USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 SER OG : rot -169:sc= 0.00264 USER MOD Set 1.2: A 77 GLN : amide:sc= 0.314 K(o=0.32,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 24:sc= 0.608 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 168:sc=-0.00557 (180deg=-0.115) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.236) USER MOD Single : A 27 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.8) USER MOD Single : A 28 LYS NZ :NH3+ -139:sc= -0.481 (180deg=-1.67!) USER MOD Single : A 31 ASN : amide:sc= -0.279 K(o=-0.28,f=-0.87) USER MOD Single : A 32 THR OG1 : rot 87:sc= 0.361 USER MOD Single : A 37 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= -0.0375 (180deg=-0.0648) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.18) USER MOD Single : A 57 SER OG : rot -75:sc= 0.126 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= -0.0614 (180deg=-1.29!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.885 K(o=-0.89,f=-2) USER MOD Single : A 66 THR OG1 : rot -72:sc= -0.139 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0826 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 165:sc= 0 (180deg=-0.108) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -121:sc= 0 (180deg=-0.515) USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0145) USER MOD Single : A 83 THR OG1 : rot -179:sc= 1.46 USER MOD Single : A 85 GLN : amide:sc= -2.03 K(o=-2,f=-3.3!) USER MOD Single : A 86 ASN : amide:sc= -0.294 K(o=-0.29,f=-3.7!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 2:sc= 1.17 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.7!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0.16 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.688 26.271 -11.353 1.00 60.03 N ATOM 2 CA GLY A 1 -11.287 26.843 -12.625 1.00 34.12 C ATOM 3 C GLY A 1 -9.935 26.338 -13.087 1.00 51.41 C ATOM 4 O GLY A 1 -9.841 25.626 -14.088 1.00 35.22 O ATOM 0 H1 GLY A 1 -12.618 26.648 -11.081 1.00 60.03 H new ATOM 0 H2 GLY A 1 -11.745 25.236 -11.440 1.00 60.03 H new ATOM 0 H3 GLY A 1 -10.988 26.519 -10.625 1.00 60.03 H new ATOM 0 HA2 GLY A 1 -12.037 26.606 -13.379 1.00 34.12 H new ATOM 0 HA3 GLY A 1 -11.255 27.929 -12.538 1.00 34.12 H new ATOM 8 N SER A 2 -8.886 26.708 -12.360 1.00 32.12 N ATOM 9 CA SER A 2 -7.531 26.292 -12.706 1.00 70.11 C ATOM 10 C SER A 2 -6.667 26.163 -11.455 1.00 2.52 C ATOM 11 O SER A 2 -7.131 26.399 -10.339 1.00 45.22 O ATOM 12 CB SER A 2 -6.900 27.293 -13.675 1.00 63.52 C ATOM 13 OG SER A 2 -6.880 26.779 -14.996 1.00 41.31 O ATOM 0 H SER A 2 -8.948 27.295 -11.528 1.00 32.12 H new ATOM 0 HA SER A 2 -7.588 25.317 -13.189 1.00 70.11 H new ATOM 0 HB2 SER A 2 -7.460 28.228 -13.653 1.00 63.52 H new ATOM 0 HB3 SER A 2 -5.884 27.523 -13.355 1.00 63.52 H new ATOM 0 HG SER A 2 -6.474 27.438 -15.597 1.00 41.31 H new ATOM 19 N SER A 3 -5.407 25.786 -11.650 1.00 45.31 N ATOM 20 CA SER A 3 -4.478 25.622 -10.538 1.00 43.21 C ATOM 21 C SER A 3 -3.696 26.908 -10.290 1.00 51.30 C ATOM 22 O SER A 3 -3.243 27.564 -11.227 1.00 41.35 O ATOM 23 CB SER A 3 -3.511 24.470 -10.821 1.00 25.23 C ATOM 24 OG SER A 3 -2.643 24.253 -9.723 1.00 75.51 O ATOM 0 H SER A 3 -5.006 25.589 -12.567 1.00 45.31 H new ATOM 0 HA SER A 3 -5.056 25.391 -9.643 1.00 43.21 H new ATOM 0 HB2 SER A 3 -4.075 23.560 -11.029 1.00 25.23 H new ATOM 0 HB3 SER A 3 -2.926 24.693 -11.713 1.00 25.23 H new ATOM 0 HG SER A 3 -2.036 23.511 -9.927 1.00 75.51 H new ATOM 30 N GLY A 4 -3.541 27.262 -9.017 1.00 4.01 N ATOM 31 CA GLY A 4 -2.813 28.469 -8.666 1.00 52.55 C ATOM 32 C GLY A 4 -2.710 28.667 -7.168 1.00 11.11 C ATOM 33 O GLY A 4 -1.656 29.045 -6.656 1.00 1.20 O ATOM 0 H GLY A 4 -3.906 26.735 -8.223 1.00 4.01 H new ATOM 0 HA2 GLY A 4 -1.811 28.423 -9.093 1.00 52.55 H new ATOM 0 HA3 GLY A 4 -3.310 29.332 -9.110 1.00 52.55 H new ATOM 37 N SER A 5 -3.807 28.413 -6.460 1.00 24.12 N ATOM 38 CA SER A 5 -3.835 28.572 -5.012 1.00 74.54 C ATOM 39 C SER A 5 -2.522 28.106 -4.388 1.00 11.15 C ATOM 40 O SER A 5 -2.160 26.933 -4.478 1.00 3.31 O ATOM 41 CB SER A 5 -5.003 27.784 -4.415 1.00 14.43 C ATOM 42 OG SER A 5 -4.863 26.396 -4.661 1.00 20.23 O ATOM 0 H SER A 5 -4.687 28.096 -6.867 1.00 24.12 H new ATOM 0 HA SER A 5 -3.967 29.631 -4.790 1.00 74.54 H new ATOM 0 HB2 SER A 5 -5.054 27.962 -3.341 1.00 14.43 H new ATOM 0 HB3 SER A 5 -5.941 28.139 -4.842 1.00 14.43 H new ATOM 0 HG SER A 5 -3.917 26.183 -4.802 1.00 20.23 H new ATOM 48 N SER A 6 -1.814 29.036 -3.754 1.00 61.25 N ATOM 49 CA SER A 6 -0.540 28.723 -3.118 1.00 30.00 C ATOM 50 C SER A 6 -0.731 28.430 -1.632 1.00 71.22 C ATOM 51 O SER A 6 -0.070 29.023 -0.782 1.00 32.41 O ATOM 52 CB SER A 6 0.441 29.882 -3.297 1.00 24.31 C ATOM 53 OG SER A 6 1.202 29.727 -4.485 1.00 14.00 O ATOM 0 H SER A 6 -2.101 30.011 -3.667 1.00 61.25 H new ATOM 0 HA SER A 6 -0.133 27.833 -3.597 1.00 30.00 H new ATOM 0 HB2 SER A 6 -0.106 30.824 -3.332 1.00 24.31 H new ATOM 0 HB3 SER A 6 1.109 29.933 -2.437 1.00 24.31 H new ATOM 0 HG SER A 6 1.821 30.481 -4.578 1.00 14.00 H new ATOM 59 N GLY A 7 -1.643 27.511 -1.330 1.00 53.21 N ATOM 60 CA GLY A 7 -1.906 27.155 0.053 1.00 63.14 C ATOM 61 C GLY A 7 -1.254 25.846 0.448 1.00 71.40 C ATOM 62 O GLY A 7 -1.356 25.416 1.597 1.00 12.22 O ATOM 0 H GLY A 7 -2.204 27.007 -2.017 1.00 53.21 H new ATOM 0 HA2 GLY A 7 -1.543 27.950 0.705 1.00 63.14 H new ATOM 0 HA3 GLY A 7 -2.982 27.083 0.208 1.00 63.14 H new ATOM 66 N GLU A 8 -0.582 25.209 -0.506 1.00 0.24 N ATOM 67 CA GLU A 8 0.088 23.939 -0.250 1.00 13.44 C ATOM 68 C GLU A 8 1.201 23.697 -1.266 1.00 23.21 C ATOM 69 O GLU A 8 1.150 24.166 -2.403 1.00 61.23 O ATOM 70 CB GLU A 8 -0.918 22.788 -0.295 1.00 71.40 C ATOM 71 CG GLU A 8 -1.403 22.349 1.077 1.00 70.34 C ATOM 72 CD GLU A 8 -2.878 22.622 1.290 1.00 43.43 C ATOM 73 OE1 GLU A 8 -3.699 22.067 0.532 1.00 55.34 O ATOM 74 OE2 GLU A 8 -3.213 23.394 2.214 1.00 64.44 O ATOM 0 H GLU A 8 -0.487 25.551 -1.462 1.00 0.24 H new ATOM 0 HA GLU A 8 0.531 23.985 0.745 1.00 13.44 H new ATOM 0 HB2 GLU A 8 -1.776 23.090 -0.895 1.00 71.40 H new ATOM 0 HB3 GLU A 8 -0.461 21.937 -0.799 1.00 71.40 H new ATOM 0 HG2 GLU A 8 -1.213 21.283 1.201 1.00 70.34 H new ATOM 0 HG3 GLU A 8 -0.827 22.867 1.844 1.00 70.34 H new ATOM 82 N PRO A 9 2.231 22.948 -0.846 1.00 61.23 N ATOM 83 CA PRO A 9 3.377 22.626 -1.703 1.00 55.11 C ATOM 84 C PRO A 9 3.007 21.664 -2.827 1.00 21.41 C ATOM 85 O PRO A 9 3.853 21.285 -3.635 1.00 63.22 O ATOM 86 CB PRO A 9 4.368 21.969 -0.740 1.00 42.11 C ATOM 87 CG PRO A 9 3.521 21.414 0.353 1.00 35.54 C ATOM 88 CD PRO A 9 2.358 22.359 0.497 1.00 31.52 C ATOM 0 HA PRO A 9 3.772 23.510 -2.204 1.00 55.11 H new ATOM 0 HB2 PRO A 9 4.940 21.184 -1.235 1.00 42.11 H new ATOM 0 HB3 PRO A 9 5.086 22.693 -0.356 1.00 42.11 H new ATOM 0 HG2 PRO A 9 3.179 20.408 0.109 1.00 35.54 H new ATOM 0 HG3 PRO A 9 4.083 21.342 1.284 1.00 35.54 H new ATOM 0 HD2 PRO A 9 1.449 21.836 0.794 1.00 31.52 H new ATOM 0 HD3 PRO A 9 2.550 23.120 1.253 1.00 31.52 H new ATOM 96 N ALA A 10 1.738 21.271 -2.870 1.00 0.23 N ATOM 97 CA ALA A 10 1.257 20.355 -3.896 1.00 53.42 C ATOM 98 C ALA A 10 1.606 18.912 -3.550 1.00 72.25 C ATOM 99 O ALA A 10 0.780 18.010 -3.701 1.00 11.25 O ATOM 100 CB ALA A 10 1.836 20.728 -5.252 1.00 12.14 C ATOM 0 H ALA A 10 1.025 21.573 -2.206 1.00 0.23 H new ATOM 0 HA ALA A 10 0.171 20.439 -3.942 1.00 53.42 H new ATOM 0 HB1 ALA A 10 1.468 20.035 -6.008 1.00 12.14 H new ATOM 0 HB2 ALA A 10 1.532 21.742 -5.511 1.00 12.14 H new ATOM 0 HB3 ALA A 10 2.924 20.675 -5.210 1.00 12.14 H new ATOM 106 N GLU A 11 2.833 18.698 -3.087 1.00 32.10 N ATOM 107 CA GLU A 11 3.291 17.362 -2.722 1.00 13.12 C ATOM 108 C GLU A 11 2.600 16.882 -1.448 1.00 21.11 C ATOM 109 O GLU A 11 2.244 15.708 -1.329 1.00 13.43 O ATOM 110 CB GLU A 11 4.808 17.355 -2.527 1.00 52.12 C ATOM 111 CG GLU A 11 5.585 17.117 -3.810 1.00 33.31 C ATOM 112 CD GLU A 11 6.583 18.222 -4.102 1.00 60.43 C ATOM 113 OE1 GLU A 11 7.798 17.981 -3.938 1.00 54.35 O ATOM 114 OE2 GLU A 11 6.150 19.325 -4.494 1.00 54.42 O ATOM 0 H GLU A 11 3.528 19.433 -2.956 1.00 32.10 H new ATOM 0 HA GLU A 11 3.034 16.681 -3.534 1.00 13.12 H new ATOM 0 HB2 GLU A 11 5.115 18.309 -2.098 1.00 52.12 H new ATOM 0 HB3 GLU A 11 5.070 16.581 -1.805 1.00 52.12 H new ATOM 0 HG2 GLU A 11 6.112 16.166 -3.740 1.00 33.31 H new ATOM 0 HG3 GLU A 11 4.887 17.034 -4.643 1.00 33.31 H new ATOM 122 N ILE A 12 2.417 17.795 -0.501 1.00 75.45 N ATOM 123 CA ILE A 12 1.769 17.464 0.763 1.00 31.32 C ATOM 124 C ILE A 12 0.287 17.168 0.561 1.00 24.34 C ATOM 125 O ILE A 12 -0.266 16.260 1.181 1.00 24.01 O ATOM 126 CB ILE A 12 1.919 18.604 1.787 1.00 22.22 C ATOM 127 CG1 ILE A 12 3.337 18.619 2.364 1.00 53.43 C ATOM 128 CG2 ILE A 12 0.891 18.454 2.899 1.00 14.21 C ATOM 129 CD1 ILE A 12 3.666 19.885 3.124 1.00 60.54 C ATOM 0 H ILE A 12 2.708 18.769 -0.584 1.00 75.45 H new ATOM 0 HA ILE A 12 2.265 16.573 1.148 1.00 31.32 H new ATOM 0 HB ILE A 12 1.744 19.553 1.280 1.00 22.22 H new ATOM 0 HG12 ILE A 12 3.459 17.764 3.028 1.00 53.43 H new ATOM 0 HG13 ILE A 12 4.053 18.496 1.551 1.00 53.43 H new ATOM 0 HG21 ILE A 12 1.009 19.267 3.616 1.00 14.21 H new ATOM 0 HG22 ILE A 12 -0.112 18.488 2.474 1.00 14.21 H new ATOM 0 HG23 ILE A 12 1.039 17.500 3.405 1.00 14.21 H new ATOM 0 HD11 ILE A 12 4.686 19.826 3.505 1.00 60.54 H new ATOM 0 HD12 ILE A 12 3.576 20.743 2.458 1.00 60.54 H new ATOM 0 HD13 ILE A 12 2.974 19.999 3.958 1.00 60.54 H new ATOM 141 N LYS A 13 -0.350 17.939 -0.314 1.00 31.15 N ATOM 142 CA LYS A 13 -1.768 17.759 -0.601 1.00 42.50 C ATOM 143 C LYS A 13 -2.050 16.338 -1.076 1.00 70.14 C ATOM 144 O LYS A 13 -2.982 15.688 -0.601 1.00 51.50 O ATOM 145 CB LYS A 13 -2.225 18.763 -1.663 1.00 12.33 C ATOM 146 CG LYS A 13 -2.709 18.112 -2.947 1.00 21.12 C ATOM 147 CD LYS A 13 -3.229 19.144 -3.934 1.00 34.43 C ATOM 148 CE LYS A 13 -4.584 19.690 -3.506 1.00 64.02 C ATOM 149 NZ LYS A 13 -5.576 19.640 -4.615 1.00 45.35 N ATOM 0 H LYS A 13 0.093 18.694 -0.837 1.00 31.15 H new ATOM 0 HA LYS A 13 -2.325 17.933 0.320 1.00 42.50 H new ATOM 0 HB2 LYS A 13 -3.027 19.375 -1.251 1.00 12.33 H new ATOM 0 HB3 LYS A 13 -1.399 19.435 -1.895 1.00 12.33 H new ATOM 0 HG2 LYS A 13 -1.892 17.551 -3.402 1.00 21.12 H new ATOM 0 HG3 LYS A 13 -3.498 17.396 -2.718 1.00 21.12 H new ATOM 0 HD2 LYS A 13 -2.515 19.963 -4.016 1.00 34.43 H new ATOM 0 HD3 LYS A 13 -3.313 18.694 -4.923 1.00 34.43 H new ATOM 0 HE2 LYS A 13 -4.957 19.114 -2.659 1.00 64.02 H new ATOM 0 HE3 LYS A 13 -4.470 20.719 -3.166 1.00 64.02 H new ATOM 0 HZ1 LYS A 13 -6.486 20.020 -4.284 1.00 45.35 H new ATOM 0 HZ2 LYS A 13 -5.232 20.210 -5.414 1.00 45.35 H new ATOM 0 HZ3 LYS A 13 -5.704 18.655 -4.922 1.00 45.35 H new ATOM 163 N ILE A 14 -1.240 15.859 -2.014 1.00 31.22 N ATOM 164 CA ILE A 14 -1.402 14.513 -2.550 1.00 3.51 C ATOM 165 C ILE A 14 -1.183 13.461 -1.469 1.00 32.32 C ATOM 166 O ILE A 14 -1.950 12.504 -1.355 1.00 3.34 O ATOM 167 CB ILE A 14 -0.427 14.250 -3.712 1.00 43.24 C ATOM 168 CG1 ILE A 14 -0.644 15.271 -4.831 1.00 23.24 C ATOM 169 CG2 ILE A 14 -0.603 12.833 -4.241 1.00 12.15 C ATOM 170 CD1 ILE A 14 0.447 15.262 -5.878 1.00 21.52 C ATOM 0 H ILE A 14 -0.464 16.383 -2.419 1.00 31.22 H new ATOM 0 HA ILE A 14 -2.424 14.441 -2.921 1.00 3.51 H new ATOM 0 HB ILE A 14 0.593 14.356 -3.341 1.00 43.24 H new ATOM 0 HG12 ILE A 14 -1.601 15.071 -5.313 1.00 23.24 H new ATOM 0 HG13 ILE A 14 -0.709 16.268 -4.395 1.00 23.24 H new ATOM 0 HG21 ILE A 14 0.093 12.662 -5.062 1.00 12.15 H new ATOM 0 HG22 ILE A 14 -0.404 12.119 -3.442 1.00 12.15 H new ATOM 0 HG23 ILE A 14 -1.624 12.702 -4.598 1.00 12.15 H new ATOM 0 HD11 ILE A 14 0.227 16.010 -6.639 1.00 21.52 H new ATOM 0 HD12 ILE A 14 1.404 15.492 -5.409 1.00 21.52 H new ATOM 0 HD13 ILE A 14 0.498 14.277 -6.342 1.00 21.52 H new ATOM 182 N ILE A 15 -0.133 13.646 -0.675 1.00 25.22 N ATOM 183 CA ILE A 15 0.185 12.713 0.400 1.00 3.34 C ATOM 184 C ILE A 15 -0.984 12.571 1.367 1.00 42.10 C ATOM 185 O ILE A 15 -1.190 11.510 1.956 1.00 73.32 O ATOM 186 CB ILE A 15 1.433 13.162 1.184 1.00 63.43 C ATOM 187 CG1 ILE A 15 2.674 13.090 0.292 1.00 3.11 C ATOM 188 CG2 ILE A 15 1.616 12.303 2.425 1.00 53.13 C ATOM 189 CD1 ILE A 15 3.801 13.988 0.751 1.00 5.34 C ATOM 0 H ILE A 15 0.511 14.433 -0.756 1.00 25.22 H new ATOM 0 HA ILE A 15 0.387 11.749 -0.067 1.00 3.34 H new ATOM 0 HB ILE A 15 1.294 14.196 1.499 1.00 63.43 H new ATOM 0 HG12 ILE A 15 3.030 12.060 0.261 1.00 3.11 H new ATOM 0 HG13 ILE A 15 2.396 13.361 -0.726 1.00 3.11 H new ATOM 0 HG21 ILE A 15 2.502 12.632 2.968 1.00 53.13 H new ATOM 0 HG22 ILE A 15 0.740 12.399 3.067 1.00 53.13 H new ATOM 0 HG23 ILE A 15 1.738 11.260 2.131 1.00 53.13 H new ATOM 0 HD11 ILE A 15 4.648 13.885 0.072 1.00 5.34 H new ATOM 0 HD12 ILE A 15 3.462 15.024 0.755 1.00 5.34 H new ATOM 0 HD13 ILE A 15 4.107 13.703 1.758 1.00 5.34 H new ATOM 201 N ARG A 16 -1.749 13.646 1.526 1.00 74.32 N ATOM 202 CA ARG A 16 -2.900 13.640 2.421 1.00 75.21 C ATOM 203 C ARG A 16 -3.988 12.705 1.902 1.00 41.33 C ATOM 204 O ARG A 16 -4.373 11.750 2.576 1.00 62.30 O ATOM 205 CB ARG A 16 -3.459 15.055 2.577 1.00 23.04 C ATOM 206 CG ARG A 16 -2.996 15.757 3.843 1.00 55.13 C ATOM 207 CD ARG A 16 -3.267 17.252 3.782 1.00 32.20 C ATOM 208 NE ARG A 16 -3.188 17.878 5.099 1.00 74.05 N ATOM 209 CZ ARG A 16 -3.484 19.153 5.326 1.00 72.50 C ATOM 210 NH1 ARG A 16 -3.878 19.933 4.330 1.00 23.12 N ATOM 211 NH2 ARG A 16 -3.389 19.648 6.554 1.00 4.24 N ATOM 0 H ARG A 16 -1.592 14.533 1.046 1.00 74.32 H new ATOM 0 HA ARG A 16 -2.569 13.278 3.395 1.00 75.21 H new ATOM 0 HB2 ARG A 16 -3.164 15.650 1.713 1.00 23.04 H new ATOM 0 HB3 ARG A 16 -4.548 15.009 2.575 1.00 23.04 H new ATOM 0 HG2 ARG A 16 -3.507 15.328 4.705 1.00 55.13 H new ATOM 0 HG3 ARG A 16 -1.929 15.585 3.986 1.00 55.13 H new ATOM 0 HD2 ARG A 16 -2.547 17.724 3.113 1.00 32.20 H new ATOM 0 HD3 ARG A 16 -4.256 17.424 3.358 1.00 32.20 H new ATOM 0 HE ARG A 16 -2.889 17.305 5.888 1.00 74.05 H new ATOM 0 HH11 ARG A 16 -3.955 19.555 3.386 1.00 23.12 H new ATOM 0 HH12 ARG A 16 -4.105 20.912 4.508 1.00 23.12 H new ATOM 0 HH21 ARG A 16 -3.089 19.049 7.323 1.00 4.24 H new ATOM 0 HH22 ARG A 16 -3.616 20.627 6.728 1.00 4.24 H new ATOM 225 N GLU A 17 -4.482 12.989 0.701 1.00 60.01 N ATOM 226 CA GLU A 17 -5.527 12.175 0.092 1.00 74.32 C ATOM 227 C GLU A 17 -5.099 10.712 0.012 1.00 61.31 C ATOM 228 O GLU A 17 -5.808 9.820 0.474 1.00 50.53 O ATOM 229 CB GLU A 17 -5.864 12.697 -1.305 1.00 31.22 C ATOM 230 CG GLU A 17 -7.243 12.287 -1.792 1.00 43.22 C ATOM 231 CD GLU A 17 -7.324 12.197 -3.305 1.00 51.41 C ATOM 232 OE1 GLU A 17 -7.202 11.075 -3.838 1.00 1.40 O ATOM 233 OE2 GLU A 17 -7.512 13.248 -3.953 1.00 32.23 O ATOM 0 H GLU A 17 -4.175 13.777 0.131 1.00 60.01 H new ATOM 0 HA GLU A 17 -6.416 12.242 0.719 1.00 74.32 H new ATOM 0 HB2 GLU A 17 -5.797 13.785 -1.303 1.00 31.22 H new ATOM 0 HB3 GLU A 17 -5.116 12.333 -2.010 1.00 31.22 H new ATOM 0 HG2 GLU A 17 -7.505 11.321 -1.360 1.00 43.22 H new ATOM 0 HG3 GLU A 17 -7.980 13.007 -1.434 1.00 43.22 H new ATOM 241 N ALA A 18 -3.934 10.475 -0.582 1.00 20.23 N ATOM 242 CA ALA A 18 -3.409 9.122 -0.723 1.00 34.22 C ATOM 243 C ALA A 18 -3.324 8.422 0.629 1.00 15.03 C ATOM 244 O ALA A 18 -3.747 7.275 0.773 1.00 61.12 O ATOM 245 CB ALA A 18 -2.042 9.153 -1.390 1.00 73.41 C ATOM 0 H ALA A 18 -3.336 11.202 -0.973 1.00 20.23 H new ATOM 0 HA ALA A 18 -4.096 8.557 -1.353 1.00 34.22 H new ATOM 0 HB1 ALA A 18 -1.662 8.136 -1.489 1.00 73.41 H new ATOM 0 HB2 ALA A 18 -2.129 9.605 -2.378 1.00 73.41 H new ATOM 0 HB3 ALA A 18 -1.354 9.740 -0.782 1.00 73.41 H new ATOM 251 N TYR A 19 -2.776 9.120 1.617 1.00 70.43 N ATOM 252 CA TYR A 19 -2.633 8.563 2.959 1.00 3.50 C ATOM 253 C TYR A 19 -3.984 8.119 3.510 1.00 65.21 C ATOM 254 O TYR A 19 -4.094 7.071 4.146 1.00 43.45 O ATOM 255 CB TYR A 19 -1.999 9.593 3.895 1.00 1.42 C ATOM 256 CG TYR A 19 -2.227 9.298 5.361 1.00 3.23 C ATOM 257 CD1 TYR A 19 -1.350 8.486 6.070 1.00 2.30 C ATOM 258 CD2 TYR A 19 -3.318 9.830 6.035 1.00 53.44 C ATOM 259 CE1 TYR A 19 -1.554 8.213 7.408 1.00 33.23 C ATOM 260 CE2 TYR A 19 -3.531 9.564 7.375 1.00 20.42 C ATOM 261 CZ TYR A 19 -2.644 8.755 8.056 1.00 52.10 C ATOM 262 OH TYR A 19 -2.853 8.486 9.390 1.00 33.34 O ATOM 0 H TYR A 19 -2.423 10.072 1.515 1.00 70.43 H new ATOM 0 HA TYR A 19 -1.983 7.690 2.897 1.00 3.50 H new ATOM 0 HB2 TYR A 19 -0.927 9.635 3.704 1.00 1.42 H new ATOM 0 HB3 TYR A 19 -2.402 10.579 3.664 1.00 1.42 H new ATOM 0 HD1 TYR A 19 -0.494 8.061 5.566 1.00 2.30 H new ATOM 0 HD2 TYR A 19 -4.013 10.463 5.503 1.00 53.44 H new ATOM 0 HE1 TYR A 19 -0.864 7.579 7.944 1.00 33.23 H new ATOM 0 HE2 TYR A 19 -4.385 9.986 7.885 1.00 20.42 H new ATOM 0 HH TYR A 19 -3.664 8.946 9.693 1.00 33.34 H new ATOM 272 N LYS A 20 -5.011 8.925 3.262 1.00 74.51 N ATOM 273 CA LYS A 20 -6.356 8.618 3.731 1.00 14.50 C ATOM 274 C LYS A 20 -6.906 7.377 3.034 1.00 13.02 C ATOM 275 O LYS A 20 -7.054 6.321 3.650 1.00 51.21 O ATOM 276 CB LYS A 20 -7.288 9.807 3.488 1.00 34.21 C ATOM 277 CG LYS A 20 -8.598 9.721 4.256 1.00 24.35 C ATOM 278 CD LYS A 20 -9.761 9.393 3.336 1.00 32.03 C ATOM 279 CE LYS A 20 -11.020 9.068 4.125 1.00 54.13 C ATOM 280 NZ LYS A 20 -11.374 10.157 5.078 1.00 63.22 N ATOM 0 H LYS A 20 -4.937 9.797 2.738 1.00 74.51 H new ATOM 0 HA LYS A 20 -6.303 8.419 4.801 1.00 14.50 H new ATOM 0 HB2 LYS A 20 -6.772 10.725 3.768 1.00 34.21 H new ATOM 0 HB3 LYS A 20 -7.505 9.876 2.422 1.00 34.21 H new ATOM 0 HG2 LYS A 20 -8.518 8.957 5.030 1.00 24.35 H new ATOM 0 HG3 LYS A 20 -8.788 10.668 4.761 1.00 24.35 H new ATOM 0 HD2 LYS A 20 -9.953 10.238 2.674 1.00 32.03 H new ATOM 0 HD3 LYS A 20 -9.498 8.546 2.703 1.00 32.03 H new ATOM 0 HE2 LYS A 20 -11.849 8.905 3.436 1.00 54.13 H new ATOM 0 HE3 LYS A 20 -10.874 8.138 4.674 1.00 54.13 H new ATOM 0 HZ1 LYS A 20 -12.334 9.998 5.446 1.00 63.22 H new ATOM 0 HZ2 LYS A 20 -10.697 10.161 5.867 1.00 63.22 H new ATOM 0 HZ3 LYS A 20 -11.339 11.073 4.587 1.00 63.22 H new ATOM 294 N LYS A 21 -7.203 7.511 1.746 1.00 11.33 N ATOM 295 CA LYS A 21 -7.733 6.401 0.964 1.00 41.00 C ATOM 296 C LYS A 21 -6.922 5.130 1.203 1.00 42.41 C ATOM 297 O LYS A 21 -7.478 4.038 1.306 1.00 3.53 O ATOM 298 CB LYS A 21 -7.725 6.751 -0.525 1.00 63.23 C ATOM 299 CG LYS A 21 -8.363 8.093 -0.839 1.00 21.13 C ATOM 300 CD LYS A 21 -9.186 8.037 -2.115 1.00 33.45 C ATOM 301 CE LYS A 21 -10.663 8.275 -1.837 1.00 32.34 C ATOM 302 NZ LYS A 21 -11.312 7.081 -1.228 1.00 13.12 N ATOM 0 H LYS A 21 -7.086 8.378 1.222 1.00 11.33 H new ATOM 0 HA LYS A 21 -8.759 6.221 1.284 1.00 41.00 H new ATOM 0 HB2 LYS A 21 -6.695 6.755 -0.883 1.00 63.23 H new ATOM 0 HB3 LYS A 21 -8.251 5.971 -1.076 1.00 63.23 H new ATOM 0 HG2 LYS A 21 -9.000 8.397 -0.008 1.00 21.13 H new ATOM 0 HG3 LYS A 21 -7.586 8.851 -0.939 1.00 21.13 H new ATOM 0 HD2 LYS A 21 -8.822 8.787 -2.817 1.00 33.45 H new ATOM 0 HD3 LYS A 21 -9.056 7.065 -2.591 1.00 33.45 H new ATOM 0 HE2 LYS A 21 -10.774 9.129 -1.169 1.00 32.34 H new ATOM 0 HE3 LYS A 21 -11.171 8.530 -2.767 1.00 32.34 H new ATOM 0 HZ1 LYS A 21 -12.314 7.051 -1.505 1.00 13.12 H new ATOM 0 HZ2 LYS A 21 -10.835 6.219 -1.561 1.00 13.12 H new ATOM 0 HZ3 LYS A 21 -11.241 7.138 -0.192 1.00 13.12 H new ATOM 316 N ALA A 22 -5.605 5.283 1.291 1.00 55.14 N ATOM 317 CA ALA A 22 -4.719 4.149 1.521 1.00 11.13 C ATOM 318 C ALA A 22 -5.014 3.485 2.861 1.00 52.22 C ATOM 319 O ALA A 22 -5.154 2.263 2.942 1.00 13.54 O ATOM 320 CB ALA A 22 -3.265 4.595 1.459 1.00 34.22 C ATOM 0 H ALA A 22 -5.128 6.181 1.207 1.00 55.14 H new ATOM 0 HA ALA A 22 -4.897 3.415 0.735 1.00 11.13 H new ATOM 0 HB1 ALA A 22 -2.614 3.738 1.633 1.00 34.22 H new ATOM 0 HB2 ALA A 22 -3.055 5.017 0.476 1.00 34.22 H new ATOM 0 HB3 ALA A 22 -3.083 5.350 2.224 1.00 34.22 H new ATOM 326 N PHE A 23 -5.109 4.296 3.910 1.00 72.51 N ATOM 327 CA PHE A 23 -5.386 3.784 5.248 1.00 35.14 C ATOM 328 C PHE A 23 -6.872 3.481 5.417 1.00 11.43 C ATOM 329 O PHE A 23 -7.277 2.800 6.360 1.00 32.41 O ATOM 330 CB PHE A 23 -4.936 4.794 6.306 1.00 71.11 C ATOM 331 CG PHE A 23 -3.662 4.406 7.000 1.00 20.53 C ATOM 332 CD1 PHE A 23 -3.683 3.556 8.094 1.00 24.34 C ATOM 333 CD2 PHE A 23 -2.441 4.892 6.557 1.00 14.14 C ATOM 334 CE1 PHE A 23 -2.512 3.197 8.734 1.00 2.13 C ATOM 335 CE2 PHE A 23 -1.267 4.537 7.194 1.00 2.12 C ATOM 336 CZ PHE A 23 -1.302 3.689 8.284 1.00 22.11 C ATOM 0 H PHE A 23 -4.999 5.309 3.860 1.00 72.51 H new ATOM 0 HA PHE A 23 -4.827 2.857 5.379 1.00 35.14 H new ATOM 0 HB2 PHE A 23 -4.802 5.767 5.834 1.00 71.11 H new ATOM 0 HB3 PHE A 23 -5.726 4.906 7.049 1.00 71.11 H new ATOM 0 HD1 PHE A 23 -4.626 3.169 8.451 1.00 24.34 H new ATOM 0 HD2 PHE A 23 -2.407 5.555 5.705 1.00 14.14 H new ATOM 0 HE1 PHE A 23 -2.543 2.533 9.585 1.00 2.13 H new ATOM 0 HE2 PHE A 23 -0.322 4.922 6.840 1.00 2.12 H new ATOM 0 HZ PHE A 23 -0.385 3.411 8.783 1.00 22.11 H new ATOM 346 N LEU A 24 -7.683 3.995 4.497 1.00 33.25 N ATOM 347 CA LEU A 24 -9.125 3.782 4.544 1.00 4.24 C ATOM 348 C LEU A 24 -9.481 2.366 4.103 1.00 20.32 C ATOM 349 O LEU A 24 -10.170 1.637 4.816 1.00 4.22 O ATOM 350 CB LEU A 24 -9.840 4.800 3.653 1.00 10.03 C ATOM 351 CG LEU A 24 -11.043 4.278 2.869 1.00 23.31 C ATOM 352 CD1 LEU A 24 -12.171 3.892 3.814 1.00 44.13 C ATOM 353 CD2 LEU A 24 -11.518 5.317 1.865 1.00 13.41 C ATOM 0 H LEU A 24 -7.366 4.562 3.710 1.00 33.25 H new ATOM 0 HA LEU A 24 -9.454 3.916 5.575 1.00 4.24 H new ATOM 0 HB2 LEU A 24 -10.171 5.630 4.277 1.00 10.03 H new ATOM 0 HB3 LEU A 24 -9.117 5.203 2.944 1.00 10.03 H new ATOM 0 HG LEU A 24 -10.735 3.387 2.321 1.00 23.31 H new ATOM 0 HD11 LEU A 24 -13.019 3.523 3.237 1.00 44.13 H new ATOM 0 HD12 LEU A 24 -11.826 3.112 4.492 1.00 44.13 H new ATOM 0 HD13 LEU A 24 -12.477 4.765 4.391 1.00 44.13 H new ATOM 0 HD21 LEU A 24 -12.375 4.927 1.316 1.00 13.41 H new ATOM 0 HD22 LEU A 24 -11.807 6.226 2.392 1.00 13.41 H new ATOM 0 HD23 LEU A 24 -10.712 5.543 1.167 1.00 13.41 H new ATOM 365 N PHE A 25 -9.003 1.982 2.923 1.00 74.12 N ATOM 366 CA PHE A 25 -9.269 0.652 2.387 1.00 74.21 C ATOM 367 C PHE A 25 -8.618 -0.423 3.251 1.00 55.12 C ATOM 368 O PHE A 25 -9.076 -1.565 3.293 1.00 43.12 O ATOM 369 CB PHE A 25 -8.757 0.547 0.949 1.00 32.25 C ATOM 370 CG PHE A 25 -9.490 1.433 -0.016 1.00 1.24 C ATOM 371 CD1 PHE A 25 -10.863 1.321 -0.175 1.00 30.13 C ATOM 372 CD2 PHE A 25 -8.808 2.380 -0.763 1.00 43.31 C ATOM 373 CE1 PHE A 25 -11.540 2.136 -1.063 1.00 74.31 C ATOM 374 CE2 PHE A 25 -9.481 3.197 -1.653 1.00 30.21 C ATOM 375 CZ PHE A 25 -10.849 3.075 -1.801 1.00 63.31 C ATOM 0 H PHE A 25 -8.430 2.573 2.321 1.00 74.12 H new ATOM 0 HA PHE A 25 -10.347 0.494 2.394 1.00 74.21 H new ATOM 0 HB2 PHE A 25 -7.697 0.801 0.930 1.00 32.25 H new ATOM 0 HB3 PHE A 25 -8.842 -0.487 0.616 1.00 32.25 H new ATOM 0 HD1 PHE A 25 -11.409 0.589 0.401 1.00 30.13 H new ATOM 0 HD2 PHE A 25 -7.739 2.481 -0.649 1.00 43.31 H new ATOM 0 HE1 PHE A 25 -12.609 2.038 -1.179 1.00 74.31 H new ATOM 0 HE2 PHE A 25 -8.938 3.929 -2.232 1.00 30.21 H new ATOM 0 HZ PHE A 25 -11.377 3.714 -2.493 1.00 63.31 H new ATOM 385 N VAL A 26 -7.545 -0.049 3.941 1.00 33.32 N ATOM 386 CA VAL A 26 -6.829 -0.981 4.806 1.00 60.24 C ATOM 387 C VAL A 26 -7.729 -1.491 5.927 1.00 24.44 C ATOM 388 O VAL A 26 -7.876 -2.697 6.117 1.00 33.20 O ATOM 389 CB VAL A 26 -5.578 -0.327 5.422 1.00 1.33 C ATOM 390 CG1 VAL A 26 -4.949 -1.249 6.456 1.00 43.32 C ATOM 391 CG2 VAL A 26 -4.577 0.034 4.336 1.00 14.31 C ATOM 0 H VAL A 26 -7.152 0.892 3.918 1.00 33.32 H new ATOM 0 HA VAL A 26 -6.520 -1.820 4.182 1.00 60.24 H new ATOM 0 HB VAL A 26 -5.879 0.592 5.925 1.00 1.33 H new ATOM 0 HG11 VAL A 26 -4.066 -0.771 6.881 1.00 43.32 H new ATOM 0 HG12 VAL A 26 -5.669 -1.452 7.249 1.00 43.32 H new ATOM 0 HG13 VAL A 26 -4.660 -2.186 5.980 1.00 43.32 H new ATOM 0 HG21 VAL A 26 -3.699 0.495 4.789 1.00 14.31 H new ATOM 0 HG22 VAL A 26 -4.278 -0.868 3.802 1.00 14.31 H new ATOM 0 HG23 VAL A 26 -5.035 0.734 3.637 1.00 14.31 H new ATOM 401 N ASN A 27 -8.327 -0.563 6.666 1.00 74.21 N ATOM 402 CA ASN A 27 -9.212 -0.919 7.770 1.00 63.10 C ATOM 403 C ASN A 27 -10.237 -1.961 7.331 1.00 5.45 C ATOM 404 O ASN A 27 -10.593 -2.858 8.094 1.00 20.32 O ATOM 405 CB ASN A 27 -9.928 0.326 8.298 1.00 54.45 C ATOM 406 CG ASN A 27 -9.247 0.910 9.520 1.00 71.21 C ATOM 407 OD1 ASN A 27 -8.779 0.178 10.392 1.00 13.30 O ATOM 408 ND2 ASN A 27 -9.188 2.235 9.588 1.00 24.50 N ATOM 0 H ASN A 27 -8.215 0.440 6.521 1.00 74.21 H new ATOM 0 HA ASN A 27 -8.604 -1.346 8.567 1.00 63.10 H new ATOM 0 HB2 ASN A 27 -9.967 1.080 7.512 1.00 54.45 H new ATOM 0 HB3 ASN A 27 -10.958 0.071 8.547 1.00 54.45 H new ATOM 0 HD21 ASN A 27 -8.741 2.685 10.387 1.00 24.50 H new ATOM 0 HD22 ASN A 27 -9.590 2.802 8.842 1.00 24.50 H new ATOM 415 N LYS A 28 -10.708 -1.836 6.094 1.00 35.45 N ATOM 416 CA LYS A 28 -11.690 -2.766 5.551 1.00 72.24 C ATOM 417 C LYS A 28 -11.055 -4.125 5.271 1.00 43.41 C ATOM 418 O LYS A 28 -11.532 -5.154 5.748 1.00 53.24 O ATOM 419 CB LYS A 28 -12.301 -2.203 4.266 1.00 15.12 C ATOM 420 CG LYS A 28 -13.313 -1.096 4.508 1.00 73.10 C ATOM 421 CD LYS A 28 -13.149 0.038 3.511 1.00 41.11 C ATOM 422 CE LYS A 28 -14.447 0.809 3.327 1.00 24.01 C ATOM 423 NZ LYS A 28 -15.604 -0.099 3.092 1.00 33.45 N ATOM 0 H LYS A 28 -10.425 -1.099 5.449 1.00 35.45 H new ATOM 0 HA LYS A 28 -12.478 -2.898 6.293 1.00 72.24 H new ATOM 0 HB2 LYS A 28 -11.502 -1.821 3.631 1.00 15.12 H new ATOM 0 HB3 LYS A 28 -12.784 -3.012 3.718 1.00 15.12 H new ATOM 0 HG2 LYS A 28 -14.322 -1.502 4.435 1.00 73.10 H new ATOM 0 HG3 LYS A 28 -13.197 -0.711 5.521 1.00 73.10 H new ATOM 0 HD2 LYS A 28 -12.367 0.716 3.854 1.00 41.11 H new ATOM 0 HD3 LYS A 28 -12.824 -0.364 2.551 1.00 41.11 H new ATOM 0 HE2 LYS A 28 -14.637 1.417 4.212 1.00 24.01 H new ATOM 0 HE3 LYS A 28 -14.346 1.494 2.485 1.00 24.01 H new ATOM 0 HZ1 LYS A 28 -16.217 0.303 2.354 1.00 33.45 H new ATOM 0 HZ2 LYS A 28 -15.258 -1.030 2.785 1.00 33.45 H new ATOM 0 HZ3 LYS A 28 -16.147 -0.205 3.973 1.00 33.45 H new ATOM 437 N GLY A 29 -9.976 -4.120 4.496 1.00 63.21 N ATOM 438 CA GLY A 29 -9.293 -5.359 4.167 1.00 4.24 C ATOM 439 C GLY A 29 -9.317 -6.354 5.309 1.00 22.53 C ATOM 440 O GLY A 29 -9.696 -7.511 5.126 1.00 72.11 O ATOM 0 H GLY A 29 -9.562 -3.281 4.090 1.00 63.21 H new ATOM 0 HA2 GLY A 29 -9.760 -5.806 3.290 1.00 4.24 H new ATOM 0 HA3 GLY A 29 -8.259 -5.141 3.901 1.00 4.24 H new ATOM 444 N LEU A 30 -8.909 -5.907 6.491 1.00 24.45 N ATOM 445 CA LEU A 30 -8.883 -6.767 7.668 1.00 15.13 C ATOM 446 C LEU A 30 -10.285 -7.258 8.015 1.00 50.22 C ATOM 447 O LEU A 30 -10.487 -8.438 8.299 1.00 73.14 O ATOM 448 CB LEU A 30 -8.284 -6.018 8.859 1.00 35.23 C ATOM 449 CG LEU A 30 -6.757 -6.000 8.943 1.00 13.45 C ATOM 450 CD1 LEU A 30 -6.289 -4.924 9.911 1.00 40.01 C ATOM 451 CD2 LEU A 30 -6.229 -7.364 9.362 1.00 44.43 C ATOM 0 H LEU A 30 -8.591 -4.953 6.660 1.00 24.45 H new ATOM 0 HA LEU A 30 -8.260 -7.632 7.441 1.00 15.13 H new ATOM 0 HB2 LEU A 30 -8.638 -4.988 8.830 1.00 35.23 H new ATOM 0 HB3 LEU A 30 -8.673 -6.463 9.775 1.00 35.23 H new ATOM 0 HG LEU A 30 -6.360 -5.768 7.954 1.00 13.45 H new ATOM 0 HD11 LEU A 30 -5.200 -4.926 9.958 1.00 40.01 H new ATOM 0 HD12 LEU A 30 -6.636 -3.950 9.567 1.00 40.01 H new ATOM 0 HD13 LEU A 30 -6.695 -5.125 10.902 1.00 40.01 H new ATOM 0 HD21 LEU A 30 -5.141 -7.332 9.416 1.00 44.43 H new ATOM 0 HD22 LEU A 30 -6.634 -7.626 10.340 1.00 44.43 H new ATOM 0 HD23 LEU A 30 -6.534 -8.113 8.631 1.00 44.43 H new ATOM 463 N ASN A 31 -11.252 -6.346 7.985 1.00 25.23 N ATOM 464 CA ASN A 31 -12.634 -6.686 8.293 1.00 1.41 C ATOM 465 C ASN A 31 -13.170 -7.728 7.315 1.00 24.12 C ATOM 466 O ASN A 31 -13.862 -8.667 7.708 1.00 1.33 O ATOM 467 CB ASN A 31 -13.511 -5.432 8.251 1.00 73.31 C ATOM 468 CG ASN A 31 -14.940 -5.740 7.844 1.00 21.12 C ATOM 469 OD1 ASN A 31 -15.266 -5.765 6.657 1.00 61.22 O ATOM 470 ND2 ASN A 31 -15.798 -5.973 8.829 1.00 41.42 N ATOM 0 H ASN A 31 -11.102 -5.365 7.750 1.00 25.23 H new ATOM 0 HA ASN A 31 -12.663 -7.108 9.297 1.00 1.41 H new ATOM 0 HB2 ASN A 31 -13.510 -4.958 9.232 1.00 73.31 H new ATOM 0 HB3 ASN A 31 -13.083 -4.715 7.550 1.00 73.31 H new ATOM 0 HD21 ASN A 31 -16.773 -6.184 8.617 1.00 41.42 H new ATOM 0 HD22 ASN A 31 -15.482 -5.941 9.798 1.00 41.42 H new ATOM 477 N THR A 32 -12.844 -7.555 6.038 1.00 2.21 N ATOM 478 CA THR A 32 -13.291 -8.478 5.003 1.00 35.10 C ATOM 479 C THR A 32 -12.809 -9.897 5.285 1.00 23.44 C ATOM 480 O THR A 32 -13.553 -10.861 5.116 1.00 55.53 O ATOM 481 CB THR A 32 -12.794 -8.046 3.611 1.00 22.22 C ATOM 482 OG1 THR A 32 -11.883 -6.947 3.736 1.00 2.40 O ATOM 483 CG2 THR A 32 -13.960 -7.645 2.719 1.00 72.20 C ATOM 0 H THR A 32 -12.271 -6.783 5.696 1.00 2.21 H new ATOM 0 HA THR A 32 -14.381 -8.459 5.013 1.00 35.10 H new ATOM 0 HB THR A 32 -12.282 -8.893 3.154 1.00 22.22 H new ATOM 0 HG1 THR A 32 -10.977 -7.289 3.886 1.00 2.40 H new ATOM 0 HG21 THR A 32 -13.583 -7.344 1.741 1.00 72.20 H new ATOM 0 HG22 THR A 32 -14.637 -8.492 2.602 1.00 72.20 H new ATOM 0 HG23 THR A 32 -14.496 -6.812 3.174 1.00 72.20 H new ATOM 491 N ASP A 33 -11.557 -10.015 5.717 1.00 45.22 N ATOM 492 CA ASP A 33 -10.975 -11.316 6.024 1.00 63.31 C ATOM 493 C ASP A 33 -11.736 -11.998 7.156 1.00 70.11 C ATOM 494 O ASP A 33 -12.171 -13.141 7.023 1.00 73.15 O ATOM 495 CB ASP A 33 -9.501 -11.162 6.403 1.00 43.10 C ATOM 496 CG ASP A 33 -8.813 -12.498 6.603 1.00 11.14 C ATOM 497 OD1 ASP A 33 -9.152 -13.456 5.877 1.00 1.43 O ATOM 498 OD2 ASP A 33 -7.934 -12.586 7.485 1.00 21.04 O ATOM 0 H ASP A 33 -10.927 -9.226 5.862 1.00 45.22 H new ATOM 0 HA ASP A 33 -11.050 -11.940 5.133 1.00 63.31 H new ATOM 0 HB2 ASP A 33 -8.984 -10.604 5.622 1.00 43.10 H new ATOM 0 HB3 ASP A 33 -9.423 -10.576 7.319 1.00 43.10 H new ATOM 504 N GLU A 34 -11.892 -11.288 8.270 1.00 63.04 N ATOM 505 CA GLU A 34 -12.599 -11.828 9.426 1.00 4.45 C ATOM 506 C GLU A 34 -14.020 -12.237 9.052 1.00 65.00 C ATOM 507 O GLU A 34 -14.526 -13.258 9.517 1.00 52.24 O ATOM 508 CB GLU A 34 -12.633 -10.797 10.556 1.00 51.51 C ATOM 509 CG GLU A 34 -13.097 -9.419 10.110 1.00 70.44 C ATOM 510 CD GLU A 34 -13.087 -8.407 11.238 1.00 64.40 C ATOM 511 OE1 GLU A 34 -11.990 -7.929 11.596 1.00 63.31 O ATOM 512 OE2 GLU A 34 -14.175 -8.092 11.763 1.00 75.44 O ATOM 0 H GLU A 34 -11.539 -10.339 8.396 1.00 63.04 H new ATOM 0 HA GLU A 34 -12.063 -12.714 9.768 1.00 4.45 H new ATOM 0 HB2 GLU A 34 -13.294 -11.156 11.344 1.00 51.51 H new ATOM 0 HB3 GLU A 34 -11.637 -10.713 10.990 1.00 51.51 H new ATOM 0 HG2 GLU A 34 -12.453 -9.066 9.305 1.00 70.44 H new ATOM 0 HG3 GLU A 34 -14.105 -9.493 9.703 1.00 70.44 H new ATOM 520 N LEU A 35 -14.658 -11.433 8.208 1.00 52.13 N ATOM 521 CA LEU A 35 -16.023 -11.710 7.772 1.00 22.30 C ATOM 522 C LEU A 35 -16.094 -13.033 7.016 1.00 12.04 C ATOM 523 O LEU A 35 -17.103 -13.736 7.067 1.00 12.24 O ATOM 524 CB LEU A 35 -16.535 -10.574 6.883 1.00 33.00 C ATOM 525 CG LEU A 35 -17.294 -9.455 7.597 1.00 51.23 C ATOM 526 CD1 LEU A 35 -16.540 -9.005 8.838 1.00 10.43 C ATOM 527 CD2 LEU A 35 -17.524 -8.283 6.655 1.00 11.15 C ATOM 0 H LEU A 35 -14.253 -10.585 7.812 1.00 52.13 H new ATOM 0 HA LEU A 35 -16.654 -11.784 8.658 1.00 22.30 H new ATOM 0 HB2 LEU A 35 -15.684 -10.134 6.363 1.00 33.00 H new ATOM 0 HB3 LEU A 35 -17.188 -11.001 6.122 1.00 33.00 H new ATOM 0 HG LEU A 35 -18.265 -9.841 7.908 1.00 51.23 H new ATOM 0 HD11 LEU A 35 -17.096 -8.208 9.332 1.00 10.43 H new ATOM 0 HD12 LEU A 35 -16.428 -9.847 9.521 1.00 10.43 H new ATOM 0 HD13 LEU A 35 -15.555 -8.636 8.552 1.00 10.43 H new ATOM 0 HD21 LEU A 35 -18.065 -7.496 7.179 1.00 11.15 H new ATOM 0 HD22 LEU A 35 -16.564 -7.897 6.313 1.00 11.15 H new ATOM 0 HD23 LEU A 35 -18.108 -8.615 5.797 1.00 11.15 H new ATOM 539 N GLY A 36 -15.015 -13.368 6.315 1.00 5.53 N ATOM 540 CA GLY A 36 -14.975 -14.606 5.561 1.00 62.15 C ATOM 541 C GLY A 36 -15.088 -14.380 4.065 1.00 13.33 C ATOM 542 O GLY A 36 -15.590 -15.235 3.339 1.00 14.40 O ATOM 0 H GLY A 36 -14.168 -12.803 6.256 1.00 5.53 H new ATOM 0 HA2 GLY A 36 -14.043 -15.129 5.777 1.00 62.15 H new ATOM 0 HA3 GLY A 36 -15.788 -15.254 5.890 1.00 62.15 H new ATOM 546 N GLN A 37 -14.620 -13.223 3.609 1.00 4.51 N ATOM 547 CA GLN A 37 -14.675 -12.885 2.190 1.00 2.04 C ATOM 548 C GLN A 37 -13.301 -13.030 1.544 1.00 2.41 C ATOM 549 O GLN A 37 -12.348 -12.353 1.929 1.00 60.41 O ATOM 550 CB GLN A 37 -15.192 -11.458 2.004 1.00 24.32 C ATOM 551 CG GLN A 37 -16.545 -11.211 2.654 1.00 65.01 C ATOM 552 CD GLN A 37 -17.558 -12.287 2.319 1.00 65.20 C ATOM 553 OE1 GLN A 37 -17.438 -12.975 1.305 1.00 33.01 O ATOM 554 NE2 GLN A 37 -18.564 -12.438 3.172 1.00 73.22 N ATOM 0 H GLN A 37 -14.199 -12.505 4.199 1.00 4.51 H new ATOM 0 HA GLN A 37 -15.361 -13.578 1.702 1.00 2.04 H new ATOM 0 HB2 GLN A 37 -14.465 -10.760 2.420 1.00 24.32 H new ATOM 0 HB3 GLN A 37 -15.266 -11.243 0.938 1.00 24.32 H new ATOM 0 HG2 GLN A 37 -16.420 -11.159 3.736 1.00 65.01 H new ATOM 0 HG3 GLN A 37 -16.928 -10.243 2.330 1.00 65.01 H new ATOM 0 HE21 GLN A 37 -18.624 -11.845 4.000 1.00 73.22 H new ATOM 0 HE22 GLN A 37 -19.277 -13.147 2.999 1.00 73.22 H new ATOM 563 N LYS A 38 -13.206 -13.917 0.559 1.00 42.10 N ATOM 564 CA LYS A 38 -11.950 -14.151 -0.142 1.00 41.21 C ATOM 565 C LYS A 38 -11.738 -13.112 -1.239 1.00 35.42 C ATOM 566 O LYS A 38 -10.656 -12.538 -1.362 1.00 62.20 O ATOM 567 CB LYS A 38 -11.934 -15.556 -0.747 1.00 50.43 C ATOM 568 CG LYS A 38 -12.437 -16.632 0.201 1.00 51.30 C ATOM 569 CD LYS A 38 -11.937 -16.405 1.618 1.00 65.42 C ATOM 570 CE LYS A 38 -12.527 -17.419 2.586 1.00 14.22 C ATOM 571 NZ LYS A 38 -11.484 -18.025 3.459 1.00 73.22 N ATOM 0 H LYS A 38 -13.985 -14.486 0.228 1.00 42.10 H new ATOM 0 HA LYS A 38 -11.138 -14.063 0.580 1.00 41.21 H new ATOM 0 HB2 LYS A 38 -12.547 -15.562 -1.648 1.00 50.43 H new ATOM 0 HB3 LYS A 38 -10.916 -15.799 -1.053 1.00 50.43 H new ATOM 0 HG2 LYS A 38 -13.527 -16.642 0.196 1.00 51.30 H new ATOM 0 HG3 LYS A 38 -12.108 -17.610 -0.150 1.00 51.30 H new ATOM 0 HD2 LYS A 38 -10.849 -16.473 1.636 1.00 65.42 H new ATOM 0 HD3 LYS A 38 -12.199 -15.397 1.940 1.00 65.42 H new ATOM 0 HE2 LYS A 38 -13.281 -16.934 3.205 1.00 14.22 H new ATOM 0 HE3 LYS A 38 -13.033 -18.205 2.025 1.00 14.22 H new ATOM 0 HZ1 LYS A 38 -11.926 -18.710 4.104 1.00 73.22 H new ATOM 0 HZ2 LYS A 38 -10.777 -18.510 2.870 1.00 73.22 H new ATOM 0 HZ3 LYS A 38 -11.019 -17.278 4.014 1.00 73.22 H new ATOM 585 N GLU A 39 -12.778 -12.874 -2.032 1.00 31.12 N ATOM 586 CA GLU A 39 -12.704 -11.904 -3.118 1.00 30.01 C ATOM 587 C GLU A 39 -12.634 -10.481 -2.571 1.00 21.00 C ATOM 588 O GLU A 39 -11.679 -9.751 -2.834 1.00 4.12 O ATOM 589 CB GLU A 39 -13.913 -12.048 -4.044 1.00 41.30 C ATOM 590 CG GLU A 39 -14.372 -13.483 -4.227 1.00 44.04 C ATOM 591 CD GLU A 39 -15.123 -13.695 -5.528 1.00 15.21 C ATOM 592 OE1 GLU A 39 -14.524 -14.250 -6.474 1.00 13.45 O ATOM 593 OE2 GLU A 39 -16.308 -13.306 -5.601 1.00 25.45 O ATOM 0 H GLU A 39 -13.681 -13.339 -1.943 1.00 31.12 H new ATOM 0 HA GLU A 39 -11.795 -12.102 -3.687 1.00 30.01 H new ATOM 0 HB2 GLU A 39 -14.739 -11.460 -3.644 1.00 41.30 H new ATOM 0 HB3 GLU A 39 -13.665 -11.628 -5.019 1.00 41.30 H new ATOM 0 HG2 GLU A 39 -13.505 -14.144 -4.200 1.00 44.04 H new ATOM 0 HG3 GLU A 39 -15.013 -13.765 -3.392 1.00 44.04 H new ATOM 601 N GLU A 40 -13.652 -10.095 -1.810 1.00 43.41 N ATOM 602 CA GLU A 40 -13.706 -8.759 -1.228 1.00 51.21 C ATOM 603 C GLU A 40 -12.344 -8.350 -0.676 1.00 24.01 C ATOM 604 O GLU A 40 -11.706 -7.429 -1.187 1.00 62.13 O ATOM 605 CB GLU A 40 -14.755 -8.705 -0.115 1.00 74.03 C ATOM 606 CG GLU A 40 -16.160 -9.043 -0.586 1.00 70.32 C ATOM 607 CD GLU A 40 -16.205 -9.437 -2.050 1.00 11.41 C ATOM 608 OE1 GLU A 40 -16.104 -8.535 -2.909 1.00 53.23 O ATOM 609 OE2 GLU A 40 -16.343 -10.645 -2.337 1.00 21.45 O ATOM 0 H GLU A 40 -14.450 -10.688 -1.582 1.00 43.41 H new ATOM 0 HA GLU A 40 -13.985 -8.059 -2.016 1.00 51.21 H new ATOM 0 HB2 GLU A 40 -14.469 -9.398 0.676 1.00 74.03 H new ATOM 0 HB3 GLU A 40 -14.758 -7.706 0.322 1.00 74.03 H new ATOM 0 HG2 GLU A 40 -16.555 -9.859 0.019 1.00 70.32 H new ATOM 0 HG3 GLU A 40 -16.810 -8.183 -0.425 1.00 70.32 H new ATOM 617 N ALA A 41 -11.905 -9.039 0.371 1.00 65.32 N ATOM 618 CA ALA A 41 -10.618 -8.750 0.992 1.00 64.23 C ATOM 619 C ALA A 41 -9.531 -8.560 -0.061 1.00 41.30 C ATOM 620 O ALA A 41 -8.868 -7.524 -0.104 1.00 23.41 O ATOM 621 CB ALA A 41 -10.233 -9.864 1.954 1.00 21.22 C ATOM 0 H ALA A 41 -12.422 -9.802 0.808 1.00 65.32 H new ATOM 0 HA ALA A 41 -10.714 -7.819 1.551 1.00 64.23 H new ATOM 0 HB1 ALA A 41 -9.270 -9.634 2.410 1.00 21.22 H new ATOM 0 HB2 ALA A 41 -10.991 -9.951 2.732 1.00 21.22 H new ATOM 0 HB3 ALA A 41 -10.161 -10.806 1.410 1.00 21.22 H new ATOM 627 N LYS A 42 -9.353 -9.567 -0.911 1.00 0.43 N ATOM 628 CA LYS A 42 -8.347 -9.511 -1.964 1.00 22.21 C ATOM 629 C LYS A 42 -8.487 -8.232 -2.783 1.00 50.42 C ATOM 630 O LYS A 42 -7.527 -7.768 -3.397 1.00 74.23 O ATOM 631 CB LYS A 42 -8.470 -10.732 -2.879 1.00 43.43 C ATOM 632 CG LYS A 42 -7.637 -11.917 -2.428 1.00 22.52 C ATOM 633 CD LYS A 42 -7.479 -12.944 -3.536 1.00 72.24 C ATOM 634 CE LYS A 42 -8.686 -13.868 -3.616 1.00 2.13 C ATOM 635 NZ LYS A 42 -8.639 -14.739 -4.822 1.00 30.42 N ATOM 0 H LYS A 42 -9.893 -10.432 -0.890 1.00 0.43 H new ATOM 0 HA LYS A 42 -7.364 -9.514 -1.494 1.00 22.21 H new ATOM 0 HB2 LYS A 42 -9.516 -11.033 -2.930 1.00 43.43 H new ATOM 0 HB3 LYS A 42 -8.169 -10.451 -3.888 1.00 43.43 H new ATOM 0 HG2 LYS A 42 -6.654 -11.571 -2.109 1.00 22.52 H new ATOM 0 HG3 LYS A 42 -8.107 -12.384 -1.562 1.00 22.52 H new ATOM 0 HD2 LYS A 42 -7.346 -12.434 -4.490 1.00 72.24 H new ATOM 0 HD3 LYS A 42 -6.579 -13.534 -3.362 1.00 72.24 H new ATOM 0 HE2 LYS A 42 -8.728 -14.489 -2.721 1.00 2.13 H new ATOM 0 HE3 LYS A 42 -9.599 -13.272 -3.634 1.00 2.13 H new ATOM 0 HZ1 LYS A 42 -9.517 -15.292 -4.885 1.00 30.42 H new ATOM 0 HZ2 LYS A 42 -8.539 -14.149 -5.673 1.00 30.42 H new ATOM 0 HZ3 LYS A 42 -7.827 -15.385 -4.752 1.00 30.42 H new ATOM 649 N ASN A 43 -9.690 -7.665 -2.787 1.00 1.00 N ATOM 650 CA ASN A 43 -9.955 -6.439 -3.531 1.00 14.32 C ATOM 651 C ASN A 43 -9.664 -5.212 -2.674 1.00 2.24 C ATOM 652 O ASN A 43 -9.157 -4.203 -3.167 1.00 1.03 O ATOM 653 CB ASN A 43 -11.409 -6.411 -4.006 1.00 60.11 C ATOM 654 CG ASN A 43 -11.753 -5.128 -4.739 1.00 21.13 C ATOM 655 OD1 ASN A 43 -10.888 -4.502 -5.354 1.00 53.12 O ATOM 656 ND2 ASN A 43 -13.018 -4.731 -4.676 1.00 34.11 N ATOM 0 H ASN A 43 -10.496 -8.035 -2.283 1.00 1.00 H new ATOM 0 HA ASN A 43 -9.296 -6.419 -4.399 1.00 14.32 H new ATOM 0 HB2 ASN A 43 -11.590 -7.262 -4.663 1.00 60.11 H new ATOM 0 HB3 ASN A 43 -12.071 -6.525 -3.148 1.00 60.11 H new ATOM 0 HD21 ASN A 43 -13.308 -3.875 -5.149 1.00 34.11 H new ATOM 0 HD22 ASN A 43 -13.700 -5.282 -4.155 1.00 34.11 H new ATOM 663 N TYR A 44 -9.986 -5.303 -1.388 1.00 4.51 N ATOM 664 CA TYR A 44 -9.760 -4.199 -0.462 1.00 43.35 C ATOM 665 C TYR A 44 -8.268 -3.952 -0.261 1.00 42.53 C ATOM 666 O TYR A 44 -7.810 -2.810 -0.268 1.00 21.14 O ATOM 667 CB TYR A 44 -10.426 -4.490 0.883 1.00 13.53 C ATOM 668 CG TYR A 44 -11.904 -4.169 0.909 1.00 52.32 C ATOM 669 CD1 TYR A 44 -12.351 -2.883 1.186 1.00 73.24 C ATOM 670 CD2 TYR A 44 -12.852 -5.153 0.657 1.00 13.12 C ATOM 671 CE1 TYR A 44 -13.700 -2.586 1.211 1.00 50.44 C ATOM 672 CE2 TYR A 44 -14.204 -4.864 0.679 1.00 41.24 C ATOM 673 CZ TYR A 44 -14.623 -3.580 0.957 1.00 24.43 C ATOM 674 OH TYR A 44 -15.968 -3.289 0.981 1.00 11.01 O ATOM 0 H TYR A 44 -10.405 -6.130 -0.963 1.00 4.51 H new ATOM 0 HA TYR A 44 -10.203 -3.301 -0.893 1.00 43.35 H new ATOM 0 HB2 TYR A 44 -10.287 -5.543 1.127 1.00 13.53 H new ATOM 0 HB3 TYR A 44 -9.924 -3.914 1.660 1.00 13.53 H new ATOM 0 HD1 TYR A 44 -11.632 -2.102 1.385 1.00 73.24 H new ATOM 0 HD2 TYR A 44 -12.528 -6.160 0.440 1.00 13.12 H new ATOM 0 HE1 TYR A 44 -14.031 -1.581 1.428 1.00 50.44 H new ATOM 0 HE2 TYR A 44 -14.928 -5.640 0.479 1.00 41.24 H new ATOM 0 HH TYR A 44 -16.482 -4.099 0.780 1.00 11.01 H new ATOM 684 N TYR A 45 -7.516 -5.032 -0.085 1.00 51.33 N ATOM 685 CA TYR A 45 -6.076 -4.936 0.120 1.00 13.30 C ATOM 686 C TYR A 45 -5.381 -4.407 -1.131 1.00 50.03 C ATOM 687 O TYR A 45 -4.422 -3.640 -1.047 1.00 12.32 O ATOM 688 CB TYR A 45 -5.501 -6.301 0.498 1.00 31.34 C ATOM 689 CG TYR A 45 -5.739 -6.681 1.941 1.00 33.43 C ATOM 690 CD1 TYR A 45 -5.354 -5.838 2.976 1.00 13.25 C ATOM 691 CD2 TYR A 45 -6.351 -7.884 2.272 1.00 30.52 C ATOM 692 CE1 TYR A 45 -5.571 -6.180 4.297 1.00 33.43 C ATOM 693 CE2 TYR A 45 -6.573 -8.235 3.590 1.00 63.34 C ATOM 694 CZ TYR A 45 -6.179 -7.380 4.598 1.00 54.33 C ATOM 695 OH TYR A 45 -6.399 -7.726 5.913 1.00 32.13 O ATOM 0 H TYR A 45 -7.880 -5.985 -0.080 1.00 51.33 H new ATOM 0 HA TYR A 45 -5.897 -4.236 0.936 1.00 13.30 H new ATOM 0 HB2 TYR A 45 -5.941 -7.062 -0.146 1.00 31.34 H new ATOM 0 HB3 TYR A 45 -4.428 -6.300 0.304 1.00 31.34 H new ATOM 0 HD1 TYR A 45 -4.876 -4.898 2.744 1.00 13.25 H new ATOM 0 HD2 TYR A 45 -6.659 -8.557 1.485 1.00 30.52 H new ATOM 0 HE1 TYR A 45 -5.266 -5.512 5.089 1.00 33.43 H new ATOM 0 HE2 TYR A 45 -7.052 -9.173 3.829 1.00 63.34 H new ATOM 0 HH TYR A 45 -6.837 -8.602 5.952 1.00 32.13 H new ATOM 705 N LYS A 46 -5.874 -4.823 -2.293 1.00 22.02 N ATOM 706 CA LYS A 46 -5.305 -4.392 -3.564 1.00 72.14 C ATOM 707 C LYS A 46 -5.701 -2.954 -3.878 1.00 33.13 C ATOM 708 O LYS A 46 -5.198 -2.354 -4.828 1.00 62.33 O ATOM 709 CB LYS A 46 -5.767 -5.317 -4.692 1.00 30.32 C ATOM 710 CG LYS A 46 -4.777 -6.423 -5.016 1.00 1.33 C ATOM 711 CD LYS A 46 -5.252 -7.273 -6.182 1.00 44.52 C ATOM 712 CE LYS A 46 -4.278 -8.402 -6.484 1.00 14.14 C ATOM 713 NZ LYS A 46 -3.351 -8.053 -7.595 1.00 51.25 N ATOM 0 H LYS A 46 -6.667 -5.459 -2.380 1.00 22.02 H new ATOM 0 HA LYS A 46 -4.219 -4.441 -3.483 1.00 72.14 H new ATOM 0 HB2 LYS A 46 -6.721 -5.765 -4.415 1.00 30.32 H new ATOM 0 HB3 LYS A 46 -5.942 -4.723 -5.589 1.00 30.32 H new ATOM 0 HG2 LYS A 46 -3.807 -5.986 -5.254 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -4.635 -7.054 -4.139 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -6.233 -7.689 -5.954 1.00 44.52 H new ATOM 0 HD3 LYS A 46 -5.369 -6.646 -7.066 1.00 44.52 H new ATOM 0 HE2 LYS A 46 -3.701 -8.633 -5.589 1.00 14.14 H new ATOM 0 HE3 LYS A 46 -4.835 -9.302 -6.745 1.00 14.14 H new ATOM 0 HZ1 LYS A 46 -2.704 -8.848 -7.770 1.00 51.25 H new ATOM 0 HZ2 LYS A 46 -3.900 -7.857 -8.457 1.00 51.25 H new ATOM 0 HZ3 LYS A 46 -2.801 -7.209 -7.336 1.00 51.25 H new ATOM 727 N GLN A 47 -6.603 -2.403 -3.071 1.00 70.43 N ATOM 728 CA GLN A 47 -7.066 -1.034 -3.263 1.00 20.42 C ATOM 729 C GLN A 47 -6.214 -0.055 -2.461 1.00 53.21 C ATOM 730 O GLN A 47 -6.062 1.106 -2.840 1.00 31.41 O ATOM 731 CB GLN A 47 -8.533 -0.905 -2.853 1.00 72.24 C ATOM 732 CG GLN A 47 -9.503 -1.026 -4.017 1.00 64.13 C ATOM 733 CD GLN A 47 -10.676 -0.073 -3.901 1.00 42.51 C ATOM 734 OE1 GLN A 47 -10.658 1.023 -4.464 1.00 54.43 O ATOM 735 NE2 GLN A 47 -11.703 -0.485 -3.169 1.00 35.12 N ATOM 0 H GLN A 47 -7.027 -2.884 -2.278 1.00 70.43 H new ATOM 0 HA GLN A 47 -6.970 -0.791 -4.321 1.00 20.42 H new ATOM 0 HB2 GLN A 47 -8.765 -1.674 -2.116 1.00 72.24 H new ATOM 0 HB3 GLN A 47 -8.682 0.058 -2.365 1.00 72.24 H new ATOM 0 HG2 GLN A 47 -8.972 -0.831 -4.949 1.00 64.13 H new ATOM 0 HG3 GLN A 47 -9.875 -2.049 -4.070 1.00 64.13 H new ATOM 0 HE21 GLN A 47 -11.675 -1.401 -2.721 1.00 35.12 H new ATOM 0 HE22 GLN A 47 -12.521 0.114 -3.055 1.00 35.12 H new ATOM 744 N GLY A 48 -5.662 -0.531 -1.349 1.00 44.11 N ATOM 745 CA GLY A 48 -4.834 0.315 -0.511 1.00 4.13 C ATOM 746 C GLY A 48 -3.364 0.226 -0.870 1.00 44.10 C ATOM 747 O GLY A 48 -2.617 1.190 -0.698 1.00 23.52 O ATOM 0 H GLY A 48 -5.774 -1.488 -1.014 1.00 44.11 H new ATOM 0 HA2 GLY A 48 -5.166 1.349 -0.604 1.00 4.13 H new ATOM 0 HA3 GLY A 48 -4.968 0.030 0.533 1.00 4.13 H new ATOM 751 N ILE A 49 -2.948 -0.932 -1.370 1.00 30.50 N ATOM 752 CA ILE A 49 -1.556 -1.143 -1.754 1.00 54.40 C ATOM 753 C ILE A 49 -1.134 -0.166 -2.844 1.00 45.12 C ATOM 754 O ILE A 49 -0.006 0.326 -2.850 1.00 50.21 O ATOM 755 CB ILE A 49 -1.322 -2.581 -2.248 1.00 32.34 C ATOM 756 CG1 ILE A 49 -1.468 -3.573 -1.092 1.00 40.44 C ATOM 757 CG2 ILE A 49 0.055 -2.704 -2.885 1.00 45.24 C ATOM 758 CD1 ILE A 49 -1.732 -4.993 -1.543 1.00 22.42 C ATOM 0 H ILE A 49 -3.554 -1.739 -1.519 1.00 30.50 H new ATOM 0 HA ILE A 49 -0.952 -0.972 -0.863 1.00 54.40 H new ATOM 0 HB ILE A 49 -2.074 -2.816 -3.001 1.00 32.34 H new ATOM 0 HG12 ILE A 49 -0.559 -3.554 -0.491 1.00 40.44 H new ATOM 0 HG13 ILE A 49 -2.284 -3.248 -0.446 1.00 40.44 H new ATOM 0 HG21 ILE A 49 0.206 -3.727 -3.230 1.00 45.24 H new ATOM 0 HG22 ILE A 49 0.126 -2.021 -3.732 1.00 45.24 H new ATOM 0 HG23 ILE A 49 0.820 -2.452 -2.150 1.00 45.24 H new ATOM 0 HD11 ILE A 49 -1.824 -5.641 -0.671 1.00 22.42 H new ATOM 0 HD12 ILE A 49 -2.657 -5.026 -2.119 1.00 22.42 H new ATOM 0 HD13 ILE A 49 -0.905 -5.337 -2.165 1.00 22.42 H new ATOM 770 N GLY A 50 -2.048 0.113 -3.768 1.00 41.33 N ATOM 771 CA GLY A 50 -1.752 1.033 -4.852 1.00 22.20 C ATOM 772 C GLY A 50 -1.711 2.476 -4.394 1.00 73.30 C ATOM 773 O GLY A 50 -0.862 3.252 -4.834 1.00 52.43 O ATOM 0 H GLY A 50 -2.988 -0.281 -3.786 1.00 41.33 H new ATOM 0 HA2 GLY A 50 -0.792 0.769 -5.296 1.00 22.20 H new ATOM 0 HA3 GLY A 50 -2.505 0.924 -5.632 1.00 22.20 H new ATOM 777 N HIS A 51 -2.633 2.841 -3.507 1.00 75.33 N ATOM 778 CA HIS A 51 -2.700 4.201 -2.990 1.00 11.01 C ATOM 779 C HIS A 51 -1.502 4.502 -2.095 1.00 34.45 C ATOM 780 O HIS A 51 -1.066 5.649 -1.987 1.00 45.11 O ATOM 781 CB HIS A 51 -3.998 4.409 -2.209 1.00 34.13 C ATOM 782 CG HIS A 51 -5.116 4.957 -3.042 1.00 43.43 C ATOM 783 ND1 HIS A 51 -5.035 6.157 -3.716 1.00 20.32 N ATOM 784 CD2 HIS A 51 -6.346 4.461 -3.307 1.00 42.44 C ATOM 785 CE1 HIS A 51 -6.166 6.376 -4.359 1.00 64.04 C ATOM 786 NE2 HIS A 51 -6.980 5.361 -4.130 1.00 61.10 N ATOM 0 H HIS A 51 -3.343 2.212 -3.132 1.00 75.33 H new ATOM 0 HA HIS A 51 -2.680 4.886 -3.837 1.00 11.01 H new ATOM 0 HB2 HIS A 51 -4.310 3.458 -1.778 1.00 34.13 H new ATOM 0 HB3 HIS A 51 -3.808 5.089 -1.378 1.00 34.13 H new ATOM 0 HD2 HIS A 51 -6.754 3.531 -2.940 1.00 42.44 H new ATOM 0 HE1 HIS A 51 -6.389 7.239 -4.969 1.00 64.04 H new ATOM 0 HE2 HIS A 51 -7.924 5.262 -4.503 1.00 61.10 H new ATOM 795 N LEU A 52 -0.973 3.465 -1.454 1.00 11.34 N ATOM 796 CA LEU A 52 0.175 3.618 -0.567 1.00 0.14 C ATOM 797 C LEU A 52 1.365 4.213 -1.314 1.00 13.50 C ATOM 798 O LEU A 52 1.839 5.300 -0.981 1.00 25.44 O ATOM 799 CB LEU A 52 0.562 2.266 0.036 1.00 73.20 C ATOM 800 CG LEU A 52 -0.319 1.765 1.180 1.00 50.33 C ATOM 801 CD1 LEU A 52 -0.159 0.262 1.357 1.00 14.23 C ATOM 802 CD2 LEU A 52 0.014 2.496 2.472 1.00 74.34 C ATOM 0 H LEU A 52 -1.321 2.509 -1.532 1.00 11.34 H new ATOM 0 HA LEU A 52 -0.105 4.301 0.235 1.00 0.14 H new ATOM 0 HB2 LEU A 52 0.551 1.520 -0.758 1.00 73.20 H new ATOM 0 HB3 LEU A 52 1.589 2.332 0.397 1.00 73.20 H new ATOM 0 HG LEU A 52 -1.359 1.972 0.929 1.00 50.33 H new ATOM 0 HD11 LEU A 52 -0.793 -0.078 2.176 1.00 14.23 H new ATOM 0 HD12 LEU A 52 -0.450 -0.246 0.438 1.00 14.23 H new ATOM 0 HD13 LEU A 52 0.882 0.031 1.585 1.00 14.23 H new ATOM 0 HD21 LEU A 52 -0.624 2.125 3.275 1.00 74.34 H new ATOM 0 HD22 LEU A 52 1.059 2.322 2.729 1.00 74.34 H new ATOM 0 HD23 LEU A 52 -0.154 3.565 2.339 1.00 74.34 H new ATOM 814 N LEU A 53 1.840 3.496 -2.326 1.00 51.33 N ATOM 815 CA LEU A 53 2.973 3.954 -3.123 1.00 10.41 C ATOM 816 C LEU A 53 2.751 5.381 -3.617 1.00 14.51 C ATOM 817 O LEU A 53 3.598 6.253 -3.428 1.00 54.22 O ATOM 818 CB LEU A 53 3.196 3.020 -4.313 1.00 41.13 C ATOM 819 CG LEU A 53 3.459 1.553 -3.975 1.00 34.34 C ATOM 820 CD1 LEU A 53 3.395 0.695 -5.228 1.00 42.14 C ATOM 821 CD2 LEU A 53 4.807 1.396 -3.287 1.00 5.33 C ATOM 0 H LEU A 53 1.458 2.595 -2.614 1.00 51.33 H new ATOM 0 HA LEU A 53 3.859 3.942 -2.489 1.00 10.41 H new ATOM 0 HB2 LEU A 53 2.319 3.072 -4.959 1.00 41.13 H new ATOM 0 HB3 LEU A 53 4.040 3.396 -4.891 1.00 41.13 H new ATOM 0 HG LEU A 53 2.682 1.215 -3.289 1.00 34.34 H new ATOM 0 HD11 LEU A 53 3.585 -0.346 -4.966 1.00 42.14 H new ATOM 0 HD12 LEU A 53 2.406 0.781 -5.678 1.00 42.14 H new ATOM 0 HD13 LEU A 53 4.148 1.033 -5.940 1.00 42.14 H new ATOM 0 HD21 LEU A 53 4.976 0.345 -3.054 1.00 5.33 H new ATOM 0 HD22 LEU A 53 5.597 1.753 -3.948 1.00 5.33 H new ATOM 0 HD23 LEU A 53 4.815 1.978 -2.365 1.00 5.33 H new ATOM 833 N ARG A 54 1.603 5.611 -4.247 1.00 40.34 N ATOM 834 CA ARG A 54 1.268 6.932 -4.767 1.00 73.45 C ATOM 835 C ARG A 54 1.755 8.026 -3.823 1.00 3.34 C ATOM 836 O ARG A 54 2.153 9.106 -4.260 1.00 22.41 O ATOM 837 CB ARG A 54 -0.243 7.054 -4.970 1.00 63.11 C ATOM 838 CG ARG A 54 -0.661 8.339 -5.665 1.00 13.52 C ATOM 839 CD ARG A 54 -2.137 8.320 -6.033 1.00 63.33 C ATOM 840 NE ARG A 54 -2.841 9.500 -5.539 1.00 50.43 N ATOM 841 CZ ARG A 54 -2.720 10.707 -6.078 1.00 5.11 C ATOM 842 NH1 ARG A 54 -1.926 10.893 -7.124 1.00 43.20 N ATOM 843 NH2 ARG A 54 -3.393 11.732 -5.572 1.00 62.23 N ATOM 0 H ARG A 54 0.890 4.900 -4.410 1.00 40.34 H new ATOM 0 HA ARG A 54 1.768 7.056 -5.728 1.00 73.45 H new ATOM 0 HB2 ARG A 54 -0.592 6.204 -5.556 1.00 63.11 H new ATOM 0 HB3 ARG A 54 -0.737 6.998 -4.000 1.00 63.11 H new ATOM 0 HG2 ARG A 54 -0.459 9.189 -5.013 1.00 13.52 H new ATOM 0 HG3 ARG A 54 -0.062 8.478 -6.565 1.00 13.52 H new ATOM 0 HD2 ARG A 54 -2.239 8.264 -7.117 1.00 63.33 H new ATOM 0 HD3 ARG A 54 -2.601 7.423 -5.623 1.00 63.33 H new ATOM 0 HE ARG A 54 -3.460 9.391 -4.736 1.00 50.43 H new ATOM 0 HH11 ARG A 54 -1.407 10.108 -7.516 1.00 43.20 H new ATOM 0 HH12 ARG A 54 -1.835 11.821 -7.536 1.00 43.20 H new ATOM 0 HH21 ARG A 54 -4.005 11.593 -4.768 1.00 62.23 H new ATOM 0 HH22 ARG A 54 -3.299 12.659 -5.987 1.00 62.23 H new ATOM 857 N GLY A 55 1.720 7.741 -2.524 1.00 24.14 N ATOM 858 CA GLY A 55 2.161 8.711 -1.540 1.00 11.24 C ATOM 859 C GLY A 55 3.610 8.516 -1.141 1.00 23.35 C ATOM 860 O GLY A 55 4.345 9.487 -0.951 1.00 75.32 O ATOM 0 H GLY A 55 1.394 6.856 -2.137 1.00 24.14 H new ATOM 0 HA2 GLY A 55 2.030 9.716 -1.941 1.00 11.24 H new ATOM 0 HA3 GLY A 55 1.531 8.637 -0.654 1.00 11.24 H new ATOM 864 N ILE A 56 4.024 7.259 -1.013 1.00 14.43 N ATOM 865 CA ILE A 56 5.394 6.940 -0.633 1.00 2.44 C ATOM 866 C ILE A 56 6.363 7.238 -1.773 1.00 20.02 C ATOM 867 O ILE A 56 7.577 7.109 -1.618 1.00 60.44 O ATOM 868 CB ILE A 56 5.536 5.462 -0.227 1.00 64.20 C ATOM 869 CG1 ILE A 56 4.541 5.117 0.883 1.00 11.34 C ATOM 870 CG2 ILE A 56 6.960 5.171 0.222 1.00 62.21 C ATOM 871 CD1 ILE A 56 3.761 3.849 0.621 1.00 13.30 C ATOM 0 H ILE A 56 3.429 6.445 -1.167 1.00 14.43 H new ATOM 0 HA ILE A 56 5.639 7.568 0.223 1.00 2.44 H new ATOM 0 HB ILE A 56 5.314 4.840 -1.094 1.00 64.20 H new ATOM 0 HG12 ILE A 56 5.080 5.014 1.825 1.00 11.34 H new ATOM 0 HG13 ILE A 56 3.843 5.945 1.004 1.00 11.34 H new ATOM 0 HG21 ILE A 56 7.045 4.122 0.506 1.00 62.21 H new ATOM 0 HG22 ILE A 56 7.650 5.383 -0.595 1.00 62.21 H new ATOM 0 HG23 ILE A 56 7.207 5.800 1.077 1.00 62.21 H new ATOM 0 HD11 ILE A 56 3.075 3.666 1.448 1.00 13.30 H new ATOM 0 HD12 ILE A 56 3.194 3.955 -0.304 1.00 13.30 H new ATOM 0 HD13 ILE A 56 4.451 3.010 0.529 1.00 13.30 H new ATOM 883 N SER A 57 5.817 7.641 -2.916 1.00 62.54 N ATOM 884 CA SER A 57 6.634 7.956 -4.083 1.00 63.43 C ATOM 885 C SER A 57 6.619 9.454 -4.368 1.00 2.43 C ATOM 886 O SER A 57 6.830 9.884 -5.504 1.00 54.23 O ATOM 887 CB SER A 57 6.131 7.187 -5.306 1.00 54.03 C ATOM 888 OG SER A 57 4.908 7.724 -5.779 1.00 0.43 O ATOM 0 H SER A 57 4.814 7.757 -3.059 1.00 62.54 H new ATOM 0 HA SER A 57 7.660 7.655 -3.870 1.00 63.43 H new ATOM 0 HB2 SER A 57 6.879 7.227 -6.097 1.00 54.03 H new ATOM 0 HB3 SER A 57 5.995 6.137 -5.048 1.00 54.03 H new ATOM 0 HG SER A 57 4.179 7.453 -5.182 1.00 0.43 H new ATOM 894 N ILE A 58 6.366 10.245 -3.330 1.00 21.23 N ATOM 895 CA ILE A 58 6.325 11.695 -3.468 1.00 44.20 C ATOM 896 C ILE A 58 7.690 12.314 -3.189 1.00 4.32 C ATOM 897 O ILE A 58 8.414 11.870 -2.299 1.00 12.11 O ATOM 898 CB ILE A 58 5.286 12.321 -2.518 1.00 21.04 C ATOM 899 CG1 ILE A 58 3.893 11.765 -2.812 1.00 74.53 C ATOM 900 CG2 ILE A 58 5.295 13.837 -2.649 1.00 10.05 C ATOM 901 CD1 ILE A 58 3.122 12.570 -3.832 1.00 45.11 C ATOM 0 H ILE A 58 6.187 9.906 -2.385 1.00 21.23 H new ATOM 0 HA ILE A 58 6.038 11.906 -4.498 1.00 44.20 H new ATOM 0 HB ILE A 58 5.551 12.062 -1.493 1.00 21.04 H new ATOM 0 HG12 ILE A 58 3.988 10.739 -3.168 1.00 74.53 H new ATOM 0 HG13 ILE A 58 3.322 11.729 -1.884 1.00 74.53 H new ATOM 0 HG21 ILE A 58 4.556 14.265 -1.972 1.00 10.05 H new ATOM 0 HG22 ILE A 58 6.284 14.218 -2.395 1.00 10.05 H new ATOM 0 HG23 ILE A 58 5.052 14.115 -3.674 1.00 10.05 H new ATOM 0 HD11 ILE A 58 2.144 12.116 -3.990 1.00 45.11 H new ATOM 0 HD12 ILE A 58 2.995 13.590 -3.470 1.00 45.11 H new ATOM 0 HD13 ILE A 58 3.671 12.585 -4.774 1.00 45.11 H new ATOM 913 N SER A 59 8.035 13.343 -3.957 1.00 71.32 N ATOM 914 CA SER A 59 9.315 14.023 -3.795 1.00 1.03 C ATOM 915 C SER A 59 9.287 14.953 -2.587 1.00 32.03 C ATOM 916 O SER A 59 8.832 16.093 -2.678 1.00 10.34 O ATOM 917 CB SER A 59 9.659 14.817 -5.056 1.00 62.43 C ATOM 918 OG SER A 59 10.947 15.400 -4.957 1.00 3.41 O ATOM 0 H SER A 59 7.446 13.724 -4.697 1.00 71.32 H new ATOM 0 HA SER A 59 10.082 13.266 -3.631 1.00 1.03 H new ATOM 0 HB2 SER A 59 9.620 14.160 -5.925 1.00 62.43 H new ATOM 0 HB3 SER A 59 8.914 15.597 -5.212 1.00 62.43 H new ATOM 0 HG SER A 59 11.143 15.901 -5.776 1.00 3.41 H new ATOM 924 N SER A 60 9.777 14.460 -1.455 1.00 74.52 N ATOM 925 CA SER A 60 9.805 15.244 -0.226 1.00 60.15 C ATOM 926 C SER A 60 11.237 15.617 0.148 1.00 41.33 C ATOM 927 O SER A 60 11.896 14.912 0.915 1.00 44.34 O ATOM 928 CB SER A 60 9.155 14.464 0.918 1.00 61.34 C ATOM 929 OG SER A 60 8.952 13.108 0.559 1.00 33.52 O ATOM 0 H SER A 60 10.161 13.519 -1.363 1.00 74.52 H new ATOM 0 HA SER A 60 9.241 16.161 -0.397 1.00 60.15 H new ATOM 0 HB2 SER A 60 9.787 14.518 1.805 1.00 61.34 H new ATOM 0 HB3 SER A 60 8.201 14.922 1.178 1.00 61.34 H new ATOM 0 HG SER A 60 8.390 12.672 1.233 1.00 33.52 H new ATOM 935 N LYS A 61 11.713 16.731 -0.399 1.00 40.14 N ATOM 936 CA LYS A 61 13.064 17.201 -0.123 1.00 31.51 C ATOM 937 C LYS A 61 13.110 18.725 -0.067 1.00 25.21 C ATOM 938 O LYS A 61 13.371 19.308 0.984 1.00 5.44 O ATOM 939 CB LYS A 61 14.033 16.690 -1.194 1.00 11.31 C ATOM 940 CG LYS A 61 15.483 17.054 -0.926 1.00 13.01 C ATOM 941 CD LYS A 61 16.419 16.366 -1.905 1.00 2.11 C ATOM 942 CE LYS A 61 16.575 17.171 -3.187 1.00 53.34 C ATOM 943 NZ LYS A 61 15.467 16.903 -4.147 1.00 34.51 N ATOM 0 H LYS A 61 11.182 17.325 -1.036 1.00 40.14 H new ATOM 0 HA LYS A 61 13.366 16.810 0.849 1.00 31.51 H new ATOM 0 HB2 LYS A 61 13.946 15.606 -1.263 1.00 11.31 H new ATOM 0 HB3 LYS A 61 13.738 17.096 -2.162 1.00 11.31 H new ATOM 0 HG2 LYS A 61 15.608 18.134 -1.000 1.00 13.01 H new ATOM 0 HG3 LYS A 61 15.748 16.771 0.093 1.00 13.01 H new ATOM 0 HD2 LYS A 61 17.395 16.227 -1.440 1.00 2.11 H new ATOM 0 HD3 LYS A 61 16.035 15.374 -2.142 1.00 2.11 H new ATOM 0 HE2 LYS A 61 16.600 18.234 -2.948 1.00 53.34 H new ATOM 0 HE3 LYS A 61 17.529 16.927 -3.655 1.00 53.34 H new ATOM 0 HZ1 LYS A 61 15.834 16.936 -5.119 1.00 34.51 H new ATOM 0 HZ2 LYS A 61 15.066 15.962 -3.961 1.00 34.51 H new ATOM 0 HZ3 LYS A 61 14.726 17.624 -4.032 1.00 34.51 H new ATOM 957 N GLU A 62 12.853 19.363 -1.206 1.00 74.12 N ATOM 958 CA GLU A 62 12.863 20.818 -1.284 1.00 45.11 C ATOM 959 C GLU A 62 14.148 21.386 -0.687 1.00 60.31 C ATOM 960 O GLU A 62 15.139 20.672 -0.527 1.00 72.01 O ATOM 961 CB GLU A 62 11.650 21.400 -0.556 1.00 12.40 C ATOM 962 CG GLU A 62 10.950 22.505 -1.327 1.00 40.13 C ATOM 963 CD GLU A 62 9.471 22.233 -1.524 1.00 24.21 C ATOM 964 OE1 GLU A 62 9.101 21.050 -1.671 1.00 52.20 O ATOM 965 OE2 GLU A 62 8.684 23.204 -1.533 1.00 71.53 O ATOM 0 H GLU A 62 12.636 18.895 -2.086 1.00 74.12 H new ATOM 0 HA GLU A 62 12.815 21.099 -2.336 1.00 45.11 H new ATOM 0 HB2 GLU A 62 10.937 20.599 -0.358 1.00 12.40 H new ATOM 0 HB3 GLU A 62 11.969 21.789 0.411 1.00 12.40 H new ATOM 0 HG2 GLU A 62 11.074 23.449 -0.796 1.00 40.13 H new ATOM 0 HG3 GLU A 62 11.427 22.622 -2.300 1.00 40.13 H new ATOM 973 N SER A 63 14.124 22.674 -0.362 1.00 32.21 N ATOM 974 CA SER A 63 15.287 23.340 0.212 1.00 31.03 C ATOM 975 C SER A 63 15.062 23.649 1.689 1.00 53.41 C ATOM 976 O SER A 63 15.662 23.025 2.563 1.00 11.45 O ATOM 977 CB SER A 63 15.593 24.630 -0.551 1.00 51.25 C ATOM 978 OG SER A 63 16.038 24.351 -1.867 1.00 71.40 O ATOM 0 H SER A 63 13.311 23.278 -0.486 1.00 32.21 H new ATOM 0 HA SER A 63 16.139 22.666 0.126 1.00 31.03 H new ATOM 0 HB2 SER A 63 14.700 25.253 -0.590 1.00 51.25 H new ATOM 0 HB3 SER A 63 16.356 25.199 -0.019 1.00 51.25 H new ATOM 0 HG SER A 63 16.225 25.192 -2.334 1.00 71.40 H new ATOM 984 N GLU A 64 14.192 24.618 1.958 1.00 23.24 N ATOM 985 CA GLU A 64 13.887 25.013 3.328 1.00 23.22 C ATOM 986 C GLU A 64 12.688 24.238 3.863 1.00 34.51 C ATOM 987 O GLU A 64 11.599 24.788 4.018 1.00 54.35 O ATOM 988 CB GLU A 64 13.610 26.516 3.399 1.00 72.41 C ATOM 989 CG GLU A 64 13.801 27.104 4.787 1.00 11.22 C ATOM 990 CD GLU A 64 12.605 27.915 5.246 1.00 1.41 C ATOM 991 OE1 GLU A 64 11.463 27.518 4.932 1.00 2.44 O ATOM 992 OE2 GLU A 64 12.810 28.947 5.919 1.00 34.22 O ATOM 0 H GLU A 64 13.686 25.144 1.245 1.00 23.24 H new ATOM 0 HA GLU A 64 14.753 24.781 3.948 1.00 23.22 H new ATOM 0 HB2 GLU A 64 14.269 27.032 2.701 1.00 72.41 H new ATOM 0 HB3 GLU A 64 12.588 26.705 3.071 1.00 72.41 H new ATOM 0 HG2 GLU A 64 13.983 26.298 5.497 1.00 11.22 H new ATOM 0 HG3 GLU A 64 14.688 27.738 4.790 1.00 11.22 H new ATOM 1000 N HIS A 65 12.897 22.954 4.143 1.00 70.23 N ATOM 1001 CA HIS A 65 11.833 22.102 4.660 1.00 15.10 C ATOM 1002 C HIS A 65 11.470 22.494 6.090 1.00 50.12 C ATOM 1003 O HIS A 65 11.960 21.902 7.052 1.00 42.01 O ATOM 1004 CB HIS A 65 12.259 20.634 4.616 1.00 64.22 C ATOM 1005 CG HIS A 65 11.297 19.753 3.879 1.00 11.02 C ATOM 1006 ND1 HIS A 65 10.789 18.585 4.409 1.00 4.41 N ATOM 1007 CD2 HIS A 65 10.748 19.876 2.649 1.00 41.51 C ATOM 1008 CE1 HIS A 65 9.971 18.028 3.535 1.00 75.43 C ATOM 1009 NE2 HIS A 65 9.928 18.791 2.459 1.00 51.51 N ATOM 0 H HIS A 65 13.793 22.482 4.020 1.00 70.23 H new ATOM 0 HA HIS A 65 10.954 22.237 4.029 1.00 15.10 H new ATOM 0 HB2 HIS A 65 13.239 20.563 4.144 1.00 64.22 H new ATOM 0 HB3 HIS A 65 12.369 20.265 5.636 1.00 64.22 H new ATOM 0 HD2 HIS A 65 10.922 20.678 1.947 1.00 41.51 H new ATOM 0 HE1 HIS A 65 9.429 17.105 3.677 1.00 75.43 H new ATOM 0 HE2 HIS A 65 9.375 18.605 1.622 1.00 51.51 H new ATOM 1018 N THR A 66 10.608 23.497 6.223 1.00 50.24 N ATOM 1019 CA THR A 66 10.180 23.969 7.533 1.00 3.55 C ATOM 1020 C THR A 66 8.687 24.277 7.547 1.00 45.34 C ATOM 1021 O THR A 66 8.134 24.760 6.560 1.00 32.40 O ATOM 1022 CB THR A 66 10.956 25.232 7.956 1.00 64.23 C ATOM 1023 OG1 THR A 66 10.783 26.263 6.977 1.00 44.01 O ATOM 1024 CG2 THR A 66 12.437 24.926 8.122 1.00 11.53 C ATOM 0 H THR A 66 10.192 23.998 5.438 1.00 50.24 H new ATOM 0 HA THR A 66 10.389 23.167 8.241 1.00 3.55 H new ATOM 0 HB THR A 66 10.562 25.571 8.914 1.00 64.23 H new ATOM 0 HG1 THR A 66 11.284 26.032 6.167 1.00 44.01 H new ATOM 0 HG21 THR A 66 12.964 25.832 8.421 1.00 11.53 H new ATOM 0 HG22 THR A 66 12.567 24.161 8.888 1.00 11.53 H new ATOM 0 HG23 THR A 66 12.842 24.565 7.177 1.00 11.53 H new ATOM 1032 N GLY A 67 8.039 23.994 8.673 1.00 14.24 N ATOM 1033 CA GLY A 67 6.616 24.247 8.793 1.00 14.31 C ATOM 1034 C GLY A 67 5.866 23.071 9.389 1.00 51.23 C ATOM 1035 O GLY A 67 6.263 21.915 9.239 1.00 73.40 O ATOM 0 H GLY A 67 8.475 23.594 9.504 1.00 14.24 H new ATOM 0 HA2 GLY A 67 6.458 25.128 9.415 1.00 14.31 H new ATOM 0 HA3 GLY A 67 6.206 24.474 7.809 1.00 14.31 H new ATOM 1039 N PRO A 68 4.756 23.362 10.080 1.00 53.41 N ATOM 1040 CA PRO A 68 3.925 22.333 10.715 1.00 45.01 C ATOM 1041 C PRO A 68 3.183 21.477 9.694 1.00 22.13 C ATOM 1042 O PRO A 68 2.457 20.552 10.056 1.00 23.22 O ATOM 1043 CB PRO A 68 2.935 23.144 11.553 1.00 55.43 C ATOM 1044 CG PRO A 68 2.857 24.467 10.875 1.00 54.53 C ATOM 1045 CD PRO A 68 4.223 24.717 10.298 1.00 51.51 C ATOM 0 HA PRO A 68 4.520 21.630 11.297 1.00 45.01 H new ATOM 0 HB2 PRO A 68 1.959 22.660 11.590 1.00 55.43 H new ATOM 0 HB3 PRO A 68 3.279 23.247 12.582 1.00 55.43 H new ATOM 0 HG2 PRO A 68 2.098 24.461 10.093 1.00 54.53 H new ATOM 0 HG3 PRO A 68 2.581 25.251 11.580 1.00 54.53 H new ATOM 0 HD2 PRO A 68 4.169 25.282 9.367 1.00 51.51 H new ATOM 0 HD3 PRO A 68 4.849 25.290 10.982 1.00 51.51 H new ATOM 1053 N GLY A 69 3.371 21.791 8.416 1.00 4.01 N ATOM 1054 CA GLY A 69 2.712 21.040 7.363 1.00 42.32 C ATOM 1055 C GLY A 69 3.555 19.885 6.860 1.00 31.25 C ATOM 1056 O GLY A 69 3.047 18.785 6.645 1.00 12.20 O ATOM 0 H GLY A 69 3.968 22.552 8.091 1.00 4.01 H new ATOM 0 HA2 GLY A 69 1.761 20.657 7.734 1.00 42.32 H new ATOM 0 HA3 GLY A 69 2.484 21.708 6.532 1.00 42.32 H new ATOM 1060 N TRP A 70 4.846 20.136 6.670 1.00 22.22 N ATOM 1061 CA TRP A 70 5.760 19.108 6.188 1.00 64.23 C ATOM 1062 C TRP A 70 6.064 18.092 7.283 1.00 20.53 C ATOM 1063 O TRP A 70 6.596 17.016 7.013 1.00 22.12 O ATOM 1064 CB TRP A 70 7.059 19.745 5.690 1.00 61.41 C ATOM 1065 CG TRP A 70 7.070 19.995 4.212 1.00 55.45 C ATOM 1066 CD1 TRP A 70 7.275 21.190 3.584 1.00 11.33 C ATOM 1067 CD2 TRP A 70 6.865 19.026 3.177 1.00 34.12 C ATOM 1068 NE1 TRP A 70 7.210 21.022 2.223 1.00 43.32 N ATOM 1069 CE2 TRP A 70 6.961 19.705 1.947 1.00 64.34 C ATOM 1070 CE3 TRP A 70 6.613 17.652 3.171 1.00 72.12 C ATOM 1071 CZ2 TRP A 70 6.811 19.053 0.725 1.00 3.43 C ATOM 1072 CZ3 TRP A 70 6.465 17.007 1.958 1.00 4.32 C ATOM 1073 CH2 TRP A 70 6.565 17.708 0.748 1.00 31.10 C ATOM 0 H TRP A 70 5.282 21.042 6.842 1.00 22.22 H new ATOM 0 HA TRP A 70 5.278 18.587 5.360 1.00 64.23 H new ATOM 0 HB2 TRP A 70 7.216 20.689 6.212 1.00 61.41 H new ATOM 0 HB3 TRP A 70 7.896 19.096 5.948 1.00 61.41 H new ATOM 0 HD1 TRP A 70 7.461 22.129 4.084 1.00 11.33 H new ATOM 0 HE1 TRP A 70 7.328 21.760 1.529 1.00 43.32 H new ATOM 0 HE3 TRP A 70 6.535 17.104 4.098 1.00 72.12 H new ATOM 0 HZ2 TRP A 70 6.886 19.591 -0.208 1.00 3.43 H new ATOM 0 HZ3 TRP A 70 6.269 15.945 1.942 1.00 4.32 H new ATOM 0 HH2 TRP A 70 6.445 17.176 -0.184 1.00 31.10 H new ATOM 1084 N GLU A 71 5.725 18.442 8.520 1.00 23.22 N ATOM 1085 CA GLU A 71 5.963 17.560 9.656 1.00 71.54 C ATOM 1086 C GLU A 71 4.983 16.390 9.652 1.00 51.33 C ATOM 1087 O GLU A 71 5.387 15.227 9.677 1.00 44.31 O ATOM 1088 CB GLU A 71 5.843 18.336 10.968 1.00 52.32 C ATOM 1089 CG GLU A 71 7.176 18.804 11.523 1.00 11.14 C ATOM 1090 CD GLU A 71 7.081 19.256 12.969 1.00 42.44 C ATOM 1091 OE1 GLU A 71 7.727 18.625 13.830 1.00 30.01 O ATOM 1092 OE2 GLU A 71 6.359 20.240 13.237 1.00 22.34 O ATOM 0 H GLU A 71 5.285 19.330 8.761 1.00 23.22 H new ATOM 0 HA GLU A 71 6.975 17.164 9.569 1.00 71.54 H new ATOM 0 HB2 GLU A 71 5.201 19.202 10.810 1.00 52.32 H new ATOM 0 HB3 GLU A 71 5.352 17.706 11.709 1.00 52.32 H new ATOM 0 HG2 GLU A 71 7.902 17.994 11.446 1.00 11.14 H new ATOM 0 HG3 GLU A 71 7.551 19.626 10.913 1.00 11.14 H new ATOM 1100 N SER A 72 3.692 16.708 9.622 1.00 22.21 N ATOM 1101 CA SER A 72 2.654 15.684 9.618 1.00 13.43 C ATOM 1102 C SER A 72 2.808 14.758 8.417 1.00 50.04 C ATOM 1103 O SER A 72 2.737 13.536 8.550 1.00 40.22 O ATOM 1104 CB SER A 72 1.269 16.335 9.601 1.00 12.44 C ATOM 1105 OG SER A 72 1.308 17.635 10.162 1.00 22.42 O ATOM 0 H SER A 72 3.341 17.665 9.600 1.00 22.21 H new ATOM 0 HA SER A 72 2.759 15.091 10.526 1.00 13.43 H new ATOM 0 HB2 SER A 72 0.902 16.389 8.576 1.00 12.44 H new ATOM 0 HB3 SER A 72 0.566 15.716 10.159 1.00 12.44 H new ATOM 0 HG SER A 72 0.411 18.029 10.137 1.00 22.42 H new ATOM 1111 N ALA A 73 3.018 15.348 7.245 1.00 31.05 N ATOM 1112 CA ALA A 73 3.184 14.575 6.020 1.00 4.42 C ATOM 1113 C ALA A 73 4.309 13.556 6.161 1.00 33.10 C ATOM 1114 O ALA A 73 4.211 12.436 5.660 1.00 43.25 O ATOM 1115 CB ALA A 73 3.454 15.503 4.844 1.00 22.04 C ATOM 0 H ALA A 73 3.077 16.358 7.118 1.00 31.05 H new ATOM 0 HA ALA A 73 2.258 14.030 5.835 1.00 4.42 H new ATOM 0 HB1 ALA A 73 3.576 14.913 3.936 1.00 22.04 H new ATOM 0 HB2 ALA A 73 2.616 16.189 4.722 1.00 22.04 H new ATOM 0 HB3 ALA A 73 4.364 16.073 5.032 1.00 22.04 H new ATOM 1121 N ARG A 74 5.377 13.951 6.847 1.00 41.52 N ATOM 1122 CA ARG A 74 6.521 13.073 7.052 1.00 74.44 C ATOM 1123 C ARG A 74 6.169 11.935 8.006 1.00 52.44 C ATOM 1124 O ARG A 74 6.732 10.844 7.920 1.00 31.31 O ATOM 1125 CB ARG A 74 7.707 13.865 7.604 1.00 1.14 C ATOM 1126 CG ARG A 74 8.702 14.295 6.537 1.00 14.23 C ATOM 1127 CD ARG A 74 10.117 13.866 6.890 1.00 22.24 C ATOM 1128 NE ARG A 74 11.117 14.789 6.359 1.00 32.11 N ATOM 1129 CZ ARG A 74 12.402 14.755 6.699 1.00 54.53 C ATOM 1130 NH1 ARG A 74 12.839 13.850 7.563 1.00 4.32 N ATOM 1131 NH2 ARG A 74 13.251 15.629 6.173 1.00 41.01 N ATOM 0 H ARG A 74 5.473 14.874 7.270 1.00 41.52 H new ATOM 0 HA ARG A 74 6.795 12.645 6.088 1.00 74.44 H new ATOM 0 HB2 ARG A 74 7.334 14.750 8.119 1.00 1.14 H new ATOM 0 HB3 ARG A 74 8.224 13.258 8.347 1.00 1.14 H new ATOM 0 HG2 ARG A 74 8.418 13.862 5.578 1.00 14.23 H new ATOM 0 HG3 ARG A 74 8.667 15.378 6.421 1.00 14.23 H new ATOM 0 HD2 ARG A 74 10.218 13.806 7.974 1.00 22.24 H new ATOM 0 HD3 ARG A 74 10.301 12.866 6.497 1.00 22.24 H new ATOM 0 HE ARG A 74 10.813 15.498 5.691 1.00 32.11 H new ATOM 0 HH11 ARG A 74 12.189 13.177 7.969 1.00 4.32 H new ATOM 0 HH12 ARG A 74 13.825 13.826 7.822 1.00 4.32 H new ATOM 0 HH21 ARG A 74 12.918 16.327 5.508 1.00 41.01 H new ATOM 0 HH22 ARG A 74 14.237 15.603 6.434 1.00 41.01 H new ATOM 1145 N GLN A 75 5.233 12.198 8.913 1.00 24.33 N ATOM 1146 CA GLN A 75 4.807 11.196 9.883 1.00 62.13 C ATOM 1147 C GLN A 75 3.878 10.174 9.236 1.00 73.10 C ATOM 1148 O GLN A 75 3.927 8.986 9.556 1.00 21.23 O ATOM 1149 CB GLN A 75 4.103 11.866 11.064 1.00 33.42 C ATOM 1150 CG GLN A 75 4.931 11.876 12.339 1.00 52.41 C ATOM 1151 CD GLN A 75 4.155 11.375 13.542 1.00 22.51 C ATOM 1152 OE1 GLN A 75 3.881 12.127 14.475 1.00 34.25 O ATOM 1153 NE2 GLN A 75 3.797 10.096 13.525 1.00 63.32 N ATOM 0 H GLN A 75 4.756 13.096 8.996 1.00 24.33 H new ATOM 0 HA GLN A 75 5.694 10.677 10.245 1.00 62.13 H new ATOM 0 HB2 GLN A 75 3.855 12.892 10.794 1.00 33.42 H new ATOM 0 HB3 GLN A 75 3.162 11.350 11.256 1.00 33.42 H new ATOM 0 HG2 GLN A 75 5.816 11.256 12.198 1.00 52.41 H new ATOM 0 HG3 GLN A 75 5.280 12.890 12.533 1.00 52.41 H new ATOM 0 HE21 GLN A 75 4.045 9.507 12.730 1.00 63.32 H new ATOM 0 HE22 GLN A 75 3.274 9.702 14.307 1.00 63.32 H new ATOM 1162 N MET A 76 3.033 10.641 8.325 1.00 1.44 N ATOM 1163 CA MET A 76 2.094 9.767 7.632 1.00 0.33 C ATOM 1164 C MET A 76 2.821 8.859 6.646 1.00 23.25 C ATOM 1165 O MET A 76 2.583 7.653 6.607 1.00 14.45 O ATOM 1166 CB MET A 76 1.037 10.596 6.897 1.00 22.52 C ATOM 1167 CG MET A 76 -0.035 11.163 7.813 1.00 4.33 C ATOM 1168 SD MET A 76 -0.130 12.962 7.741 1.00 15.22 S ATOM 1169 CE MET A 76 -0.666 13.206 6.050 1.00 33.45 C ATOM 0 H MET A 76 2.979 11.621 8.049 1.00 1.44 H new ATOM 0 HA MET A 76 1.601 9.143 8.377 1.00 0.33 H new ATOM 0 HB2 MET A 76 1.529 11.417 6.375 1.00 22.52 H new ATOM 0 HB3 MET A 76 0.563 9.974 6.138 1.00 22.52 H new ATOM 0 HG2 MET A 76 -1.002 10.741 7.539 1.00 4.33 H new ATOM 0 HG3 MET A 76 0.169 10.855 8.838 1.00 4.33 H new ATOM 0 HE1 MET A 76 -1.025 14.228 5.926 1.00 33.45 H new ATOM 0 HE2 MET A 76 0.171 13.030 5.374 1.00 33.45 H new ATOM 0 HE3 MET A 76 -1.471 12.508 5.819 1.00 33.45 H new ATOM 1179 N GLN A 77 3.710 9.448 5.851 1.00 54.35 N ATOM 1180 CA GLN A 77 4.470 8.692 4.864 1.00 31.32 C ATOM 1181 C GLN A 77 5.133 7.476 5.503 1.00 51.43 C ATOM 1182 O GLN A 77 5.088 6.374 4.956 1.00 42.23 O ATOM 1183 CB GLN A 77 5.530 9.583 4.214 1.00 25.23 C ATOM 1184 CG GLN A 77 5.308 9.808 2.728 1.00 70.32 C ATOM 1185 CD GLN A 77 6.410 10.630 2.090 1.00 20.35 C ATOM 1186 OE1 GLN A 77 7.087 11.410 2.763 1.00 61.52 O ATOM 1187 NE2 GLN A 77 6.598 10.460 0.787 1.00 24.04 N ATOM 0 H GLN A 77 3.921 10.446 5.872 1.00 54.35 H new ATOM 0 HA GLN A 77 3.778 8.345 4.097 1.00 31.32 H new ATOM 0 HB2 GLN A 77 5.542 10.548 4.721 1.00 25.23 H new ATOM 0 HB3 GLN A 77 6.512 9.133 4.362 1.00 25.23 H new ATOM 0 HG2 GLN A 77 5.242 8.844 2.225 1.00 70.32 H new ATOM 0 HG3 GLN A 77 4.353 10.311 2.580 1.00 70.32 H new ATOM 0 HE21 GLN A 77 6.014 9.803 0.269 1.00 24.04 H new ATOM 0 HE22 GLN A 77 7.326 10.986 0.304 1.00 24.04 H new ATOM 1196 N GLN A 78 5.747 7.685 6.664 1.00 44.04 N ATOM 1197 CA GLN A 78 6.420 6.604 7.374 1.00 35.12 C ATOM 1198 C GLN A 78 5.432 5.508 7.760 1.00 21.32 C ATOM 1199 O GLN A 78 5.642 4.333 7.458 1.00 5.31 O ATOM 1200 CB GLN A 78 7.112 7.146 8.627 1.00 21.41 C ATOM 1201 CG GLN A 78 8.311 6.318 9.064 1.00 2.11 C ATOM 1202 CD GLN A 78 9.123 6.997 10.150 1.00 44.32 C ATOM 1203 OE1 GLN A 78 8.894 8.161 10.478 1.00 61.13 O ATOM 1204 NE2 GLN A 78 10.079 6.269 10.717 1.00 62.21 N ATOM 0 H GLN A 78 5.792 8.591 7.131 1.00 44.04 H new ATOM 0 HA GLN A 78 7.169 6.175 6.708 1.00 35.12 H new ATOM 0 HB2 GLN A 78 7.436 8.170 8.439 1.00 21.41 H new ATOM 0 HB3 GLN A 78 6.390 7.185 9.443 1.00 21.41 H new ATOM 0 HG2 GLN A 78 7.967 5.349 9.425 1.00 2.11 H new ATOM 0 HG3 GLN A 78 8.951 6.128 8.202 1.00 2.11 H new ATOM 0 HE21 GLN A 78 10.235 5.307 10.415 1.00 62.21 H new ATOM 0 HE22 GLN A 78 10.657 6.672 11.455 1.00 62.21 H new ATOM 1213 N LYS A 79 4.353 5.898 8.429 1.00 15.42 N ATOM 1214 CA LYS A 79 3.331 4.949 8.855 1.00 15.42 C ATOM 1215 C LYS A 79 2.894 4.062 7.694 1.00 11.22 C ATOM 1216 O LYS A 79 2.842 2.839 7.820 1.00 53.35 O ATOM 1217 CB LYS A 79 2.122 5.693 9.427 1.00 43.41 C ATOM 1218 CG LYS A 79 1.256 4.839 10.337 1.00 12.04 C ATOM 1219 CD LYS A 79 1.382 5.268 11.789 1.00 43.52 C ATOM 1220 CE LYS A 79 0.287 4.654 12.648 1.00 31.24 C ATOM 1221 NZ LYS A 79 -0.143 5.573 13.739 1.00 41.33 N ATOM 0 H LYS A 79 4.163 6.866 8.688 1.00 15.42 H new ATOM 0 HA LYS A 79 3.760 4.315 9.631 1.00 15.42 H new ATOM 0 HB2 LYS A 79 2.471 6.563 9.983 1.00 43.41 H new ATOM 0 HB3 LYS A 79 1.512 6.065 8.604 1.00 43.41 H new ATOM 0 HG2 LYS A 79 0.215 4.912 10.024 1.00 12.04 H new ATOM 0 HG3 LYS A 79 1.545 3.793 10.239 1.00 12.04 H new ATOM 0 HD2 LYS A 79 2.358 4.971 12.174 1.00 43.52 H new ATOM 0 HD3 LYS A 79 1.331 6.355 11.854 1.00 43.52 H new ATOM 0 HE2 LYS A 79 -0.570 4.407 12.022 1.00 31.24 H new ATOM 0 HE3 LYS A 79 0.645 3.720 13.080 1.00 31.24 H new ATOM 0 HZ1 LYS A 79 -0.890 5.118 14.302 1.00 41.33 H new ATOM 0 HZ2 LYS A 79 0.669 5.789 14.352 1.00 41.33 H new ATOM 0 HZ3 LYS A 79 -0.509 6.455 13.326 1.00 41.33 H new ATOM 1235 N MET A 80 2.583 4.687 6.564 1.00 50.51 N ATOM 1236 CA MET A 80 2.153 3.953 5.379 1.00 5.51 C ATOM 1237 C MET A 80 3.151 2.855 5.029 1.00 41.23 C ATOM 1238 O MET A 80 2.771 1.706 4.804 1.00 0.10 O ATOM 1239 CB MET A 80 1.988 4.907 4.194 1.00 61.02 C ATOM 1240 CG MET A 80 0.691 5.699 4.225 1.00 20.43 C ATOM 1241 SD MET A 80 0.043 6.037 2.578 1.00 2.33 S ATOM 1242 CE MET A 80 1.073 7.419 2.087 1.00 70.21 C ATOM 0 H MET A 80 2.620 5.699 6.443 1.00 50.51 H new ATOM 0 HA MET A 80 1.191 3.489 5.598 1.00 5.51 H new ATOM 0 HB2 MET A 80 2.828 5.602 4.178 1.00 61.02 H new ATOM 0 HB3 MET A 80 2.031 4.334 3.268 1.00 61.02 H new ATOM 0 HG2 MET A 80 -0.054 5.146 4.798 1.00 20.43 H new ATOM 0 HG3 MET A 80 0.858 6.642 4.746 1.00 20.43 H new ATOM 0 HE1 MET A 80 0.444 8.282 1.868 1.00 70.21 H new ATOM 0 HE2 MET A 80 1.760 7.667 2.896 1.00 70.21 H new ATOM 0 HE3 MET A 80 1.643 7.150 1.197 1.00 70.21 H new ATOM 1252 N LYS A 81 4.429 3.215 4.982 1.00 73.33 N ATOM 1253 CA LYS A 81 5.482 2.261 4.660 1.00 63.43 C ATOM 1254 C LYS A 81 5.442 1.067 5.607 1.00 74.53 C ATOM 1255 O LYS A 81 5.757 -0.057 5.217 1.00 74.14 O ATOM 1256 CB LYS A 81 6.852 2.938 4.732 1.00 32.31 C ATOM 1257 CG LYS A 81 7.337 3.477 3.397 1.00 11.31 C ATOM 1258 CD LYS A 81 8.853 3.455 3.304 1.00 34.12 C ATOM 1259 CE LYS A 81 9.334 2.449 2.269 1.00 52.13 C ATOM 1260 NZ LYS A 81 8.959 1.055 2.636 1.00 25.53 N ATOM 0 H LYS A 81 4.760 4.162 5.163 1.00 73.33 H new ATOM 0 HA LYS A 81 5.315 1.902 3.644 1.00 63.43 H new ATOM 0 HB2 LYS A 81 6.805 3.757 5.449 1.00 32.31 H new ATOM 0 HB3 LYS A 81 7.582 2.223 5.112 1.00 32.31 H new ATOM 0 HG2 LYS A 81 6.913 2.882 2.588 1.00 11.31 H new ATOM 0 HG3 LYS A 81 6.978 4.498 3.264 1.00 11.31 H new ATOM 0 HD2 LYS A 81 9.217 4.449 3.043 1.00 34.12 H new ATOM 0 HD3 LYS A 81 9.275 3.206 4.278 1.00 34.12 H new ATOM 0 HE2 LYS A 81 8.908 2.696 1.297 1.00 52.13 H new ATOM 0 HE3 LYS A 81 10.417 2.520 2.169 1.00 52.13 H new ATOM 0 HZ1 LYS A 81 9.390 0.391 1.962 1.00 25.53 H new ATOM 0 HZ2 LYS A 81 9.300 0.845 3.596 1.00 25.53 H new ATOM 0 HZ3 LYS A 81 7.924 0.955 2.607 1.00 25.53 H new ATOM 1274 N GLU A 82 5.053 1.318 6.854 1.00 70.50 N ATOM 1275 CA GLU A 82 4.974 0.261 7.856 1.00 1.45 C ATOM 1276 C GLU A 82 3.714 -0.576 7.662 1.00 74.22 C ATOM 1277 O GLU A 82 3.708 -1.780 7.922 1.00 61.03 O ATOM 1278 CB GLU A 82 4.990 0.861 9.264 1.00 41.43 C ATOM 1279 CG GLU A 82 5.982 2.002 9.429 1.00 62.45 C ATOM 1280 CD GLU A 82 6.702 1.957 10.762 1.00 31.42 C ATOM 1281 OE1 GLU A 82 7.366 0.937 11.044 1.00 55.22 O ATOM 1282 OE2 GLU A 82 6.604 2.943 11.522 1.00 54.12 O ATOM 0 H GLU A 82 4.788 2.243 7.194 1.00 70.50 H new ATOM 0 HA GLU A 82 5.842 -0.387 7.735 1.00 1.45 H new ATOM 0 HB2 GLU A 82 3.991 1.222 9.507 1.00 41.43 H new ATOM 0 HB3 GLU A 82 5.229 0.076 9.982 1.00 41.43 H new ATOM 0 HG2 GLU A 82 6.714 1.962 8.623 1.00 62.45 H new ATOM 0 HG3 GLU A 82 5.457 2.952 9.335 1.00 62.45 H new ATOM 1290 N THR A 83 2.645 0.069 7.205 1.00 65.03 N ATOM 1291 CA THR A 83 1.377 -0.616 6.978 1.00 21.52 C ATOM 1292 C THR A 83 1.396 -1.384 5.661 1.00 13.31 C ATOM 1293 O THR A 83 0.613 -2.314 5.464 1.00 62.01 O ATOM 1294 CB THR A 83 0.199 0.375 6.966 1.00 23.10 C ATOM 1295 OG1 THR A 83 0.161 1.107 8.195 1.00 15.05 O ATOM 1296 CG2 THR A 83 -1.120 -0.356 6.764 1.00 4.22 C ATOM 0 H THR A 83 2.632 1.065 6.985 1.00 65.03 H new ATOM 0 HA THR A 83 1.243 -1.317 7.802 1.00 21.52 H new ATOM 0 HB THR A 83 0.344 1.067 6.137 1.00 23.10 H new ATOM 0 HG1 THR A 83 -0.603 1.721 8.187 1.00 15.05 H new ATOM 0 HG21 THR A 83 -1.938 0.364 6.759 1.00 4.22 H new ATOM 0 HG22 THR A 83 -1.099 -0.888 5.813 1.00 4.22 H new ATOM 0 HG23 THR A 83 -1.269 -1.069 7.575 1.00 4.22 H new ATOM 1304 N LEU A 84 2.293 -0.990 4.765 1.00 61.34 N ATOM 1305 CA LEU A 84 2.414 -1.642 3.466 1.00 72.34 C ATOM 1306 C LEU A 84 2.921 -3.072 3.619 1.00 21.31 C ATOM 1307 O LEU A 84 2.249 -4.025 3.225 1.00 12.42 O ATOM 1308 CB LEU A 84 3.356 -0.849 2.560 1.00 30.35 C ATOM 1309 CG LEU A 84 4.086 -1.652 1.482 1.00 51.43 C ATOM 1310 CD1 LEU A 84 3.088 -2.324 0.550 1.00 12.11 C ATOM 1311 CD2 LEU A 84 5.030 -0.755 0.695 1.00 31.31 C ATOM 0 H LEU A 84 2.948 -0.222 4.914 1.00 61.34 H new ATOM 0 HA LEU A 84 1.424 -1.674 3.011 1.00 72.34 H new ATOM 0 HB2 LEU A 84 2.781 -0.062 2.072 1.00 30.35 H new ATOM 0 HB3 LEU A 84 4.101 -0.358 3.186 1.00 30.35 H new ATOM 0 HG LEU A 84 4.676 -2.427 1.971 1.00 51.43 H new ATOM 0 HD11 LEU A 84 3.625 -2.891 -0.211 1.00 12.11 H new ATOM 0 HD12 LEU A 84 2.452 -2.998 1.123 1.00 12.11 H new ATOM 0 HD13 LEU A 84 2.471 -1.565 0.069 1.00 12.11 H new ATOM 0 HD21 LEU A 84 5.540 -1.344 -0.067 1.00 31.31 H new ATOM 0 HD22 LEU A 84 4.461 0.042 0.217 1.00 31.31 H new ATOM 0 HD23 LEU A 84 5.766 -0.320 1.371 1.00 31.31 H new ATOM 1323 N GLN A 85 4.109 -3.215 4.198 1.00 30.11 N ATOM 1324 CA GLN A 85 4.705 -4.529 4.405 1.00 22.03 C ATOM 1325 C GLN A 85 3.718 -5.474 5.081 1.00 34.32 C ATOM 1326 O GLN A 85 3.613 -6.644 4.715 1.00 21.44 O ATOM 1327 CB GLN A 85 5.975 -4.409 5.250 1.00 64.53 C ATOM 1328 CG GLN A 85 5.723 -3.889 6.656 1.00 63.14 C ATOM 1329 CD GLN A 85 5.437 -5.000 7.647 1.00 62.34 C ATOM 1330 OE1 GLN A 85 5.913 -6.126 7.489 1.00 3.14 O ATOM 1331 NE2 GLN A 85 4.658 -4.691 8.675 1.00 54.11 N ATOM 0 H GLN A 85 4.677 -2.437 4.532 1.00 30.11 H new ATOM 0 HA GLN A 85 4.964 -4.940 3.429 1.00 22.03 H new ATOM 0 HB2 GLN A 85 6.453 -5.387 5.313 1.00 64.53 H new ATOM 0 HB3 GLN A 85 6.676 -3.744 4.746 1.00 64.53 H new ATOM 0 HG2 GLN A 85 6.592 -3.323 6.991 1.00 63.14 H new ATOM 0 HG3 GLN A 85 4.880 -3.198 6.638 1.00 63.14 H new ATOM 0 HE21 GLN A 85 4.285 -3.746 8.767 1.00 54.11 H new ATOM 0 HE22 GLN A 85 4.431 -5.398 9.374 1.00 54.11 H new ATOM 1340 N ASN A 86 2.995 -4.958 6.070 1.00 31.04 N ATOM 1341 CA ASN A 86 2.015 -5.756 6.798 1.00 61.45 C ATOM 1342 C ASN A 86 0.818 -6.090 5.912 1.00 34.13 C ATOM 1343 O ASN A 86 0.049 -7.004 6.209 1.00 75.34 O ATOM 1344 CB ASN A 86 1.546 -5.009 8.049 1.00 63.23 C ATOM 1345 CG ASN A 86 1.513 -5.900 9.276 1.00 71.54 C ATOM 1346 OD1 ASN A 86 1.881 -7.074 9.214 1.00 32.15 O ATOM 1347 ND2 ASN A 86 1.072 -5.345 10.397 1.00 40.24 N ATOM 0 H ASN A 86 3.069 -3.991 6.386 1.00 31.04 H new ATOM 0 HA ASN A 86 2.493 -6.688 7.098 1.00 61.45 H new ATOM 0 HB2 ASN A 86 2.209 -4.164 8.235 1.00 63.23 H new ATOM 0 HB3 ASN A 86 0.551 -4.600 7.873 1.00 63.23 H new ATOM 0 HD21 ASN A 86 1.027 -5.895 11.255 1.00 40.24 H new ATOM 0 HD22 ASN A 86 0.778 -4.368 10.401 1.00 40.24 H new ATOM 1354 N VAL A 87 0.669 -5.343 4.824 1.00 40.13 N ATOM 1355 CA VAL A 87 -0.433 -5.561 3.893 1.00 12.04 C ATOM 1356 C VAL A 87 -0.042 -6.550 2.801 1.00 31.14 C ATOM 1357 O VAL A 87 -0.660 -7.605 2.655 1.00 31.35 O ATOM 1358 CB VAL A 87 -0.882 -4.241 3.238 1.00 51.25 C ATOM 1359 CG1 VAL A 87 -1.846 -4.514 2.094 1.00 72.33 C ATOM 1360 CG2 VAL A 87 -1.518 -3.323 4.272 1.00 10.10 C ATOM 0 H VAL A 87 1.296 -4.582 4.565 1.00 40.13 H new ATOM 0 HA VAL A 87 -1.261 -5.972 4.471 1.00 12.04 H new ATOM 0 HB VAL A 87 -0.003 -3.740 2.831 1.00 51.25 H new ATOM 0 HG11 VAL A 87 -2.152 -3.570 1.643 1.00 72.33 H new ATOM 0 HG12 VAL A 87 -1.354 -5.132 1.343 1.00 72.33 H new ATOM 0 HG13 VAL A 87 -2.724 -5.036 2.475 1.00 72.33 H new ATOM 0 HG21 VAL A 87 -1.829 -2.395 3.792 1.00 10.10 H new ATOM 0 HG22 VAL A 87 -2.387 -3.815 4.710 1.00 10.10 H new ATOM 0 HG23 VAL A 87 -0.794 -3.101 5.056 1.00 10.10 H new ATOM 1370 N ARG A 88 0.988 -6.202 2.035 1.00 50.43 N ATOM 1371 CA ARG A 88 1.458 -7.060 0.955 1.00 3.04 C ATOM 1372 C ARG A 88 1.432 -8.527 1.373 1.00 52.11 C ATOM 1373 O ARG A 88 0.923 -9.382 0.647 1.00 20.14 O ATOM 1374 CB ARG A 88 2.878 -6.662 0.543 1.00 55.35 C ATOM 1375 CG ARG A 88 2.959 -6.041 -0.842 1.00 71.31 C ATOM 1376 CD ARG A 88 4.374 -5.591 -1.169 1.00 4.24 C ATOM 1377 NE ARG A 88 4.690 -5.760 -2.585 1.00 32.30 N ATOM 1378 CZ ARG A 88 5.741 -5.203 -3.175 1.00 72.41 C ATOM 1379 NH1 ARG A 88 6.574 -4.444 -2.476 1.00 20.33 N ATOM 1380 NH2 ARG A 88 5.962 -5.405 -4.468 1.00 53.21 N ATOM 0 H ARG A 88 1.511 -5.333 2.143 1.00 50.43 H new ATOM 0 HA ARG A 88 0.788 -6.931 0.105 1.00 3.04 H new ATOM 0 HB2 ARG A 88 3.274 -5.956 1.272 1.00 55.35 H new ATOM 0 HB3 ARG A 88 3.517 -7.544 0.574 1.00 55.35 H new ATOM 0 HG2 ARG A 88 2.625 -6.764 -1.586 1.00 71.31 H new ATOM 0 HG3 ARG A 88 2.282 -5.188 -0.900 1.00 71.31 H new ATOM 0 HD2 ARG A 88 4.494 -4.543 -0.894 1.00 4.24 H new ATOM 0 HD3 ARG A 88 5.083 -6.161 -0.569 1.00 4.24 H new ATOM 0 HE ARG A 88 4.069 -6.338 -3.152 1.00 32.30 H new ATOM 0 HH11 ARG A 88 6.408 -4.287 -1.482 1.00 20.33 H new ATOM 0 HH12 ARG A 88 7.380 -4.018 -2.932 1.00 20.33 H new ATOM 0 HH21 ARG A 88 5.324 -5.989 -5.009 1.00 53.21 H new ATOM 0 HH22 ARG A 88 6.770 -4.977 -4.920 1.00 53.21 H new ATOM 1394 N THR A 89 1.983 -8.812 2.549 1.00 33.44 N ATOM 1395 CA THR A 89 2.024 -10.175 3.064 1.00 4.33 C ATOM 1396 C THR A 89 0.620 -10.702 3.333 1.00 73.32 C ATOM 1397 O THR A 89 0.274 -11.811 2.925 1.00 33.14 O ATOM 1398 CB THR A 89 2.850 -10.261 4.361 1.00 63.02 C ATOM 1399 OG1 THR A 89 4.204 -10.614 4.056 1.00 54.23 O ATOM 1400 CG2 THR A 89 2.256 -11.287 5.314 1.00 63.04 C ATOM 0 H THR A 89 2.407 -8.117 3.163 1.00 33.44 H new ATOM 0 HA THR A 89 2.499 -10.788 2.299 1.00 4.33 H new ATOM 0 HB THR A 89 2.829 -9.284 4.845 1.00 63.02 H new ATOM 0 HG1 THR A 89 4.724 -10.665 4.885 1.00 54.23 H new ATOM 0 HG21 THR A 89 2.856 -11.330 6.223 1.00 63.04 H new ATOM 0 HG22 THR A 89 1.235 -11.001 5.567 1.00 63.04 H new ATOM 0 HG23 THR A 89 2.250 -12.267 4.836 1.00 63.04 H new ATOM 1408 N ARG A 90 -0.186 -9.902 4.023 1.00 4.30 N ATOM 1409 CA ARG A 90 -1.554 -10.289 4.348 1.00 50.24 C ATOM 1410 C ARG A 90 -2.318 -10.691 3.089 1.00 53.10 C ATOM 1411 O ARG A 90 -2.915 -11.767 3.030 1.00 45.34 O ATOM 1412 CB ARG A 90 -2.279 -9.141 5.052 1.00 11.43 C ATOM 1413 CG ARG A 90 -2.323 -9.286 6.565 1.00 64.24 C ATOM 1414 CD ARG A 90 -1.059 -9.944 7.098 1.00 72.45 C ATOM 1415 NE ARG A 90 -0.682 -9.421 8.409 1.00 75.32 N ATOM 1416 CZ ARG A 90 0.224 -9.992 9.195 1.00 65.54 C ATOM 1417 NH1 ARG A 90 0.841 -11.100 8.804 1.00 55.31 N ATOM 1418 NH2 ARG A 90 0.514 -9.456 10.373 1.00 31.41 N ATOM 0 H ARG A 90 0.085 -8.981 4.368 1.00 4.30 H new ATOM 0 HA ARG A 90 -1.512 -11.148 5.018 1.00 50.24 H new ATOM 0 HB2 ARG A 90 -1.786 -8.202 4.799 1.00 11.43 H new ATOM 0 HB3 ARG A 90 -3.299 -9.078 4.671 1.00 11.43 H new ATOM 0 HG2 ARG A 90 -2.444 -8.304 7.022 1.00 64.24 H new ATOM 0 HG3 ARG A 90 -3.192 -9.880 6.850 1.00 64.24 H new ATOM 0 HD2 ARG A 90 -1.212 -11.021 7.168 1.00 72.45 H new ATOM 0 HD3 ARG A 90 -0.242 -9.783 6.395 1.00 72.45 H new ATOM 0 HE ARG A 90 -1.139 -8.571 8.739 1.00 75.32 H new ATOM 0 HH11 ARG A 90 0.620 -11.515 7.899 1.00 55.31 H new ATOM 0 HH12 ARG A 90 1.536 -11.537 9.409 1.00 55.31 H new ATOM 0 HH21 ARG A 90 0.041 -8.605 10.676 1.00 31.41 H new ATOM 0 HH22 ARG A 90 1.210 -9.895 10.976 1.00 31.41 H new ATOM 1432 N LEU A 91 -2.296 -9.820 2.086 1.00 25.13 N ATOM 1433 CA LEU A 91 -2.987 -10.083 0.829 1.00 22.11 C ATOM 1434 C LEU A 91 -2.444 -11.342 0.162 1.00 65.21 C ATOM 1435 O LEU A 91 -3.164 -12.036 -0.556 1.00 61.11 O ATOM 1436 CB LEU A 91 -2.840 -8.889 -0.116 1.00 51.54 C ATOM 1437 CG LEU A 91 -3.142 -9.159 -1.591 1.00 15.31 C ATOM 1438 CD1 LEU A 91 -4.639 -9.313 -1.810 1.00 63.41 C ATOM 1439 CD2 LEU A 91 -2.586 -8.041 -2.461 1.00 11.22 C ATOM 0 H LEU A 91 -1.807 -8.925 2.119 1.00 25.13 H new ATOM 0 HA LEU A 91 -4.043 -10.237 1.049 1.00 22.11 H new ATOM 0 HB2 LEU A 91 -3.501 -8.094 0.230 1.00 51.54 H new ATOM 0 HB3 LEU A 91 -1.820 -8.513 -0.038 1.00 51.54 H new ATOM 0 HG LEU A 91 -2.656 -10.092 -1.877 1.00 15.31 H new ATOM 0 HD11 LEU A 91 -4.835 -9.505 -2.865 1.00 63.41 H new ATOM 0 HD12 LEU A 91 -5.010 -10.148 -1.215 1.00 63.41 H new ATOM 0 HD13 LEU A 91 -5.147 -8.397 -1.507 1.00 63.41 H new ATOM 0 HD21 LEU A 91 -2.810 -8.249 -3.507 1.00 11.22 H new ATOM 0 HD22 LEU A 91 -3.043 -7.094 -2.173 1.00 11.22 H new ATOM 0 HD23 LEU A 91 -1.506 -7.978 -2.326 1.00 11.22 H new ATOM 1451 N GLU A 92 -1.170 -11.634 0.407 1.00 3.25 N ATOM 1452 CA GLU A 92 -0.531 -12.811 -0.170 1.00 70.32 C ATOM 1453 C GLU A 92 -1.156 -14.090 0.378 1.00 3.10 C ATOM 1454 O GLU A 92 -1.509 -14.995 -0.380 1.00 21.33 O ATOM 1455 CB GLU A 92 0.972 -12.797 0.122 1.00 53.14 C ATOM 1456 CG GLU A 92 1.833 -12.745 -1.128 1.00 30.01 C ATOM 1457 CD GLU A 92 2.732 -13.958 -1.268 1.00 54.50 C ATOM 1458 OE1 GLU A 92 3.161 -14.501 -0.228 1.00 24.01 O ATOM 1459 OE2 GLU A 92 3.007 -14.364 -2.416 1.00 4.53 O ATOM 0 H GLU A 92 -0.561 -11.072 1.001 1.00 3.25 H new ATOM 0 HA GLU A 92 -0.684 -12.786 -1.249 1.00 70.32 H new ATOM 0 HB2 GLU A 92 1.204 -11.936 0.749 1.00 53.14 H new ATOM 0 HB3 GLU A 92 1.231 -13.688 0.695 1.00 53.14 H new ATOM 0 HG2 GLU A 92 1.190 -12.671 -2.005 1.00 30.01 H new ATOM 0 HG3 GLU A 92 2.446 -11.844 -1.105 1.00 30.01 H new ATOM 1467 N ILE A 93 -1.288 -14.159 1.698 1.00 74.42 N ATOM 1468 CA ILE A 93 -1.872 -15.328 2.347 1.00 1.11 C ATOM 1469 C ILE A 93 -3.240 -15.657 1.760 1.00 25.43 C ATOM 1470 O ILE A 93 -3.624 -16.825 1.670 1.00 42.41 O ATOM 1471 CB ILE A 93 -2.014 -15.116 3.866 1.00 23.51 C ATOM 1472 CG1 ILE A 93 -0.635 -14.971 4.513 1.00 3.25 C ATOM 1473 CG2 ILE A 93 -2.779 -16.273 4.492 1.00 11.23 C ATOM 1474 CD1 ILE A 93 -0.611 -13.993 5.668 1.00 5.21 C ATOM 0 H ILE A 93 -0.999 -13.420 2.339 1.00 74.42 H new ATOM 0 HA ILE A 93 -1.193 -16.161 2.167 1.00 1.11 H new ATOM 0 HB ILE A 93 -2.575 -14.198 4.040 1.00 23.51 H new ATOM 0 HG12 ILE A 93 -0.304 -15.947 4.867 1.00 3.25 H new ATOM 0 HG13 ILE A 93 0.080 -14.646 3.757 1.00 3.25 H new ATOM 0 HG21 ILE A 93 -2.872 -16.109 5.566 1.00 11.23 H new ATOM 0 HG22 ILE A 93 -3.772 -16.335 4.047 1.00 11.23 H new ATOM 0 HG23 ILE A 93 -2.242 -17.204 4.312 1.00 11.23 H new ATOM 0 HD11 ILE A 93 0.397 -13.940 6.079 1.00 5.21 H new ATOM 0 HD12 ILE A 93 -0.912 -13.006 5.316 1.00 5.21 H new ATOM 0 HD13 ILE A 93 -1.301 -14.327 6.442 1.00 5.21 H new ATOM 1486 N LEU A 94 -3.971 -14.622 1.362 1.00 64.41 N ATOM 1487 CA LEU A 94 -5.297 -14.801 0.781 1.00 72.13 C ATOM 1488 C LEU A 94 -5.203 -15.403 -0.617 1.00 23.22 C ATOM 1489 O LEU A 94 -5.956 -16.313 -0.963 1.00 4.24 O ATOM 1490 CB LEU A 94 -6.036 -13.462 0.724 1.00 23.23 C ATOM 1491 CG LEU A 94 -7.055 -13.209 1.836 1.00 35.23 C ATOM 1492 CD1 LEU A 94 -6.907 -11.800 2.386 1.00 34.21 C ATOM 1493 CD2 LEU A 94 -8.469 -13.439 1.325 1.00 1.31 C ATOM 0 H LEU A 94 -3.668 -13.650 1.431 1.00 64.41 H new ATOM 0 HA LEU A 94 -5.854 -15.490 1.416 1.00 72.13 H new ATOM 0 HB2 LEU A 94 -5.297 -12.661 0.747 1.00 23.23 H new ATOM 0 HB3 LEU A 94 -6.550 -13.394 -0.235 1.00 23.23 H new ATOM 0 HG LEU A 94 -6.863 -13.914 2.645 1.00 35.23 H new ATOM 0 HD11 LEU A 94 -7.640 -11.639 3.176 1.00 34.21 H new ATOM 0 HD12 LEU A 94 -5.903 -11.671 2.791 1.00 34.21 H new ATOM 0 HD13 LEU A 94 -7.071 -11.078 1.586 1.00 34.21 H new ATOM 0 HD21 LEU A 94 -9.181 -13.255 2.129 1.00 1.31 H new ATOM 0 HD22 LEU A 94 -8.672 -12.759 0.498 1.00 1.31 H new ATOM 0 HD23 LEU A 94 -8.569 -14.469 0.981 1.00 1.31 H new ATOM 1505 N GLU A 95 -4.273 -14.888 -1.416 1.00 31.42 N ATOM 1506 CA GLU A 95 -4.081 -15.376 -2.776 1.00 63.25 C ATOM 1507 C GLU A 95 -3.642 -16.838 -2.773 1.00 31.22 C ATOM 1508 O GLU A 95 -4.105 -17.640 -3.584 1.00 11.33 O ATOM 1509 CB GLU A 95 -3.043 -14.522 -3.506 1.00 45.33 C ATOM 1510 CG GLU A 95 -3.492 -13.090 -3.748 1.00 74.13 C ATOM 1511 CD GLU A 95 -2.864 -12.482 -4.985 1.00 24.52 C ATOM 1512 OE1 GLU A 95 -2.649 -13.223 -5.967 1.00 74.14 O ATOM 1513 OE2 GLU A 95 -2.586 -11.265 -4.973 1.00 5.31 O ATOM 0 H GLU A 95 -3.642 -14.134 -1.145 1.00 31.42 H new ATOM 0 HA GLU A 95 -5.034 -15.302 -3.299 1.00 63.25 H new ATOM 0 HB2 GLU A 95 -2.121 -14.511 -2.925 1.00 45.33 H new ATOM 0 HB3 GLU A 95 -2.811 -14.988 -4.464 1.00 45.33 H new ATOM 0 HG2 GLU A 95 -4.577 -13.066 -3.847 1.00 74.13 H new ATOM 0 HG3 GLU A 95 -3.237 -12.482 -2.880 1.00 74.13 H new ATOM 1521 N LYS A 96 -2.743 -17.176 -1.855 1.00 33.00 N ATOM 1522 CA LYS A 96 -2.239 -18.541 -1.742 1.00 45.33 C ATOM 1523 C LYS A 96 -3.041 -19.334 -0.717 1.00 73.22 C ATOM 1524 O LYS A 96 -2.659 -20.440 -0.334 1.00 43.20 O ATOM 1525 CB LYS A 96 -0.760 -18.530 -1.352 1.00 74.33 C ATOM 1526 CG LYS A 96 -0.522 -18.243 0.120 1.00 44.34 C ATOM 1527 CD LYS A 96 0.958 -18.071 0.423 1.00 33.11 C ATOM 1528 CE LYS A 96 1.324 -18.679 1.768 1.00 32.43 C ATOM 1529 NZ LYS A 96 1.499 -20.156 1.680 1.00 14.01 N ATOM 0 H LYS A 96 -2.348 -16.524 -1.178 1.00 33.00 H new ATOM 0 HA LYS A 96 -2.348 -19.023 -2.713 1.00 45.33 H new ATOM 0 HB2 LYS A 96 -0.320 -19.496 -1.601 1.00 74.33 H new ATOM 0 HB3 LYS A 96 -0.241 -17.780 -1.949 1.00 74.33 H new ATOM 0 HG2 LYS A 96 -1.060 -17.340 0.407 1.00 44.34 H new ATOM 0 HG3 LYS A 96 -0.925 -19.059 0.720 1.00 44.34 H new ATOM 0 HD2 LYS A 96 1.549 -18.541 -0.363 1.00 33.11 H new ATOM 0 HD3 LYS A 96 1.210 -17.011 0.421 1.00 33.11 H new ATOM 0 HE2 LYS A 96 2.245 -18.225 2.133 1.00 32.43 H new ATOM 0 HE3 LYS A 96 0.545 -18.448 2.495 1.00 32.43 H new ATOM 0 HZ1 LYS A 96 1.748 -20.533 2.617 1.00 14.01 H new ATOM 0 HZ2 LYS A 96 0.612 -20.592 1.356 1.00 14.01 H new ATOM 0 HZ3 LYS A 96 2.259 -20.376 1.005 1.00 14.01 H new ATOM 1543 N GLY A 97 -4.159 -18.764 -0.275 1.00 21.23 N ATOM 1544 CA GLY A 97 -4.996 -19.434 0.702 1.00 13.34 C ATOM 1545 C GLY A 97 -6.388 -19.718 0.174 1.00 74.15 C ATOM 1546 O GLY A 97 -7.287 -20.082 0.933 1.00 41.15 O ATOM 0 H GLY A 97 -4.499 -17.851 -0.576 1.00 21.23 H new ATOM 0 HA2 GLY A 97 -4.525 -20.371 0.998 1.00 13.34 H new ATOM 0 HA3 GLY A 97 -5.069 -18.817 1.598 1.00 13.34 H new ATOM 1550 N LEU A 98 -6.568 -19.551 -1.132 1.00 54.34 N ATOM 1551 CA LEU A 98 -7.861 -19.792 -1.762 1.00 54.44 C ATOM 1552 C LEU A 98 -8.016 -21.261 -2.146 1.00 3.33 C ATOM 1553 O LEU A 98 -9.112 -21.816 -2.085 1.00 73.11 O ATOM 1554 CB LEU A 98 -8.019 -18.911 -3.002 1.00 11.32 C ATOM 1555 CG LEU A 98 -9.451 -18.688 -3.491 1.00 62.45 C ATOM 1556 CD1 LEU A 98 -10.146 -17.632 -2.646 1.00 45.42 C ATOM 1557 CD2 LEU A 98 -9.458 -18.290 -4.959 1.00 44.10 C ATOM 0 H LEU A 98 -5.835 -19.250 -1.774 1.00 54.34 H new ATOM 0 HA LEU A 98 -8.639 -19.539 -1.042 1.00 54.44 H new ATOM 0 HB2 LEU A 98 -7.573 -17.939 -2.791 1.00 11.32 H new ATOM 0 HB3 LEU A 98 -7.444 -19.356 -3.814 1.00 11.32 H new ATOM 0 HG LEU A 98 -9.999 -19.624 -3.387 1.00 62.45 H new ATOM 0 HD11 LEU A 98 -11.163 -17.487 -3.009 1.00 45.42 H new ATOM 0 HD12 LEU A 98 -10.175 -17.959 -1.607 1.00 45.42 H new ATOM 0 HD13 LEU A 98 -9.599 -16.692 -2.716 1.00 45.42 H new ATOM 0 HD21 LEU A 98 -10.485 -18.136 -5.289 1.00 44.10 H new ATOM 0 HD22 LEU A 98 -8.893 -17.367 -5.088 1.00 44.10 H new ATOM 0 HD23 LEU A 98 -9.001 -19.082 -5.553 1.00 44.10 H new ATOM 1569 N ALA A 99 -6.910 -21.882 -2.539 1.00 61.51 N ATOM 1570 CA ALA A 99 -6.921 -23.288 -2.930 1.00 22.14 C ATOM 1571 C ALA A 99 -6.522 -24.183 -1.762 1.00 72.03 C ATOM 1572 O ALA A 99 -6.045 -25.302 -1.958 1.00 65.55 O ATOM 1573 CB ALA A 99 -5.992 -23.514 -4.113 1.00 74.51 C ATOM 0 H ALA A 99 -5.995 -21.435 -2.596 1.00 61.51 H new ATOM 0 HA ALA A 99 -7.937 -23.551 -3.226 1.00 22.14 H new ATOM 0 HB1 ALA A 99 -6.010 -24.567 -4.394 1.00 74.51 H new ATOM 0 HB2 ALA A 99 -6.323 -22.908 -4.956 1.00 74.51 H new ATOM 0 HB3 ALA A 99 -4.976 -23.229 -3.838 1.00 74.51 H new ATOM 1579 N THR A 100 -6.719 -23.686 -0.545 1.00 45.30 N ATOM 1580 CA THR A 100 -6.378 -24.441 0.654 1.00 31.04 C ATOM 1581 C THR A 100 -6.995 -23.808 1.896 1.00 23.42 C ATOM 1582 O THR A 100 -6.426 -22.888 2.483 1.00 10.05 O ATOM 1583 CB THR A 100 -4.852 -24.536 0.844 1.00 12.33 C ATOM 1584 OG1 THR A 100 -4.298 -25.459 -0.099 1.00 20.55 O ATOM 1585 CG2 THR A 100 -4.509 -24.978 2.258 1.00 61.11 C ATOM 0 H THR A 100 -7.113 -22.763 -0.364 1.00 45.30 H new ATOM 0 HA THR A 100 -6.783 -25.444 0.521 1.00 31.04 H new ATOM 0 HB THR A 100 -4.425 -23.547 0.677 1.00 12.33 H new ATOM 0 HG1 THR A 100 -5.010 -25.801 -0.679 1.00 20.55 H new ATOM 0 HG21 THR A 100 -3.426 -25.038 2.368 1.00 61.11 H new ATOM 0 HG22 THR A 100 -4.907 -24.256 2.971 1.00 61.11 H new ATOM 0 HG23 THR A 100 -4.948 -25.957 2.450 1.00 61.11 H new ATOM 1593 N SER A 101 -8.161 -24.309 2.292 1.00 11.20 N ATOM 1594 CA SER A 101 -8.857 -23.790 3.464 1.00 12.34 C ATOM 1595 C SER A 101 -9.667 -24.888 4.146 1.00 24.04 C ATOM 1596 O SER A 101 -10.822 -24.683 4.518 1.00 43.12 O ATOM 1597 CB SER A 101 -9.778 -22.634 3.066 1.00 23.11 C ATOM 1598 OG SER A 101 -10.184 -22.749 1.713 1.00 4.13 O ATOM 0 H SER A 101 -8.643 -25.073 1.819 1.00 11.20 H new ATOM 0 HA SER A 101 -8.109 -23.424 4.167 1.00 12.34 H new ATOM 0 HB2 SER A 101 -10.655 -22.624 3.713 1.00 23.11 H new ATOM 0 HB3 SER A 101 -9.262 -21.686 3.215 1.00 23.11 H new ATOM 0 HG SER A 101 -10.773 -22.000 1.483 1.00 4.13 H new ATOM 1604 N LEU A 102 -9.050 -26.054 4.308 1.00 52.13 N ATOM 1605 CA LEU A 102 -9.711 -27.187 4.946 1.00 41.44 C ATOM 1606 C LEU A 102 -9.551 -27.129 6.461 1.00 64.21 C ATOM 1607 O LEU A 102 -10.229 -27.848 7.194 1.00 33.23 O ATOM 1608 CB LEU A 102 -9.143 -28.501 4.411 1.00 64.42 C ATOM 1609 CG LEU A 102 -9.687 -28.969 3.061 1.00 62.24 C ATOM 1610 CD1 LEU A 102 -11.207 -29.032 3.090 1.00 4.15 C ATOM 1611 CD2 LEU A 102 -9.211 -28.051 1.946 1.00 25.24 C ATOM 0 H LEU A 102 -8.093 -26.239 4.006 1.00 52.13 H new ATOM 0 HA LEU A 102 -10.774 -27.136 4.710 1.00 41.44 H new ATOM 0 HB2 LEU A 102 -8.061 -28.398 4.328 1.00 64.42 H new ATOM 0 HB3 LEU A 102 -9.334 -29.282 5.147 1.00 64.42 H new ATOM 0 HG LEU A 102 -9.306 -29.971 2.866 1.00 62.24 H new ATOM 0 HD11 LEU A 102 -11.576 -29.367 2.121 1.00 4.15 H new ATOM 0 HD12 LEU A 102 -11.527 -29.732 3.862 1.00 4.15 H new ATOM 0 HD13 LEU A 102 -11.608 -28.042 3.308 1.00 4.15 H new ATOM 0 HD21 LEU A 102 -9.608 -28.400 0.993 1.00 25.24 H new ATOM 0 HD22 LEU A 102 -9.561 -27.036 2.136 1.00 25.24 H new ATOM 0 HD23 LEU A 102 -8.122 -28.058 1.909 1.00 25.24 H new ATOM 1623 N GLN A 103 -8.652 -26.266 6.923 1.00 0.54 N ATOM 1624 CA GLN A 103 -8.404 -26.113 8.351 1.00 71.41 C ATOM 1625 C GLN A 103 -8.722 -24.694 8.811 1.00 41.33 C ATOM 1626 O GLN A 103 -7.946 -23.767 8.580 1.00 72.14 O ATOM 1627 CB GLN A 103 -6.948 -26.453 8.677 1.00 34.23 C ATOM 1628 CG GLN A 103 -6.017 -26.345 7.481 1.00 23.44 C ATOM 1629 CD GLN A 103 -4.648 -26.939 7.753 1.00 2.33 C ATOM 1630 OE1 GLN A 103 -4.489 -28.159 7.813 1.00 4.43 O ATOM 1631 NE2 GLN A 103 -3.651 -26.078 7.918 1.00 42.13 N ATOM 0 H GLN A 103 -8.084 -25.662 6.329 1.00 0.54 H new ATOM 0 HA GLN A 103 -9.059 -26.803 8.883 1.00 71.41 H new ATOM 0 HB2 GLN A 103 -6.595 -25.786 9.463 1.00 34.23 H new ATOM 0 HB3 GLN A 103 -6.900 -27.467 9.074 1.00 34.23 H new ATOM 0 HG2 GLN A 103 -6.467 -26.853 6.628 1.00 23.44 H new ATOM 0 HG3 GLN A 103 -5.906 -25.296 7.205 1.00 23.44 H new ATOM 0 HE21 GLN A 103 -3.828 -25.075 7.860 1.00 42.13 H new ATOM 0 HE22 GLN A 103 -2.708 -26.419 8.103 1.00 42.13 H new ATOM 1640 N ASN A 104 -9.870 -24.531 9.461 1.00 14.53 N ATOM 1641 CA ASN A 104 -10.291 -23.223 9.952 1.00 51.05 C ATOM 1642 C ASN A 104 -9.615 -22.897 11.280 1.00 73.22 C ATOM 1643 O ASN A 104 -9.566 -21.740 11.695 1.00 0.02 O ATOM 1644 CB ASN A 104 -11.812 -23.185 10.118 1.00 32.11 C ATOM 1645 CG ASN A 104 -12.231 -22.822 11.530 1.00 20.34 C ATOM 1646 OD1 ASN A 104 -12.290 -23.679 12.411 1.00 41.44 O ATOM 1647 ND2 ASN A 104 -12.522 -21.545 11.751 1.00 34.43 N ATOM 0 H ASN A 104 -10.525 -25.287 9.660 1.00 14.53 H new ATOM 0 HA ASN A 104 -9.992 -22.473 9.220 1.00 51.05 H new ATOM 0 HB2 ASN A 104 -12.233 -22.462 9.420 1.00 32.11 H new ATOM 0 HB3 ASN A 104 -12.228 -24.158 9.858 1.00 32.11 H new ATOM 0 HD21 ASN A 104 -12.808 -21.241 12.682 1.00 34.43 H new ATOM 0 HD22 ASN A 104 -12.459 -20.869 10.990 1.00 34.43 H new ATOM 1654 N ASP A 105 -9.095 -23.925 11.941 1.00 31.01 N ATOM 1655 CA ASP A 105 -8.419 -23.748 13.222 1.00 62.24 C ATOM 1656 C ASP A 105 -9.429 -23.530 14.344 1.00 70.03 C ATOM 1657 O ASP A 105 -10.630 -23.738 14.162 1.00 73.23 O ATOM 1658 CB ASP A 105 -7.452 -22.566 13.153 1.00 5.51 C ATOM 1659 CG ASP A 105 -6.959 -22.303 11.744 1.00 64.12 C ATOM 1660 OD1 ASP A 105 -6.593 -23.276 11.051 1.00 53.55 O ATOM 1661 OD2 ASP A 105 -6.938 -21.123 11.333 1.00 71.20 O ATOM 0 H ASP A 105 -9.128 -24.890 11.612 1.00 31.01 H new ATOM 0 HA ASP A 105 -7.856 -24.656 13.436 1.00 62.24 H new ATOM 0 HB2 ASP A 105 -7.947 -21.673 13.534 1.00 5.51 H new ATOM 0 HB3 ASP A 105 -6.599 -22.760 13.803 1.00 5.51 H new ATOM 1667 N LEU A 106 -8.937 -23.111 15.504 1.00 63.43 N ATOM 1668 CA LEU A 106 -9.796 -22.867 16.657 1.00 23.23 C ATOM 1669 C LEU A 106 -9.541 -21.480 17.241 1.00 51.14 C ATOM 1670 O LEU A 106 -9.220 -21.344 18.421 1.00 23.14 O ATOM 1671 CB LEU A 106 -9.563 -23.935 17.727 1.00 11.23 C ATOM 1672 CG LEU A 106 -9.730 -25.386 17.275 1.00 13.22 C ATOM 1673 CD1 LEU A 106 -9.234 -26.340 18.350 1.00 21.11 C ATOM 1674 CD2 LEU A 106 -11.184 -25.674 16.934 1.00 42.34 C ATOM 0 H LEU A 106 -7.947 -22.933 15.671 1.00 63.43 H new ATOM 0 HA LEU A 106 -10.833 -22.916 16.324 1.00 23.23 H new ATOM 0 HB2 LEU A 106 -8.554 -23.812 18.121 1.00 11.23 H new ATOM 0 HB3 LEU A 106 -10.252 -23.751 18.552 1.00 11.23 H new ATOM 0 HG LEU A 106 -9.130 -25.538 16.378 1.00 13.22 H new ATOM 0 HD11 LEU A 106 -9.361 -27.368 18.011 1.00 21.11 H new ATOM 0 HD12 LEU A 106 -8.179 -26.150 18.546 1.00 21.11 H new ATOM 0 HD13 LEU A 106 -9.806 -26.187 19.265 1.00 21.11 H new ATOM 0 HD21 LEU A 106 -11.284 -26.711 16.614 1.00 42.34 H new ATOM 0 HD22 LEU A 106 -11.805 -25.504 17.814 1.00 42.34 H new ATOM 0 HD23 LEU A 106 -11.507 -25.013 16.129 1.00 42.34 H new ATOM 1686 N GLN A 107 -9.691 -20.457 16.406 1.00 34.13 N ATOM 1687 CA GLN A 107 -9.478 -19.081 16.842 1.00 31.32 C ATOM 1688 C GLN A 107 -8.042 -18.875 17.313 1.00 33.11 C ATOM 1689 O GLN A 107 -7.235 -19.804 17.299 1.00 4.43 O ATOM 1690 CB GLN A 107 -10.453 -18.722 17.964 1.00 11.00 C ATOM 1691 CG GLN A 107 -11.775 -18.162 17.466 1.00 14.03 C ATOM 1692 CD GLN A 107 -12.972 -18.902 18.029 1.00 12.31 C ATOM 1693 OE1 GLN A 107 -13.318 -18.747 19.200 1.00 33.24 O ATOM 1694 NE2 GLN A 107 -13.613 -19.715 17.196 1.00 24.23 N ATOM 0 H GLN A 107 -9.958 -20.554 15.426 1.00 34.13 H new ATOM 0 HA GLN A 107 -9.659 -18.425 15.991 1.00 31.32 H new ATOM 0 HB2 GLN A 107 -10.648 -19.612 18.563 1.00 11.00 H new ATOM 0 HB3 GLN A 107 -9.983 -17.991 18.622 1.00 11.00 H new ATOM 0 HG2 GLN A 107 -11.844 -17.108 17.737 1.00 14.03 H new ATOM 0 HG3 GLN A 107 -11.800 -18.214 16.378 1.00 14.03 H new ATOM 0 HE21 GLN A 107 -13.293 -19.814 16.233 1.00 24.23 H new ATOM 0 HE22 GLN A 107 -14.425 -20.240 17.520 1.00 24.23 H new ATOM 1703 N GLU A 108 -7.732 -17.651 17.731 1.00 33.31 N ATOM 1704 CA GLU A 108 -6.392 -17.324 18.206 1.00 50.22 C ATOM 1705 C GLU A 108 -6.453 -16.344 19.374 1.00 71.43 C ATOM 1706 O GLU A 108 -6.368 -15.130 19.186 1.00 43.42 O ATOM 1707 CB GLU A 108 -5.555 -16.731 17.071 1.00 55.24 C ATOM 1708 CG GLU A 108 -4.077 -17.071 17.163 1.00 3.53 C ATOM 1709 CD GLU A 108 -3.301 -16.636 15.935 1.00 51.24 C ATOM 1710 OE1 GLU A 108 -2.249 -15.984 16.098 1.00 35.34 O ATOM 1711 OE2 GLU A 108 -3.747 -16.947 14.809 1.00 12.21 O ATOM 0 H GLU A 108 -8.389 -16.871 17.750 1.00 33.31 H new ATOM 0 HA GLU A 108 -5.922 -18.245 18.551 1.00 50.22 H new ATOM 0 HB2 GLU A 108 -5.943 -17.091 16.118 1.00 55.24 H new ATOM 0 HB3 GLU A 108 -5.671 -15.647 17.073 1.00 55.24 H new ATOM 0 HG2 GLU A 108 -3.652 -16.592 18.045 1.00 3.53 H new ATOM 0 HG3 GLU A 108 -3.963 -18.147 17.298 1.00 3.53 H new ATOM 1719 N VAL A 109 -6.601 -16.880 20.582 1.00 54.40 N ATOM 1720 CA VAL A 109 -6.674 -16.054 21.781 1.00 2.35 C ATOM 1721 C VAL A 109 -5.348 -15.345 22.041 1.00 51.45 C ATOM 1722 O VAL A 109 -4.276 -15.831 21.685 1.00 71.23 O ATOM 1723 CB VAL A 109 -7.047 -16.893 23.018 1.00 13.14 C ATOM 1724 CG1 VAL A 109 -8.453 -17.453 22.880 1.00 65.22 C ATOM 1725 CG2 VAL A 109 -6.036 -18.009 23.228 1.00 11.03 C ATOM 0 H VAL A 109 -6.673 -17.883 20.756 1.00 54.40 H new ATOM 0 HA VAL A 109 -7.452 -15.311 21.608 1.00 2.35 H new ATOM 0 HB VAL A 109 -7.026 -16.246 23.895 1.00 13.14 H new ATOM 0 HG11 VAL A 109 -8.698 -18.043 23.763 1.00 65.22 H new ATOM 0 HG12 VAL A 109 -9.164 -16.632 22.783 1.00 65.22 H new ATOM 0 HG13 VAL A 109 -8.507 -18.086 21.995 1.00 65.22 H new ATOM 0 HG21 VAL A 109 -6.315 -18.592 24.106 1.00 11.03 H new ATOM 0 HG22 VAL A 109 -6.022 -18.657 22.352 1.00 11.03 H new ATOM 0 HG23 VAL A 109 -5.045 -17.579 23.377 1.00 11.03 H new ATOM 1735 N PRO A 110 -5.424 -14.167 22.678 1.00 25.25 N ATOM 1736 CA PRO A 110 -4.239 -13.366 23.001 1.00 14.03 C ATOM 1737 C PRO A 110 -3.382 -14.010 24.085 1.00 35.04 C ATOM 1738 O PRO A 110 -3.621 -15.150 24.485 1.00 51.42 O ATOM 1739 CB PRO A 110 -4.829 -12.045 23.499 1.00 42.22 C ATOM 1740 CG PRO A 110 -6.185 -12.402 24.004 1.00 20.51 C ATOM 1741 CD PRO A 110 -6.669 -13.527 23.132 1.00 45.35 C ATOM 0 HA PRO A 110 -3.575 -13.255 22.143 1.00 14.03 H new ATOM 0 HB2 PRO A 110 -4.215 -11.609 24.287 1.00 42.22 H new ATOM 0 HB3 PRO A 110 -4.886 -11.310 22.697 1.00 42.22 H new ATOM 0 HG2 PRO A 110 -6.144 -12.708 25.049 1.00 20.51 H new ATOM 0 HG3 PRO A 110 -6.859 -11.547 23.949 1.00 20.51 H new ATOM 0 HD2 PRO A 110 -7.299 -14.222 23.686 1.00 45.35 H new ATOM 0 HD3 PRO A 110 -7.261 -13.159 22.294 1.00 45.35 H new ATOM 1749 N SER A 111 -2.384 -13.273 24.560 1.00 2.24 N ATOM 1750 CA SER A 111 -1.489 -13.772 25.598 1.00 72.24 C ATOM 1751 C SER A 111 -1.062 -12.648 26.536 1.00 11.45 C ATOM 1752 O SER A 111 0.127 -12.436 26.769 1.00 44.32 O ATOM 1753 CB SER A 111 -0.255 -14.422 24.967 1.00 2.55 C ATOM 1754 OG SER A 111 -0.613 -15.554 24.194 1.00 15.20 O ATOM 0 H SER A 111 -2.174 -12.327 24.242 1.00 2.24 H new ATOM 0 HA SER A 111 -2.029 -14.520 26.179 1.00 72.24 H new ATOM 0 HB2 SER A 111 0.260 -13.696 24.338 1.00 2.55 H new ATOM 0 HB3 SER A 111 0.444 -14.718 25.749 1.00 2.55 H new ATOM 0 HG SER A 111 0.193 -15.950 23.801 1.00 15.20 H new ATOM 1760 N GLY A 112 -2.044 -11.929 27.074 1.00 64.34 N ATOM 1761 CA GLY A 112 -1.751 -10.835 27.980 1.00 60.32 C ATOM 1762 C GLY A 112 -2.983 -10.020 28.322 1.00 15.31 C ATOM 1763 O GLY A 112 -3.219 -8.948 27.765 1.00 51.34 O ATOM 0 H GLY A 112 -3.036 -12.086 26.898 1.00 64.34 H new ATOM 0 HA2 GLY A 112 -1.316 -11.233 28.897 1.00 60.32 H new ATOM 0 HA3 GLY A 112 -1.002 -10.184 27.529 1.00 60.32 H new ATOM 1767 N PRO A 113 -3.793 -10.532 29.260 1.00 51.24 N ATOM 1768 CA PRO A 113 -5.022 -9.863 29.696 1.00 13.35 C ATOM 1769 C PRO A 113 -4.739 -8.595 30.495 1.00 0.14 C ATOM 1770 O PRO A 113 -4.177 -8.652 31.589 1.00 15.15 O ATOM 1771 CB PRO A 113 -5.703 -10.910 30.581 1.00 61.41 C ATOM 1772 CG PRO A 113 -4.591 -11.770 31.073 1.00 73.41 C ATOM 1773 CD PRO A 113 -3.574 -11.805 29.966 1.00 74.15 C ATOM 0 HA PRO A 113 -5.630 -9.539 28.851 1.00 13.35 H new ATOM 0 HB2 PRO A 113 -6.238 -10.442 31.408 1.00 61.41 H new ATOM 0 HB3 PRO A 113 -6.433 -11.491 30.017 1.00 61.41 H new ATOM 0 HG2 PRO A 113 -4.159 -11.364 31.987 1.00 73.41 H new ATOM 0 HG3 PRO A 113 -4.948 -12.773 31.307 1.00 73.41 H new ATOM 0 HD2 PRO A 113 -2.559 -11.879 30.356 1.00 74.15 H new ATOM 0 HD3 PRO A 113 -3.726 -12.661 29.308 1.00 74.15 H new ATOM 1781 N SER A 114 -5.131 -7.452 29.941 1.00 2.34 N ATOM 1782 CA SER A 114 -4.914 -6.169 30.601 1.00 42.40 C ATOM 1783 C SER A 114 -5.277 -6.252 32.081 1.00 53.41 C ATOM 1784 O SER A 114 -4.451 -6.628 32.913 1.00 13.12 O ATOM 1785 CB SER A 114 -5.744 -5.076 29.922 1.00 25.52 C ATOM 1786 OG SER A 114 -7.030 -5.556 29.571 1.00 34.30 O ATOM 0 H SER A 114 -5.600 -7.388 29.038 1.00 2.34 H new ATOM 0 HA SER A 114 -3.857 -5.919 30.517 1.00 42.40 H new ATOM 0 HB2 SER A 114 -5.842 -4.221 30.591 1.00 25.52 H new ATOM 0 HB3 SER A 114 -5.227 -4.725 29.029 1.00 25.52 H new ATOM 0 HG SER A 114 -7.541 -4.839 29.141 1.00 34.30 H new ATOM 1792 N SER A 115 -6.517 -5.898 32.400 1.00 74.21 N ATOM 1793 CA SER A 115 -6.989 -5.929 33.780 1.00 52.52 C ATOM 1794 C SER A 115 -6.765 -7.304 34.401 1.00 24.04 C ATOM 1795 O SER A 115 -6.290 -8.226 33.740 1.00 23.22 O ATOM 1796 CB SER A 115 -8.475 -5.564 33.841 1.00 32.31 C ATOM 1797 OG SER A 115 -9.237 -6.387 32.975 1.00 2.21 O ATOM 0 H SER A 115 -7.213 -5.586 31.723 1.00 74.21 H new ATOM 0 HA SER A 115 -6.418 -5.196 34.350 1.00 52.52 H new ATOM 0 HB2 SER A 115 -8.838 -5.672 34.863 1.00 32.31 H new ATOM 0 HB3 SER A 115 -8.608 -4.518 33.564 1.00 32.31 H new ATOM 0 HG SER A 115 -10.182 -6.136 33.033 1.00 2.21 H new ATOM 1803 N GLY A 116 -7.110 -7.432 35.678 1.00 12.04 N ATOM 1804 CA GLY A 116 -6.939 -8.697 36.369 1.00 20.34 C ATOM 1805 C GLY A 116 -5.480 -9.078 36.529 1.00 54.11 C ATOM 1806 O GLY A 116 -4.709 -8.356 37.163 1.00 44.24 O ATOM 0 H GLY A 116 -7.505 -6.683 36.247 1.00 12.04 H new ATOM 0 HA2 GLY A 116 -7.405 -8.636 37.352 1.00 20.34 H new ATOM 0 HA3 GLY A 116 -7.458 -9.481 35.818 1.00 20.34 H new TER 1810 GLY A 116