USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 946 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 63 LYS NZ :NH3+ 177:sc= 1.02 (180deg=0) USER MOD Set 1.2: A 65 THR OG1 : rot 170:sc= 0.877 USER MOD Set 2.1: A 37 THR OG1 : rot 150:sc= 0.135 USER MOD Set 2.2: A 69 THR OG1 : rot 25:sc= 0.131 USER MOD Set 3.1: A 19 GLN : amide:sc= 3.08 K(o=4.5,f=-11!) USER MOD Set 3.2: A 28 LYS NZ :NH3+ 179:sc= 2.15 (180deg=1.19) USER MOD Set 3.3: A 93 MET CE :methyl -173:sc= -0.754 (180deg=-0.94) USER MOD Set 4.1: A 12 MET CE :methyl 150:sc= -0.0664 (180deg=-0.832) USER MOD Set 4.2: A 68 THR OG1 : rot 125:sc= 0.85 USER MOD Single : A 1 GLY N :NH3+ -166:sc= -0.721 (180deg=-0.947) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 165:sc= 1.17 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=-0.000267 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.67) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -90:sc= 0.0609 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 42:sc= 0.0898 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot -152:sc= 1.25 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.65) USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= 1.07 (180deg=0.368) USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0823) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -179:sc= -0.0142 USER MOD Single : A 125 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 137:sc= 0.266 USER MOD Single : A 129 ASN : amide:sc=-0.00318 X(o=-0.0032,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.783 2.656 11.234 1.00 0.00 N ATOM 2 CA GLY A 1 35.972 1.664 11.963 1.00 0.00 C ATOM 3 C GLY A 1 35.428 2.334 13.209 1.00 0.00 C ATOM 4 O GLY A 1 36.229 2.736 14.054 1.00 0.00 O ATOM 0 H1 GLY A 1 36.972 2.310 10.271 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.266 3.557 11.183 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.684 2.802 11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.156 1.303 11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.577 0.797 12.229 1.00 0.00 H new ATOM 8 N ASP A 2 34.095 2.468 13.296 1.00 0.00 N ATOM 9 CA ASP A 2 33.474 3.795 13.218 1.00 0.00 C ATOM 10 C ASP A 2 33.854 4.330 11.832 1.00 0.00 C ATOM 11 O ASP A 2 34.997 4.729 11.616 1.00 0.00 O ATOM 12 CB ASP A 2 33.813 4.708 14.425 1.00 0.00 C ATOM 13 CG ASP A 2 32.840 5.894 14.567 1.00 0.00 C ATOM 14 OD1 ASP A 2 32.254 6.299 13.544 1.00 0.00 O ATOM 15 OD2 ASP A 2 32.643 6.386 15.708 1.00 0.00 O ATOM 0 H ASP A 2 33.442 1.694 13.417 1.00 0.00 H new ATOM 0 HA ASP A 2 32.388 3.755 13.306 1.00 0.00 H new ATOM 0 HB2 ASP A 2 33.793 4.116 15.340 1.00 0.00 H new ATOM 0 HB3 ASP A 2 34.828 5.088 14.314 1.00 0.00 H new ATOM 20 N ASP A 3 33.000 4.047 10.845 1.00 0.00 N ATOM 21 CA ASP A 3 33.191 4.212 9.404 1.00 0.00 C ATOM 22 C ASP A 3 31.785 4.461 8.873 1.00 0.00 C ATOM 23 O ASP A 3 30.979 3.528 8.920 1.00 0.00 O ATOM 24 CB ASP A 3 33.698 2.915 8.730 1.00 0.00 C ATOM 25 CG ASP A 3 35.199 2.636 8.839 1.00 0.00 C ATOM 26 OD1 ASP A 3 36.029 3.563 8.751 1.00 0.00 O ATOM 27 OD2 ASP A 3 35.558 1.453 9.088 1.00 0.00 O ATOM 0 H ASP A 3 32.078 3.664 11.053 1.00 0.00 H new ATOM 0 HA ASP A 3 33.917 5.000 9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 3 33.161 2.072 9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 3 33.433 2.952 7.673 1.00 0.00 H new ATOM 32 N ASP A 4 31.458 5.648 8.364 1.00 0.00 N ATOM 33 CA ASP A 4 30.203 5.882 7.654 1.00 0.00 C ATOM 34 C ASP A 4 30.373 7.115 6.780 1.00 0.00 C ATOM 35 O ASP A 4 30.726 8.189 7.257 1.00 0.00 O ATOM 36 CB ASP A 4 29.002 6.068 8.600 1.00 0.00 C ATOM 37 CG ASP A 4 28.203 4.787 8.822 1.00 0.00 C ATOM 38 OD1 ASP A 4 27.833 4.081 7.847 1.00 0.00 O ATOM 39 OD2 ASP A 4 27.805 4.505 9.969 1.00 0.00 O ATOM 0 H ASP A 4 32.055 6.472 8.432 1.00 0.00 H new ATOM 0 HA ASP A 4 29.984 5.000 7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 4 29.360 6.436 9.562 1.00 0.00 H new ATOM 0 HB3 ASP A 4 28.342 6.833 8.192 1.00 0.00 H new ATOM 44 N GLU A 5 30.102 6.975 5.489 1.00 0.00 N ATOM 45 CA GLU A 5 30.184 8.003 4.451 1.00 0.00 C ATOM 46 C GLU A 5 29.189 7.589 3.346 1.00 0.00 C ATOM 47 O GLU A 5 29.525 6.800 2.447 1.00 0.00 O ATOM 48 CB GLU A 5 31.629 8.185 3.932 1.00 0.00 C ATOM 49 CG GLU A 5 31.797 9.153 2.732 1.00 0.00 C ATOM 50 CD GLU A 5 31.227 10.564 2.950 1.00 0.00 C ATOM 51 OE1 GLU A 5 30.000 10.675 3.205 1.00 0.00 O ATOM 52 OE2 GLU A 5 31.995 11.535 2.775 1.00 0.00 O ATOM 0 H GLU A 5 29.797 6.079 5.110 1.00 0.00 H new ATOM 0 HA GLU A 5 29.915 8.983 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 5 32.248 8.544 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 5 32.017 7.208 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 5 32.858 9.238 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 5 31.314 8.713 1.860 1.00 0.00 H new ATOM 59 N PRO A 6 27.905 7.953 3.481 1.00 0.00 N ATOM 60 CA PRO A 6 26.888 7.659 2.490 1.00 0.00 C ATOM 61 C PRO A 6 26.953 8.680 1.350 1.00 0.00 C ATOM 62 O PRO A 6 27.661 9.683 1.397 1.00 0.00 O ATOM 63 CB PRO A 6 25.575 7.748 3.267 1.00 0.00 C ATOM 64 CG PRO A 6 25.862 8.912 4.212 1.00 0.00 C ATOM 65 CD PRO A 6 27.323 8.688 4.601 1.00 0.00 C ATOM 0 HA PRO A 6 27.009 6.683 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 6 24.725 7.948 2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 6 25.353 6.827 3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 6 25.718 9.875 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 6 25.206 8.896 5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 6 27.838 9.635 4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 6 27.402 8.121 5.529 1.00 0.00 H new ATOM 73 N GLY A 7 26.123 8.476 0.336 1.00 0.00 N ATOM 74 CA GLY A 7 25.796 9.488 -0.643 1.00 0.00 C ATOM 75 C GLY A 7 24.424 9.161 -1.196 1.00 0.00 C ATOM 76 O GLY A 7 23.469 8.952 -0.433 1.00 0.00 O ATOM 0 H GLY A 7 25.653 7.585 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.799 10.478 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.538 9.503 -1.442 1.00 0.00 H new ATOM 80 N GLY A 8 24.318 9.090 -2.521 1.00 0.00 N ATOM 81 CA GLY A 8 23.065 8.902 -3.229 1.00 0.00 C ATOM 82 C GLY A 8 22.885 7.520 -3.826 1.00 0.00 C ATOM 83 O GLY A 8 22.160 7.390 -4.814 1.00 0.00 O ATOM 0 H GLY A 8 25.124 9.164 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 8 22.241 9.098 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 8 22.998 9.641 -4.027 1.00 0.00 H new ATOM 87 N LYS A 9 23.493 6.480 -3.245 1.00 0.00 N ATOM 88 CA LYS A 9 23.231 5.112 -3.647 1.00 0.00 C ATOM 89 C LYS A 9 22.437 4.394 -2.569 1.00 0.00 C ATOM 90 O LYS A 9 22.978 3.712 -1.703 1.00 0.00 O ATOM 91 CB LYS A 9 24.505 4.392 -4.093 1.00 0.00 C ATOM 92 CG LYS A 9 25.671 4.235 -3.105 1.00 0.00 C ATOM 93 CD LYS A 9 26.862 3.549 -3.784 1.00 0.00 C ATOM 94 CE LYS A 9 27.920 3.147 -2.753 1.00 0.00 C ATOM 95 NZ LYS A 9 27.634 1.829 -2.150 1.00 0.00 N ATOM 0 H LYS A 9 24.173 6.571 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 9 22.602 5.112 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.218 3.393 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 9 24.887 4.917 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.972 5.213 -2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.349 3.650 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.519 2.666 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.303 4.221 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.900 3.122 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.967 3.902 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.375 1.596 -1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.711 1.859 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.615 1.103 -2.895 1.00 0.00 H new ATOM 109 N GLY A 10 21.125 4.407 -2.735 1.00 0.00 N ATOM 110 CA GLY A 10 20.223 3.417 -2.183 1.00 0.00 C ATOM 111 C GLY A 10 19.197 3.963 -1.218 1.00 0.00 C ATOM 112 O GLY A 10 19.540 4.612 -0.225 1.00 0.00 O ATOM 0 H GLY A 10 20.647 5.129 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 10 19.703 2.923 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.811 2.654 -1.673 1.00 0.00 H new ATOM 116 N ALA A 11 17.948 3.577 -1.473 1.00 0.00 N ATOM 117 CA ALA A 11 16.851 3.662 -0.537 1.00 0.00 C ATOM 118 C ALA A 11 16.237 2.268 -0.420 1.00 0.00 C ATOM 119 O ALA A 11 15.824 1.670 -1.412 1.00 0.00 O ATOM 120 CB ALA A 11 15.829 4.700 -1.013 1.00 0.00 C ATOM 0 H ALA A 11 17.672 3.183 -2.373 1.00 0.00 H new ATOM 0 HA ALA A 11 17.195 3.989 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.007 4.755 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.309 5.675 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.443 4.409 -1.990 1.00 0.00 H new ATOM 126 N MET A 12 16.203 1.741 0.797 1.00 0.00 N ATOM 127 CA MET A 12 15.115 0.881 1.241 1.00 0.00 C ATOM 128 C MET A 12 13.896 1.732 1.526 1.00 0.00 C ATOM 129 O MET A 12 13.954 2.969 1.517 1.00 0.00 O ATOM 130 CB MET A 12 15.493 0.088 2.503 1.00 0.00 C ATOM 131 CG MET A 12 16.742 -0.697 2.175 1.00 0.00 C ATOM 132 SD MET A 12 17.182 -2.141 3.159 1.00 0.00 S ATOM 133 CE MET A 12 15.712 -3.156 2.856 1.00 0.00 C ATOM 0 H MET A 12 16.925 1.897 1.501 1.00 0.00 H new ATOM 0 HA MET A 12 14.904 0.164 0.448 1.00 0.00 H new ATOM 0 HB2 MET A 12 15.670 0.761 3.342 1.00 0.00 H new ATOM 0 HB3 MET A 12 14.683 -0.580 2.795 1.00 0.00 H new ATOM 0 HG2 MET A 12 16.656 -1.024 1.139 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.582 -0.004 2.222 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.982 -4.211 2.902 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.959 -2.941 3.614 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.309 -2.927 1.869 1.00 0.00 H new ATOM 143 N TYR A 13 12.813 1.042 1.838 1.00 0.00 N ATOM 144 CA TYR A 13 11.515 1.603 2.119 1.00 0.00 C ATOM 145 C TYR A 13 10.589 0.553 2.734 1.00 0.00 C ATOM 146 O TYR A 13 10.943 -0.629 2.792 1.00 0.00 O ATOM 147 CB TYR A 13 10.963 2.175 0.813 1.00 0.00 C ATOM 148 CG TYR A 13 11.130 1.335 -0.436 1.00 0.00 C ATOM 149 CD1 TYR A 13 10.508 0.078 -0.498 1.00 0.00 C ATOM 150 CD2 TYR A 13 11.847 1.831 -1.546 1.00 0.00 C ATOM 151 CE1 TYR A 13 10.557 -0.669 -1.675 1.00 0.00 C ATOM 152 CE2 TYR A 13 11.923 1.071 -2.726 1.00 0.00 C ATOM 153 CZ TYR A 13 11.271 -0.186 -2.786 1.00 0.00 C ATOM 154 OH TYR A 13 11.249 -0.917 -3.928 1.00 0.00 O ATOM 0 H TYR A 13 12.822 0.024 1.904 1.00 0.00 H new ATOM 0 HA TYR A 13 11.591 2.402 2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.899 2.367 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.440 3.139 0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.991 -0.311 0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.336 2.792 -1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.046 -1.619 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.473 1.441 -3.579 1.00 0.00 H new ATOM 0 HH TYR A 13 11.570 -0.368 -4.674 1.00 0.00 H new ATOM 164 N GLU A 14 9.419 0.989 3.205 1.00 0.00 N ATOM 165 CA GLU A 14 8.400 0.148 3.817 1.00 0.00 C ATOM 166 C GLU A 14 7.068 0.927 3.778 1.00 0.00 C ATOM 167 O GLU A 14 6.889 1.895 4.513 1.00 0.00 O ATOM 168 CB GLU A 14 8.807 -0.177 5.263 1.00 0.00 C ATOM 169 CG GLU A 14 7.721 -0.881 6.094 1.00 0.00 C ATOM 170 CD GLU A 14 8.184 -1.102 7.547 1.00 0.00 C ATOM 171 OE1 GLU A 14 8.949 -0.262 8.088 1.00 0.00 O ATOM 172 OE2 GLU A 14 7.843 -2.134 8.166 1.00 0.00 O ATOM 0 H GLU A 14 9.150 1.972 3.167 1.00 0.00 H new ATOM 0 HA GLU A 14 8.290 -0.795 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.696 -0.808 5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.085 0.750 5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.810 -0.283 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.476 -1.840 5.638 1.00 0.00 H new ATOM 179 N VAL A 15 6.130 0.572 2.913 1.00 0.00 N ATOM 180 CA VAL A 15 4.748 1.040 2.968 1.00 0.00 C ATOM 181 C VAL A 15 3.975 0.222 4.000 1.00 0.00 C ATOM 182 O VAL A 15 4.293 -0.932 4.310 1.00 0.00 O ATOM 183 CB VAL A 15 4.140 0.945 1.552 1.00 0.00 C ATOM 184 CG1 VAL A 15 3.955 -0.501 1.060 1.00 0.00 C ATOM 185 CG2 VAL A 15 2.792 1.653 1.401 1.00 0.00 C ATOM 0 H VAL A 15 6.309 -0.063 2.135 1.00 0.00 H new ATOM 0 HA VAL A 15 4.695 2.082 3.285 1.00 0.00 H new ATOM 0 HB VAL A 15 4.885 1.455 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.524 -0.492 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.922 -1.003 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.288 -1.033 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.434 1.539 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.071 1.213 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.910 2.713 1.628 1.00 0.00 H new ATOM 195 N THR A 16 2.883 0.808 4.462 1.00 0.00 N ATOM 196 CA THR A 16 1.869 0.154 5.259 1.00 0.00 C ATOM 197 C THR A 16 0.523 0.422 4.621 1.00 0.00 C ATOM 198 O THR A 16 0.361 1.377 3.856 1.00 0.00 O ATOM 199 CB THR A 16 1.947 0.674 6.705 1.00 0.00 C ATOM 200 OG1 THR A 16 2.263 2.056 6.740 1.00 0.00 O ATOM 201 CG2 THR A 16 3.011 -0.065 7.510 1.00 0.00 C ATOM 0 H THR A 16 2.674 1.790 4.283 1.00 0.00 H new ATOM 0 HA THR A 16 2.022 -0.925 5.296 1.00 0.00 H new ATOM 0 HB THR A 16 0.964 0.502 7.143 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.304 2.359 7.671 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.037 0.329 8.526 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.772 -1.128 7.539 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.985 0.075 7.041 1.00 0.00 H new ATOM 209 N ILE A 17 -0.431 -0.436 4.953 1.00 0.00 N ATOM 210 CA ILE A 17 -1.808 -0.272 4.579 1.00 0.00 C ATOM 211 C ILE A 17 -2.640 -0.614 5.799 1.00 0.00 C ATOM 212 O ILE A 17 -2.828 -1.789 6.099 1.00 0.00 O ATOM 213 CB ILE A 17 -2.125 -1.085 3.307 1.00 0.00 C ATOM 214 CG1 ILE A 17 -3.640 -1.130 3.026 1.00 0.00 C ATOM 215 CG2 ILE A 17 -1.607 -2.524 3.288 1.00 0.00 C ATOM 216 CD1 ILE A 17 -4.246 0.249 2.822 1.00 0.00 C ATOM 0 H ILE A 17 -0.255 -1.278 5.501 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.049 0.752 4.295 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.586 -0.540 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.822 -1.736 2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.144 -1.623 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.887 -2.999 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.521 -2.521 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.043 -3.079 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.314 0.152 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.093 0.850 3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.766 0.735 1.973 1.00 0.00 H new ATOM 228 N GLU A 18 -3.075 0.393 6.551 1.00 0.00 N ATOM 229 CA GLU A 18 -4.141 0.190 7.522 1.00 0.00 C ATOM 230 C GLU A 18 -5.452 0.083 6.751 1.00 0.00 C ATOM 231 O GLU A 18 -5.657 0.781 5.751 1.00 0.00 O ATOM 232 CB GLU A 18 -4.266 1.362 8.502 1.00 0.00 C ATOM 233 CG GLU A 18 -2.986 1.670 9.283 1.00 0.00 C ATOM 234 CD GLU A 18 -3.213 2.784 10.307 1.00 0.00 C ATOM 235 OE1 GLU A 18 -3.988 2.550 11.267 1.00 0.00 O ATOM 236 OE2 GLU A 18 -2.618 3.874 10.141 1.00 0.00 O ATOM 0 H GLU A 18 -2.711 1.345 6.507 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.915 -0.708 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.563 2.253 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.066 1.145 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.643 0.770 9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.197 1.965 8.591 1.00 0.00 H new ATOM 243 N GLN A 19 -6.375 -0.720 7.265 1.00 0.00 N ATOM 244 CA GLN A 19 -7.774 -0.657 6.901 1.00 0.00 C ATOM 245 C GLN A 19 -8.532 -0.312 8.180 1.00 0.00 C ATOM 246 O GLN A 19 -8.101 -0.662 9.281 1.00 0.00 O ATOM 247 CB GLN A 19 -8.214 -1.982 6.253 1.00 0.00 C ATOM 248 CG GLN A 19 -7.349 -2.346 5.032 1.00 0.00 C ATOM 249 CD GLN A 19 -8.021 -3.333 4.071 1.00 0.00 C ATOM 250 OE1 GLN A 19 -8.672 -2.929 3.101 1.00 0.00 O ATOM 251 NE2 GLN A 19 -7.864 -4.622 4.301 1.00 0.00 N ATOM 0 H GLN A 19 -6.164 -1.441 7.955 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.981 0.105 6.150 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.155 -2.783 6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.258 -1.907 5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.103 -1.434 4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.409 -2.774 5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.323 -4.934 5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.284 -5.307 3.673 1.00 0.00 H new ATOM 260 N SER A 20 -9.661 0.374 8.064 1.00 0.00 N ATOM 261 CA SER A 20 -10.568 0.675 9.170 1.00 0.00 C ATOM 262 C SER A 20 -11.995 0.542 8.643 1.00 0.00 C ATOM 263 O SER A 20 -12.196 0.587 7.428 1.00 0.00 O ATOM 264 CB SER A 20 -10.324 2.084 9.757 1.00 0.00 C ATOM 265 OG SER A 20 -9.102 2.689 9.347 1.00 0.00 O ATOM 0 H SER A 20 -9.983 0.749 7.172 1.00 0.00 H new ATOM 0 HA SER A 20 -10.391 -0.025 9.987 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.151 2.733 9.468 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.335 2.018 10.845 1.00 0.00 H new ATOM 0 HG SER A 20 -9.022 3.575 9.757 1.00 0.00 H new ATOM 271 N GLY A 21 -12.986 0.425 9.527 1.00 0.00 N ATOM 272 CA GLY A 21 -14.365 0.163 9.142 1.00 0.00 C ATOM 273 C GLY A 21 -14.494 -1.180 8.416 1.00 0.00 C ATOM 274 O GLY A 21 -13.717 -2.107 8.686 1.00 0.00 O ATOM 0 H GLY A 21 -12.850 0.510 10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -14.999 0.162 10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.723 0.964 8.496 1.00 0.00 H new ATOM 278 N ASP A 22 -15.511 -1.312 7.565 1.00 0.00 N ATOM 279 CA ASP A 22 -15.926 -2.565 6.951 1.00 0.00 C ATOM 280 C ASP A 22 -15.082 -2.841 5.717 1.00 0.00 C ATOM 281 O ASP A 22 -15.482 -2.615 4.575 1.00 0.00 O ATOM 282 CB ASP A 22 -17.416 -2.560 6.601 1.00 0.00 C ATOM 283 CG ASP A 22 -17.870 -4.000 6.358 1.00 0.00 C ATOM 284 OD1 ASP A 22 -17.053 -4.880 5.992 1.00 0.00 O ATOM 285 OD2 ASP A 22 -19.023 -4.300 6.745 1.00 0.00 O ATOM 0 H ASP A 22 -16.086 -0.520 7.277 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.770 -3.364 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.993 -2.114 7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.593 -1.953 5.713 1.00 0.00 H new ATOM 290 N PHE A 23 -13.856 -3.291 5.951 1.00 0.00 N ATOM 291 CA PHE A 23 -12.917 -3.500 4.873 1.00 0.00 C ATOM 292 C PHE A 23 -13.204 -4.752 4.040 1.00 0.00 C ATOM 293 O PHE A 23 -12.312 -5.130 3.287 1.00 0.00 O ATOM 294 CB PHE A 23 -11.487 -3.431 5.420 1.00 0.00 C ATOM 295 CG PHE A 23 -11.097 -4.459 6.462 1.00 0.00 C ATOM 296 CD1 PHE A 23 -10.785 -5.780 6.086 1.00 0.00 C ATOM 297 CD2 PHE A 23 -10.984 -4.077 7.813 1.00 0.00 C ATOM 298 CE1 PHE A 23 -10.385 -6.714 7.054 1.00 0.00 C ATOM 299 CE2 PHE A 23 -10.558 -5.005 8.778 1.00 0.00 C ATOM 300 CZ PHE A 23 -10.263 -6.327 8.399 1.00 0.00 C ATOM 0 H PHE A 23 -13.495 -3.516 6.878 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.040 -2.691 4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.799 -3.523 4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.336 -2.440 5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.854 -6.075 5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.226 -3.067 8.108 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.171 -7.732 6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.457 -4.703 9.810 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.943 -7.044 9.141 1.00 0.00 H new ATOM 310 N ARG A 24 -14.369 -5.410 4.143 1.00 0.00 N ATOM 311 CA ARG A 24 -14.560 -6.766 3.619 1.00 0.00 C ATOM 312 C ARG A 24 -15.404 -6.848 2.342 1.00 0.00 C ATOM 313 O ARG A 24 -15.658 -7.973 1.904 1.00 0.00 O ATOM 314 CB ARG A 24 -15.126 -7.667 4.727 1.00 0.00 C ATOM 315 CG ARG A 24 -14.270 -7.613 6.002 1.00 0.00 C ATOM 316 CD ARG A 24 -14.646 -8.751 6.946 1.00 0.00 C ATOM 317 NE ARG A 24 -13.872 -8.685 8.197 1.00 0.00 N ATOM 318 CZ ARG A 24 -13.035 -9.609 8.682 1.00 0.00 C ATOM 319 NH1 ARG A 24 -12.750 -10.718 8.015 1.00 0.00 N ATOM 320 NH2 ARG A 24 -12.453 -9.407 9.856 1.00 0.00 N ATOM 0 H ARG A 24 -15.198 -5.018 4.589 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.576 -7.121 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -16.145 -7.359 4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -15.178 -8.695 4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.214 -7.683 5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.412 -6.655 6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.711 -8.702 7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.467 -9.708 6.455 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.987 -7.840 8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.173 -10.887 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.107 -11.402 8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.645 -8.553 10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.813 -10.105 10.235 1.00 0.00 H new ATOM 334 N SER A 25 -15.809 -5.726 1.740 1.00 0.00 N ATOM 335 CA SER A 25 -16.543 -5.715 0.473 1.00 0.00 C ATOM 336 C SER A 25 -16.154 -4.514 -0.407 1.00 0.00 C ATOM 337 O SER A 25 -17.020 -3.737 -0.806 1.00 0.00 O ATOM 338 CB SER A 25 -18.053 -5.769 0.766 1.00 0.00 C ATOM 339 OG SER A 25 -18.378 -6.952 1.486 1.00 0.00 O ATOM 0 H SER A 25 -15.636 -4.796 2.120 1.00 0.00 H new ATOM 0 HA SER A 25 -16.271 -6.598 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.349 -4.892 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.612 -5.740 -0.169 1.00 0.00 H new ATOM 0 HG SER A 25 -19.341 -6.971 1.666 1.00 0.00 H new ATOM 345 N PHE A 26 -14.856 -4.323 -0.688 1.00 0.00 N ATOM 346 CA PHE A 26 -14.350 -3.274 -1.582 1.00 0.00 C ATOM 347 C PHE A 26 -13.289 -3.858 -2.515 1.00 0.00 C ATOM 348 O PHE A 26 -12.413 -4.603 -2.065 1.00 0.00 O ATOM 349 CB PHE A 26 -13.813 -2.075 -0.779 1.00 0.00 C ATOM 350 CG PHE A 26 -14.929 -1.297 -0.105 1.00 0.00 C ATOM 351 CD1 PHE A 26 -15.482 -1.759 1.106 1.00 0.00 C ATOM 352 CD2 PHE A 26 -15.500 -0.188 -0.757 1.00 0.00 C ATOM 353 CE1 PHE A 26 -16.664 -1.189 1.603 1.00 0.00 C ATOM 354 CE2 PHE A 26 -16.672 0.399 -0.247 1.00 0.00 C ATOM 355 CZ PHE A 26 -17.280 -0.141 0.901 1.00 0.00 C ATOM 0 H PHE A 26 -14.117 -4.904 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.171 -2.900 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.111 -2.429 -0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.259 -1.412 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.995 -2.553 1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.039 0.212 -1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.098 -1.555 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.103 1.261 -0.735 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.225 0.253 1.244 1.00 0.00 H new ATOM 365 N ILE A 27 -13.321 -3.493 -3.801 1.00 0.00 N ATOM 366 CA ILE A 27 -12.429 -4.019 -4.837 1.00 0.00 C ATOM 367 C ILE A 27 -11.066 -3.327 -4.714 1.00 0.00 C ATOM 368 O ILE A 27 -10.868 -2.239 -5.246 1.00 0.00 O ATOM 369 CB ILE A 27 -13.059 -3.825 -6.241 1.00 0.00 C ATOM 370 CG1 ILE A 27 -14.518 -4.318 -6.366 1.00 0.00 C ATOM 371 CG2 ILE A 27 -12.193 -4.470 -7.340 1.00 0.00 C ATOM 372 CD1 ILE A 27 -14.720 -5.780 -5.962 1.00 0.00 C ATOM 0 H ILE A 27 -13.985 -2.806 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.284 -5.091 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.089 -2.744 -6.380 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.157 -3.689 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.847 -4.188 -7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.663 -4.316 -8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.204 -4.012 -7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.099 -5.539 -7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.770 -6.048 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.109 -6.421 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.424 -5.914 -4.921 1.00 0.00 H new ATOM 384 N LYS A 28 -10.117 -3.923 -3.984 1.00 0.00 N ATOM 385 CA LYS A 28 -8.807 -3.314 -3.746 1.00 0.00 C ATOM 386 C LYS A 28 -7.848 -3.739 -4.850 1.00 0.00 C ATOM 387 O LYS A 28 -7.925 -4.887 -5.315 1.00 0.00 O ATOM 388 CB LYS A 28 -8.238 -3.799 -2.408 1.00 0.00 C ATOM 389 CG LYS A 28 -9.138 -3.561 -1.185 1.00 0.00 C ATOM 390 CD LYS A 28 -8.723 -4.469 -0.016 1.00 0.00 C ATOM 391 CE LYS A 28 -9.922 -5.011 0.757 1.00 0.00 C ATOM 392 NZ LYS A 28 -10.735 -3.963 1.393 1.00 0.00 N ATOM 0 H LYS A 28 -10.236 -4.836 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.921 -2.230 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.033 -4.867 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.283 -3.303 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.076 -2.516 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.178 -3.754 -1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.135 -5.303 -0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.079 -3.910 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.552 -5.586 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.568 -5.700 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.540 -4.399 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.153 -3.439 2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.088 -3.308 0.666 1.00 0.00 H new ATOM 406 N SER A 29 -6.862 -2.902 -5.167 1.00 0.00 N ATOM 407 CA SER A 29 -5.800 -3.205 -6.118 1.00 0.00 C ATOM 408 C SER A 29 -4.472 -2.689 -5.577 1.00 0.00 C ATOM 409 O SER A 29 -4.431 -1.598 -5.011 1.00 0.00 O ATOM 410 CB SER A 29 -6.142 -2.503 -7.432 1.00 0.00 C ATOM 411 OG SER A 29 -7.168 -3.200 -8.107 1.00 0.00 O ATOM 0 H SER A 29 -6.780 -1.971 -4.758 1.00 0.00 H new ATOM 0 HA SER A 29 -5.713 -4.280 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.458 -1.479 -7.234 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.255 -2.446 -8.063 1.00 0.00 H new ATOM 0 HG SER A 29 -7.379 -2.740 -8.946 1.00 0.00 H new ATOM 417 N VAL A 30 -3.372 -3.411 -5.796 1.00 0.00 N ATOM 418 CA VAL A 30 -2.031 -2.882 -5.578 1.00 0.00 C ATOM 419 C VAL A 30 -1.161 -3.360 -6.725 1.00 0.00 C ATOM 420 O VAL A 30 -1.100 -4.556 -6.994 1.00 0.00 O ATOM 421 CB VAL A 30 -1.442 -3.313 -4.223 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.153 -2.549 -3.900 1.00 0.00 C ATOM 423 CG2 VAL A 30 -2.438 -3.131 -3.071 1.00 0.00 C ATOM 0 H VAL A 30 -3.388 -4.375 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.072 -1.793 -5.549 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.216 -4.375 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.234 -2.880 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.589 -2.743 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.364 -1.480 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.976 -3.449 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.721 -2.081 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.326 -3.734 -3.260 1.00 0.00 H new ATOM 433 N VAL A 31 -0.474 -2.425 -7.367 1.00 0.00 N ATOM 434 CA VAL A 31 0.551 -2.652 -8.364 1.00 0.00 C ATOM 435 C VAL A 31 1.865 -2.292 -7.677 1.00 0.00 C ATOM 436 O VAL A 31 2.093 -1.108 -7.420 1.00 0.00 O ATOM 437 CB VAL A 31 0.244 -1.779 -9.597 1.00 0.00 C ATOM 438 CG1 VAL A 31 1.241 -2.065 -10.722 1.00 0.00 C ATOM 439 CG2 VAL A 31 -1.198 -1.998 -10.087 1.00 0.00 C ATOM 0 H VAL A 31 -0.630 -1.432 -7.192 1.00 0.00 H new ATOM 0 HA VAL A 31 0.600 -3.679 -8.727 1.00 0.00 H new ATOM 0 HB VAL A 31 0.345 -0.735 -9.301 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.007 -1.439 -11.583 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.251 -1.845 -10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.175 -3.115 -11.008 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.386 -1.369 -10.957 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.335 -3.045 -10.359 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.896 -1.735 -9.292 1.00 0.00 H new ATOM 449 N VAL A 32 2.667 -3.293 -7.312 1.00 0.00 N ATOM 450 CA VAL A 32 3.872 -3.168 -6.499 1.00 0.00 C ATOM 451 C VAL A 32 5.100 -3.605 -7.290 1.00 0.00 C ATOM 452 O VAL A 32 5.123 -4.684 -7.883 1.00 0.00 O ATOM 453 CB VAL A 32 3.676 -3.828 -5.111 1.00 0.00 C ATOM 454 CG1 VAL A 32 2.973 -5.178 -5.163 1.00 0.00 C ATOM 455 CG2 VAL A 32 5.010 -4.106 -4.390 1.00 0.00 C ATOM 0 H VAL A 32 2.483 -4.257 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 32 4.065 -2.122 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 32 3.069 -3.094 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.873 -5.575 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.984 -5.056 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.558 -5.870 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.812 -4.569 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.618 -4.778 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.545 -3.168 -4.241 1.00 0.00 H new ATOM 465 N VAL A 33 6.125 -2.749 -7.304 1.00 0.00 N ATOM 466 CA VAL A 33 7.353 -2.934 -8.071 1.00 0.00 C ATOM 467 C VAL A 33 8.527 -2.628 -7.140 1.00 0.00 C ATOM 468 O VAL A 33 8.451 -1.648 -6.398 1.00 0.00 O ATOM 469 CB VAL A 33 7.349 -1.973 -9.285 1.00 0.00 C ATOM 470 CG1 VAL A 33 8.493 -2.321 -10.247 1.00 0.00 C ATOM 471 CG2 VAL A 33 6.019 -1.976 -10.063 1.00 0.00 C ATOM 0 H VAL A 33 6.120 -1.883 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 33 7.435 -3.954 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 33 7.485 -0.972 -8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.476 -1.636 -11.095 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.446 -2.231 -9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.370 -3.344 -10.604 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.086 -1.281 -10.900 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.820 -2.979 -10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.209 -1.670 -9.401 1.00 0.00 H new ATOM 481 N ALA A 34 9.598 -3.429 -7.191 1.00 0.00 N ATOM 482 CA ALA A 34 10.890 -3.092 -6.613 1.00 0.00 C ATOM 483 C ALA A 34 11.956 -3.314 -7.680 1.00 0.00 C ATOM 484 O ALA A 34 12.280 -4.444 -8.058 1.00 0.00 O ATOM 485 CB ALA A 34 11.168 -3.894 -5.342 1.00 0.00 C ATOM 0 H ALA A 34 9.584 -4.343 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 34 10.898 -2.046 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.142 -3.614 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.396 -3.682 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.165 -4.959 -5.576 1.00 0.00 H new ATOM 491 N ASN A 35 12.481 -2.208 -8.194 1.00 0.00 N ATOM 492 CA ASN A 35 13.629 -2.186 -9.087 1.00 0.00 C ATOM 493 C ASN A 35 14.833 -2.727 -8.309 1.00 0.00 C ATOM 494 O ASN A 35 15.229 -2.104 -7.326 1.00 0.00 O ATOM 495 CB ASN A 35 13.861 -0.738 -9.516 1.00 0.00 C ATOM 496 CG ASN A 35 14.663 -0.542 -10.783 1.00 0.00 C ATOM 497 OD1 ASN A 35 15.524 -1.331 -11.159 1.00 0.00 O ATOM 498 ND2 ASN A 35 14.340 0.546 -11.465 1.00 0.00 N ATOM 0 H ASN A 35 12.109 -1.279 -7.995 1.00 0.00 H new ATOM 0 HA ASN A 35 13.472 -2.798 -9.975 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.891 -0.259 -9.646 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.368 -0.216 -8.704 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.814 0.757 -12.343 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.617 1.173 -11.112 1.00 0.00 H new ATOM 505 N GLY A 36 15.372 -3.882 -8.697 1.00 0.00 N ATOM 506 CA GLY A 36 16.636 -4.430 -8.208 1.00 0.00 C ATOM 507 C GLY A 36 16.531 -5.477 -7.091 1.00 0.00 C ATOM 508 O GLY A 36 17.526 -6.151 -6.815 1.00 0.00 O ATOM 0 H GLY A 36 14.923 -4.484 -9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.164 -4.878 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.251 -3.605 -7.848 1.00 0.00 H new ATOM 512 N THR A 37 15.376 -5.660 -6.443 1.00 0.00 N ATOM 513 CA THR A 37 15.260 -6.526 -5.267 1.00 0.00 C ATOM 514 C THR A 37 13.864 -7.142 -5.176 1.00 0.00 C ATOM 515 O THR A 37 12.958 -6.757 -5.917 1.00 0.00 O ATOM 516 CB THR A 37 15.680 -5.725 -4.015 1.00 0.00 C ATOM 517 OG1 THR A 37 15.821 -6.534 -2.859 1.00 0.00 O ATOM 518 CG2 THR A 37 14.684 -4.617 -3.708 1.00 0.00 C ATOM 0 H THR A 37 14.500 -5.215 -6.717 1.00 0.00 H new ATOM 0 HA THR A 37 15.937 -7.377 -5.348 1.00 0.00 H new ATOM 0 HB THR A 37 16.654 -5.300 -4.258 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.502 -6.147 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.008 -4.072 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.629 -3.933 -4.555 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.701 -5.051 -3.528 1.00 0.00 H new ATOM 526 N GLN A 38 13.688 -8.077 -4.239 1.00 0.00 N ATOM 527 CA GLN A 38 12.398 -8.658 -3.923 1.00 0.00 C ATOM 528 C GLN A 38 11.700 -7.850 -2.836 1.00 0.00 C ATOM 529 O GLN A 38 12.310 -7.080 -2.079 1.00 0.00 O ATOM 530 CB GLN A 38 12.539 -10.134 -3.503 1.00 0.00 C ATOM 531 CG GLN A 38 12.524 -11.072 -4.714 1.00 0.00 C ATOM 532 CD GLN A 38 13.909 -11.432 -5.234 1.00 0.00 C ATOM 533 OE1 GLN A 38 14.844 -10.634 -5.266 1.00 0.00 O ATOM 534 NE2 GLN A 38 14.070 -12.676 -5.640 1.00 0.00 N ATOM 0 H GLN A 38 14.452 -8.451 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 38 11.784 -8.627 -4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.469 -10.268 -2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.726 -10.399 -2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.998 -11.988 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.956 -10.603 -5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.286 -13.328 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.978 -12.986 -5.986 1.00 0.00 H new ATOM 543 N LEU A 39 10.390 -8.071 -2.788 1.00 0.00 N ATOM 544 CA LEU A 39 9.485 -7.630 -1.747 1.00 0.00 C ATOM 545 C LEU A 39 9.463 -8.688 -0.661 1.00 0.00 C ATOM 546 O LEU A 39 9.793 -9.853 -0.891 1.00 0.00 O ATOM 547 CB LEU A 39 8.073 -7.472 -2.346 1.00 0.00 C ATOM 548 CG LEU A 39 7.613 -6.042 -2.651 1.00 0.00 C ATOM 549 CD1 LEU A 39 6.964 -5.400 -1.430 1.00 0.00 C ATOM 550 CD2 LEU A 39 8.737 -5.141 -3.154 1.00 0.00 C ATOM 0 H LEU A 39 9.910 -8.594 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 39 9.809 -6.676 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.028 -8.049 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.358 -7.920 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 39 6.881 -6.136 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.648 -4.386 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.097 -5.987 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.683 -5.367 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.343 -4.144 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.520 -5.080 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.152 -5.555 -4.073 1.00 0.00 H new ATOM 562 N LYS A 40 8.984 -8.285 0.505 1.00 0.00 N ATOM 563 CA LYS A 40 8.708 -9.146 1.632 1.00 0.00 C ATOM 564 C LYS A 40 7.251 -8.928 1.991 1.00 0.00 C ATOM 565 O LYS A 40 6.845 -7.781 2.203 1.00 0.00 O ATOM 566 CB LYS A 40 9.652 -8.781 2.775 1.00 0.00 C ATOM 567 CG LYS A 40 9.470 -9.708 3.981 1.00 0.00 C ATOM 568 CD LYS A 40 10.245 -9.120 5.155 1.00 0.00 C ATOM 569 CE LYS A 40 10.226 -10.085 6.334 1.00 0.00 C ATOM 570 NZ LYS A 40 10.785 -9.457 7.545 1.00 0.00 N ATOM 0 H LYS A 40 8.770 -7.306 0.695 1.00 0.00 H new ATOM 0 HA LYS A 40 8.871 -10.201 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.683 -8.836 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.473 -7.750 3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.413 -9.802 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.833 -10.709 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.274 -8.919 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.806 -8.167 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.203 -10.407 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.800 -10.978 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.760 -10.137 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.769 -9.172 7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.221 -8.619 7.793 1.00 0.00 H new ATOM 584 N ASP A 41 6.475 -10.005 2.026 1.00 0.00 N ATOM 585 CA ASP A 41 5.104 -9.954 2.514 1.00 0.00 C ATOM 586 C ASP A 41 5.162 -9.840 4.030 1.00 0.00 C ATOM 587 O ASP A 41 5.741 -10.703 4.693 1.00 0.00 O ATOM 588 CB ASP A 41 4.321 -11.214 2.145 1.00 0.00 C ATOM 589 CG ASP A 41 2.825 -11.044 2.425 1.00 0.00 C ATOM 590 OD1 ASP A 41 2.434 -10.112 3.170 1.00 0.00 O ATOM 591 OD2 ASP A 41 2.049 -11.869 1.900 1.00 0.00 O ATOM 0 H ASP A 41 6.776 -10.930 1.720 1.00 0.00 H new ATOM 0 HA ASP A 41 4.597 -9.103 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.472 -11.442 1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.705 -12.062 2.712 1.00 0.00 H new ATOM 596 N GLY A 42 4.600 -8.779 4.599 1.00 0.00 N ATOM 597 CA GLY A 42 4.611 -8.587 6.036 1.00 0.00 C ATOM 598 C GLY A 42 3.735 -9.584 6.796 1.00 0.00 C ATOM 599 O GLY A 42 3.954 -9.736 8.001 1.00 0.00 O ATOM 0 H GLY A 42 4.130 -8.038 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.636 -8.669 6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.274 -7.575 6.261 1.00 0.00 H new ATOM 603 N ALA A 43 2.749 -10.228 6.153 1.00 0.00 N ATOM 604 CA ALA A 43 1.751 -11.026 6.863 1.00 0.00 C ATOM 605 C ALA A 43 2.341 -12.310 7.463 1.00 0.00 C ATOM 606 O ALA A 43 2.055 -12.608 8.628 1.00 0.00 O ATOM 607 CB ALA A 43 0.538 -11.280 5.962 1.00 0.00 C ATOM 0 H ALA A 43 2.626 -10.208 5.141 1.00 0.00 H new ATOM 0 HA ALA A 43 1.404 -10.452 7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.198 -11.875 6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.093 -10.328 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.855 -11.818 5.069 1.00 0.00 H new ATOM 613 N THR A 44 3.207 -13.028 6.740 1.00 0.00 N ATOM 614 CA THR A 44 3.924 -14.190 7.271 1.00 0.00 C ATOM 615 C THR A 44 5.439 -14.095 7.076 1.00 0.00 C ATOM 616 O THR A 44 6.171 -14.968 7.555 1.00 0.00 O ATOM 617 CB THR A 44 3.314 -15.528 6.794 1.00 0.00 C ATOM 618 OG1 THR A 44 2.887 -15.595 5.463 1.00 0.00 O ATOM 619 CG2 THR A 44 2.124 -15.927 7.666 1.00 0.00 C ATOM 0 H THR A 44 3.430 -12.818 5.767 1.00 0.00 H new ATOM 0 HA THR A 44 3.781 -14.176 8.351 1.00 0.00 H new ATOM 0 HB THR A 44 4.159 -16.211 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.524 -16.487 5.281 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.713 -16.871 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.452 -16.041 8.699 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.358 -15.154 7.612 1.00 0.00 H new ATOM 627 N GLY A 45 5.931 -13.007 6.480 1.00 0.00 N ATOM 628 CA GLY A 45 7.350 -12.771 6.271 1.00 0.00 C ATOM 629 C GLY A 45 7.860 -13.498 5.032 1.00 0.00 C ATOM 630 O GLY A 45 9.014 -13.925 5.013 1.00 0.00 O ATOM 0 H GLY A 45 5.339 -12.256 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.531 -11.701 6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.908 -13.105 7.146 1.00 0.00 H new ATOM 634 N GLU A 46 6.992 -13.713 4.045 1.00 0.00 N ATOM 635 CA GLU A 46 7.284 -14.437 2.815 1.00 0.00 C ATOM 636 C GLU A 46 8.074 -13.524 1.873 1.00 0.00 C ATOM 637 O GLU A 46 8.231 -12.331 2.148 1.00 0.00 O ATOM 638 CB GLU A 46 5.969 -14.950 2.196 1.00 0.00 C ATOM 639 CG GLU A 46 5.115 -15.686 3.241 1.00 0.00 C ATOM 640 CD GLU A 46 4.445 -16.950 2.717 1.00 0.00 C ATOM 641 OE1 GLU A 46 3.394 -16.900 2.041 1.00 0.00 O ATOM 642 OE2 GLU A 46 5.004 -18.042 2.994 1.00 0.00 O ATOM 0 H GLU A 46 6.031 -13.374 4.084 1.00 0.00 H new ATOM 0 HA GLU A 46 7.903 -15.312 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.405 -14.112 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.192 -15.621 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.745 -15.947 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.347 -15.007 3.611 1.00 0.00 H new ATOM 649 N SER A 47 8.571 -14.055 0.756 1.00 0.00 N ATOM 650 CA SER A 47 9.360 -13.286 -0.201 1.00 0.00 C ATOM 651 C SER A 47 8.733 -13.360 -1.564 1.00 0.00 C ATOM 652 O SER A 47 8.386 -14.438 -2.061 1.00 0.00 O ATOM 653 CB SER A 47 10.797 -13.771 -0.223 1.00 0.00 C ATOM 654 OG SER A 47 11.635 -12.931 -0.993 1.00 0.00 O ATOM 0 H SER A 47 8.437 -15.031 0.491 1.00 0.00 H new ATOM 0 HA SER A 47 9.372 -12.241 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.177 -13.822 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.831 -14.783 -0.627 1.00 0.00 H new ATOM 0 HG SER A 47 12.551 -13.280 -0.978 1.00 0.00 H new ATOM 660 N LEU A 48 8.591 -12.178 -2.141 1.00 0.00 N ATOM 661 CA LEU A 48 7.731 -11.932 -3.280 1.00 0.00 C ATOM 662 C LEU A 48 8.578 -11.446 -4.437 1.00 0.00 C ATOM 663 O LEU A 48 9.280 -10.432 -4.351 1.00 0.00 O ATOM 664 CB LEU A 48 6.621 -10.942 -2.934 1.00 0.00 C ATOM 665 CG LEU A 48 5.791 -11.267 -1.676 1.00 0.00 C ATOM 666 CD1 LEU A 48 4.754 -10.149 -1.575 1.00 0.00 C ATOM 667 CD2 LEU A 48 5.129 -12.650 -1.705 1.00 0.00 C ATOM 0 H LEU A 48 9.084 -11.345 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 48 7.236 -12.859 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.068 -9.956 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.943 -10.875 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 48 6.441 -11.313 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.125 -10.314 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.262 -9.189 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.134 -10.145 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.564 -12.802 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.455 -12.713 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.897 -13.419 -1.791 1.00 0.00 H new ATOM 679 N ALA A 49 8.499 -12.207 -5.523 1.00 0.00 N ATOM 680 CA ALA A 49 9.140 -11.913 -6.790 1.00 0.00 C ATOM 681 C ALA A 49 8.369 -10.763 -7.423 1.00 0.00 C ATOM 682 O ALA A 49 7.333 -10.979 -8.052 1.00 0.00 O ATOM 683 CB ALA A 49 9.153 -13.159 -7.679 1.00 0.00 C ATOM 0 H ALA A 49 7.966 -13.077 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 49 10.182 -11.623 -6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.637 -12.924 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.702 -13.957 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.129 -13.484 -7.865 1.00 0.00 H new ATOM 689 N SER A 50 8.812 -9.537 -7.163 1.00 0.00 N ATOM 690 CA SER A 50 8.215 -8.358 -7.753 1.00 0.00 C ATOM 691 C SER A 50 8.609 -8.256 -9.245 1.00 0.00 C ATOM 692 O SER A 50 9.606 -8.878 -9.633 1.00 0.00 O ATOM 693 CB SER A 50 8.630 -7.147 -6.911 1.00 0.00 C ATOM 694 OG SER A 50 9.860 -6.561 -7.281 1.00 0.00 O ATOM 0 H SER A 50 9.594 -9.340 -6.538 1.00 0.00 H new ATOM 0 HA SER A 50 7.126 -8.406 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.848 -6.390 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.689 -7.452 -5.866 1.00 0.00 H new ATOM 0 HG SER A 50 10.588 -6.984 -6.779 1.00 0.00 H new ATOM 700 N PRO A 51 7.945 -7.425 -10.068 1.00 0.00 N ATOM 701 CA PRO A 51 6.683 -6.776 -9.762 1.00 0.00 C ATOM 702 C PRO A 51 5.591 -7.814 -9.504 1.00 0.00 C ATOM 703 O PRO A 51 5.629 -8.931 -10.013 1.00 0.00 O ATOM 704 CB PRO A 51 6.359 -5.902 -10.974 1.00 0.00 C ATOM 705 CG PRO A 51 7.087 -6.585 -12.127 1.00 0.00 C ATOM 706 CD PRO A 51 8.330 -7.152 -11.444 1.00 0.00 C ATOM 0 HA PRO A 51 6.745 -6.174 -8.856 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.285 -5.852 -11.154 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.707 -4.879 -10.833 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.481 -7.368 -12.582 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.344 -5.881 -12.918 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.668 -8.061 -11.942 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.155 -6.441 -11.484 1.00 0.00 H new ATOM 714 N VAL A 52 4.638 -7.458 -8.654 1.00 0.00 N ATOM 715 CA VAL A 52 3.518 -8.300 -8.306 1.00 0.00 C ATOM 716 C VAL A 52 2.285 -7.427 -8.159 1.00 0.00 C ATOM 717 O VAL A 52 2.377 -6.208 -7.977 1.00 0.00 O ATOM 718 CB VAL A 52 3.901 -9.168 -7.090 1.00 0.00 C ATOM 719 CG1 VAL A 52 4.212 -8.388 -5.816 1.00 0.00 C ATOM 720 CG2 VAL A 52 2.863 -10.244 -6.746 1.00 0.00 C ATOM 0 H VAL A 52 4.628 -6.555 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 52 3.262 -9.019 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 52 4.820 -9.643 -7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.470 -9.084 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.051 -7.715 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.338 -7.807 -5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.202 -10.813 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.909 -9.769 -6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.739 -10.915 -7.596 1.00 0.00 H new ATOM 730 N ILE A 53 1.129 -8.060 -8.279 1.00 0.00 N ATOM 731 CA ILE A 53 -0.164 -7.453 -8.120 1.00 0.00 C ATOM 732 C ILE A 53 -0.746 -8.131 -6.890 1.00 0.00 C ATOM 733 O ILE A 53 -0.896 -9.357 -6.863 1.00 0.00 O ATOM 734 CB ILE A 53 -0.998 -7.625 -9.405 1.00 0.00 C ATOM 735 CG1 ILE A 53 -0.285 -7.099 -10.673 1.00 0.00 C ATOM 736 CG2 ILE A 53 -2.367 -6.953 -9.251 1.00 0.00 C ATOM 737 CD1 ILE A 53 0.247 -5.666 -10.602 1.00 0.00 C ATOM 0 H ILE A 53 1.074 -9.054 -8.500 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.137 -6.374 -7.971 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.129 -8.698 -9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.549 -7.764 -10.898 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.980 -7.166 -11.510 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.942 -7.084 -10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.903 -7.407 -8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.230 -5.889 -9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.726 -5.408 -11.547 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.579 -4.980 -10.415 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.974 -5.587 -9.794 1.00 0.00 H new ATOM 749 N LEU A 54 -0.997 -7.347 -5.842 1.00 0.00 N ATOM 750 CA LEU A 54 -1.767 -7.865 -4.722 1.00 0.00 C ATOM 751 C LEU A 54 -3.231 -7.859 -5.128 1.00 0.00 C ATOM 752 O LEU A 54 -3.653 -7.109 -6.019 1.00 0.00 O ATOM 753 CB LEU A 54 -1.564 -7.071 -3.424 1.00 0.00 C ATOM 754 CG LEU A 54 -0.099 -6.940 -2.964 1.00 0.00 C ATOM 755 CD1 LEU A 54 -0.042 -6.193 -1.628 1.00 0.00 C ATOM 756 CD2 LEU A 54 0.589 -8.301 -2.805 1.00 0.00 C ATOM 0 H LEU A 54 -0.687 -6.380 -5.748 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.420 -8.874 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.978 -6.072 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.137 -7.549 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 54 0.432 -6.386 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.995 -6.102 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.473 -5.199 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.608 -6.745 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.619 -8.152 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.055 -8.894 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.583 -8.826 -3.760 1.00 0.00 H new ATOM 768 N SER A 55 -4.010 -8.662 -4.420 1.00 0.00 N ATOM 769 CA SER A 55 -5.421 -8.884 -4.652 1.00 0.00 C ATOM 770 C SER A 55 -6.129 -8.929 -3.295 1.00 0.00 C ATOM 771 O SER A 55 -5.530 -8.602 -2.270 1.00 0.00 O ATOM 772 CB SER A 55 -5.587 -10.166 -5.479 1.00 0.00 C ATOM 773 OG SER A 55 -4.851 -10.108 -6.693 1.00 0.00 O ATOM 0 H SER A 55 -3.654 -9.201 -3.631 1.00 0.00 H new ATOM 0 HA SER A 55 -5.879 -8.079 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.255 -11.023 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.643 -10.322 -5.701 1.00 0.00 H new ATOM 0 HG SER A 55 -4.979 -10.941 -7.193 1.00 0.00 H new ATOM 779 N ASP A 56 -7.418 -9.258 -3.299 1.00 0.00 N ATOM 780 CA ASP A 56 -8.297 -9.253 -2.131 1.00 0.00 C ATOM 781 C ASP A 56 -7.775 -10.118 -0.982 1.00 0.00 C ATOM 782 O ASP A 56 -7.805 -9.687 0.165 1.00 0.00 O ATOM 783 CB ASP A 56 -9.666 -9.765 -2.595 1.00 0.00 C ATOM 784 CG ASP A 56 -10.766 -9.608 -1.555 1.00 0.00 C ATOM 785 OD1 ASP A 56 -10.804 -8.550 -0.879 1.00 0.00 O ATOM 786 OD2 ASP A 56 -11.715 -10.420 -1.543 1.00 0.00 O ATOM 0 H ASP A 56 -7.899 -9.547 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.353 -8.238 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.956 -9.231 -3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.578 -10.818 -2.861 1.00 0.00 H new ATOM 791 N GLU A 57 -7.237 -11.303 -1.284 1.00 0.00 N ATOM 792 CA GLU A 57 -6.758 -12.269 -0.290 1.00 0.00 C ATOM 793 C GLU A 57 -5.533 -11.736 0.450 1.00 0.00 C ATOM 794 O GLU A 57 -5.400 -11.894 1.665 1.00 0.00 O ATOM 795 CB GLU A 57 -6.408 -13.595 -0.986 1.00 0.00 C ATOM 796 CG GLU A 57 -7.634 -14.304 -1.582 1.00 0.00 C ATOM 797 CD GLU A 57 -8.482 -15.005 -0.517 1.00 0.00 C ATOM 798 OE1 GLU A 57 -9.288 -14.328 0.171 1.00 0.00 O ATOM 799 OE2 GLU A 57 -8.374 -16.245 -0.409 1.00 0.00 O ATOM 0 H GLU A 57 -7.120 -11.624 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.552 -12.433 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.686 -13.403 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.925 -14.259 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.249 -13.576 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.304 -15.036 -2.319 1.00 0.00 H new ATOM 806 N GLU A 58 -4.652 -11.068 -0.290 1.00 0.00 N ATOM 807 CA GLU A 58 -3.435 -10.478 0.241 1.00 0.00 C ATOM 808 C GLU A 58 -3.774 -9.312 1.176 1.00 0.00 C ATOM 809 O GLU A 58 -2.975 -8.935 2.030 1.00 0.00 O ATOM 810 CB GLU A 58 -2.558 -9.956 -0.909 1.00 0.00 C ATOM 811 CG GLU A 58 -2.496 -10.846 -2.164 1.00 0.00 C ATOM 812 CD GLU A 58 -2.101 -12.295 -1.876 1.00 0.00 C ATOM 813 OE1 GLU A 58 -1.235 -12.528 -1.003 1.00 0.00 O ATOM 814 OE2 GLU A 58 -2.670 -13.195 -2.538 1.00 0.00 O ATOM 0 H GLU A 58 -4.770 -10.921 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.896 -11.245 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.925 -8.972 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.544 -9.819 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.470 -10.835 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.781 -10.417 -2.867 1.00 0.00 H new ATOM 821 N LEU A 59 -4.967 -8.734 1.007 1.00 0.00 N ATOM 822 CA LEU A 59 -5.459 -7.544 1.683 1.00 0.00 C ATOM 823 C LEU A 59 -6.669 -7.866 2.563 1.00 0.00 C ATOM 824 O LEU A 59 -7.448 -6.978 2.909 1.00 0.00 O ATOM 825 CB LEU A 59 -5.802 -6.504 0.615 1.00 0.00 C ATOM 826 CG LEU A 59 -4.600 -5.877 -0.113 1.00 0.00 C ATOM 827 CD1 LEU A 59 -5.143 -4.667 -0.860 1.00 0.00 C ATOM 828 CD2 LEU A 59 -3.463 -5.388 0.790 1.00 0.00 C ATOM 0 H LEU A 59 -5.652 -9.113 0.353 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.692 -7.149 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.450 -6.971 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.378 -5.705 1.083 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.165 -6.654 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.332 -4.178 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.907 -4.989 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.580 -3.966 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.668 -4.965 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.841 -4.625 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.070 -6.226 1.366 1.00 0.00 H new ATOM 840 N ALA A 60 -6.847 -9.134 2.925 1.00 0.00 N ATOM 841 CA ALA A 60 -8.016 -9.637 3.624 1.00 0.00 C ATOM 842 C ALA A 60 -8.050 -9.262 5.115 1.00 0.00 C ATOM 843 O ALA A 60 -8.944 -9.733 5.824 1.00 0.00 O ATOM 844 CB ALA A 60 -8.065 -11.158 3.446 1.00 0.00 C ATOM 0 H ALA A 60 -6.156 -9.859 2.731 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.897 -9.165 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.937 -11.557 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.132 -11.398 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.161 -11.602 3.862 1.00 0.00 H new ATOM 850 N VAL A 61 -7.093 -8.474 5.608 1.00 0.00 N ATOM 851 CA VAL A 61 -6.809 -8.269 7.025 1.00 0.00 C ATOM 852 C VAL A 61 -6.897 -6.782 7.397 1.00 0.00 C ATOM 853 O VAL A 61 -6.853 -5.898 6.543 1.00 0.00 O ATOM 854 CB VAL A 61 -5.403 -8.830 7.351 1.00 0.00 C ATOM 855 CG1 VAL A 61 -5.271 -10.348 7.201 1.00 0.00 C ATOM 856 CG2 VAL A 61 -4.326 -8.199 6.467 1.00 0.00 C ATOM 0 H VAL A 61 -6.470 -7.940 5.003 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.556 -8.800 7.615 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.264 -8.573 8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.254 -10.651 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.972 -10.842 7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.493 -10.633 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.353 -8.617 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.546 -8.409 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.311 -7.121 6.625 1.00 0.00 H new ATOM 866 N GLU A 62 -6.921 -6.492 8.697 1.00 0.00 N ATOM 867 CA GLU A 62 -6.912 -5.139 9.257 1.00 0.00 C ATOM 868 C GLU A 62 -5.718 -4.263 8.833 1.00 0.00 C ATOM 869 O GLU A 62 -5.793 -3.037 8.954 1.00 0.00 O ATOM 870 CB GLU A 62 -6.926 -5.228 10.792 1.00 0.00 C ATOM 871 CG GLU A 62 -5.805 -6.135 11.329 1.00 0.00 C ATOM 872 CD GLU A 62 -5.307 -5.754 12.719 1.00 0.00 C ATOM 873 OE1 GLU A 62 -5.937 -6.158 13.723 1.00 0.00 O ATOM 874 OE2 GLU A 62 -4.192 -5.188 12.822 1.00 0.00 O ATOM 0 H GLU A 62 -6.948 -7.216 9.415 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.803 -4.655 8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.817 -4.229 11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.891 -5.610 11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.165 -7.164 11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.966 -6.107 10.634 1.00 0.00 H new ATOM 881 N LYS A 63 -4.592 -4.859 8.422 1.00 0.00 N ATOM 882 CA LYS A 63 -3.326 -4.156 8.218 1.00 0.00 C ATOM 883 C LYS A 63 -2.414 -5.021 7.362 1.00 0.00 C ATOM 884 O LYS A 63 -2.263 -6.195 7.709 1.00 0.00 O ATOM 885 CB LYS A 63 -2.659 -3.917 9.588 1.00 0.00 C ATOM 886 CG LYS A 63 -1.892 -2.598 9.739 1.00 0.00 C ATOM 887 CD LYS A 63 -0.698 -2.412 8.795 1.00 0.00 C ATOM 888 CE LYS A 63 0.385 -1.531 9.436 1.00 0.00 C ATOM 889 NZ LYS A 63 1.499 -2.345 9.962 1.00 0.00 N ATOM 0 H LYS A 63 -4.537 -5.857 8.220 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.504 -3.202 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.430 -3.957 10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.971 -4.739 9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.588 -1.774 9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.535 -2.522 10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.276 -3.385 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.035 -1.958 7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.765 -0.824 8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.052 -0.944 10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.237 -1.719 10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.148 -2.966 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.898 -2.924 9.196 1.00 0.00 H new ATOM 903 N VAL A 64 -1.745 -4.473 6.348 1.00 0.00 N ATOM 904 CA VAL A 64 -0.624 -5.164 5.704 1.00 0.00 C ATOM 905 C VAL A 64 0.585 -4.217 5.716 1.00 0.00 C ATOM 906 O VAL A 64 0.443 -3.006 5.919 1.00 0.00 O ATOM 907 CB VAL A 64 -0.978 -5.736 4.304 1.00 0.00 C ATOM 908 CG1 VAL A 64 -0.071 -6.913 3.906 1.00 0.00 C ATOM 909 CG2 VAL A 64 -2.425 -6.235 4.226 1.00 0.00 C ATOM 0 H VAL A 64 -1.957 -3.556 5.955 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.368 -6.060 6.269 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.832 -4.900 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.359 -7.277 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.967 -6.580 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.177 -7.717 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.622 -6.625 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.577 -7.026 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.106 -5.410 4.434 1.00 0.00 H new ATOM 919 N THR A 65 1.786 -4.753 5.524 1.00 0.00 N ATOM 920 CA THR A 65 3.057 -4.039 5.550 1.00 0.00 C ATOM 921 C THR A 65 3.931 -4.648 4.455 1.00 0.00 C ATOM 922 O THR A 65 4.061 -5.873 4.420 1.00 0.00 O ATOM 923 CB THR A 65 3.707 -4.212 6.934 1.00 0.00 C ATOM 924 OG1 THR A 65 2.765 -4.001 7.979 1.00 0.00 O ATOM 925 CG2 THR A 65 4.904 -3.274 7.088 1.00 0.00 C ATOM 0 H THR A 65 1.905 -5.749 5.336 1.00 0.00 H new ATOM 0 HA THR A 65 2.926 -2.971 5.374 1.00 0.00 H new ATOM 0 HB THR A 65 4.061 -5.240 7.009 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.159 -4.273 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.350 -3.412 8.073 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.644 -3.499 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.573 -2.241 6.981 1.00 0.00 H new ATOM 933 N LEU A 66 4.489 -3.842 3.546 1.00 0.00 N ATOM 934 CA LEU A 66 5.321 -4.330 2.448 1.00 0.00 C ATOM 935 C LEU A 66 6.614 -3.533 2.464 1.00 0.00 C ATOM 936 O LEU A 66 6.599 -2.305 2.511 1.00 0.00 O ATOM 937 CB LEU A 66 4.628 -4.202 1.077 1.00 0.00 C ATOM 938 CG LEU A 66 3.565 -5.253 0.698 1.00 0.00 C ATOM 939 CD1 LEU A 66 3.992 -6.695 0.969 1.00 0.00 C ATOM 940 CD2 LEU A 66 2.232 -4.964 1.385 1.00 0.00 C ATOM 0 H LEU A 66 4.374 -2.829 3.554 1.00 0.00 H new ATOM 0 HA LEU A 66 5.510 -5.394 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.157 -3.220 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.402 -4.219 0.310 1.00 0.00 H new ATOM 0 HG LEU A 66 3.446 -5.163 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.190 -7.373 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.889 -6.923 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.202 -6.819 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.503 -5.722 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.368 -4.982 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.872 -3.981 1.082 1.00 0.00 H new ATOM 952 N SER A 67 7.736 -4.228 2.377 1.00 0.00 N ATOM 953 CA SER A 67 9.087 -3.717 2.578 1.00 0.00 C ATOM 954 C SER A 67 10.003 -4.531 1.662 1.00 0.00 C ATOM 955 O SER A 67 9.589 -5.579 1.152 1.00 0.00 O ATOM 956 CB SER A 67 9.431 -3.856 4.075 1.00 0.00 C ATOM 957 OG SER A 67 10.719 -3.385 4.420 1.00 0.00 O ATOM 0 H SER A 67 7.731 -5.223 2.151 1.00 0.00 H new ATOM 0 HA SER A 67 9.200 -2.663 2.324 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.689 -3.312 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.352 -4.906 4.358 1.00 0.00 H new ATOM 0 HG SER A 67 10.895 -2.542 3.953 1.00 0.00 H new ATOM 963 N THR A 68 11.224 -4.061 1.423 1.00 0.00 N ATOM 964 CA THR A 68 12.172 -4.805 0.586 1.00 0.00 C ATOM 965 C THR A 68 13.154 -5.639 1.401 1.00 0.00 C ATOM 966 O THR A 68 13.454 -5.373 2.569 1.00 0.00 O ATOM 967 CB THR A 68 12.892 -3.903 -0.429 1.00 0.00 C ATOM 968 OG1 THR A 68 13.369 -2.695 0.133 1.00 0.00 O ATOM 969 CG2 THR A 68 11.956 -3.620 -1.598 1.00 0.00 C ATOM 0 H THR A 68 11.581 -3.179 1.790 1.00 0.00 H new ATOM 0 HA THR A 68 11.570 -5.510 0.013 1.00 0.00 H new ATOM 0 HB THR A 68 13.776 -4.440 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.331 -2.613 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.461 -2.980 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.677 -4.559 -2.076 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.060 -3.118 -1.233 1.00 0.00 H new ATOM 977 N THR A 69 13.701 -6.654 0.737 1.00 0.00 N ATOM 978 CA THR A 69 14.785 -7.466 1.256 1.00 0.00 C ATOM 979 C THR A 69 16.131 -6.722 1.174 1.00 0.00 C ATOM 980 O THR A 69 17.035 -7.007 1.964 1.00 0.00 O ATOM 981 CB THR A 69 14.785 -8.792 0.480 1.00 0.00 C ATOM 982 OG1 THR A 69 14.810 -8.539 -0.911 1.00 0.00 O ATOM 983 CG2 THR A 69 13.529 -9.620 0.783 1.00 0.00 C ATOM 0 H THR A 69 13.394 -6.936 -0.194 1.00 0.00 H new ATOM 0 HA THR A 69 14.639 -7.674 2.316 1.00 0.00 H new ATOM 0 HB THR A 69 15.670 -9.347 0.791 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.217 -7.663 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.562 -10.551 0.217 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.489 -9.844 1.849 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.642 -9.054 0.498 1.00 0.00 H new ATOM 991 N GLY A 70 16.297 -5.758 0.257 1.00 0.00 N ATOM 992 CA GLY A 70 17.516 -4.961 0.097 1.00 0.00 C ATOM 993 C GLY A 70 17.224 -3.576 -0.487 1.00 0.00 C ATOM 994 O GLY A 70 16.061 -3.164 -0.562 1.00 0.00 O ATOM 0 H GLY A 70 15.567 -5.507 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.006 -4.850 1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.212 -5.490 -0.554 1.00 0.00 H new ATOM 998 N LYS A 71 18.277 -2.846 -0.886 1.00 0.00 N ATOM 999 CA LYS A 71 18.172 -1.621 -1.683 1.00 0.00 C ATOM 1000 C LYS A 71 17.241 -1.896 -2.851 1.00 0.00 C ATOM 1001 O LYS A 71 17.384 -2.928 -3.507 1.00 0.00 O ATOM 1002 CB LYS A 71 19.554 -1.192 -2.235 1.00 0.00 C ATOM 1003 CG LYS A 71 19.484 0.077 -3.097 1.00 0.00 C ATOM 1004 CD LYS A 71 20.838 0.493 -3.696 1.00 0.00 C ATOM 1005 CE LYS A 71 20.564 1.360 -4.938 1.00 0.00 C ATOM 1006 NZ LYS A 71 21.777 1.741 -5.687 1.00 0.00 N ATOM 0 H LYS A 71 19.239 -3.097 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 71 17.791 -0.818 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.236 -1.022 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.972 -2.006 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.772 -0.083 -3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.098 0.896 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.423 1.050 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.421 -0.387 -3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.893 0.818 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.042 2.265 -4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.510 2.322 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.411 2.286 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.266 0.884 -6.015 1.00 0.00 H new ATOM 1020 N ALA A 72 16.387 -0.933 -3.169 1.00 0.00 N ATOM 1021 CA ALA A 72 15.741 -0.880 -4.460 1.00 0.00 C ATOM 1022 C ALA A 72 16.024 0.480 -5.073 1.00 0.00 C ATOM 1023 O ALA A 72 16.696 1.316 -4.463 1.00 0.00 O ATOM 1024 CB ALA A 72 14.246 -1.093 -4.280 1.00 0.00 C ATOM 0 H ALA A 72 16.128 -0.174 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 72 16.120 -1.660 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.753 -1.054 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.070 -2.067 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.842 -0.311 -3.637 1.00 0.00 H new ATOM 1030 N ILE A 73 15.523 0.685 -6.288 1.00 0.00 N ATOM 1031 CA ILE A 73 15.705 1.932 -7.018 1.00 0.00 C ATOM 1032 C ILE A 73 14.382 2.707 -7.161 1.00 0.00 C ATOM 1033 O ILE A 73 14.397 3.887 -7.509 1.00 0.00 O ATOM 1034 CB ILE A 73 16.367 1.633 -8.384 1.00 0.00 C ATOM 1035 CG1 ILE A 73 17.426 0.506 -8.424 1.00 0.00 C ATOM 1036 CG2 ILE A 73 16.872 2.924 -9.002 1.00 0.00 C ATOM 1037 CD1 ILE A 73 18.610 0.673 -7.474 1.00 0.00 C ATOM 0 H ILE A 73 14.978 -0.013 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 73 16.369 2.584 -6.451 1.00 0.00 H new ATOM 0 HB ILE A 73 15.570 1.206 -8.993 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.932 -0.439 -8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 73 17.809 0.429 -9.442 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.338 2.709 -9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.037 3.609 -9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.605 3.383 -8.338 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.288 -0.173 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 73 19.139 1.596 -7.711 1.00 0.00 H new ATOM 0 HD13 ILE A 73 18.249 0.715 -6.446 1.00 0.00 H new ATOM 1049 N GLU A 74 13.231 2.074 -6.917 1.00 0.00 N ATOM 1050 CA GLU A 74 11.911 2.664 -7.135 1.00 0.00 C ATOM 1051 C GLU A 74 10.911 1.918 -6.231 1.00 0.00 C ATOM 1052 O GLU A 74 11.174 0.757 -5.897 1.00 0.00 O ATOM 1053 CB GLU A 74 11.559 2.525 -8.643 1.00 0.00 C ATOM 1054 CG GLU A 74 10.918 1.196 -8.976 1.00 0.00 C ATOM 1055 CD GLU A 74 10.550 1.010 -10.452 1.00 0.00 C ATOM 1056 OE1 GLU A 74 9.671 1.773 -10.913 1.00 0.00 O ATOM 1057 OE2 GLU A 74 11.046 0.060 -11.107 1.00 0.00 O ATOM 0 H GLU A 74 13.192 1.121 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 74 11.881 3.724 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.883 3.331 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.466 2.644 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.599 0.397 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.016 1.083 -8.375 1.00 0.00 H new ATOM 1064 N PHE A 75 9.752 2.509 -5.927 1.00 0.00 N ATOM 1065 CA PHE A 75 8.583 1.858 -5.347 1.00 0.00 C ATOM 1066 C PHE A 75 7.306 2.522 -5.874 1.00 0.00 C ATOM 1067 O PHE A 75 6.956 3.629 -5.458 1.00 0.00 O ATOM 1068 CB PHE A 75 8.627 1.912 -3.814 1.00 0.00 C ATOM 1069 CG PHE A 75 7.749 0.877 -3.136 1.00 0.00 C ATOM 1070 CD1 PHE A 75 7.959 -0.496 -3.364 1.00 0.00 C ATOM 1071 CD2 PHE A 75 6.734 1.271 -2.251 1.00 0.00 C ATOM 1072 CE1 PHE A 75 7.208 -1.464 -2.680 1.00 0.00 C ATOM 1073 CE2 PHE A 75 5.912 0.304 -1.656 1.00 0.00 C ATOM 1074 CZ PHE A 75 6.172 -1.067 -1.823 1.00 0.00 C ATOM 0 H PHE A 75 9.600 3.505 -6.088 1.00 0.00 H new ATOM 0 HA PHE A 75 8.586 0.809 -5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.657 1.772 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.320 2.905 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.709 -0.809 -4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.586 2.317 -2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.428 -2.513 -2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.067 0.617 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.582 -1.804 -1.299 1.00 0.00 H new ATOM 1084 N ALA A 76 6.610 1.859 -6.797 1.00 0.00 N ATOM 1085 CA ALA A 76 5.337 2.336 -7.330 1.00 0.00 C ATOM 1086 C ALA A 76 4.183 1.708 -6.549 1.00 0.00 C ATOM 1087 O ALA A 76 4.311 0.555 -6.135 1.00 0.00 O ATOM 1088 CB ALA A 76 5.250 1.955 -8.804 1.00 0.00 C ATOM 0 H ALA A 76 6.916 0.972 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 76 5.271 3.419 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.303 2.305 -9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.075 2.416 -9.348 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.310 0.871 -8.904 1.00 0.00 H new ATOM 1094 N VAL A 77 3.052 2.404 -6.388 1.00 0.00 N ATOM 1095 CA VAL A 77 1.839 1.898 -5.737 1.00 0.00 C ATOM 1096 C VAL A 77 0.620 2.570 -6.378 1.00 0.00 C ATOM 1097 O VAL A 77 0.402 3.757 -6.166 1.00 0.00 O ATOM 1098 CB VAL A 77 1.833 2.197 -4.216 1.00 0.00 C ATOM 1099 CG1 VAL A 77 0.647 1.483 -3.553 1.00 0.00 C ATOM 1100 CG2 VAL A 77 3.065 1.732 -3.444 1.00 0.00 C ATOM 0 H VAL A 77 2.953 3.364 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 77 1.808 0.816 -5.869 1.00 0.00 H new ATOM 0 HB VAL A 77 1.790 3.285 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.646 1.695 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.284 1.838 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.736 0.408 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.954 1.992 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.169 0.651 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.952 2.220 -3.847 1.00 0.00 H new ATOM 1110 N SER A 78 -0.237 1.854 -7.102 1.00 0.00 N ATOM 1111 CA SER A 78 -1.539 2.403 -7.501 1.00 0.00 C ATOM 1112 C SER A 78 -2.648 1.403 -7.195 1.00 0.00 C ATOM 1113 O SER A 78 -2.354 0.266 -6.803 1.00 0.00 O ATOM 1114 CB SER A 78 -1.485 2.797 -8.984 1.00 0.00 C ATOM 1115 OG SER A 78 -1.185 1.663 -9.771 1.00 0.00 O ATOM 0 H SER A 78 -0.060 0.902 -7.424 1.00 0.00 H new ATOM 0 HA SER A 78 -1.765 3.302 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.441 3.222 -9.292 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.729 3.567 -9.138 1.00 0.00 H new ATOM 0 HG SER A 78 -1.154 1.920 -10.716 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.908 1.816 -7.334 1.00 0.00 N ATOM 1122 CA GLY A 79 -5.045 0.916 -7.320 1.00 0.00 C ATOM 1123 C GLY A 79 -6.324 1.702 -7.127 1.00 0.00 C ATOM 1124 O GLY A 79 -6.823 2.285 -8.092 1.00 0.00 O ATOM 0 H GLY A 79 -4.163 2.796 -7.460 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.089 0.358 -8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.932 0.186 -6.518 1.00 0.00 H new ATOM 1128 N GLY A 80 -6.815 1.732 -5.885 1.00 0.00 N ATOM 1129 CA GLY A 80 -8.064 2.401 -5.504 1.00 0.00 C ATOM 1130 C GLY A 80 -9.069 1.403 -4.925 1.00 0.00 C ATOM 1131 O GLY A 80 -8.717 0.247 -4.678 1.00 0.00 O ATOM 0 H GLY A 80 -6.346 1.282 -5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.854 3.178 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.497 2.894 -6.375 1.00 0.00 H new ATOM 1135 N VAL A 81 -10.286 1.851 -4.623 1.00 0.00 N ATOM 1136 CA VAL A 81 -11.358 0.991 -4.129 1.00 0.00 C ATOM 1137 C VAL A 81 -12.674 1.479 -4.702 1.00 0.00 C ATOM 1138 O VAL A 81 -13.316 2.379 -4.156 1.00 0.00 O ATOM 1139 CB VAL A 81 -11.432 0.911 -2.591 1.00 0.00 C ATOM 1140 CG1 VAL A 81 -10.613 -0.258 -2.031 1.00 0.00 C ATOM 1141 CG2 VAL A 81 -11.042 2.226 -1.904 1.00 0.00 C ATOM 0 H VAL A 81 -10.558 2.830 -4.715 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.143 -0.024 -4.462 1.00 0.00 H new ATOM 0 HB VAL A 81 -12.481 0.727 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.696 -0.273 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.993 -1.196 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.567 -0.138 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.114 2.107 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.019 2.488 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.716 3.019 -2.227 1.00 0.00 H new ATOM 1151 N VAL A 82 -13.070 0.900 -5.823 1.00 0.00 N ATOM 1152 CA VAL A 82 -14.450 0.985 -6.252 1.00 0.00 C ATOM 1153 C VAL A 82 -15.266 0.027 -5.368 1.00 0.00 C ATOM 1154 O VAL A 82 -14.746 -0.994 -4.908 1.00 0.00 O ATOM 1155 CB VAL A 82 -14.494 0.751 -7.776 1.00 0.00 C ATOM 1156 CG1 VAL A 82 -14.198 -0.692 -8.190 1.00 0.00 C ATOM 1157 CG2 VAL A 82 -15.817 1.232 -8.373 1.00 0.00 C ATOM 0 H VAL A 82 -12.459 0.371 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.912 1.963 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 82 -13.683 1.352 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.248 -0.777 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.201 -0.971 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -14.934 -1.358 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -15.817 1.053 -9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -16.642 0.687 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -15.936 2.299 -8.182 1.00 0.00 H new ATOM 1167 N ASP A 83 -16.527 0.368 -5.118 1.00 0.00 N ATOM 1168 CA ASP A 83 -17.546 -0.495 -4.545 1.00 0.00 C ATOM 1169 C ASP A 83 -18.321 -1.124 -5.700 1.00 0.00 C ATOM 1170 O ASP A 83 -18.360 -0.572 -6.805 1.00 0.00 O ATOM 1171 CB ASP A 83 -18.399 0.340 -3.586 1.00 0.00 C ATOM 1172 CG ASP A 83 -19.900 0.129 -3.734 1.00 0.00 C ATOM 1173 OD1 ASP A 83 -20.451 -0.829 -3.157 1.00 0.00 O ATOM 1174 OD2 ASP A 83 -20.523 0.954 -4.428 1.00 0.00 O ATOM 0 H ASP A 83 -16.880 1.303 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 83 -17.136 -1.314 -3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -18.110 0.103 -2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -18.175 1.395 -3.744 1.00 0.00 H new ATOM 1179 N GLY A 84 -18.907 -2.295 -5.491 1.00 0.00 N ATOM 1180 CA GLY A 84 -19.535 -3.083 -6.544 1.00 0.00 C ATOM 1181 C GLY A 84 -20.974 -3.442 -6.236 1.00 0.00 C ATOM 1182 O GLY A 84 -21.502 -4.323 -6.914 1.00 0.00 O ATOM 0 H GLY A 84 -18.961 -2.731 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.498 -2.525 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.963 -3.998 -6.696 1.00 0.00 H new ATOM 1186 N GLU A 85 -21.593 -2.816 -5.233 1.00 0.00 N ATOM 1187 CA GLU A 85 -22.952 -3.166 -4.820 1.00 0.00 C ATOM 1188 C GLU A 85 -23.846 -1.923 -4.796 1.00 0.00 C ATOM 1189 O GLU A 85 -23.436 -0.818 -5.177 1.00 0.00 O ATOM 1190 CB GLU A 85 -22.950 -3.906 -3.471 1.00 0.00 C ATOM 1191 CG GLU A 85 -21.945 -5.055 -3.324 1.00 0.00 C ATOM 1192 CD GLU A 85 -21.967 -6.124 -4.420 1.00 0.00 C ATOM 1193 OE1 GLU A 85 -23.038 -6.487 -4.954 1.00 0.00 O ATOM 1194 OE2 GLU A 85 -20.874 -6.677 -4.701 1.00 0.00 O ATOM 0 H GLU A 85 -21.172 -2.062 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 85 -23.370 -3.853 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -22.755 -3.179 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.950 -4.303 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.943 -4.629 -3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -22.123 -5.544 -2.366 1.00 0.00 H new ATOM 1201 N ASP A 86 -25.109 -2.106 -4.418 1.00 0.00 N ATOM 1202 CA ASP A 86 -26.174 -1.134 -4.515 1.00 0.00 C ATOM 1203 C ASP A 86 -27.349 -1.686 -3.726 1.00 0.00 C ATOM 1204 O ASP A 86 -27.745 -2.838 -3.887 1.00 0.00 O ATOM 1205 CB ASP A 86 -26.561 -0.826 -5.973 1.00 0.00 C ATOM 1206 CG ASP A 86 -27.136 -1.982 -6.800 1.00 0.00 C ATOM 1207 OD1 ASP A 86 -26.566 -3.098 -6.827 1.00 0.00 O ATOM 1208 OD2 ASP A 86 -28.061 -1.698 -7.592 1.00 0.00 O ATOM 0 H ASP A 86 -25.425 -2.988 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 86 -25.845 -0.180 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -27.293 -0.018 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -25.676 -0.450 -6.486 1.00 0.00 H new ATOM 1213 N GLY A 87 -27.844 -0.898 -2.782 1.00 0.00 N ATOM 1214 CA GLY A 87 -29.055 -1.199 -2.025 1.00 0.00 C ATOM 1215 C GLY A 87 -28.799 -2.099 -0.818 1.00 0.00 C ATOM 1216 O GLY A 87 -29.683 -2.232 0.033 1.00 0.00 O ATOM 0 H GLY A 87 -27.409 -0.015 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -29.506 -0.266 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -29.777 -1.681 -2.683 1.00 0.00 H new ATOM 1220 N VAL A 88 -27.586 -2.644 -0.682 1.00 0.00 N ATOM 1221 CA VAL A 88 -27.113 -3.313 0.523 1.00 0.00 C ATOM 1222 C VAL A 88 -27.169 -2.348 1.718 1.00 0.00 C ATOM 1223 O VAL A 88 -27.310 -1.132 1.550 1.00 0.00 O ATOM 1224 CB VAL A 88 -25.707 -3.903 0.285 1.00 0.00 C ATOM 1225 CG1 VAL A 88 -25.738 -4.992 -0.798 1.00 0.00 C ATOM 1226 CG2 VAL A 88 -24.662 -2.844 -0.090 1.00 0.00 C ATOM 0 H VAL A 88 -26.892 -2.629 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 88 -27.767 -4.151 0.765 1.00 0.00 H new ATOM 0 HB VAL A 88 -25.407 -4.339 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -24.733 -5.389 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -26.404 -5.796 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -26.098 -4.564 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -23.696 -3.325 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -24.967 -2.341 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -24.580 -2.113 0.714 1.00 0.00 H new ATOM 1236 N VAL A 89 -27.058 -2.869 2.940 1.00 0.00 N ATOM 1237 CA VAL A 89 -27.121 -2.076 4.160 1.00 0.00 C ATOM 1238 C VAL A 89 -25.841 -2.382 4.934 1.00 0.00 C ATOM 1239 O VAL A 89 -25.819 -3.211 5.855 1.00 0.00 O ATOM 1240 CB VAL A 89 -28.432 -2.338 4.928 1.00 0.00 C ATOM 1241 CG1 VAL A 89 -28.540 -1.354 6.097 1.00 0.00 C ATOM 1242 CG2 VAL A 89 -29.705 -2.194 4.079 1.00 0.00 C ATOM 0 H VAL A 89 -26.920 -3.865 3.109 1.00 0.00 H new ATOM 0 HA VAL A 89 -27.158 -1.004 3.964 1.00 0.00 H new ATOM 0 HB VAL A 89 -28.376 -3.376 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -29.466 -1.537 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -27.691 -1.491 6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -28.539 -0.333 5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -30.580 -2.395 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -29.766 -1.180 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -29.674 -2.904 3.253 1.00 0.00 H new ATOM 1252 N ASN A 90 -24.761 -1.747 4.487 1.00 0.00 N ATOM 1253 CA ASN A 90 -23.392 -2.014 4.908 1.00 0.00 C ATOM 1254 C ASN A 90 -22.932 -0.945 5.893 1.00 0.00 C ATOM 1255 O ASN A 90 -23.698 -0.036 6.223 1.00 0.00 O ATOM 1256 CB ASN A 90 -22.490 -2.125 3.670 1.00 0.00 C ATOM 1257 CG ASN A 90 -22.514 -3.549 3.133 1.00 0.00 C ATOM 1258 OD1 ASN A 90 -23.566 -4.172 3.028 1.00 0.00 O ATOM 1259 ND2 ASN A 90 -21.366 -4.102 2.812 1.00 0.00 N ATOM 0 H ASN A 90 -24.820 -1.002 3.793 1.00 0.00 H new ATOM 0 HA ASN A 90 -23.333 -2.966 5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -22.829 -1.432 2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -21.469 -1.842 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -21.341 -5.063 2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -20.500 -3.571 2.905 1.00 0.00 H new ATOM 1266 N GLU A 91 -21.702 -1.046 6.391 1.00 0.00 N ATOM 1267 CA GLU A 91 -21.005 0.055 7.037 1.00 0.00 C ATOM 1268 C GLU A 91 -19.862 0.544 6.136 1.00 0.00 C ATOM 1269 O GLU A 91 -19.448 -0.159 5.213 1.00 0.00 O ATOM 1270 CB GLU A 91 -20.489 -0.379 8.423 1.00 0.00 C ATOM 1271 CG GLU A 91 -21.503 -0.065 9.531 1.00 0.00 C ATOM 1272 CD GLU A 91 -20.798 0.318 10.836 1.00 0.00 C ATOM 1273 OE1 GLU A 91 -20.285 -0.591 11.533 1.00 0.00 O ATOM 1274 OE2 GLU A 91 -20.731 1.521 11.173 1.00 0.00 O ATOM 0 H GLU A 91 -21.157 -1.908 6.355 1.00 0.00 H new ATOM 0 HA GLU A 91 -21.696 0.884 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.279 -1.449 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.548 0.129 8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -22.152 0.751 9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -22.141 -0.933 9.700 1.00 0.00 H new ATOM 1281 N PRO A 92 -19.334 1.752 6.387 1.00 0.00 N ATOM 1282 CA PRO A 92 -18.267 2.324 5.581 1.00 0.00 C ATOM 1283 C PRO A 92 -16.881 1.817 5.992 1.00 0.00 C ATOM 1284 O PRO A 92 -16.729 1.167 7.031 1.00 0.00 O ATOM 1285 CB PRO A 92 -18.379 3.819 5.857 1.00 0.00 C ATOM 1286 CG PRO A 92 -18.761 3.841 7.331 1.00 0.00 C ATOM 1287 CD PRO A 92 -19.785 2.716 7.385 1.00 0.00 C ATOM 0 HA PRO A 92 -18.369 2.055 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.440 4.340 5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.136 4.294 5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.907 3.652 7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.185 4.799 7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -19.827 2.267 8.377 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -20.786 3.082 7.157 1.00 0.00 H new ATOM 1295 N MET A 93 -15.846 2.191 5.229 1.00 0.00 N ATOM 1296 CA MET A 93 -14.466 1.826 5.510 1.00 0.00 C ATOM 1297 C MET A 93 -13.481 2.947 5.152 1.00 0.00 C ATOM 1298 O MET A 93 -13.796 3.858 4.377 1.00 0.00 O ATOM 1299 CB MET A 93 -14.141 0.498 4.807 1.00 0.00 C ATOM 1300 CG MET A 93 -13.913 0.588 3.292 1.00 0.00 C ATOM 1301 SD MET A 93 -12.738 -0.614 2.589 1.00 0.00 S ATOM 1302 CE MET A 93 -11.233 -0.285 3.545 1.00 0.00 C ATOM 0 H MET A 93 -15.953 2.762 4.391 1.00 0.00 H new ATOM 0 HA MET A 93 -14.350 1.683 6.584 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.248 0.074 5.266 1.00 0.00 H new ATOM 0 HB3 MET A 93 -14.957 -0.200 4.993 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.873 0.463 2.792 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.560 1.592 3.057 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.406 -0.863 3.132 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.994 0.777 3.494 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.392 -0.571 4.585 1.00 0.00 H new ATOM 1312 N GLN A 94 -12.260 2.855 5.680 1.00 0.00 N ATOM 1313 CA GLN A 94 -11.164 3.800 5.484 1.00 0.00 C ATOM 1314 C GLN A 94 -9.876 3.035 5.168 1.00 0.00 C ATOM 1315 O GLN A 94 -9.766 1.843 5.473 1.00 0.00 O ATOM 1316 CB GLN A 94 -10.971 4.649 6.751 1.00 0.00 C ATOM 1317 CG GLN A 94 -12.100 5.652 7.010 1.00 0.00 C ATOM 1318 CD GLN A 94 -11.883 6.350 8.351 1.00 0.00 C ATOM 1319 OE1 GLN A 94 -10.928 7.111 8.509 1.00 0.00 O ATOM 1320 NE2 GLN A 94 -12.718 6.090 9.343 1.00 0.00 N ATOM 0 H GLN A 94 -11.997 2.079 6.287 1.00 0.00 H new ATOM 0 HA GLN A 94 -11.404 4.459 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.885 3.985 7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.029 5.191 6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -12.133 6.390 6.208 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.061 5.138 7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -13.504 5.457 9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -12.576 6.522 10.256 1.00 0.00 H new ATOM 1329 N TRP A 95 -8.889 3.736 4.608 1.00 0.00 N ATOM 1330 CA TRP A 95 -7.521 3.268 4.390 1.00 0.00 C ATOM 1331 C TRP A 95 -6.579 4.304 4.996 1.00 0.00 C ATOM 1332 O TRP A 95 -6.884 5.496 4.947 1.00 0.00 O ATOM 1333 CB TRP A 95 -7.231 3.115 2.876 1.00 0.00 C ATOM 1334 CG TRP A 95 -7.379 1.752 2.264 1.00 0.00 C ATOM 1335 CD1 TRP A 95 -8.024 0.707 2.831 1.00 0.00 C ATOM 1336 CD2 TRP A 95 -6.741 1.210 1.056 1.00 0.00 C ATOM 1337 NE1 TRP A 95 -7.884 -0.414 2.046 1.00 0.00 N ATOM 1338 CE2 TRP A 95 -7.044 -0.185 0.984 1.00 0.00 C ATOM 1339 CE3 TRP A 95 -5.843 1.705 0.078 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 -6.470 -1.044 0.040 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 -5.236 0.840 -0.855 1.00 0.00 C ATOM 1342 CH2 TRP A 95 -5.531 -0.535 -0.866 1.00 0.00 C ATOM 0 H TRP A 95 -9.029 4.691 4.279 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.379 2.293 4.857 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.892 3.796 2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -6.211 3.453 2.696 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.569 0.747 3.763 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.346 -1.304 2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.620 2.761 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.748 -2.087 0.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.534 1.239 -1.572 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.038 -1.192 -1.567 1.00 0.00 H new ATOM 1353 N VAL A 96 -5.406 3.880 5.462 1.00 0.00 N ATOM 1354 CA VAL A 96 -4.246 4.746 5.669 1.00 0.00 C ATOM 1355 C VAL A 96 -3.104 4.053 4.943 1.00 0.00 C ATOM 1356 O VAL A 96 -2.993 2.830 5.023 1.00 0.00 O ATOM 1357 CB VAL A 96 -3.908 4.971 7.158 1.00 0.00 C ATOM 1358 CG1 VAL A 96 -2.902 6.123 7.301 1.00 0.00 C ATOM 1359 CG2 VAL A 96 -5.132 5.260 8.042 1.00 0.00 C ATOM 0 H VAL A 96 -5.231 2.906 5.711 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.442 5.747 5.285 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.481 4.032 7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.670 6.274 8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.988 5.878 6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.333 7.036 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.810 5.406 9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.633 6.161 7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.823 4.418 7.994 1.00 0.00 H new ATOM 1369 N VAL A 97 -2.319 4.806 4.180 1.00 0.00 N ATOM 1370 CA VAL A 97 -1.356 4.272 3.241 1.00 0.00 C ATOM 1371 C VAL A 97 -0.061 5.069 3.397 1.00 0.00 C ATOM 1372 O VAL A 97 0.299 5.900 2.562 1.00 0.00 O ATOM 1373 CB VAL A 97 -1.984 4.270 1.832 1.00 0.00 C ATOM 1374 CG1 VAL A 97 -2.900 3.059 1.651 1.00 0.00 C ATOM 1375 CG2 VAL A 97 -2.785 5.534 1.483 1.00 0.00 C ATOM 0 H VAL A 97 -2.340 5.826 4.202 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.092 3.232 3.431 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.132 4.232 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.333 3.076 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.323 2.144 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.698 3.093 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.188 5.442 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.604 5.653 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.131 6.405 1.534 1.00 0.00 H new ATOM 1385 N THR A 98 0.612 4.862 4.527 1.00 0.00 N ATOM 1386 CA THR A 98 1.779 5.633 4.914 1.00 0.00 C ATOM 1387 C THR A 98 2.988 4.986 4.257 1.00 0.00 C ATOM 1388 O THR A 98 3.120 3.756 4.244 1.00 0.00 O ATOM 1389 CB THR A 98 1.933 5.647 6.441 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.686 5.887 7.066 1.00 0.00 O ATOM 1391 CG2 THR A 98 2.881 6.752 6.904 1.00 0.00 C ATOM 0 H THR A 98 0.355 4.144 5.204 1.00 0.00 H new ATOM 0 HA THR A 98 1.679 6.669 4.590 1.00 0.00 H new ATOM 0 HB THR A 98 2.332 4.671 6.717 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.803 5.891 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.964 6.729 7.991 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.865 6.596 6.462 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.492 7.721 6.590 1.00 0.00 H new ATOM 1399 N VAL A 99 3.886 5.815 3.740 1.00 0.00 N ATOM 1400 CA VAL A 99 5.060 5.374 3.015 1.00 0.00 C ATOM 1401 C VAL A 99 6.256 5.750 3.867 1.00 0.00 C ATOM 1402 O VAL A 99 6.448 6.927 4.198 1.00 0.00 O ATOM 1403 CB VAL A 99 5.092 5.997 1.607 1.00 0.00 C ATOM 1404 CG1 VAL A 99 6.233 5.407 0.790 1.00 0.00 C ATOM 1405 CG2 VAL A 99 3.751 5.769 0.893 1.00 0.00 C ATOM 0 H VAL A 99 3.813 6.829 3.817 1.00 0.00 H new ATOM 0 HA VAL A 99 5.061 4.297 2.848 1.00 0.00 H new ATOM 0 HB VAL A 99 5.256 7.070 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.241 5.858 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.181 5.610 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.095 4.330 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.788 6.215 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.563 4.699 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.949 6.232 1.468 1.00 0.00 H new ATOM 1415 N TYR A 100 7.035 4.744 4.247 1.00 0.00 N ATOM 1416 CA TYR A 100 8.331 4.944 4.848 1.00 0.00 C ATOM 1417 C TYR A 100 9.395 4.647 3.801 1.00 0.00 C ATOM 1418 O TYR A 100 9.189 3.932 2.823 1.00 0.00 O ATOM 1419 CB TYR A 100 8.498 4.097 6.117 1.00 0.00 C ATOM 1420 CG TYR A 100 7.487 4.423 7.210 1.00 0.00 C ATOM 1421 CD1 TYR A 100 6.177 3.904 7.173 1.00 0.00 C ATOM 1422 CD2 TYR A 100 7.856 5.282 8.261 1.00 0.00 C ATOM 1423 CE1 TYR A 100 5.223 4.307 8.128 1.00 0.00 C ATOM 1424 CE2 TYR A 100 6.910 5.691 9.213 1.00 0.00 C ATOM 1425 CZ TYR A 100 5.576 5.247 9.122 1.00 0.00 C ATOM 1426 OH TYR A 100 4.650 5.726 9.991 1.00 0.00 O ATOM 0 H TYR A 100 6.776 3.763 4.142 1.00 0.00 H new ATOM 0 HA TYR A 100 8.437 5.979 5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.408 3.043 5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.504 4.242 6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.903 3.193 6.408 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.876 5.630 8.336 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.224 3.898 8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.205 6.348 10.018 1.00 0.00 H new ATOM 0 HH TYR A 100 4.909 6.625 10.282 1.00 0.00 H new ATOM 1436 N LYS A 101 10.559 5.220 4.031 1.00 0.00 N ATOM 1437 CA LYS A 101 11.820 5.061 3.357 1.00 0.00 C ATOM 1438 C LYS A 101 12.782 4.467 4.396 1.00 0.00 C ATOM 1439 O LYS A 101 12.392 4.304 5.556 1.00 0.00 O ATOM 1440 CB LYS A 101 12.194 6.450 2.841 1.00 0.00 C ATOM 1441 CG LYS A 101 13.273 6.336 1.770 1.00 0.00 C ATOM 1442 CD LYS A 101 13.348 7.584 0.893 1.00 0.00 C ATOM 1443 CE LYS A 101 14.482 8.552 1.256 1.00 0.00 C ATOM 1444 NZ LYS A 101 14.399 9.104 2.625 1.00 0.00 N ATOM 0 H LYS A 101 10.647 5.892 4.793 1.00 0.00 H new ATOM 0 HA LYS A 101 11.826 4.389 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.313 6.944 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.551 7.069 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.239 6.170 2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.072 5.466 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.469 7.276 -0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.399 8.116 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.435 8.035 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.481 9.377 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.200 9.747 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.507 9.627 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.432 8.327 3.315 1.00 0.00 H new ATOM 1458 N ASN A 102 14.018 4.156 3.997 1.00 0.00 N ATOM 1459 CA ASN A 102 15.139 3.635 4.774 1.00 0.00 C ATOM 1460 C ASN A 102 15.292 4.473 6.052 1.00 0.00 C ATOM 1461 O ASN A 102 15.922 5.529 6.059 1.00 0.00 O ATOM 1462 CB ASN A 102 16.432 3.542 3.946 1.00 0.00 C ATOM 1463 CG ASN A 102 17.296 4.787 3.760 1.00 0.00 C ATOM 1464 OD1 ASN A 102 18.248 5.002 4.498 1.00 0.00 O ATOM 1465 ND2 ASN A 102 17.053 5.591 2.733 1.00 0.00 N ATOM 0 H ASN A 102 14.282 4.277 3.019 1.00 0.00 H new ATOM 0 HA ASN A 102 14.928 2.606 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 102 17.058 2.775 4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 102 16.160 3.182 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 102 17.661 6.391 2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 102 16.259 5.409 2.120 1.00 0.00 H new ATOM 1472 N GLY A 103 14.574 4.080 7.092 1.00 0.00 N ATOM 1473 CA GLY A 103 14.427 4.824 8.343 1.00 0.00 C ATOM 1474 C GLY A 103 13.983 6.286 8.170 1.00 0.00 C ATOM 1475 O GLY A 103 14.720 7.187 8.565 1.00 0.00 O ATOM 0 H GLY A 103 14.056 3.201 7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.701 4.310 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.379 4.807 8.874 1.00 0.00 H new ATOM 1479 N LYS A 104 12.827 6.568 7.551 1.00 0.00 N ATOM 1480 CA LYS A 104 11.995 7.748 7.840 1.00 0.00 C ATOM 1481 C LYS A 104 10.641 7.606 7.160 1.00 0.00 C ATOM 1482 O LYS A 104 10.561 6.984 6.109 1.00 0.00 O ATOM 1483 CB LYS A 104 12.643 9.058 7.362 1.00 0.00 C ATOM 1484 CG LYS A 104 12.925 10.001 8.539 1.00 0.00 C ATOM 1485 CD LYS A 104 11.662 10.733 9.005 1.00 0.00 C ATOM 1486 CE LYS A 104 11.290 11.916 8.101 1.00 0.00 C ATOM 1487 NZ LYS A 104 9.856 12.253 8.206 1.00 0.00 N ATOM 0 H LYS A 104 12.436 5.972 6.822 1.00 0.00 H new ATOM 0 HA LYS A 104 11.885 7.797 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.574 8.837 6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.985 9.552 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.340 9.430 9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.679 10.731 8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.830 10.029 9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.811 11.093 10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.889 12.785 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.532 11.674 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.725 13.270 8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.319 11.711 7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.512 12.016 9.159 1.00 0.00 H new ATOM 1501 N GLU A 105 9.603 8.246 7.683 1.00 0.00 N ATOM 1502 CA GLU A 105 8.329 8.463 6.996 1.00 0.00 C ATOM 1503 C GLU A 105 8.524 9.529 5.914 1.00 0.00 C ATOM 1504 O GLU A 105 9.271 10.479 6.158 1.00 0.00 O ATOM 1505 CB GLU A 105 7.309 8.938 8.038 1.00 0.00 C ATOM 1506 CG GLU A 105 5.865 8.656 7.615 1.00 0.00 C ATOM 1507 CD GLU A 105 4.904 9.036 8.745 1.00 0.00 C ATOM 1508 OE1 GLU A 105 4.863 8.304 9.761 1.00 0.00 O ATOM 1509 OE2 GLU A 105 4.266 10.109 8.657 1.00 0.00 O ATOM 0 H GLU A 105 9.621 8.641 8.623 1.00 0.00 H new ATOM 0 HA GLU A 105 7.974 7.547 6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.509 8.444 8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.434 10.008 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.624 9.222 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.749 7.601 7.368 1.00 0.00 H new ATOM 1516 N ILE A 106 7.872 9.404 4.753 1.00 0.00 N ATOM 1517 CA ILE A 106 7.973 10.369 3.651 1.00 0.00 C ATOM 1518 C ILE A 106 6.609 10.716 3.026 1.00 0.00 C ATOM 1519 O ILE A 106 6.552 11.405 2.008 1.00 0.00 O ATOM 1520 CB ILE A 106 8.952 9.845 2.578 1.00 0.00 C ATOM 1521 CG1 ILE A 106 8.474 8.497 1.991 1.00 0.00 C ATOM 1522 CG2 ILE A 106 10.395 9.738 3.108 1.00 0.00 C ATOM 1523 CD1 ILE A 106 8.856 8.360 0.521 1.00 0.00 C ATOM 0 H ILE A 106 7.252 8.621 4.549 1.00 0.00 H new ATOM 0 HA ILE A 106 8.359 11.297 4.072 1.00 0.00 H new ATOM 0 HB ILE A 106 8.960 10.580 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.911 7.676 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.392 8.417 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 106 11.046 9.365 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.739 10.722 3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.422 9.051 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.504 7.401 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.397 9.167 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 106 9.940 8.415 0.420 1.00 0.00 H new ATOM 1535 N GLU A 107 5.498 10.227 3.576 1.00 0.00 N ATOM 1536 CA GLU A 107 4.157 10.443 3.029 1.00 0.00 C ATOM 1537 C GLU A 107 3.150 10.370 4.172 1.00 0.00 C ATOM 1538 O GLU A 107 3.477 9.780 5.206 1.00 0.00 O ATOM 1539 CB GLU A 107 3.887 9.321 2.024 1.00 0.00 C ATOM 1540 CG GLU A 107 2.527 9.320 1.331 1.00 0.00 C ATOM 1541 CD GLU A 107 2.296 10.557 0.473 1.00 0.00 C ATOM 1542 OE1 GLU A 107 2.073 11.649 1.055 1.00 0.00 O ATOM 1543 OE2 GLU A 107 2.314 10.381 -0.771 1.00 0.00 O ATOM 0 H GLU A 107 5.503 9.662 4.425 1.00 0.00 H new ATOM 0 HA GLU A 107 4.074 11.414 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.658 9.363 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.004 8.369 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.444 8.431 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.742 9.255 2.084 1.00 0.00 H new ATOM 1550 N LYS A 108 1.939 10.918 4.011 1.00 0.00 N ATOM 1551 CA LYS A 108 0.848 10.665 4.951 1.00 0.00 C ATOM 1552 C LYS A 108 -0.510 10.930 4.297 1.00 0.00 C ATOM 1553 O LYS A 108 -1.061 12.025 4.453 1.00 0.00 O ATOM 1554 CB LYS A 108 1.037 11.500 6.238 1.00 0.00 C ATOM 1555 CG LYS A 108 0.327 10.816 7.409 1.00 0.00 C ATOM 1556 CD LYS A 108 0.260 11.731 8.635 1.00 0.00 C ATOM 1557 CE LYS A 108 -0.140 10.961 9.900 1.00 0.00 C ATOM 1558 NZ LYS A 108 -1.303 10.067 9.704 1.00 0.00 N ATOM 0 H LYS A 108 1.694 11.538 3.239 1.00 0.00 H new ATOM 0 HA LYS A 108 0.870 9.612 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.099 11.610 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.636 12.503 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.682 10.533 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.852 9.897 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.230 12.204 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.459 12.530 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.710 10.369 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.369 11.674 10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.625 9.709 10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.074 10.596 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.028 9.267 9.099 1.00 0.00 H new ATOM 1572 N LYS A 109 -1.097 9.946 3.611 1.00 0.00 N ATOM 1573 CA LYS A 109 -2.494 10.026 3.171 1.00 0.00 C ATOM 1574 C LYS A 109 -3.286 8.826 3.664 1.00 0.00 C ATOM 1575 O LYS A 109 -2.736 7.758 3.945 1.00 0.00 O ATOM 1576 CB LYS A 109 -2.628 10.209 1.642 1.00 0.00 C ATOM 1577 CG LYS A 109 -1.784 9.239 0.804 1.00 0.00 C ATOM 1578 CD LYS A 109 -2.503 8.634 -0.423 1.00 0.00 C ATOM 1579 CE LYS A 109 -2.303 9.376 -1.753 1.00 0.00 C ATOM 1580 NZ LYS A 109 -2.672 10.802 -1.700 1.00 0.00 N ATOM 0 H LYS A 109 -0.625 9.081 3.347 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.920 10.922 3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -3.676 10.090 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.345 11.230 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.891 9.762 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.449 8.425 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.163 7.606 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.571 8.593 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.258 9.292 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.896 8.885 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.511 11.237 -2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.676 10.891 -1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.089 11.285 -0.987 1.00 0.00 H new ATOM 1594 N SER A 110 -4.591 9.030 3.717 1.00 0.00 N ATOM 1595 CA SER A 110 -5.637 8.130 4.083 1.00 0.00 C ATOM 1596 C SER A 110 -6.850 8.461 3.217 1.00 0.00 C ATOM 1597 O SER A 110 -6.930 9.565 2.673 1.00 0.00 O ATOM 1598 CB SER A 110 -5.892 8.323 5.580 1.00 0.00 C ATOM 1599 OG SER A 110 -5.446 9.552 6.141 1.00 0.00 O ATOM 0 H SER A 110 -4.972 9.944 3.473 1.00 0.00 H new ATOM 0 HA SER A 110 -5.391 7.081 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.963 8.234 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.410 7.506 6.117 1.00 0.00 H new ATOM 0 HG SER A 110 -5.659 9.572 7.097 1.00 0.00 H new ATOM 1605 N LEU A 111 -7.790 7.525 3.083 1.00 0.00 N ATOM 1606 CA LEU A 111 -8.978 7.669 2.251 1.00 0.00 C ATOM 1607 C LEU A 111 -10.201 7.389 3.112 1.00 0.00 C ATOM 1608 O LEU A 111 -10.114 6.629 4.083 1.00 0.00 O ATOM 1609 CB LEU A 111 -8.962 6.682 1.070 1.00 0.00 C ATOM 1610 CG LEU A 111 -7.674 6.618 0.224 1.00 0.00 C ATOM 1611 CD1 LEU A 111 -7.853 5.528 -0.838 1.00 0.00 C ATOM 1612 CD2 LEU A 111 -7.327 7.943 -0.464 1.00 0.00 C ATOM 0 H LEU A 111 -7.742 6.626 3.562 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.002 8.681 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.160 5.684 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.790 6.934 0.407 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.848 6.396 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.953 5.464 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.028 4.569 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.705 5.774 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.410 7.824 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.140 8.231 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.184 8.718 0.289 1.00 0.00 H new ATOM 1624 N VAL A 112 -11.349 7.946 2.730 1.00 0.00 N ATOM 1625 CA VAL A 112 -12.596 7.801 3.457 1.00 0.00 C ATOM 1626 C VAL A 112 -13.711 7.534 2.458 1.00 0.00 C ATOM 1627 O VAL A 112 -13.860 8.258 1.469 1.00 0.00 O ATOM 1628 CB VAL A 112 -12.825 9.043 4.338 1.00 0.00 C ATOM 1629 CG1 VAL A 112 -12.803 10.379 3.575 1.00 0.00 C ATOM 1630 CG2 VAL A 112 -14.129 8.930 5.131 1.00 0.00 C ATOM 0 H VAL A 112 -11.434 8.520 1.891 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.570 6.951 4.139 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.973 9.058 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -12.972 11.199 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -11.834 10.507 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.587 10.379 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -14.261 9.822 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -14.967 8.836 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -14.088 8.051 5.775 1.00 0.00 H new ATOM 1640 N PHE A 113 -14.500 6.503 2.737 1.00 0.00 N ATOM 1641 CA PHE A 113 -15.653 6.125 1.951 1.00 0.00 C ATOM 1642 C PHE A 113 -16.848 5.955 2.885 1.00 0.00 C ATOM 1643 O PHE A 113 -16.737 6.113 4.107 1.00 0.00 O ATOM 1644 CB PHE A 113 -15.284 4.902 1.100 1.00 0.00 C ATOM 1645 CG PHE A 113 -14.365 5.283 -0.049 1.00 0.00 C ATOM 1646 CD1 PHE A 113 -14.910 5.838 -1.221 1.00 0.00 C ATOM 1647 CD2 PHE A 113 -12.967 5.173 0.077 1.00 0.00 C ATOM 1648 CE1 PHE A 113 -14.065 6.260 -2.260 1.00 0.00 C ATOM 1649 CE2 PHE A 113 -12.124 5.561 -0.977 1.00 0.00 C ATOM 1650 CZ PHE A 113 -12.676 6.098 -2.150 1.00 0.00 C ATOM 0 H PHE A 113 -14.345 5.894 3.540 1.00 0.00 H new ATOM 0 HA PHE A 113 -15.955 6.892 1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -14.796 4.155 1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -16.191 4.444 0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -15.980 5.940 -1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -12.540 4.787 0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -14.486 6.711 -3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.054 5.446 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.032 6.386 -2.968 1.00 0.00 H new ATOM 1660 N ARG A 114 -18.016 5.736 2.290 1.00 0.00 N ATOM 1661 CA ARG A 114 -19.335 5.813 2.911 1.00 0.00 C ATOM 1662 C ARG A 114 -20.230 4.645 2.488 1.00 0.00 C ATOM 1663 O ARG A 114 -21.439 4.713 2.710 1.00 0.00 O ATOM 1664 CB ARG A 114 -20.015 7.116 2.498 1.00 0.00 C ATOM 1665 CG ARG A 114 -19.198 8.393 2.748 1.00 0.00 C ATOM 1666 CD ARG A 114 -20.082 9.641 2.894 1.00 0.00 C ATOM 1667 NE ARG A 114 -21.231 9.627 1.971 1.00 0.00 N ATOM 1668 CZ ARG A 114 -22.460 10.070 2.245 1.00 0.00 C ATOM 1669 NH1 ARG A 114 -22.693 10.868 3.286 1.00 0.00 N ATOM 1670 NH2 ARG A 114 -23.450 9.683 1.452 1.00 0.00 N ATOM 0 H ARG A 114 -18.071 5.485 1.303 1.00 0.00 H new ATOM 0 HA ARG A 114 -19.194 5.771 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -20.255 7.060 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -20.960 7.199 3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -18.601 8.267 3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -18.500 8.541 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -20.444 9.708 3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -19.482 10.532 2.709 1.00 0.00 H new ATOM 0 HE ARG A 114 -21.073 9.244 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -21.924 11.153 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -23.640 11.194 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -23.260 9.066 0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -24.402 10.002 1.632 1.00 0.00 H new ATOM 1684 N ASP A 115 -19.642 3.627 1.856 1.00 0.00 N ATOM 1685 CA ASP A 115 -20.295 2.576 1.065 1.00 0.00 C ATOM 1686 C ASP A 115 -21.004 3.157 -0.180 1.00 0.00 C ATOM 1687 O ASP A 115 -21.021 4.381 -0.363 1.00 0.00 O ATOM 1688 CB ASP A 115 -21.151 1.693 1.999 1.00 0.00 C ATOM 1689 CG ASP A 115 -22.012 0.677 1.257 1.00 0.00 C ATOM 1690 OD1 ASP A 115 -21.426 -0.123 0.493 1.00 0.00 O ATOM 1691 OD2 ASP A 115 -23.253 0.748 1.388 1.00 0.00 O ATOM 0 H ASP A 115 -18.630 3.505 1.884 1.00 0.00 H new ATOM 0 HA ASP A 115 -19.559 1.902 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -20.493 1.165 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -21.796 2.333 2.600 1.00 0.00 H new ATOM 1696 N GLY A 116 -21.472 2.289 -1.085 1.00 0.00 N ATOM 1697 CA GLY A 116 -22.338 2.567 -2.229 1.00 0.00 C ATOM 1698 C GLY A 116 -21.876 3.691 -3.145 1.00 0.00 C ATOM 1699 O GLY A 116 -22.647 4.637 -3.352 1.00 0.00 O ATOM 0 H GLY A 116 -21.235 1.299 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -22.433 1.656 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -23.333 2.811 -1.858 1.00 0.00 H new ATOM 1703 N LYS A 117 -20.649 3.636 -3.669 1.00 0.00 N ATOM 1704 CA LYS A 117 -20.084 4.701 -4.489 1.00 0.00 C ATOM 1705 C LYS A 117 -19.007 4.188 -5.441 1.00 0.00 C ATOM 1706 O LYS A 117 -17.994 3.635 -5.001 1.00 0.00 O ATOM 1707 CB LYS A 117 -19.504 5.794 -3.573 1.00 0.00 C ATOM 1708 CG LYS A 117 -20.357 7.061 -3.491 1.00 0.00 C ATOM 1709 CD LYS A 117 -20.242 7.814 -4.816 1.00 0.00 C ATOM 1710 CE LYS A 117 -21.094 9.079 -4.827 1.00 0.00 C ATOM 1711 NZ LYS A 117 -21.156 9.621 -6.193 1.00 0.00 N ATOM 0 H LYS A 117 -20.019 2.845 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 117 -20.885 5.112 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -19.383 5.385 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -18.509 6.062 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -21.397 6.804 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -20.020 7.691 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -19.199 8.077 -4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.551 7.161 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -22.099 8.856 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -20.670 9.821 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -21.737 10.483 -6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -20.195 9.849 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -21.579 8.914 -6.828 1.00 0.00 H new ATOM 1725 N GLU A 118 -19.187 4.480 -6.725 1.00 0.00 N ATOM 1726 CA GLU A 118 -18.153 4.492 -7.754 1.00 0.00 C ATOM 1727 C GLU A 118 -17.002 5.440 -7.372 1.00 0.00 C ATOM 1728 O GLU A 118 -17.198 6.391 -6.603 1.00 0.00 O ATOM 1729 CB GLU A 118 -18.788 4.921 -9.096 1.00 0.00 C ATOM 1730 CG GLU A 118 -19.216 6.405 -9.081 1.00 0.00 C ATOM 1731 CD GLU A 118 -19.973 6.895 -10.317 1.00 0.00 C ATOM 1732 OE1 GLU A 118 -20.533 6.092 -11.093 1.00 0.00 O ATOM 1733 OE2 GLU A 118 -20.132 8.127 -10.463 1.00 0.00 O ATOM 0 H GLU A 118 -20.105 4.727 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 118 -17.732 3.491 -7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -18.075 4.757 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -19.656 4.295 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -19.842 6.574 -8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -18.324 7.019 -8.958 1.00 0.00 H new ATOM 1740 N ILE A 119 -15.828 5.248 -7.986 1.00 0.00 N ATOM 1741 CA ILE A 119 -14.647 6.104 -7.840 1.00 0.00 C ATOM 1742 C ILE A 119 -14.002 6.314 -9.211 1.00 0.00 C ATOM 1743 O ILE A 119 -14.203 5.495 -10.109 1.00 0.00 O ATOM 1744 CB ILE A 119 -13.655 5.531 -6.805 1.00 0.00 C ATOM 1745 CG1 ILE A 119 -12.883 4.293 -7.304 1.00 0.00 C ATOM 1746 CG2 ILE A 119 -14.370 5.196 -5.487 1.00 0.00 C ATOM 1747 CD1 ILE A 119 -11.516 4.632 -7.908 1.00 0.00 C ATOM 0 H ILE A 119 -15.670 4.465 -8.620 1.00 0.00 H new ATOM 0 HA ILE A 119 -14.954 7.076 -7.453 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.919 6.318 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.744 3.601 -6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -13.484 3.776 -8.052 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.650 4.794 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.820 6.100 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.148 4.456 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.027 3.716 -8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -11.650 5.299 -8.759 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -10.898 5.122 -7.156 1.00 0.00 H new ATOM 1759 N SER A 120 -13.196 7.370 -9.350 1.00 0.00 N ATOM 1760 CA SER A 120 -12.472 7.705 -10.578 1.00 0.00 C ATOM 1761 C SER A 120 -11.378 8.752 -10.307 1.00 0.00 C ATOM 1762 O SER A 120 -11.043 9.579 -11.164 1.00 0.00 O ATOM 1763 CB SER A 120 -13.488 8.204 -11.610 1.00 0.00 C ATOM 1764 OG SER A 120 -13.156 7.806 -12.923 1.00 0.00 O ATOM 0 H SER A 120 -13.025 8.032 -8.593 1.00 0.00 H new ATOM 0 HA SER A 120 -11.965 6.821 -10.965 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.477 7.823 -11.356 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.544 9.292 -11.565 1.00 0.00 H new ATOM 0 HG SER A 120 -13.831 8.144 -13.548 1.00 0.00 H new ATOM 1770 N THR A 121 -10.841 8.772 -9.095 1.00 0.00 N ATOM 1771 CA THR A 121 -9.943 9.799 -8.595 1.00 0.00 C ATOM 1772 C THR A 121 -8.504 9.274 -8.572 1.00 0.00 C ATOM 1773 O THR A 121 -8.280 8.080 -8.780 1.00 0.00 O ATOM 1774 CB THR A 121 -10.497 10.230 -7.226 1.00 0.00 C ATOM 1775 OG1 THR A 121 -10.783 9.104 -6.420 1.00 0.00 O ATOM 1776 CG2 THR A 121 -11.799 11.029 -7.373 1.00 0.00 C ATOM 0 H THR A 121 -11.028 8.043 -8.407 1.00 0.00 H new ATOM 0 HA THR A 121 -9.899 10.679 -9.236 1.00 0.00 H new ATOM 0 HB THR A 121 -9.728 10.849 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 121 -11.147 9.401 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 121 -12.162 11.317 -6.387 1.00 0.00 H new ATOM 0 HG22 THR A 121 -11.612 11.924 -7.967 1.00 0.00 H new ATOM 0 HG23 THR A 121 -12.549 10.414 -7.870 1.00 0.00 H new ATOM 1784 N ASP A 122 -7.517 10.138 -8.308 1.00 0.00 N ATOM 1785 CA ASP A 122 -6.096 9.767 -8.183 1.00 0.00 C ATOM 1786 C ASP A 122 -5.797 9.245 -6.771 1.00 0.00 C ATOM 1787 O ASP A 122 -4.704 9.428 -6.236 1.00 0.00 O ATOM 1788 CB ASP A 122 -5.159 10.933 -8.540 1.00 0.00 C ATOM 1789 CG ASP A 122 -5.233 11.332 -10.003 1.00 0.00 C ATOM 1790 OD1 ASP A 122 -4.533 10.772 -10.881 1.00 0.00 O ATOM 1791 OD2 ASP A 122 -5.992 12.281 -10.298 1.00 0.00 O ATOM 0 H ASP A 122 -7.683 11.135 -8.172 1.00 0.00 H new ATOM 0 HA ASP A 122 -5.906 8.969 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.410 11.795 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.134 10.654 -8.297 1.00 0.00 H new ATOM 1796 N ASP A 123 -6.802 8.655 -6.122 1.00 0.00 N ATOM 1797 CA ASP A 123 -6.797 8.262 -4.713 1.00 0.00 C ATOM 1798 C ASP A 123 -5.581 7.406 -4.377 1.00 0.00 C ATOM 1799 O ASP A 123 -4.990 7.570 -3.305 1.00 0.00 O ATOM 1800 CB ASP A 123 -8.082 7.483 -4.369 1.00 0.00 C ATOM 1801 CG ASP A 123 -9.185 8.383 -3.799 1.00 0.00 C ATOM 1802 OD1 ASP A 123 -9.276 9.577 -4.193 1.00 0.00 O ATOM 1803 OD2 ASP A 123 -9.994 7.902 -2.976 1.00 0.00 O ATOM 0 H ASP A 123 -7.682 8.428 -6.586 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.752 9.175 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.452 6.986 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.846 6.702 -3.646 1.00 0.00 H new ATOM 1808 N LEU A 124 -5.211 6.495 -5.284 1.00 0.00 N ATOM 1809 CA LEU A 124 -4.071 5.626 -5.128 1.00 0.00 C ATOM 1810 C LEU A 124 -3.375 5.562 -6.475 1.00 0.00 C ATOM 1811 O LEU A 124 -3.700 4.746 -7.342 1.00 0.00 O ATOM 1812 CB LEU A 124 -4.519 4.249 -4.616 1.00 0.00 C ATOM 1813 CG LEU A 124 -3.752 3.746 -3.388 1.00 0.00 C ATOM 1814 CD1 LEU A 124 -2.274 3.502 -3.668 1.00 0.00 C ATOM 1815 CD2 LEU A 124 -3.843 4.683 -2.190 1.00 0.00 C ATOM 0 H LEU A 124 -5.714 6.349 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.370 6.004 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.580 4.294 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.407 3.522 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.245 2.804 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.785 3.147 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.171 2.752 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.807 4.432 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.278 4.265 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.430 5.656 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.887 4.800 -1.898 1.00 0.00 H new ATOM 1827 N ASN A 125 -2.416 6.457 -6.652 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.559 6.503 -7.830 1.00 0.00 C ATOM 1829 C ASN A 125 -0.203 7.145 -7.524 1.00 0.00 C ATOM 1830 O ASN A 125 0.023 8.331 -7.770 1.00 0.00 O ATOM 1831 CB ASN A 125 -2.272 7.160 -9.022 1.00 0.00 C ATOM 1832 CG ASN A 125 -1.665 6.566 -10.279 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -2.256 5.688 -10.904 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -0.459 6.951 -10.640 1.00 0.00 N ATOM 0 H ASN A 125 -2.206 7.186 -5.970 1.00 0.00 H new ATOM 0 HA ASN A 125 -1.349 5.474 -8.123 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -3.345 6.969 -8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.140 8.242 -9.003 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.006 6.520 -11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 125 0.022 7.681 -10.114 1.00 0.00 H new ATOM 1841 N LEU A 126 0.706 6.354 -6.966 1.00 0.00 N ATOM 1842 CA LEU A 126 2.008 6.752 -6.455 1.00 0.00 C ATOM 1843 C LEU A 126 3.116 6.115 -7.269 1.00 0.00 C ATOM 1844 O LEU A 126 3.015 4.959 -7.686 1.00 0.00 O ATOM 1845 CB LEU A 126 2.145 6.305 -4.989 1.00 0.00 C ATOM 1846 CG LEU A 126 2.165 7.485 -4.016 1.00 0.00 C ATOM 1847 CD1 LEU A 126 0.803 8.195 -3.985 1.00 0.00 C ATOM 1848 CD2 LEU A 126 2.561 6.948 -2.637 1.00 0.00 C ATOM 0 H LEU A 126 0.541 5.354 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 126 2.091 7.837 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.317 5.643 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.062 5.727 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 126 2.891 8.232 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.844 9.030 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.564 8.567 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.033 7.492 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.584 7.769 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.833 6.204 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.548 6.489 -2.695 1.00 0.00 H new ATOM 1860 N TYR A 127 4.208 6.858 -7.388 1.00 0.00 N ATOM 1861 CA TYR A 127 5.421 6.462 -8.066 1.00 0.00 C ATOM 1862 C TYR A 127 6.548 7.228 -7.383 1.00 0.00 C ATOM 1863 O TYR A 127 6.605 8.452 -7.475 1.00 0.00 O ATOM 1864 CB TYR A 127 5.291 6.779 -9.563 1.00 0.00 C ATOM 1865 CG TYR A 127 5.427 5.561 -10.455 1.00 0.00 C ATOM 1866 CD1 TYR A 127 6.695 5.039 -10.769 1.00 0.00 C ATOM 1867 CD2 TYR A 127 4.273 4.922 -10.945 1.00 0.00 C ATOM 1868 CE1 TYR A 127 6.813 3.847 -11.510 1.00 0.00 C ATOM 1869 CE2 TYR A 127 4.378 3.746 -11.709 1.00 0.00 C ATOM 1870 CZ TYR A 127 5.649 3.180 -11.967 1.00 0.00 C ATOM 1871 OH TYR A 127 5.732 2.006 -12.653 1.00 0.00 O ATOM 0 H TYR A 127 4.268 7.797 -6.993 1.00 0.00 H new ATOM 0 HA TYR A 127 5.622 5.393 -8.003 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.323 7.246 -9.744 1.00 0.00 H new ATOM 0 HB3 TYR A 127 6.053 7.508 -9.839 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.584 5.556 -10.440 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.299 5.338 -10.733 1.00 0.00 H new ATOM 0 HE1 TYR A 127 7.790 3.442 -11.730 1.00 0.00 H new ATOM 0 HE2 TYR A 127 3.488 3.275 -12.099 1.00 0.00 H new ATOM 0 HH TYR A 127 4.831 1.697 -12.883 1.00 0.00 H new ATOM 1881 N TYR A 128 7.399 6.524 -6.642 1.00 0.00 N ATOM 1882 CA TYR A 128 8.582 7.073 -5.986 1.00 0.00 C ATOM 1883 C TYR A 128 9.777 6.405 -6.647 1.00 0.00 C ATOM 1884 O TYR A 128 9.883 5.179 -6.644 1.00 0.00 O ATOM 1885 CB TYR A 128 8.547 6.755 -4.487 1.00 0.00 C ATOM 1886 CG TYR A 128 7.641 7.638 -3.633 1.00 0.00 C ATOM 1887 CD1 TYR A 128 7.882 9.024 -3.565 1.00 0.00 C ATOM 1888 CD2 TYR A 128 6.597 7.086 -2.859 1.00 0.00 C ATOM 1889 CE1 TYR A 128 7.070 9.855 -2.770 1.00 0.00 C ATOM 1890 CE2 TYR A 128 5.792 7.915 -2.048 1.00 0.00 C ATOM 1891 CZ TYR A 128 6.004 9.311 -2.026 1.00 0.00 C ATOM 1892 OH TYR A 128 5.225 10.135 -1.271 1.00 0.00 O ATOM 0 H TYR A 128 7.281 5.525 -6.476 1.00 0.00 H new ATOM 0 HA TYR A 128 8.632 8.157 -6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.231 5.719 -4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.562 6.827 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.697 9.453 -4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.413 6.022 -2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 128 7.265 10.916 -2.730 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.011 7.480 -1.442 1.00 0.00 H new ATOM 0 HH TYR A 128 4.284 9.886 -1.380 1.00 0.00 H new ATOM 1902 N ASN A 129 10.621 7.186 -7.301 1.00 0.00 N ATOM 1903 CA ASN A 129 11.814 6.708 -7.999 1.00 0.00 C ATOM 1904 C ASN A 129 12.805 7.842 -8.170 1.00 0.00 C ATOM 1905 O ASN A 129 12.434 8.942 -8.622 1.00 0.00 O ATOM 1906 CB ASN A 129 11.474 5.997 -9.329 1.00 0.00 C ATOM 1907 CG ASN A 129 11.155 6.900 -10.521 1.00 0.00 C ATOM 1908 OD1 ASN A 129 10.335 7.809 -10.448 1.00 0.00 O ATOM 1909 ND2 ASN A 129 11.732 6.595 -11.668 1.00 0.00 N ATOM 0 H ASN A 129 10.497 8.196 -7.366 1.00 0.00 H new ATOM 0 HA ASN A 129 12.288 5.944 -7.383 1.00 0.00 H new ATOM 0 HB2 ASN A 129 12.315 5.359 -9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 129 10.619 5.343 -9.158 1.00 0.00 H new ATOM 0 HD21 ASN A 129 11.498 7.118 -12.512 1.00 0.00 H new ATOM 0 HD22 ASN A 129 12.412 5.836 -11.711 1.00 0.00 H new TER 1916 ASN A 129