM 1226 O TYR A 79 -5.485 -1.105 5.899 1.00 63.53 O ATOM 1227 CB TYR A 79 -8.438 -0.005 7.227 1.00 65.41 C ATOM 1228 CG TYR A 79 -7.939 -0.296 8.624 1.00 3.22 C ATOM 1229 CD1 TYR A 79 -7.347 0.701 9.392 1.00 32.34 C ATOM 1230 CD2 TYR A 79 -8.057 -1.564 9.176 1.00 61.40 C ATOM 1231 CE1 TYR A 79 -6.888 0.440 10.669 1.00 31.02 C ATOM 1232 CE2 TYR A 79 -7.602 -1.834 10.453 1.00 55.54 C ATOM 1233 CZ TYR A 79 -7.019 -0.829 11.195 1.00 12.42 C ATOM 1234 OH TYR A 79 -6.563 -1.092 12.467 1.00 14.11 O ATOM 0 H TYR A 79 -8.841 1.507 5.320 1.00 44.52 H new ATOM 0 HA TYR A 79 -6.572 0.967 6.783 1.00 74.31 H new ATOM 0 HB2 TYR A 79 -9.174 0.798 7.273 1.00 65.41 H new ATOM 0 HB3 TYR A 79 -8.951 -0.886 6.843 1.00 65.41 H new ATOM 0 HD1 TYR A 79 -7.244 1.696 8.984 1.00 32.34 H new ATOM 0 HD2 TYR A 79 -8.513 -2.354 8.597 1.00 61.40 H new ATOM 0 HE1 TYR A 79 -6.429 1.225 11.252 1.00 31.02 H new ATOM 0 HE2 TYR A 79 -7.703 -2.826 10.867 1.00 55.54 H new ATOM 0 HH TYR A 79 -6.732 -2.032 12.687 1.00 14.11 H new ATOM 1244 N ASN A 80 -7.447 -1.646 4.940 1.00 4.42 N ATOM 1245 CA ASN A 80 -6.938 -2.872 4.334 1.00 11.52 C ATOM 1246 C ASN A 80 -5.647 -2.604 3.566 1.00 72.41 C ATOM 1247 O ASN A 80 -4.650 -3.305 3.743 1.00 1.41 O ATOM 1248 CB ASN A 80 -7.986 -3.475 3.398 1.00 55.33 C ATOM 1249 CG ASN A 80 -8.742 -4.623 4.039 1.00 54.34 C ATOM 1250 OD1 ASN A 80 -8.776 -4.752 5.263 1.00 13.15 O ATOM 1251 ND2 ASN A 80 -9.351 -5.465 3.212 1.00 14.13 N ATOM 0 H ASN A 80 -8.431 -1.457 4.748 1.00 4.42 H new ATOM 0 HA ASN A 80 -6.723 -3.581 5.133 1.00 11.52 H new ATOM 0 HB2 ASN A 80 -8.692 -2.700 3.100 1.00 55.33 H new ATOM 0 HB3 ASN A 80 -7.498 -3.827 2.489 1.00 55.33 H new ATOM 0 HD21 ASN A 80 -9.874 -6.258 3.585 1.00 14.13 H new ATOM 0 HD22 ASN A 80 -9.296 -5.319 2.204 1.00 14.13 H new ATOM 1258 N THR A 81 -5.673 -1.586 2.712 1.00 70.24 N ATOM 1259 CA THR A 81 -4.507 -1.226 1.916 1.00 11.53 C ATOM 1260 C THR A 81 -3.333 -0.836 2.807 1.00 64.44 C ATOM 1261 O THR A 81 -2.312 -1.525 2.840 1.00 0.14 O ATOM 1262 CB THR A 81 -4.818 -0.060 0.958 1.00 73.44 C ATOM 1263 OG1 THR A 81 -5.989 -0.359 0.189 1.00 12.13 O ATOM 1264 CG2 THR A 81 -3.645 0.201 0.025 1.00 14.24 C ATOM 0 H THR A 81 -6.490 -0.996 2.554 1.00 70.24 H new ATOM 0 HA THR A 81 -4.240 -2.106 1.331 1.00 11.53 H new ATOM 0 HB THR A 81 -4.993 0.836 1.554 1.00 73.44 H new ATOM 0 HG1 THR A 81 -6.786 -0.236 0.746 1.00 12.13 H new ATOM 0 HG21 THR A 81 -3.888 1.028 -0.642 1.00 14.24 H new ATOM 0 HG22 THR A 81 -2.763 0.455 0.612 1.00 14.24 H new ATOM 0 HG23 THR A 81 -3.443 -0.693 -0.565 1.00 14.24 H new ATOM 1272 N ILE A 82 -3.484 0.270 3.526 1.00 20.15 N ATOM 1273 CA ILE A 82 -2.436 0.749 4.420 1.00 41.23 C ATOM 1274 C ILE A 82 -1.824 -0.399 5.215 1.00 72.01 C ATOM 1275 O ILE A 82 -0.612 -0.448 5.421 1.00 64.32 O ATOM 1276 CB ILE A 82 -2.972 1.810 5.399 1.00 11.01 C ATOM 1277 CG1 ILE A 82 -3.536 3.007 4.630 1.00 33.51 C ATOM 1278 CG2 ILE A 82 -1.872 2.255 6.350 1.00 1.35 C ATOM 1279 CD1 ILE A 82 -4.668 3.707 5.349 1.00 21.54 C ATOM 0 H ILE A 82 -4.322 0.852 3.508 1.00 20.15 H new ATOM 0 HA ILE A 82 -1.669 1.202 3.792 1.00 41.23 H new ATOM 0 HB ILE A 82 -3.777 1.368 5.986 1.00 11.01 H new ATOM 0 HG12 ILE A 82 -2.734 3.722 4.448 1.00 33.51 H new ATOM 0 HG13 ILE A 82 -3.889 2.669 3.656 1.00 33.51 H new ATOM 0 HG21 ILE A 82 -2.266 3.005 7.036 1.00 1.35 H new ATOM 0 HG22 ILE A 82 -1.513 1.397 6.918 1.00 1.35 H new ATOM 0 HG23 ILE A 82 -1.048 2.683 5.779 1.00 1.35 H new ATOM 0 HD11 ILE A 82 -5.019 4.545 4.747 1.00 21.54 H new ATOM 0 HD12 ILE A 82 -5.487 3.006 5.507 1.00 21.54 H new ATOM 0 HD13 ILE A 82 -4.315 4.075 6.312 1.00 21.54 H new ATOM 1291 N ALA A 83 -2.671 -1.321 5.659 1.00 72.41 N ATOM 1292 CA ALA A 83 -2.214 -2.472 6.429 1.00 52.04 C ATOM 1293 C ALA A 83 -1.117 -3.228 5.688 1.00 50.13 C ATOM 1294 O ALA A 83 -0.060 -3.517 6.249 1.00 61.40 O ATOM 1295 CB ALA A 83 -3.381 -3.398 6.736 1.00 63.40 C ATOM 0 H ALA A 83 -3.678 -1.294 5.499 1.00 72.41 H new ATOM 0 HA ALA A 83 -1.797 -2.107 7.368 1.00 52.04 H new ATOM 0 HB1 ALA A 83 -3.026 -4.253 7.311 1.00 63.40 H new ATOM 0 HB2 ALA A 83 -4.131 -2.858 7.314 1.00 63.40 H new ATOM 0 HB3 ALA A 83 -3.824 -3.747 5.803 1.00 63.40 H new ATOM 1301 N VAL A 84 -1.374 -3.546 4.423 1.00 40.53 N ATOM 1302 CA VAL A 84 -0.408 -4.267 3.604 1.00 72.22 C ATOM 1303 C VAL A 84 0.912 -3.510 3.514 1.00 13.41 C ATOM 1304 O VAL A 84 1.943 -3.975 4.000 1.00 72.31 O ATOM 1305 CB VAL A 84 -0.947 -4.509 2.181 1.00 53.55 C ATOM 1306 CG1 VAL A 84 0.115 -5.163 1.311 1.00 20.54 C ATOM 1307 CG2 VAL A 84 -2.208 -5.358 2.227 1.00 50.44 C ATOM 0 H VAL A 84 -2.244 -3.315 3.943 1.00 40.53 H new ATOM 0 HA VAL A 84 -0.239 -5.229 4.089 1.00 72.22 H new ATOM 0 HB VAL A 84 -1.201 -3.546 1.739 1.00 53.55 H new ATOM 0 HG11 VAL A 84 -0.284 -5.326 0.310 1.00 20.54 H new ATOM 0 HG12 VAL A 84 0.988 -4.513 1.252 1.00 20.54 H new ATOM 0 HG13 VAL A 84 0.404 -6.120 1.747 1.00 20.54 H new ATOM 0 HG21 VAL A 84 -2.575 -5.519 1.213 1.00 50.44 H new ATOM 0 HG22 VAL A 84 -1.983 -6.319 2.689 1.00 50.44 H new ATOM 0 HG23 VAL A 84 -2.971 -4.845 2.812 1.00 50.44 H new ATOM 1317 N LEU A 85 0.872 -2.337 2.889 1.00 24.34 N ATOM 1318 CA LEU A 85 2.066 -1.512 2.735 1.00 24.31 C ATOM 1319 C LEU A 85 2.909 -1.532 4.007 1.00 71.23 C ATOM 1320 O LEU A 85 4.138 -1.573 3.948 1.00 45.22 O ATOM 1321 CB LEU A 85 1.675 -0.074 2.391 1.00 23.04 C ATOM 1322 CG LEU A 85 2.820 0.938 2.336 1.00 74.11 C ATOM 1323 CD1 LEU A 85 3.697 0.685 1.121 1.00 65.04 C ATOM 1324 CD2 LEU A 85 2.276 2.358 2.317 1.00 14.42 C ATOM 0 H LEU A 85 0.027 -1.937 2.481 1.00 24.34 H new ATOM 0 HA LEU A 85 2.661 -1.925 1.920 1.00 24.31 H new ATOM 0 HB2 LEU A 85 1.172 -0.077 1.424 1.00 23.04 H new ATOM 0 HB3 LEU A 85 0.948 0.270 3.127 1.00 23.04 H new ATOM 0 HG LEU A 85 3.430 0.816 3.231 1.00 74.11 H new ATOM 0 HD11 LEU A 85 4.506 1.415 1.098 1.00 65.04 H new ATOM 0 HD12 LEU A 85 4.116 -0.320 1.177 1.00 65.04 H new ATOM 0 HD13 LEU A 85 3.099 0.778 0.215 1.00 65.04 H new ATOM 0 HD21 LEU A 85 3.105 3.065 2.278 1.00 14.42 H new ATOM 0 HD22 LEU A 85 1.642 2.493 1.441 1.00 14.42 H new ATOM 0 HD23 LEU A 85 1.690 2.535 3.219 1.00 14.42 H new ATOM 1336 N TYR A 86 2.241 -1.507 5.154 1.00 0.40 N ATOM 1337 CA TYR A 86 2.929 -1.522 6.439 1.00 51.40 C ATOM 1338 C TYR A 86 3.858 -2.727 6.547 1.00 73.03 C ATOM 1339 O TYR A 86 5.028 -2.593 6.907 1.00 10.12 O ATOM 1340 CB TYR A 86 1.914 -1.543 7.584 1.00 21.10 C ATOM 1341 CG TYR A 86 2.546 -1.448 8.955 1.00 73.20 C ATOM 1342 CD1 TYR A 86 2.950 -0.225 9.472 1.00 1.44 C ATOM 1343 CD2 TYR A 86 2.736 -2.584 9.733 1.00 53.23 C ATOM 1344 CE1 TYR A 86 3.528 -0.134 10.723 1.00 14.34 C ATOM 1345 CE2 TYR A 86 3.312 -2.502 10.986 1.00 64.11 C ATOM 1346 CZ TYR A 86 3.706 -1.275 11.476 1.00 0.31 C ATOM 1347 OH TYR A 86 4.281 -1.189 12.724 1.00 54.31 O ATOM 0 H TYR A 86 1.224 -1.476 5.221 1.00 0.40 H new ATOM 0 HA TYR A 86 3.530 -0.616 6.510 1.00 51.40 H new ATOM 0 HB2 TYR A 86 1.217 -0.715 7.456 1.00 21.10 H new ATOM 0 HB3 TYR A 86 1.331 -2.462 7.525 1.00 21.10 H new ATOM 0 HD1 TYR A 86 2.810 0.671 8.886 1.00 1.44 H new ATOM 0 HD2 TYR A 86 2.428 -3.546 9.352 1.00 53.23 H new ATOM 0 HE1 TYR A 86 3.839 0.826 11.109 1.00 14.34 H new ATOM 0 HE2 TYR A 86 3.453 -3.394 11.578 1.00 64.11 H new ATOM 0 HH TYR A 86 4.120 -2.021 13.216 1.00 54.31 H new ATOM 1357 N CYS A 87 3.329 -3.903 6.229 1.00 74.30 N ATOM 1358 CA CYS A 87 4.110 -5.134 6.289 1.00 52.34 C ATOM 1359 C CYS A 87 5.270 -5.090 5.301 1.00 61.02 C ATOM 1360 O CYS A 87 6.282 -5.767 5.484 1.00 5.35 O ATOM 1361 CB CYS A 87 3.219 -6.342 5.996 1.00 63.32 C ATOM 1362 SG CYS A 87 3.021 -6.703 4.235 1.00 22.34 S ATOM 0 H CYS A 87 2.363 -4.031 5.927 1.00 74.30 H new ATOM 0 HA CYS A 87 4.518 -5.228 7.295 1.00 52.34 H new ATOM 0 HB2 CYS A 87 3.639 -7.218 6.491 1.00 63.32 H new ATOM 0 HB3 CYS A 87 2.236 -6.169 6.433 1.00 63.32 H new ATOM 0 HG CYS A 87 2.513 -5.668 3.634 1.00 22.34 H new ATOM 1368 N VAL A 88 5.116 -4.291 4.249 1.00 73.30 N ATOM 1369 CA VAL A 88 6.150 -4.160 3.230 1.00 2.42 C ATOM 1370 C VAL A 88 7.355 -3.394 3.767 1.00 71.42 C ATOM 1371 O VAL A 88 8.502 -3.783 3.540 1.00 35.13 O ATOM 1372 CB VAL A 88 5.616 -3.440 1.978 1.00 13.50 C ATOM 1373 CG1 VAL A 88 6.707 -3.318 0.925 1.00 13.05 C ATOM 1374 CG2 VAL A 88 4.405 -4.172 1.420 1.00 73.13 C ATOM 0 H VAL A 88 4.284 -3.725 4.081 1.00 73.30 H new ATOM 0 HA VAL A 88 6.456 -5.170 2.957 1.00 2.42 H new ATOM 0 HB VAL A 88 5.306 -2.435 2.263 1.00 13.50 H new ATOM 0 HG11 VAL A 88 6.311 -2.807 0.048 1.00 13.05 H new ATOM 0 HG12 VAL A 88 7.542 -2.748 1.331 1.00 13.05 H new ATOM 0 HG13 VAL A 88 7.051 -4.312 0.641 1.00 13.05 H new ATOM 0 HG21 VAL A 88 4.040 -3.650 0.535 1.00 73.13 H new ATOM 0 HG22 VAL A 88 4.687 -5.190 1.150 1.00 73.13 H new ATOM 0 HG23 VAL A 88 3.618 -4.202 2.174 1.00 73.13 H new ATOM 1384 N HIS A 89 7.088 -2.305 4.480 1.00 42.10 N ATOM 1385 CA HIS A 89 8.151 -1.485 5.050 1.00 1.34 C ATOM 1386 C HIS A 89 8.739 -2.146 6.294 1.00 31.32 C ATOM 1387 O HIS A 89 9.964 -2.156 6.403 1.00 72.53 O ATOM 1388 CB HIS A 89 7.620 -0.095 5.402 1.00 44.22 C ATOM 1389 CG HIS A 89 7.180 0.697 4.209 1.00 62.03 C ATOM 1390 ND1 HIS A 89 7.964 0.865 3.086 1.00 11.12 N ATOM 1391 CD2 HIS A 89 6.031 1.368 3.966 1.00 12.01 C ATOM 1392 CE1 HIS A 89 7.315 1.606 2.206 1.00 32.43 C ATOM 1393 NE2 HIS A 89 6.139 1.923 2.715 1.00 51.51 N ATOM 0 H HIS A 89 6.145 -1.970 4.677 1.00 42.10 H new ATOM 0 HA HIS A 89 8.939 -1.387 4.304 1.00 1.34 H new ATOM 0 HB2 HIS A 89 6.780 -0.199 6.089 1.00 44.22 H new ATOM 0 HB3 HIS A 89 8.397 0.459 5.930 1.00 44.22 H new ATOM 0 HD1 HIS A 89 8.899 0.478 2.956 1.00 11.12 H new ATOM 0 HD2 HIS A 89 5.185 1.452 4.633 1.00 12.01 H new ATOM 0 HE1 HIS A 89 7.684 1.902 1.235 1.00 32.43 H new ATOM 1402 N GLN A 90 7.926 -2.680 7.201 1.00 53.14 N ATOM 1403 CA GLN A 90 8.442 -3.321 8.404 1.00 32.13 C ATOM 1404 C GLN A 90 8.867 -4.757 8.117 1.00 75.35 C ATOM 1405 O GLN A 90 9.492 -5.410 8.953 1.00 51.11 O ATOM 1406 CB GLN A 90 7.385 -3.301 9.510 1.00 21.24 C ATOM 1407 CG GLN A 90 7.973 -3.266 10.913 1.00 63.42 C ATOM 1408 CD GLN A 90 8.384 -4.639 11.407 1.00 30.51 C ATOM 1409 OE1 GLN A 90 7.546 -5.524 11.586 1.00 22.12 O ATOM 1410 NE2 GLN A 90 9.679 -4.825 11.632 1.00 42.35 N ATOM 0 H GLN A 90 6.909 -2.681 7.125 1.00 53.14 H new ATOM 0 HA GLN A 90 9.317 -2.763 8.736 1.00 32.13 H new ATOM 0 HB2 GLN A 90 6.743 -2.431 9.372 1.00 21.24 H new ATOM 0 HB3 GLN A 90 6.752 -4.183 9.412 1.00 21.24 H new ATOM 0 HG2 GLN A 90 8.840 -2.606 10.923 1.00 63.42 H new ATOM 0 HG3 GLN A 90 7.241 -2.841 11.599 1.00 63.42 H new ATOM 0 HE21 GLN A 90 10.339 -4.064 11.470 1.00 42.35 H new ATOM 0 HE22 GLN A 90 10.014 -5.729 11.966 1.00 42.35 H new ATOM 1419 N ARG A 91 8.522 -5.244 6.928 1.00 24.43 N ATOM 1420 CA ARG A 91 8.866 -6.604 6.531 1.00 21.33 C ATOM 1421 C ARG A 91 8.136 -7.626 7.399 1.00 3.11 C ATOM 1422 O ARG A 91 8.745 -8.563 7.916 1.00 13.05 O ATOM 1423 CB ARG A 91 10.377 -6.820 6.633 1.00 64.03 C ATOM 1424 CG ARG A 91 10.922 -7.799 5.604 1.00 4.40 C ATOM 1425 CD ARG A 91 12.070 -8.620 6.170 1.00 1.42 C ATOM 1426 NE ARG A 91 13.368 -8.004 5.907 1.00 51.25 N ATOM 1427 CZ ARG A 91 14.526 -8.554 6.250 1.00 64.31 C ATOM 1428 NH1 ARG A 91 14.550 -9.728 6.867 1.00 55.13 N ATOM 1429 NH2 ARG A 91 15.666 -7.932 5.975 1.00 10.01 N ATOM 0 H ARG A 91 8.005 -4.717 6.224 1.00 24.43 H new ATOM 0 HA ARG A 91 8.554 -6.743 5.496 1.00 21.33 H new ATOM 0 HB2 ARG A 91 10.882 -5.861 6.513 1.00 64.03 H new ATOM 0 HB3 ARG A 91 10.617 -7.184 7.632 1.00 64.03 H new ATOM 0 HG2 ARG A 91 10.124 -8.465 5.276 1.00 4.40 H new ATOM 0 HG3 ARG A 91 11.263 -7.252 4.725 1.00 4.40 H new ATOM 0 HD2 ARG A 91 11.936 -8.737 7.245 1.00 1.42 H new ATOM 0 HD3 ARG A 91 12.049 -9.620 5.736 1.00 1.42 H new ATOM 0 HE ARG A 91 13.385 -7.101 5.433 1.00 51.25 H new ATOM 0 HH11 ARG A 91 13.677 -10.211 7.079 1.00 55.13 H new ATOM 0 HH12 ARG A 91 15.442 -10.148 7.129 1.00 55.13 H new ATOM 0 HH21 ARG A 91 15.653 -7.030 5.499 1.00 10.01 H new ATOM 0 HH22 ARG A 91 16.555 -8.356 6.239 1.00 10.01 H new ATOM 1443 N ILE A 92 6.830 -7.436 7.553 1.00 65.51 N ATOM 1444 CA ILE A 92 6.019 -8.342 8.357 1.00 13.11 C ATOM 1445 C ILE A 92 5.477 -9.491 7.513 1.00 21.25 C ATOM 1446 O ILE A 92 4.588 -9.300 6.683 1.00 30.50 O ATOM 1447 CB ILE A 92 4.838 -7.604 9.016 1.00 43.31 C ATOM 1448 CG1 ILE A 92 5.352 -6.506 9.949 1.00 1.22 C ATOM 1449 CG2 ILE A 92 3.959 -8.585 9.777 1.00 55.43 C ATOM 1450 CD1 ILE A 92 4.378 -5.362 10.131 1.00 23.41 C ATOM 0 H ILE A 92 6.312 -6.665 7.133 1.00 65.51 H new ATOM 0 HA ILE A 92 6.669 -8.741 9.135 1.00 13.11 H new ATOM 0 HB ILE A 92 4.237 -7.139 8.235 1.00 43.31 H new ATOM 0 HG12 ILE A 92 5.573 -6.942 10.923 1.00 1.22 H new ATOM 0 HG13 ILE A 92 6.290 -6.115 9.554 1.00 1.22 H new ATOM 0 HG21 ILE A 92 3.129 -8.049 10.237 1.00 55.43 H new ATOM 0 HG22 ILE A 92 3.569 -9.335 9.088 1.00 55.43 H new ATOM 0 HG23 ILE A 92 4.548 -9.076 10.552 1.00 55.43 H new ATOM 0 HD11 ILE A 92 4.809 -4.621 10.805 1.00 23.41 H new ATOM 0 HD12 ILE A 92 4.175 -4.900 9.165 1.00 23.41 H new ATOM 0 HD13 ILE A 92 3.448 -5.740 10.555 1.00 23.41 H new ATOM 1462 N ASP A 93 6.018 -10.685 7.733 1.00 2.32 N ATOM 1463 CA ASP A 93 5.588 -11.866 6.996 1.00 72.45 C ATOM 1464 C ASP A 93 4.066 -11.955 6.952 1.00 32.43 C ATOM 1465 O ASP A 93 3.402 -11.921 7.988 1.00 14.03 O ATOM 1466 CB ASP A 93 6.167 -13.130 7.632 1.00 31.12 C ATOM 1467 CG ASP A 93 7.611 -13.368 7.237 1.00 10.14 C ATOM 1468 OD1 ASP A 93 8.425 -12.429 7.369 1.00 33.12 O ATOM 1469 OD2 ASP A 93 7.928 -14.493 6.796 1.00 4.55 O ATOM 0 H ASP A 93 6.755 -10.859 8.416 1.00 2.32 H new ATOM 0 HA ASP A 93 5.959 -11.781 5.975 1.00 72.45 H new ATOM 0 HB2 ASP A 93 6.099 -13.051 8.717 1.00 31.12 H new ATOM 0 HB3 ASP A 93 5.566 -13.990 7.336 1.00 31.12 H new ATOM 1474 N VAL A 94 3.518 -12.070 5.745 1.00 2.45 N ATOM 1475 CA VAL A 94 2.074 -12.164 5.567 1.00 65.11 C ATOM 1476 C VAL A 94 1.726 -12.987 4.332 1.00 23.33 C ATOM 1477 O VAL A 94 2.242 -12.740 3.241 1.00 31.54 O ATOM 1478 CB VAL A 94 1.433 -10.769 5.439 1.00 75.10 C ATOM 1479 CG1 VAL A 94 1.450 -10.049 6.779 1.00 42.15 C ATOM 1480 CG2 VAL A 94 2.147 -9.950 4.374 1.00 33.31 C ATOM 0 H VAL A 94 4.053 -12.100 4.877 1.00 2.45 H new ATOM 0 HA VAL A 94 1.676 -12.658 6.453 1.00 65.11 H new ATOM 0 HB VAL A 94 0.394 -10.892 5.133 1.00 75.10 H new ATOM 0 HG11 VAL A 94 0.993 -9.065 6.669 1.00 42.15 H new ATOM 0 HG12 VAL A 94 0.889 -10.630 7.511 1.00 42.15 H new ATOM 0 HG13 VAL A 94 2.480 -9.935 7.118 1.00 42.15 H new ATOM 0 HG21 VAL A 94 1.681 -8.968 4.297 1.00 33.31 H new ATOM 0 HG22 VAL A 94 3.196 -9.834 4.647 1.00 33.31 H new ATOM 0 HG23 VAL A 94 2.076 -10.461 3.414 1.00 33.31 H new ATOM 1490 N LYS A 95 0.846 -13.966 4.510 1.00 24.40 N ATOM 1491 CA LYS A 95 0.426 -14.827 3.410 1.00 72.21 C ATOM 1492 C LYS A 95 -0.739 -14.205 2.646 1.00 3.25 C ATOM 1493 O LYS A 95 -1.127 -14.689 1.583 1.00 22.13 O ATOM 1494 CB LYS A 95 0.024 -16.206 3.939 1.00 61.23 C ATOM 1495 CG LYS A 95 -0.288 -17.210 2.843 1.00 31.42 C ATOM 1496 CD LYS A 95 -0.346 -18.628 3.386 1.00 71.51 C ATOM 1497 CE LYS A 95 -1.566 -18.837 4.270 1.00 22.13 C ATOM 1498 NZ LYS A 95 -2.703 -19.431 3.515 1.00 14.12 N ATOM 0 H LYS A 95 0.409 -14.183 5.406 1.00 24.40 H new ATOM 0 HA LYS A 95 1.268 -14.938 2.727 1.00 72.21 H new ATOM 0 HB2 LYS A 95 0.830 -16.597 4.560 1.00 61.23 H new ATOM 0 HB3 LYS A 95 -0.850 -16.099 4.582 1.00 61.23 H new ATOM 0 HG2 LYS A 95 -1.241 -16.958 2.378 1.00 31.42 H new ATOM 0 HG3 LYS A 95 0.472 -17.148 2.065 1.00 31.42 H new ATOM 0 HD2 LYS A 95 -0.371 -19.335 2.557 1.00 71.51 H new ATOM 0 HD3 LYS A 95 0.559 -18.837 3.957 1.00 71.51 H new ATOM 0 HE2 LYS A 95 -1.303 -19.489 5.103 1.00 22.13 H new ATOM 0 HE3 LYS A 95 -1.873 -17.882 4.697 1.00 22.13 H new ATOM 0 HZ1 LYS A 95 -3.515 -19.558 4.153 1.00 14.12 H new ATOM 0 HZ2 LYS A 95 -2.971 -18.797 2.735 1.00 14.12 H new ATOM 0 HZ3 LYS A 95 -2.419 -20.354 3.129 1.00 14.12 H new ATOM 1512 N ASP A 96 -1.291 -13.128 3.195 1.00 62.23 N ATOM 1513 CA ASP A 96 -2.410 -12.438 2.564 1.00 10.00 C ATOM 1514 C ASP A 96 -2.755 -11.158 3.320 1.00 0.11 C ATOM 1515 O ASP A 96 -2.234 -10.906 4.408 1.00 73.54 O ATOM 1516 CB ASP A 96 -3.633 -13.353 2.503 1.00 73.41 C ATOM 1517 CG ASP A 96 -3.810 -14.170 3.768 1.00 52.12 C ATOM 1518 OD1 ASP A 96 -4.262 -13.600 4.783 1.00 22.24 O ATOM 1519 OD2 ASP A 96 -3.497 -15.378 3.743 1.00 73.33 O ATOM 0 H ASP A 96 -0.982 -12.714 4.075 1.00 62.23 H new ATOM 0 HA ASP A 96 -2.114 -12.172 1.549 1.00 10.00 H new ATOM 0 HB2 ASP A 96 -4.526 -12.750 2.336 1.00 73.41 H new ATOM 0 HB3 ASP A 96 -3.538 -14.025 1.650 1.00 73.41 H new ATOM 1524 N THR A 97 -3.636 -10.352 2.737 1.00 12.53 N ATOM 1525 CA THR A 97 -4.050 -9.098 3.354 1.00 5.23 C ATOM 1526 C THR A 97 -4.624 -9.332 4.746 1.00 74.30 C ATOM 1527 O THR A 97 -4.706 -8.412 5.559 1.00 3.44 O ATOM 1528 CB THR A 97 -5.098 -8.367 2.495 1.00 51.21 C ATOM 1529 OG1 THR A 97 -4.569 -8.111 1.189 1.00 73.21 O ATOM 1530 CG2 THR A 97 -5.514 -7.056 3.145 1.00 11.03 C ATOM 0 H THR A 97 -4.077 -10.545 1.838 1.00 12.53 H new ATOM 0 HA THR A 97 -3.158 -8.476 3.432 1.00 5.23 H new ATOM 0 HB THR A 97 -5.976 -9.007 2.412 1.00 51.21 H new ATOM 0 HG1 THR A 97 -4.615 -7.151 1.000 1.00 73.21 H new ATOM 0 HG21 THR A 97 -6.255 -6.559 2.519 1.00 11.03 H new ATOM 0 HG22 THR A 97 -5.944 -7.257 4.126 1.00 11.03 H new ATOM 0 HG23 THR A 97 -4.642 -6.412 3.256 1.00 11.03 H new ATOM 1538 N LYS A 98 -5.021 -10.571 5.016 1.00 74.20 N ATOM 1539 CA LYS A 98 -5.587 -10.929 6.311 1.00 71.34 C ATOM 1540 C LYS A 98 -4.491 -11.078 7.361 1.00 74.11 C ATOM 1541 O LYS A 98 -4.538 -10.441 8.414 1.00 71.34 O ATOM 1542 CB LYS A 98 -6.383 -12.233 6.200 1.00 5.54 C ATOM 1543 CG LYS A 98 -7.665 -12.232 7.014 1.00 74.14 C ATOM 1544 CD LYS A 98 -7.474 -12.918 8.357 1.00 54.44 C ATOM 1545 CE LYS A 98 -8.502 -14.017 8.573 1.00 50.15 C ATOM 1546 NZ LYS A 98 -8.549 -14.461 9.993 1.00 10.04 N ATOM 0 H LYS A 98 -4.961 -11.345 4.354 1.00 74.20 H new ATOM 0 HA LYS A 98 -6.257 -10.127 6.621 1.00 71.34 H new ATOM 0 HB2 LYS A 98 -6.627 -12.412 5.153 1.00 5.54 H new ATOM 0 HB3 LYS A 98 -5.755 -13.062 6.527 1.00 5.54 H new ATOM 0 HG2 LYS A 98 -7.995 -11.205 7.173 1.00 74.14 H new ATOM 0 HG3 LYS A 98 -8.452 -12.738 6.455 1.00 74.14 H new ATOM 0 HD2 LYS A 98 -6.471 -13.341 8.411 1.00 54.44 H new ATOM 0 HD3 LYS A 98 -7.553 -12.182 9.157 1.00 54.44 H new ATOM 0 HE2 LYS A 98 -9.486 -13.658 8.272 1.00 50.15 H new ATOM 0 HE3 LYS A 98 -8.264 -14.868 7.934 1.00 50.15 H new ATOM 0 HZ1 LYS A 98 -9.262 -15.211 10.099 1.00 10.04 H new ATOM 0 HZ2 LYS A 98 -7.617 -14.827 10.273 1.00 10.04 H new ATOM 0 HZ3 LYS A 98 -8.801 -13.655 10.600 1.00 10.04 H new ATOM 1560 N GLU A 99 -3.506 -11.920 7.067 1.00 65.22 N ATOM 1561 CA GLU A 99 -2.398 -12.151 7.987 1.00 20.20 C ATOM 1562 C GLU A 99 -1.722 -10.836 8.365 1.00 41.25 C ATOM 1563 O GLU A 99 -1.085 -10.731 9.412 1.00 35.40 O ATOM 1564 CB GLU A 99 -1.376 -13.101 7.361 1.00 22.52 C ATOM 1565 CG GLU A 99 -1.887 -14.523 7.199 1.00 32.52 C ATOM 1566 CD GLU A 99 -1.060 -15.533 7.971 1.00 12.32 C ATOM 1567 OE1 GLU A 99 0.185 -15.436 7.931 1.00 71.44 O ATOM 1568 OE2 GLU A 99 -1.657 -16.419 8.617 1.00 54.23 O ATOM 0 H GLU A 99 -3.452 -12.454 6.199 1.00 65.22 H new ATOM 0 HA GLU A 99 -2.800 -12.607 8.892 1.00 20.20 H new ATOM 0 HB2 GLU A 99 -1.084 -12.715 6.384 1.00 22.52 H new ATOM 0 HB3 GLU A 99 -0.478 -13.115 7.979 1.00 22.52 H new ATOM 0 HG2 GLU A 99 -2.922 -14.573 7.536 1.00 32.52 H new ATOM 0 HG3 GLU A 99 -1.883 -14.788 6.142 1.00 32.52 H new ATOM 1575 N ALA A 100 -1.864 -9.836 7.501 1.00 12.52 N ATOM 1576 CA ALA A 100 -1.270 -8.527 7.743 1.00 23.51 C ATOM 1577 C ALA A 100 -2.081 -7.735 8.762 1.00 13.35 C ATOM 1578 O ALA A 100 -1.522 -7.084 9.647 1.00 52.13 O ATOM 1579 CB ALA A 100 -1.153 -7.751 6.440 1.00 51.20 C ATOM 0 H ALA A 100 -2.385 -9.908 6.627 1.00 12.52 H new ATOM 0 HA ALA A 100 -0.272 -8.680 8.153 1.00 23.51 H new ATOM 0 HB1 ALA A 100 -0.708 -6.776 6.636 1.00 51.20 H new ATOM 0 HB2 ALA A 100 -0.523 -8.304 5.743 1.00 51.20 H new ATOM 0 HB3 ALA A 100 -2.144 -7.617 6.006 1.00 51.20 H new ATOM 1585 N LEU A 101 -3.402 -7.793 8.633 1.00 12.22 N ATOM 1586 CA LEU A 101 -4.292 -7.079 9.543 1.00 34.11 C ATOM 1587 C LEU A 101 -4.207 -7.658 10.952 1.00 13.54 C ATOM 1588 O LEU A 101 -4.006 -6.926 11.923 1.00 71.52 O ATOM 1589 CB LEU A 101 -5.734 -7.149 9.037 1.00 72.11 C ATOM 1590 CG LEU A 101 -6.573 -5.884 9.226 1.00 44.25 C ATOM 1591 CD1 LEU A 101 -6.702 -5.544 10.702 1.00 63.53 C ATOM 1592 CD2 LEU A 101 -5.962 -4.720 8.459 1.00 3.22 C ATOM 0 H LEU A 101 -3.881 -8.327 7.907 1.00 12.22 H new ATOM 0 HA LEU A 101 -3.976 -6.036 9.578 1.00 34.11 H new ATOM 0 HB2 LEU A 101 -5.714 -7.392 7.975 1.00 72.11 H new ATOM 0 HB3 LEU A 101 -6.236 -7.973 9.543 1.00 72.11 H new ATOM 0 HG LEU A 101 -7.571 -6.070 8.830 1.00 44.25 H new ATOM 0 HD11 LEU A 101 -7.302 -4.641 10.816 1.00 63.53 H new ATOM 0 HD12 LEU A 101 -7.185 -6.370 11.225 1.00 63.53 H new ATOM 0 HD13 LEU A 101 -5.711 -5.377 11.125 1.00 63.53 H new ATOM 0 HD21 LEU A 101 -6.572 -3.828 8.605 1.00 3.22 H new ATOM 0 HD22 LEU A 101 -4.952 -4.533 8.825 1.00 3.22 H new ATOM 0 HD23 LEU A 101 -5.924 -4.964 7.397 1.00 3.22 H new ATOM 1604 N ASP A 102 -4.360 -8.972 11.056 1.00 21.22 N ATOM 1605 CA ASP A 102 -4.298 -9.650 12.346 1.00 5.44 C ATOM 1606 C ASP A 102 -2.981 -9.350 13.054 1.00 3.23 C ATOM 1607 O ASP A 102 -2.912 -9.339 14.284 1.00 14.02 O ATOM 1608 CB ASP A 102 -4.460 -11.159 12.163 1.00 63.24 C ATOM 1609 CG ASP A 102 -5.824 -11.654 12.601 1.00 42.23 C ATOM 1610 OD1 ASP A 102 -6.806 -11.414 11.867 1.00 73.44 O ATOM 1611 OD2 ASP A 102 -5.909 -12.280 13.678 1.00 74.41 O ATOM 0 H ASP A 102 -4.528 -9.590 10.262 1.00 21.22 H new ATOM 0 HA ASP A 102 -5.116 -9.278 12.963 1.00 5.44 H new ATOM 0 HB2 ASP A 102 -4.304 -11.413 11.115 1.00 63.24 H new ATOM 0 HB3 ASP A 102 -3.689 -11.676 12.734 1.00 63.24 H new ATOM 1616 N LYS A 103 -1.935 -9.107 12.271 1.00 15.10 N ATOM 1617 CA LYS A 103 -0.619 -8.805 12.822 1.00 64.42 C ATOM 1618 C LYS A 103 -0.523 -7.340 13.233 1.00 53.13 C ATOM 1619 O LYS A 103 -0.023 -7.020 14.311 1.00 1.34 O ATOM 1620 CB LYS A 103 0.471 -9.131 11.798 1.00 33.04 C ATOM 1621 CG LYS A 103 1.795 -9.531 12.426 1.00 22.14 C ATOM 1622 CD LYS A 103 1.667 -10.815 13.228 1.00 74.11 C ATOM 1623 CE LYS A 103 2.959 -11.618 13.208 1.00 41.45 C ATOM 1624 NZ LYS A 103 3.021 -12.597 14.327 1.00 63.04 N ATOM 0 H LYS A 103 -1.973 -9.113 11.252 1.00 15.10 H new ATOM 0 HA LYS A 103 -0.474 -9.422 13.709 1.00 64.42 H new ATOM 0 HB2 LYS A 103 0.124 -9.940 11.156 1.00 33.04 H new ATOM 0 HB3 LYS A 103 0.629 -8.262 11.159 1.00 33.04 H new ATOM 0 HG2 LYS A 103 2.544 -9.662 11.645 1.00 22.14 H new ATOM 0 HG3 LYS A 103 2.148 -8.729 13.075 1.00 22.14 H new ATOM 0 HD2 LYS A 103 1.402 -10.577 14.258 1.00 74.11 H new ATOM 0 HD3 LYS A 103 0.856 -11.419 12.822 1.00 74.11 H new ATOM 0 HE2 LYS A 103 3.043 -12.146 12.258 1.00 41.45 H new ATOM 0 HE3 LYS A 103 3.809 -10.939 13.272 1.00 41.45 H new ATOM 0 HZ1 LYS A 103 3.916 -13.124 14.278 1.00 63.04 H new ATOM 0 HZ2 LYS A 103 2.966 -12.091 15.234 1.00 63.04 H new ATOM 0 HZ3 LYS A 103 2.224 -13.261 14.252 1.00 63.04 H new ATOM 1638 N ILE A 104 -1.008 -6.454 12.368 1.00 22.52 N ATOM 1639 CA ILE A 104 -0.978 -5.024 12.643 1.00 33.23 C ATOM 1640 C ILE A 104 -1.890 -4.671 13.813 1.00 21.14 C ATOM 1641 O ILE A 104 -1.591 -3.769 14.597 1.00 65.43 O ATOM 1642 CB ILE A 104 -1.403 -4.204 11.411 1.00 33.02 C ATOM 1643 CG1 ILE A 104 -0.378 -4.365 10.287 1.00 55.14 C ATOM 1644 CG2 ILE A 104 -1.566 -2.737 11.780 1.00 20.43 C ATOM 1645 CD1 ILE A 104 -0.902 -3.953 8.928 1.00 43.22 C ATOM 0 H ILE A 104 -1.426 -6.703 11.471 1.00 22.52 H new ATOM 0 HA ILE A 104 0.052 -4.773 12.898 1.00 33.23 H new ATOM 0 HB ILE A 104 -2.364 -4.578 11.058 1.00 33.02 H new ATOM 0 HG12 ILE A 104 0.504 -3.770 10.523 1.00 55.14 H new ATOM 0 HG13 ILE A 104 -0.058 -5.406 10.244 1.00 55.14 H new ATOM 0 HG21 ILE A 104 -1.867 -2.171 10.898 1.00 20.43 H new ATOM 0 HG22 ILE A 104 -2.329 -2.639 12.552 1.00 20.43 H new ATOM 0 HG23 ILE A 104 -0.619 -2.349 12.155 1.00 20.43 H new ATOM 0 HD11 ILE A 104 -0.122 -4.094 8.179 1.00 43.22 H new ATOM 0 HD12 ILE A 104 -1.767 -4.565 8.671 1.00 43.22 H new ATOM 0 HD13 ILE A 104 -1.195 -2.903 8.954 1.00 43.22 H new ATOM 1657 N GLU A 105 -3.004 -5.388 13.927 1.00 63.52 N ATOM 1658 CA GLU A 105 -3.959 -5.150 15.003 1.00 22.51 C ATOM 1659 C GLU A 105 -3.302 -5.348 16.366 1.00 72.30 C ATOM 1660 O GLU A 105 -3.197 -4.412 17.157 1.00 71.15 O ATOM 1661 CB GLU A 105 -5.161 -6.087 14.863 1.00 41.44 C ATOM 1662 CG GLU A 105 -6.309 -5.747 15.800 1.00 44.52 C ATOM 1663 CD GLU A 105 -7.637 -5.631 15.077 1.00 65.22 C ATOM 1664 OE1 GLU A 105 -7.672 -5.002 13.998 1.00 21.21 O ATOM 1665 OE2 GLU A 105 -8.641 -6.169 15.589 1.00 63.51 O ATOM 0 H GLU A 105 -3.267 -6.138 13.288 1.00 63.52 H new ATOM 0 HA GLU A 105 -4.301 -4.118 14.930 1.00 22.51 H new ATOM 0 HB2 GLU A 105 -5.520 -6.053 13.834 1.00 41.44 H new ATOM 0 HB3 GLU A 105 -4.838 -7.110 15.054 1.00 41.44 H new ATOM 0 HG2 GLU A 105 -6.384 -6.515 16.570 1.00 44.52 H new ATOM 0 HG3 GLU A 105 -6.093 -4.807 16.308 1.00 44.52 H new ATOM 1672 N GLU A 106 -2.864 -6.575 16.634 1.00 52.33 N ATOM 1673 CA GLU A 106 -2.220 -6.896 17.902 1.00 72.34 C ATOM 1674 C GLU A 106 -1.093 -5.913 18.204 1.00 61.20 C ATOM 1675 O GLU A 106 -0.983 -5.403 19.318 1.00 64.20 O ATOM 1676 CB GLU A 106 -1.672 -8.324 17.873 1.00 34.22 C ATOM 1677 CG GLU A 106 -2.673 -9.370 18.336 1.00 20.14 C ATOM 1678 CD GLU A 106 -2.163 -10.190 19.506 1.00 44.35 C ATOM 1679 OE1 GLU A 106 -1.026 -10.700 19.420 1.00 70.42 O ATOM 1680 OE2 GLU A 106 -2.898 -10.320 20.506 1.00 13.22 O ATOM 0 H GLU A 106 -2.944 -7.362 15.990 1.00 52.33 H new ATOM 0 HA GLU A 106 -2.968 -6.817 18.691 1.00 72.34 H new ATOM 0 HB2 GLU A 106 -1.354 -8.562 16.858 1.00 34.22 H new ATOM 0 HB3 GLU A 106 -0.786 -8.377 18.505 1.00 34.22 H new ATOM 0 HG2 GLU A 106 -3.602 -8.877 18.621 1.00 20.14 H new ATOM 0 HG3 GLU A 106 -2.907 -10.036 17.505 1.00 20.14 H new ATOM 1687 N GLU A 107 -0.258 -5.653 17.202 1.00 55.22 N ATOM 1688 CA GLU A 107 0.860 -4.732 17.361 1.00 25.12 C ATOM 1689 C GLU A 107 0.391 -3.397 17.931 1.00 53.04 C ATOM 1690 O GLU A 107 1.130 -2.721 18.646 1.00 62.43 O ATOM 1691 CB GLU A 107 1.560 -4.507 16.019 1.00 74.43 C ATOM 1692 CG GLU A 107 3.077 -4.542 16.109 1.00 12.21 C ATOM 1693 CD GLU A 107 3.747 -4.006 14.858 1.00 31.34 C ATOM 1694 OE1 GLU A 107 3.592 -4.631 13.788 1.00 14.45 O ATOM 1695 OE2 GLU A 107 4.427 -2.963 14.950 1.00 11.11 O ATOM 0 H GLU A 107 -0.335 -6.067 16.273 1.00 55.22 H new ATOM 0 HA GLU A 107 1.566 -5.178 18.061 1.00 25.12 H new ATOM 0 HB2 GLU A 107 1.229 -5.269 15.314 1.00 74.43 H new ATOM 0 HB3 GLU A 107 1.251 -3.543 15.615 1.00 74.43 H new ATOM 0 HG2 GLU A 107 3.400 -3.956 16.969 1.00 12.21 H new ATOM 0 HG3 GLU A 107 3.404 -5.568 16.281 1.00 12.21 H new ATOM 1702 N GLN A 108 -0.844 -3.025 17.608 1.00 11.34 N ATOM 1703 CA GLN A 108 -1.412 -1.771 18.088 1.00 53.45 C ATOM 1704 C GLN A 108 -2.161 -1.978 19.400 1.00 31.14 C ATOM 1705 O GLN A 108 -2.193 -1.093 20.254 1.00 14.01 O ATOM 1706 CB GLN A 108 -2.355 -1.179 17.038 1.00 22.04 C ATOM 1707 CG GLN A 108 -1.645 -0.340 15.987 1.00 1.45 C ATOM 1708 CD GLN A 108 -2.146 -0.616 14.583 1.00 33.41 C ATOM 1709 OE1 GLN A 108 -3.192 -1.240 14.396 1.00 22.15 O ATOM 1710 NE2 GLN A 108 -1.402 -0.153 13.586 1.00 4.23 N ATOM 0 H GLN A 108 -1.469 -3.573 17.017 1.00 11.34 H new ATOM 0 HA GLN A 108 -0.592 -1.075 18.265 1.00 53.45 H new ATOM 0 HB2 GLN A 108 -2.890 -1.990 16.543 1.00 22.04 H new ATOM 0 HB3 GLN A 108 -3.102 -0.563 17.539 1.00 22.04 H new ATOM 0 HG2 GLN A 108 -1.783 0.716 16.217 1.00 1.45 H new ATOM 0 HG3 GLN A 108 -0.574 -0.538 16.032 1.00 1.45 H new ATOM 0 HE21 GLN A 108 -0.543 0.359 13.786 1.00 4.23 H new ATOM 0 HE22 GLN A 108 -1.690 -0.309 12.620 1.00 4.23 H new ATOM 1719 N ASN A 109 -2.761 -3.154 19.554 1.00 51.32 N ATOM 1720 CA ASN A 109 -3.511 -3.477 20.762 1.00 4.13 C ATOM 1721 C ASN A 109 -2.636 -3.321 22.003 1.00 70.43 C ATOM 1722 O ASN A 109 -3.135 -3.081 23.103 1.00 41.24 O ATOM 1723 CB ASN A 109 -4.054 -4.905 20.684 1.00 33.12 C ATOM 1724 CG ASN A 109 -5.212 -5.136 21.636 1.00 71.12 C ATOM 1725 OD1 ASN A 109 -6.188 -4.384 21.638 1.00 4.01 O ATOM 1726 ND2 ASN A 109 -5.109 -6.180 22.449 1.00 12.14 N ATOM 0 H ASN A 109 -2.742 -3.899 18.857 1.00 51.32 H new ATOM 0 HA ASN A 109 -4.347 -2.781 20.838 1.00 4.13 H new ATOM 0 HB2 ASN A 109 -4.379 -5.112 19.664 1.00 33.12 H new ATOM 0 HB3 ASN A 109 -3.253 -5.608 20.913 1.00 33.12 H new ATOM 0 HD21 ASN A 109 -5.857 -6.387 23.111 1.00 12.14 H new ATOM 0 HD22 ASN A 109 -4.282 -6.776 22.412 1.00 12.14 H new ATOM 1733 N LYS A 110 -1.328 -3.460 21.819 1.00 44.24 N ATOM 1734 CA LYS A 110 -0.382 -3.333 22.920 1.00 21.32 C ATOM 1735 C LYS A 110 -0.305 -1.890 23.408 1.00 3.21 C ATOM 1736 O LYS A 110 0.071 -1.630 24.552 1.00 74.22 O ATOM 1737 CB LYS A 110 1.006 -3.810 22.486 1.00 71.34 C ATOM 1738 CG LYS A 110 1.538 -4.968 23.312 1.00 61.11 C ATOM 1739 CD LYS A 110 1.340 -6.297 22.602 1.00 14.02 C ATOM 1740 CE LYS A 110 2.439 -7.287 22.956 1.00 45.34 C ATOM 1741 NZ LYS A 110 2.368 -8.517 22.119 1.00 71.10 N ATOM 0 H LYS A 110 -0.899 -3.661 20.916 1.00 44.24 H new ATOM 0 HA LYS A 110 -0.734 -3.958 23.741 1.00 21.32 H new ATOM 0 HB2 LYS A 110 0.967 -4.110 21.439 1.00 71.34 H new ATOM 0 HB3 LYS A 110 1.705 -2.976 22.553 1.00 71.34 H new ATOM 0 HG2 LYS A 110 2.599 -4.816 23.512 1.00 61.11 H new ATOM 0 HG3 LYS A 110 1.031 -4.991 24.277 1.00 61.11 H new ATOM 0 HD2 LYS A 110 0.371 -6.715 22.874 1.00 14.02 H new ATOM 0 HD3 LYS A 110 1.327 -6.136 21.524 1.00 14.02 H new ATOM 0 HE2 LYS A 110 3.411 -6.813 22.823 1.00 45.34 H new ATOM 0 HE3 LYS A 110 2.358 -7.559 24.008 1.00 45.34 H new ATOM 0 HZ1 LYS A 110 3.133 -9.166 22.391 1.00 71.10 H new ATOM 0 HZ2 LYS A 110 1.450 -8.984 22.265 1.00 71.10 H new ATOM 0 HZ3 LYS A 110 2.471 -8.261 21.116 1.00 71.10 H new ATOM 1755 N SER A 111 -0.664 -0.955 22.535 1.00 41.31 N ATOM 1756 CA SER A 111 -0.634 0.463 22.877 1.00 20.34 C ATOM 1757 C SER A 111 -2.038 1.059 22.848 1.00 71.03 C ATOM 1758 O SER A 111 -2.627 1.341 23.891 1.00 12.41 O ATOM 1759 CB SER A 111 0.276 1.223 21.910 1.00 13.43 C ATOM 1760 OG SER A 111 1.626 1.178 22.338 1.00 72.24 O ATOM 0 H SER A 111 -0.979 -1.153 21.585 1.00 41.31 H new ATOM 0 HA SER A 111 -0.239 0.559 23.888 1.00 20.34 H new ATOM 0 HB2 SER A 111 0.193 0.792 20.912 1.00 13.43 H new ATOM 0 HB3 SER A 111 -0.051 2.260 21.837 1.00 13.43 H new ATOM 0 HG SER A 111 2.187 1.669 21.702 1.00 72.24 H new ATOM 1766 N LYS A 112 -2.569 1.248 21.644 1.00 22.12 N ATOM 1767 CA LYS A 112 -3.904 1.809 21.476 1.00 24.52 C ATOM 1768 C LYS A 112 -4.143 2.949 22.460 1.00 4.52 C ATOM 1769 O LYS A 112 -5.240 3.100 22.998 1.00 4.45 O ATOM 1770 CB LYS A 112 -4.964 0.723 21.671 1.00 21.11 C ATOM 1771 CG LYS A 112 -5.016 0.170 23.084 1.00 34.32 C ATOM 1772 CD LYS A 112 -6.336 -0.529 23.362 1.00 53.21 C ATOM 1773 CE LYS A 112 -6.243 -1.434 24.581 1.00 62.32 C ATOM 1774 NZ LYS A 112 -6.049 -2.860 24.199 1.00 52.34 N ATOM 0 H LYS A 112 -2.094 1.021 20.770 1.00 22.12 H new ATOM 0 HA LYS A 112 -3.980 2.205 20.463 1.00 24.52 H new ATOM 0 HB2 LYS A 112 -5.941 1.131 21.413 1.00 21.11 H new ATOM 0 HB3 LYS A 112 -4.767 -0.094 20.977 1.00 21.11 H new ATOM 0 HG2 LYS A 112 -4.194 -0.531 23.232 1.00 34.32 H new ATOM 0 HG3 LYS A 112 -4.876 0.981 23.798 1.00 34.32 H new ATOM 0 HD2 LYS A 112 -7.117 0.215 23.519 1.00 53.21 H new ATOM 0 HD3 LYS A 112 -6.627 -1.118 22.492 1.00 53.21 H new ATOM 0 HE2 LYS A 112 -5.414 -1.111 25.211 1.00 62.32 H new ATOM 0 HE3 LYS A 112 -7.152 -1.338 25.175 1.00 62.32 H new ATOM 0 HZ1 LYS A 112 -6.618 -3.467 24.823 1.00 52.34 H new ATOM 0 HZ2 LYS A 112 -6.349 -2.999 23.213 1.00 52.34 H new ATOM 0 HZ3 LYS A 112 -5.044 -3.111 24.294 1.00 52.34 H new ATOM 1788 N LYS A 113 -3.110 3.752 22.690 1.00 3.55 N ATOM 1789 CA LYS A 113 -3.206 4.881 23.608 1.00 53.44 C ATOM 1790 C LYS A 113 -1.886 5.643 23.674 1.00 12.43 C ATOM 1791 O LYS A 113 -1.870 6.868 23.805 1.00 20.12 O ATOM 1792 CB LYS A 113 -3.600 4.397 25.006 1.00 45.53 C ATOM 1793 CG LYS A 113 -5.004 4.806 25.418 1.00 23.21 C ATOM 1794 CD LYS A 113 -4.992 6.074 26.255 1.00 73.13 C ATOM 1795 CE LYS A 113 -5.143 5.765 27.736 1.00 13.35 C ATOM 1796 NZ LYS A 113 -5.854 6.855 28.461 1.00 72.22 N ATOM 0 H LYS A 113 -2.195 3.642 22.253 1.00 3.55 H new ATOM 0 HA LYS A 113 -3.976 5.556 23.234 1.00 53.44 H new ATOM 0 HB2 LYS A 113 -3.522 3.310 25.040 1.00 45.53 H new ATOM 0 HB3 LYS A 113 -2.888 4.791 25.732 1.00 45.53 H new ATOM 0 HG2 LYS A 113 -5.614 4.962 24.528 1.00 23.21 H new ATOM 0 HG3 LYS A 113 -5.467 3.999 25.985 1.00 23.21 H new ATOM 0 HD2 LYS A 113 -4.059 6.613 26.088 1.00 73.13 H new ATOM 0 HD3 LYS A 113 -5.801 6.730 25.935 1.00 73.13 H new ATOM 0 HE2 LYS A 113 -5.691 4.830 27.858 1.00 13.35 H new ATOM 0 HE3 LYS A 113 -4.158 5.617 28.178 1.00 13.35 H new ATOM 0 HZ1 LYS A 113 -5.937 6.606 29.467 1.00 72.22 H new ATOM 0 HZ2 LYS A 113 -5.319 7.742 28.366 1.00 72.22 H new ATOM 0 HZ3 LYS A 113 -6.804 6.979 28.056 1.00 72.22 H new ATOM 1810 N LYS A 114 -0.781 4.912 23.584 1.00 41.33 N ATOM 1811 CA LYS A 114 0.544 5.518 23.630 1.00 20.43 C ATOM 1812 C LYS A 114 1.143 5.627 22.231 1.00 14.54 C ATOM 1813 O LYS A 114 2.102 6.365 22.014 1.00 44.52 O ATOM 1814 CB LYS A 114 1.470 4.698 24.530 1.00 24.54 C ATOM 1815 CG LYS A 114 1.490 5.169 25.975 1.00 71.44 C ATOM 1816 CD LYS A 114 1.966 4.073 26.913 1.00 71.41 C ATOM 1817 CE LYS A 114 3.482 4.059 27.029 1.00 24.32 C ATOM 1818 NZ LYS A 114 3.942 3.244 28.188 1.00 64.14 N ATOM 0 H LYS A 114 -0.777 3.897 23.479 1.00 41.33 H new ATOM 0 HA LYS A 114 0.442 6.522 24.041 1.00 20.43 H new ATOM 0 HB2 LYS A 114 1.159 3.654 24.502 1.00 24.54 H new ATOM 0 HB3 LYS A 114 2.483 4.740 24.129 1.00 24.54 H new ATOM 0 HG2 LYS A 114 2.144 6.037 26.067 1.00 71.44 H new ATOM 0 HG3 LYS A 114 0.490 5.491 26.268 1.00 71.44 H new ATOM 0 HD2 LYS A 114 1.526 4.220 27.899 1.00 71.41 H new ATOM 0 HD3 LYS A 114 1.619 3.106 26.550 1.00 71.41 H new ATOM 0 HE2 LYS A 114 3.913 3.660 26.111 1.00 24.32 H new ATOM 0 HE3 LYS A 114 3.848 5.080 27.135 1.00 24.32 H new ATOM 0 HZ1 LYS A 114 4.981 3.259 28.233 1.00 64.14 H new ATOM 0 HZ2 LYS A 114 3.552 3.639 29.067 1.00 64.14 H new ATOM 0 HZ3 LYS A 114 3.615 2.263 28.074 1.00 64.14 H new ATOM 1832 N ALA A 115 0.568 4.889 21.288 1.00 35.42 N ATOM 1833 CA ALA A 115 1.043 4.906 19.910 1.00 11.31 C ATOM 1834 C ALA A 115 1.148 6.333 19.384 1.00 62.15 C ATOM 1835 O ALA A 115 2.058 6.657 18.621 1.00 64.12 O ATOM 1836 CB ALA A 115 0.121 4.081 19.024 1.00 30.02 C ATOM 0 H ALA A 115 -0.227 4.272 21.453 1.00 35.42 H new ATOM 0 HA ALA A 115 2.039 4.465 19.889 1.00 11.31 H new ATOM 0 HB1 ALA A 115 0.488 4.102 17.998 1.00 30.02 H new ATOM 0 HB2 ALA A 115 0.100 3.051 19.380 1.00 30.02 H new ATOM 0 HB3 ALA A 115 -0.886 4.498 19.058 1.00 30.02 H new ATOM 1842 N GLN A 116 0.210 7.181 19.794 1.00 63.04 N ATOM 1843 CA GLN A 116 0.198 8.574 19.361 1.00 23.23 C ATOM 1844 C GLN A 116 0.516 9.508 20.524 1.00 25.14 C ATOM 1845 O GLN A 116 0.072 10.655 20.549 1.00 13.34 O ATOM 1846 CB GLN A 116 -1.163 8.931 18.762 1.00 43.03 C ATOM 1847 CG GLN A 116 -2.282 8.996 19.788 1.00 34.00 C ATOM 1848 CD GLN A 116 -3.653 9.095 19.151 1.00 55.02 C ATOM 1849 OE1 GLN A 116 -3.834 9.775 18.140 1.00 31.32 O ATOM 1850 NE2 GLN A 116 -4.632 8.416 19.740 1.00 63.52 N ATOM 0 H GLN A 116 -0.551 6.928 20.425 1.00 63.04 H new ATOM 0 HA GLN A 116 0.967 8.699 18.598 1.00 23.23 H new ATOM 0 HB2 GLN A 116 -1.087 9.895 18.258 1.00 43.03 H new ATOM 0 HB3 GLN A 116 -1.421 8.193 18.002 1.00 43.03 H new ATOM 0 HG2 GLN A 116 -2.242 8.109 20.420 1.00 34.00 H new ATOM 0 HG3 GLN A 116 -2.124 9.857 20.438 1.00 34.00 H new ATOM 0 HE21 GLN A 116 -4.439 7.865 20.576 1.00 63.52 H new ATOM 0 HE22 GLN A 116 -5.576 8.446 19.356 1.00 63.52 H new ATOM 1859 N GLN A 117 1.287 9.008 21.485 1.00 1.30 N ATOM 1860 CA GLN A 117 1.663 9.798 22.650 1.00 3.45 C ATOM 1861 C GLN A 117 2.429 11.050 22.236 1.00 54.24 C ATOM 1862 O GLN A 117 2.334 12.092 22.885 1.00 30.02 O ATOM 1863 CB GLN A 117 2.512 8.961 23.608 1.00 24.42 C ATOM 1864 CG GLN A 117 3.826 8.490 23.004 1.00 55.45 C ATOM 1865 CD GLN A 117 4.318 7.193 23.615 1.00 12.41 C ATOM 1866 OE1 GLN A 117 3.823 6.757 24.654 1.00 22.34 O ATOM 1867 NE2 GLN A 117 5.298 6.570 22.971 1.00 31.22 N ATOM 0 H GLN A 117 1.663 8.060 21.479 1.00 1.30 H new ATOM 0 HA GLN A 117 0.749 10.105 23.158 1.00 3.45 H new ATOM 0 HB2 GLN A 117 2.722 9.549 24.502 1.00 24.42 H new ATOM 0 HB3 GLN A 117 1.936 8.092 23.926 1.00 24.42 H new ATOM 0 HG2 GLN A 117 3.700 8.356 21.930 1.00 55.45 H new ATOM 0 HG3 GLN A 117 4.583 9.262 23.143 1.00 55.45 H new ATOM 0 HE21 GLN A 117 5.678 6.968 22.112 1.00 31.22 H new ATOM 0 HE22 GLN A 117 5.671 5.693 23.335 1.00 31.22 H new ATOM 1876 N ALA A 118 3.187 10.942 21.150 1.00 3.53 N ATOM 1877 CA ALA A 118 3.967 12.067 20.647 1.00 72.50 C ATOM 1878 C ALA A 118 3.064 13.132 20.037 1.00 74.15 C ATOM 1879 O ALA A 118 3.346 14.326 20.130 1.00 13.41 O ATOM 1880 CB ALA A 118 4.986 11.586 19.624 1.00 51.31 C ATOM 0 H ALA A 118 3.278 10.087 20.601 1.00 3.53 H new ATOM 0 HA ALA A 118 4.496 12.516 21.488 1.00 72.50 H new ATOM 0 HB1 ALA A 118 5.562 12.436 19.256 1.00 51.31 H new ATOM 0 HB2 ALA A 118 5.659 10.867 20.091 1.00 51.31 H new ATOM 0 HB3 ALA A 118 4.468 11.111 18.791 1.00 51.31 H new ATOM 1886 N ALA A 119 1.976 12.692 19.411 1.00 4.22 N ATOM 1887 CA ALA A 119 1.031 13.609 18.787 1.00 51.20 C ATOM 1888 C ALA A 119 -0.283 13.654 19.560 1.00 51.13 C ATOM 1889 O ALA A 119 -1.360 13.712 18.968 1.00 40.52 O ATOM 1890 CB ALA A 119 0.782 13.207 17.341 1.00 64.40 C ATOM 0 H ALA A 119 1.728 11.706 19.323 1.00 4.22 H new ATOM 0 HA ALA A 119 1.467 14.608 18.805 1.00 51.20 H new ATOM 0 HB1 ALA A 119 0.074 13.901 16.887 1.00 64.40 H new ATOM 0 HB2 ALA A 119 1.721 13.234 16.789 1.00 64.40 H new ATOM 0 HB3 ALA A 119 0.372 12.198 17.309 1.00 64.40 H new ATOM 1896 N ALA A 120 -0.186 13.626 20.884 1.00 30.33 N ATOM 1897 CA ALA A 120 -1.366 13.665 21.738 1.00 74.50 C ATOM 1898 C ALA A 120 -0.995 14.024 23.173 1.00 75.52 C ATOM 1899 O ALA A 120 -1.642 13.577 24.122 1.00 63.24 O ATOM 1900 CB ALA A 120 -2.091 12.326 21.697 1.00 2.35 C ATOM 0 H ALA A 120 0.699 13.576 21.389 1.00 30.33 H new ATOM 0 HA ALA A 120 -2.033 14.440 21.359 1.00 74.50 H new ATOM 0 HB1 ALA A 120 -2.971 12.369 22.339 1.00 2.35 H new ATOM 0 HB2 ALA A 120 -2.399 12.110 20.674 1.00 2.35 H new ATOM 0 HB3 ALA A 120 -1.423 11.540 22.048 1.00 2.35 H new ATOM 1906 N ASP A 121 0.048 14.831 23.325 1.00 55.34 N ATOM 1907 CA ASP A 121 0.504 15.251 24.644 1.00 3.35 C ATOM 1908 C ASP A 121 0.176 16.720 24.891 1.00 1.23 C ATOM 1909 O ASP A 121 0.882 17.410 25.628 1.00 1.51 O ATOM 1910 CB ASP A 121 2.010 15.021 24.784 1.00 74.14 C ATOM 1911 CG ASP A 121 2.427 14.772 26.219 1.00 1.12 C ATOM 1912 OD1 ASP A 121 2.420 15.735 27.014 1.00 34.45 O ATOM 1913 OD2 ASP A 121 2.762 13.614 26.548 1.00 61.04 O ATOM 0 H ASP A 121 0.594 15.208 22.550 1.00 55.34 H new ATOM 0 HA ASP A 121 -0.018 14.651 25.389 1.00 3.35 H new ATOM 0 HB2 ASP A 121 2.303 14.169 24.171 1.00 74.14 H new ATOM 0 HB3 ASP A 121 2.544 15.889 24.399 1.00 74.14 H new ATOM 1918 N THR A 122 -0.900 17.194 24.270 1.00 4.12 N ATOM 1919 CA THR A 122 -1.320 18.582 24.421 1.00 72.44 C ATOM 1920 C THR A 122 -2.652 18.676 25.156 1.00 51.03 C ATOM 1921 O THR A 122 -2.951 19.685 25.792 1.00 44.33 O ATOM 1922 CB THR A 122 -1.451 19.280 23.053 1.00 35.10 C ATOM 1923 OG1 THR A 122 -2.034 20.577 23.220 1.00 11.11 O ATOM 1924 CG2 THR A 122 -2.304 18.453 22.103 1.00 73.11 C ATOM 0 H THR A 122 -1.496 16.637 23.658 1.00 4.12 H new ATOM 0 HA THR A 122 -0.549 19.085 25.006 1.00 72.44 H new ATOM 0 HB THR A 122 -0.454 19.382 22.624 1.00 35.10 H new ATOM 0 HG1 THR A 122 -2.113 21.015 22.347 1.00 11.11 H new ATOM 0 HG21 THR A 122 -2.382 18.966 21.144 1.00 73.11 H new ATOM 0 HG22 THR A 122 -1.842 17.477 21.956 1.00 73.11 H new ATOM 0 HG23 THR A 122 -3.300 18.323 22.527 1.00 73.11 H new ATOM 1932 N GLY A 123 -3.449 17.615 25.066 1.00 70.14 N ATOM 1933 CA GLY A 123 -4.740 17.599 25.729 1.00 51.14 C ATOM 1934 C GLY A 123 -5.102 16.227 26.260 1.00 22.15 C ATOM 1935 O GLY A 123 -6.264 15.824 26.220 1.00 4.12 O ATOM 0 H GLY A 123 -3.224 16.767 24.546 1.00 70.14 H new ATOM 0 HA2 GLY A 123 -4.731 18.313 26.552 1.00 51.14 H new ATOM 0 HA3 GLY A 123 -5.508 17.929 25.030 1.00 51.14 H new ATOM 1939 N ASN A 124 -4.103 15.506 26.760 1.00 70.44 N ATOM 1940 CA ASN A 124 -4.322 14.169 27.301 1.00 21.32 C ATOM 1941 C ASN A 124 -3.117 13.709 28.115 1.00 32.34 C ATOM 1942 O ASN A 124 -1.973 13.847 27.684 1.00 54.02 O ATOM 1943 CB ASN A 124 -4.595 13.177 26.169 1.00 23.51 C ATOM 1944 CG ASN A 124 -4.797 11.762 26.676 1.00 44.22 C ATOM 1945 OD1 ASN A 124 -5.898 11.385 27.077 1.00 50.02 O ATOM 1946 ND2 ASN A 124 -3.731 10.971 26.661 1.00 24.53 N ATOM 0 H ASN A 124 -3.135 15.825 26.802 1.00 70.44 H new ATOM 0 HA ASN A 124 -5.190 14.207 27.959 1.00 21.32 H new ATOM 0 HB2 ASN A 124 -5.481 13.493 25.619 1.00 23.51 H new ATOM 0 HB3 ASN A 124 -3.761 13.193 25.467 1.00 23.51 H new ATOM 0 HD21 ASN A 124 -3.805 10.009 26.991 1.00 24.53 H new ATOM 0 HD22 ASN A 124 -2.838 11.326 26.320 1.00 24.53 H new ATOM 1953 N ASN A 125 -3.383 13.160 29.297 1.00 61.22 N ATOM 1954 CA ASN A 125 -2.321 12.678 30.172 1.00 11.20 C ATOM 1955 C ASN A 125 -2.591 11.244 30.617 1.00 22.24 C ATOM 1956 O ASN A 125 -3.708 10.743 30.488 1.00 63.14 O ATOM 1957 CB ASN A 125 -2.189 13.587 31.396 1.00 13.14 C ATOM 1958 CG ASN A 125 -3.426 13.560 32.272 1.00 14.45 C ATOM 1959 OD1 ASN A 125 -4.523 13.245 31.809 1.00 63.51 O ATOM 1960 ND2 ASN A 125 -3.256 13.893 33.546 1.00 31.41 N ATOM 0 H ASN A 125 -4.325 13.038 29.670 1.00 61.22 H new ATOM 0 HA ASN A 125 -1.386 12.696 29.611 1.00 11.20 H new ATOM 0 HB2 ASN A 125 -1.324 13.278 31.983 1.00 13.14 H new ATOM 0 HB3 ASN A 125 -2.002 14.609 31.067 1.00 13.14 H new ATOM 0 HD21 ASN A 125 -4.052 13.894 34.183 1.00 31.41 H new ATOM 0 HD22 ASN A 125 -2.329 14.147 33.887 1.00 31.41 H new ATOM 1967 N SER A 126 -1.560 10.589 31.143 1.00 54.45 N ATOM 1968 CA SER A 126 -1.685 9.212 31.604 1.00 33.51 C ATOM 1969 C SER A 126 -1.633 9.142 33.127 1.00 23.25 C ATOM 1970 O SER A 126 -1.634 10.168 33.806 1.00 3.21 O ATOM 1971 CB SER A 126 -0.575 8.348 31.004 1.00 20.54 C ATOM 1972 OG SER A 126 -0.975 6.991 30.917 1.00 23.24 O ATOM 0 H SER A 126 -0.630 10.990 31.260 1.00 54.45 H new ATOM 0 HA SER A 126 -2.651 8.831 31.273 1.00 33.51 H new ATOM 0 HB2 SER A 126 -0.318 8.719 30.012 1.00 20.54 H new ATOM 0 HB3 SER A 126 0.323 8.427 31.617 1.00 20.54 H new ATOM 0 HG SER A 126 -0.249 6.460 30.529 1.00 23.24 H new ATOM 1978 N GLN A 127 -1.585 7.924 33.656 1.00 35.13 N ATOM 1979 CA GLN A 127 -1.533 7.720 35.100 1.00 62.42 C ATOM 1980 C GLN A 127 -0.644 6.529 35.449 1.00 53.52 C ATOM 1981 O GLN A 127 -1.084 5.381 35.412 1.00 30.04 O ATOM 1982 CB GLN A 127 -2.940 7.501 35.657 1.00 62.54 C ATOM 1983 CG GLN A 127 -3.901 8.638 35.349 1.00 64.23 C ATOM 1984 CD GLN A 127 -5.080 8.679 36.300 1.00 11.41 C ATOM 1985 OE1 GLN A 127 -5.481 7.657 36.855 1.00 71.21 O ATOM 1986 NE2 GLN A 127 -5.643 9.866 36.492 1.00 32.02 N ATOM 0 H GLN A 127 -1.581 7.064 33.108 1.00 35.13 H new ATOM 0 HA GLN A 127 -1.106 8.615 35.553 1.00 62.42 H new ATOM 0 HB2 GLN A 127 -3.343 6.575 35.248 1.00 62.54 H new ATOM 0 HB3 GLN A 127 -2.878 7.372 36.738 1.00 62.54 H new ATOM 0 HG2 GLN A 127 -3.365 9.586 35.400 1.00 64.23 H new ATOM 0 HG3 GLN A 127 -4.267 8.533 34.327 1.00 64.23 H new ATOM 0 HE21 GLN A 127 -5.277 10.688 36.011 1.00 32.02 H new ATOM 0 HE22 GLN A 127 -6.441 9.956 37.121 1.00 32.02 H new ATOM 1995 N VAL A 128 0.610 6.813 35.787 1.00 40.42 N ATOM 1996 CA VAL A 128 1.561 5.768 36.144 1.00 23.30 C ATOM 1997 C VAL A 128 2.877 6.364 36.630 1.00 65.43 C ATOM 1998 O VAL A 128 3.331 7.389 36.122 1.00 71.11 O ATOM 1999 CB VAL A 128 1.842 4.835 34.951 1.00 20.40 C ATOM 2000 CG1 VAL A 128 2.409 5.622 33.779 1.00 24.32 C ATOM 2001 CG2 VAL A 128 2.789 3.716 35.362 1.00 50.42 C ATOM 0 H VAL A 128 0.991 7.759 35.821 1.00 40.42 H new ATOM 0 HA VAL A 128 1.109 5.190 36.950 1.00 23.30 H new ATOM 0 HB VAL A 128 0.901 4.386 34.634 1.00 20.40 H new ATOM 0 HG11 VAL A 128 2.601 4.946 32.946 1.00 24.32 H new ATOM 0 HG12 VAL A 128 1.692 6.383 33.471 1.00 24.32 H new ATOM 0 HG13 VAL A 128 3.341 6.102 34.079 1.00 24.32 H new ATOM 0 HG21 VAL A 128 2.977 3.066 34.507 1.00 50.42 H new ATOM 0 HG22 VAL A 128 3.730 4.144 35.706 1.00 50.42 H new ATOM 0 HG23 VAL A 128 2.339 3.135 36.167 1.00 50.42 H new ATOM 2011 N SER A 129 3.486 5.713 37.617 1.00 12.41 N ATOM 2012 CA SER A 129 4.749 6.181 38.175 1.00 45.23 C ATOM 2013 C SER A 129 5.712 5.018 38.392 1.00 74.51 C ATOM 2014 O SER A 129 5.298 3.918 38.756 1.00 61.52 O ATOM 2015 CB SER A 129 4.508 6.912 39.497 1.00 75.43 C ATOM 2016 OG SER A 129 5.140 8.180 39.502 1.00 2.12 O ATOM 0 H SER A 129 3.125 4.861 38.046 1.00 12.41 H new ATOM 0 HA SER A 129 5.198 6.873 37.462 1.00 45.23 H new ATOM 0 HB2 SER A 129 3.437 7.036 39.658 1.00 75.43 H new ATOM 0 HB3 SER A 129 4.887 6.310 40.323 1.00 75.43 H new ATOM 0 HG SER A 129 4.969 8.627 40.357 1.00 2.12 H new ATOM 2022 N GLN A 130 6.996 5.269 38.166 1.00 0.41 N ATOM 2023 CA GLN A 130 8.018 4.243 38.336 1.00 51.24 C ATOM 2024 C GLN A 130 9.281 4.830 38.955 1.00 22.40 C ATOM 2025 O GLN A 130 9.417 6.046 39.078 1.00 10.31 O ATOM 2026 CB GLN A 130 8.349 3.596 36.989 1.00 34.33 C ATOM 2027 CG GLN A 130 7.541 2.339 36.704 1.00 40.43 C ATOM 2028 CD GLN A 130 8.201 1.444 35.675 1.00 73.43 C ATOM 2029 OE1 GLN A 130 7.655 1.212 34.595 1.00 4.00 O ATOM 2030 NE2 GLN A 130 9.381 0.932 36.004 1.00 1.31 N ATOM 0 H GLN A 130 7.355 6.175 37.864 1.00 0.41 H new ATOM 0 HA GLN A 130 7.625 3.482 39.010 1.00 51.24 H new ATOM 0 HB2 GLN A 130 8.172 4.320 36.194 1.00 34.33 H new ATOM 0 HB3 GLN A 130 9.410 3.349 36.965 1.00 34.33 H new ATOM 0 HG2 GLN A 130 7.404 1.782 37.631 1.00 40.43 H new ATOM 0 HG3 GLN A 130 6.549 2.621 36.352 1.00 40.43 H new ATOM 0 HE21 GLN A 130 9.797 1.150 36.909 1.00 1.31 H new ATOM 0 HE22 GLN A 130 9.871 0.320 35.351 1.00 1.31 H new ATOM 2039 N ASN A 131 10.204 3.956 39.344 1.00 21.03 N ATOM 2040 CA ASN A 131 11.457 4.387 39.954 1.00 45.34 C ATOM 2041 C ASN A 131 12.371 5.035 38.916 1.00 12.32 C ATOM 2042 O ASN A 131 13.115 4.350 38.215 1.00 34.43 O ATOM 2043 CB ASN A 131 12.169 3.199 40.604 1.00 14.53 C ATOM 2044 CG ASN A 131 11.721 2.971 42.035 1.00 13.44 C ATOM 2045 OD1 ASN A 131 10.524 2.925 42.323 1.00 22.45 O ATOM 2046 ND2 ASN A 131 12.682 2.830 42.940 1.00 10.12 N ATOM 0 H ASN A 131 10.108 2.945 39.248 1.00 21.03 H new ATOM 0 HA ASN A 131 11.224 5.125 40.721 1.00 45.34 H new ATOM 0 HB2 ASN A 131 11.978 2.300 40.018 1.00 14.53 H new ATOM 0 HB3 ASN A 131 13.245 3.369 40.586 1.00 14.53 H new ATOM 0 HD21 ASN A 131 12.442 2.676 43.919 1.00 10.12 H new ATOM 0 HD22 ASN A 131 13.661 2.875 42.656 1.00 10.12 H new ATOM 2053 N TYR A 132 12.309 6.359 38.827 1.00 50.23 N ATOM 2054 CA TYR A 132 13.128 7.099 37.874 1.00 21.15 C ATOM 2055 C TYR A 132 14.346 7.709 38.563 1.00 63.14 C ATOM 2056 O TYR A 132 15.486 7.416 38.205 1.00 73.40 O ATOM 2057 CB TYR A 132 12.303 8.199 37.206 1.00 53.24 C ATOM 2058 CG TYR A 132 12.615 8.383 35.738 1.00 11.41 C ATOM 2059 CD1 TYR A 132 12.217 7.439 34.800 1.00 22.42 C ATOM 2060 CD2 TYR A 132 13.308 9.501 35.289 1.00 22.34 C ATOM 2061 CE1 TYR A 132 12.500 7.602 33.458 1.00 51.32 C ATOM 2062 CE2 TYR A 132 13.594 9.673 33.949 1.00 42.14 C ATOM 2063 CZ TYR A 132 13.188 8.721 33.037 1.00 43.10 C ATOM 2064 OH TYR A 132 13.473 8.887 31.701 1.00 10.42 O ATOM 0 H TYR A 132 11.701 6.941 39.403 1.00 50.23 H new ATOM 0 HA TYR A 132 13.474 6.401 37.112 1.00 21.15 H new ATOM 0 HB2 TYR A 132 11.244 7.966 37.317 1.00 53.24 H new ATOM 0 HB3 TYR A 132 12.478 9.140 37.727 1.00 53.24 H new ATOM 0 HD1 TYR A 132 11.677 6.562 35.126 1.00 22.42 H new ATOM 0 HD2 TYR A 132 13.628 10.248 36.000 1.00 22.34 H new ATOM 0 HE1 TYR A 132 12.184 6.857 32.742 1.00 51.32 H new ATOM 0 HE2 TYR A 132 14.133 10.548 33.617 1.00 42.14 H new ATOM 0 HH TYR A 132 13.961 9.727 31.573 1.00 10.42 H new TER 2074 TYR A 132 HETATM 2075 C1 MYR A 1 10.035 9.826 -2.350 1.00 53.42 C HETATM 2076 O1 MYR A 1 9.539 10.440 -1.405 1.00 65.22 O HETATM 2077 C2 MYR A 1 10.657 8.457 -2.081 1.00 62.52 C HETATM 2078 C3 MYR A 1 9.754 7.257 -2.449 1.00 62.24 C HETATM 2079 C4 MYR A 1 9.794 6.150 -1.379 1.00 50.41 C HETATM 2080 C5 MYR A 1 9.600 4.748 -1.985 1.00 60.04 C HETATM 2081 C6 MYR A 1 8.435 3.985 -1.326 1.00 71.23 C HETATM 2082 C7 MYR A 1 7.099 4.740 -1.453 1.00 10.31 C HETATM 2083 C8 MYR A 1 5.988 3.862 -2.060 1.00 22.13 C HETATM 2084 C9 MYR A 1 4.600 4.523 -1.955 1.00 21.11 C HETATM 2085 C10 MYR A 1 3.515 3.725 -2.706 1.00 32.00 C HETATM 2086 C11 MYR A 1 2.624 2.853 -1.796 1.00 51.51 C HETATM 2087 C12 MYR A 1 1.760 3.654 -0.799 1.00 3.35 C HETATM 2088 C13 MYR A 1 0.384 3.005 -0.568 1.00 33.10 C HETATM 2089 C14 MYR A 1 0.481 1.475 -0.488 1.00 14.12 C HETATM 0 H143 MYR A 1 0.890 1.087 -1.421 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.134 1.195 0.338 1.00 14.12 H new HETATM 0 H141 MYR A 1 -0.512 1.056 -0.324 1.00 14.12 H new HETATM 0 H132 MYR A 1 -0.049 3.390 0.355 1.00 33.10 H new HETATM 0 H131 MYR A 1 -0.290 3.285 -1.378 1.00 33.10 H new HETATM 0 H122 MYR A 1 2.286 3.734 0.152 1.00 3.35 H new HETATM 0 H121 MYR A 1 1.623 4.668 -1.173 1.00 3.35 H new HETATM 0 H112 MYR A 1 1.969 2.247 -2.422 1.00 51.51 H new HETATM 0 H111 MYR A 1 3.258 2.164 -1.238 1.00 51.51 H new HETATM 0 H102 MYR A 1 2.882 4.422 -3.254 1.00 32.00 H new HETATM 0 H101 MYR A 1 3.997 3.084 -3.444 1.00 32.00 H new HETATM 0 H92 MYR A 1 4.321 4.613 -0.905 1.00 21.11 H new HETATM 0 H91 MYR A 1 4.650 5.534 -2.359 1.00 21.11 H new HETATM 0 H82 MYR A 1 6.216 3.664 -3.107 1.00 22.13 H new HETATM 0 H81 MYR A 1 5.969 2.899 -1.550 1.00 22.13 H new HETATM 0 H72 MYR A 1 6.786 5.089 -0.469 1.00 10.31 H new HETATM 0 H71 MYR A 1 7.241 5.624 -2.075 1.00 10.31 H new HETATM 0 H62 MYR A 1 8.340 3.002 -1.787 1.00 71.23 H new HETATM 0 H61 MYR A 1 8.660 3.822 -0.272 1.00 71.23 H new HETATM 0 H52 MYR A 1 9.413 4.839 -3.055 1.00 60.04 H new HETATM 0 H51 MYR A 1 10.519 4.174 -1.870 1.00 60.04 H new HETATM 0 H42 MYR A 1 10.749 6.188 -0.855 1.00 50.41 H new HETATM 0 H41 MYR A 1 9.016 6.335 -0.638 1.00 50.41 H new HETATM 0 H32 MYR A 1 8.728 7.602 -2.575 1.00 62.24 H new HETATM 0 H31 MYR A 1 10.072 6.846 -3.407 1.00 62.24 H new HETATM 0 H22 MYR A 1 11.589 8.379 -2.641 1.00 62.52 H new HETATM 0 H21 MYR A 1 10.914 8.391 -1.024 1.00 62.52 H new