USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 858 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 51 HIS : no HE2:sc= -0.577 K(o=-3.9,f=-6.7!) USER MOD Set 1.2: A 53 GLN :FLIP amide:sc= -0.325 F(o=-4.6,f=-3.9) USER MOD Set 1.3: A 100 HIS :FLIP no HD1:sc= -3.01! C(o=-4!,f=-3.9!) USER MOD Set 2.1: A 33 TYR OH : rot 79:sc= 0.511 USER MOD Set 2.2: A 86 SER OG : rot -119:sc= 1.4 USER MOD Set 3.1: A 84 TYR OH : rot 180:sc= -1.14 USER MOD Set 3.2: A 101 TYR OH : rot 0:sc= -2.54! USER MOD Set 4.1: A 7 TYR OH : rot -32:sc= 0.624 USER MOD Set 4.2: A 109 THR OG1 : rot -115:sc= 0.597 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 21 GLN : amide:sc= -0.641 K(o=-0.64,f=-1.6!) USER MOD Single : A 22 SER OG : rot 2:sc= -0.72 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -89:sc= 0.333 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.223 F(o=-0.87,f=-0.22) USER MOD Single : A 39 ASN : amide:sc= 0.455 K(o=0.45,f=-8.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 83 HIS : no HD1:sc= -0.771 K(o=-0.77,f=-2.2) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 97 MET CE :methyl -136:sc= -3! (180deg=-4.03!) USER MOD Single : A 98 GLN : amide:sc= -0.619 K(o=-0.62,f=-2) USER MOD Single : A 103 MET CE :methyl 155:sc= -0.23 (180deg=-0.84) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.671 86.496 82.556 1.00 0.00 N ATOM 2 CA ARG A 6 54.208 86.778 82.497 1.00 0.00 C ATOM 3 C ARG A 6 53.941 88.291 82.512 1.00 0.00 C ATOM 4 O ARG A 6 52.831 88.726 82.767 1.00 0.00 O ATOM 5 CB ARG A 6 53.635 86.125 83.755 1.00 0.00 C ATOM 6 CG ARG A 6 53.734 84.603 83.632 1.00 0.00 C ATOM 7 CD ARG A 6 53.162 83.949 84.892 1.00 0.00 C ATOM 8 NE ARG A 6 54.032 84.427 86.004 1.00 0.00 N ATOM 9 CZ ARG A 6 55.145 83.802 86.276 1.00 0.00 C ATOM 10 NH1 ARG A 6 55.113 82.644 86.877 1.00 0.00 N ATOM 11 NH2 ARG A 6 56.290 84.335 85.949 1.00 0.00 N ATOM 0 HA ARG A 6 53.755 86.392 81.584 1.00 0.00 H new ATOM 0 HB2 ARG A 6 54.181 86.465 84.635 1.00 0.00 H new ATOM 0 HB3 ARG A 6 52.595 86.422 83.890 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.187 84.263 82.753 1.00 0.00 H new ATOM 0 HG3 ARG A 6 54.774 84.306 83.495 1.00 0.00 H new ATOM 0 HD2 ARG A 6 52.123 84.240 85.051 1.00 0.00 H new ATOM 0 HD3 ARG A 6 53.181 82.862 84.816 1.00 0.00 H new ATOM 0 HE ARG A 6 53.758 85.242 86.552 1.00 0.00 H new ATOM 0 HH11 ARG A 6 54.218 82.227 87.134 1.00 0.00 H new ATOM 0 HH12 ARG A 6 55.983 82.156 87.090 1.00 0.00 H new ATOM 0 HH21 ARG A 6 56.316 85.241 85.481 1.00 0.00 H new ATOM 0 HH22 ARG A 6 57.159 83.846 86.162 1.00 0.00 H new ATOM 25 N TYR A 7 54.950 89.093 82.247 1.00 31.93 N ATOM 26 CA TYR A 7 54.757 90.576 82.253 1.00 29.59 C ATOM 27 C TYR A 7 55.071 91.155 80.868 1.00 29.68 C ATOM 28 O TYR A 7 56.217 91.252 80.471 1.00 30.50 O ATOM 29 CB TYR A 7 55.749 91.109 83.291 1.00 27.35 C ATOM 30 CG TYR A 7 55.466 90.489 84.640 1.00 25.69 C ATOM 31 CD1 TYR A 7 54.429 90.987 85.438 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.243 89.416 85.092 1.00 23.48 C ATOM 33 CE1 TYR A 7 54.170 90.411 86.687 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.983 88.840 86.341 1.00 22.47 C ATOM 35 CZ TYR A 7 54.947 89.337 87.138 1.00 22.87 C ATOM 36 OH TYR A 7 54.689 88.770 88.370 1.00 25.71 O ATOM 0 H TYR A 7 55.896 88.781 82.028 1.00 31.93 H new ATOM 0 HA TYR A 7 53.731 90.854 82.493 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.769 90.880 82.983 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.672 92.194 83.357 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.829 91.815 85.090 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.043 89.032 84.477 1.00 23.48 H new ATOM 0 HE1 TYR A 7 53.371 90.795 87.303 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.582 88.012 86.689 1.00 22.47 H new ATOM 0 HH TYR A 7 54.355 89.458 88.983 1.00 25.71 H new ATOM 46 N ARG A 8 54.058 91.536 80.136 1.00 0.00 N ATOM 47 CA ARG A 8 54.274 92.112 78.774 1.00 0.00 C ATOM 48 C ARG A 8 53.175 93.128 78.453 1.00 0.00 C ATOM 49 O ARG A 8 52.005 92.893 78.685 1.00 0.00 O ATOM 50 CB ARG A 8 54.203 90.921 77.817 1.00 0.00 C ATOM 51 CG ARG A 8 55.435 90.034 78.010 1.00 0.00 C ATOM 52 CD ARG A 8 55.467 88.957 76.923 1.00 0.00 C ATOM 53 NE ARG A 8 56.634 88.099 77.267 1.00 0.00 N ATOM 54 CZ ARG A 8 57.840 88.477 76.943 1.00 0.00 C ATOM 55 NH1 ARG A 8 58.129 88.736 75.696 1.00 0.00 N ATOM 56 NH2 ARG A 8 58.757 88.594 77.863 1.00 0.00 N ATOM 0 H ARG A 8 53.082 91.473 80.425 1.00 0.00 H new ATOM 0 HA ARG A 8 55.226 92.636 78.694 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.296 90.346 78.002 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.153 91.272 76.786 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.341 90.638 77.965 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.411 89.570 78.996 1.00 0.00 H new ATOM 0 HD2 ARG A 8 54.542 88.380 76.911 1.00 0.00 H new ATOM 0 HD3 ARG A 8 55.580 89.398 75.933 1.00 0.00 H new ATOM 0 HE ARG A 8 56.491 87.215 77.756 1.00 0.00 H new ATOM 0 HH11 ARG A 8 57.412 88.643 74.976 1.00 0.00 H new ATOM 0 HH12 ARG A 8 59.072 89.032 75.442 1.00 0.00 H new ATOM 0 HH21 ARG A 8 58.532 88.390 78.837 1.00 0.00 H new ATOM 0 HH22 ARG A 8 59.700 88.890 77.609 1.00 0.00 H new ATOM 70 N VAL A 9 53.557 94.262 77.922 1.00 0.00 N ATOM 71 CA VAL A 9 52.568 95.326 77.575 1.00 0.00 C ATOM 72 C VAL A 9 53.100 96.161 76.403 1.00 0.00 C ATOM 73 O VAL A 9 54.105 96.837 76.508 1.00 0.00 O ATOM 74 CB VAL A 9 52.433 96.190 78.837 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.455 97.350 78.580 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.910 95.328 79.993 1.00 0.00 C ATOM 0 H VAL A 9 54.527 94.498 77.711 1.00 0.00 H new ATOM 0 HA VAL A 9 51.606 94.914 77.272 1.00 0.00 H new ATOM 0 HB VAL A 9 53.410 96.598 79.096 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.366 97.957 79.481 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.829 97.967 77.762 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.477 96.949 78.314 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.814 95.941 80.889 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.936 94.917 79.728 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.608 94.513 80.184 1.00 0.00 H new ATOM 86 N GLU A 10 52.414 96.122 75.293 1.00 0.00 N ATOM 87 CA GLU A 10 52.821 96.906 74.091 1.00 0.00 C ATOM 88 C GLU A 10 51.897 98.112 73.903 1.00 0.00 C ATOM 89 O GLU A 10 50.687 98.000 73.937 1.00 0.00 O ATOM 90 CB GLU A 10 52.661 95.932 72.922 1.00 0.00 C ATOM 91 CG GLU A 10 53.123 96.604 71.624 1.00 0.00 C ATOM 92 CD GLU A 10 52.967 95.635 70.445 1.00 0.00 C ATOM 93 OE1 GLU A 10 52.898 94.439 70.680 1.00 0.00 O ATOM 94 OE2 GLU A 10 52.918 96.111 69.321 1.00 0.00 O ATOM 0 H GLU A 10 51.568 95.566 75.166 1.00 0.00 H new ATOM 0 HA GLU A 10 53.836 97.294 74.175 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.246 95.030 73.104 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.619 95.624 72.833 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.538 97.506 71.444 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.164 96.913 71.716 1.00 0.00 H new ATOM 101 N VAL A 11 52.477 99.266 73.703 1.00 26.88 N ATOM 102 CA VAL A 11 51.670 100.508 73.506 1.00 26.83 C ATOM 103 C VAL A 11 51.966 101.090 72.119 1.00 27.58 C ATOM 104 O VAL A 11 53.107 101.156 71.700 1.00 28.21 O ATOM 105 CB VAL A 11 52.129 101.468 74.610 1.00 26.28 C ATOM 106 CG1 VAL A 11 51.361 102.790 74.503 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.860 100.841 75.983 1.00 25.75 C ATOM 0 H VAL A 11 53.487 99.403 73.667 1.00 26.88 H new ATOM 0 HA VAL A 11 50.597 100.327 73.561 1.00 26.83 H new ATOM 0 HB VAL A 11 53.196 101.657 74.494 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.692 103.468 75.290 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.551 103.243 73.530 1.00 26.50 H new ATOM 0 HG13 VAL A 11 50.293 102.600 74.612 1.00 26.50 H new ATOM 0 HG21 VAL A 11 52.187 101.525 76.766 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.793 100.648 76.092 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.409 99.903 76.068 1.00 25.75 H new ATOM 117 N GLU A 12 50.953 101.509 71.403 1.00 0.00 N ATOM 118 CA GLU A 12 51.174 102.085 70.041 1.00 0.00 C ATOM 119 C GLU A 12 50.572 103.490 69.959 1.00 0.00 C ATOM 120 O GLU A 12 49.483 103.738 70.441 1.00 0.00 O ATOM 121 CB GLU A 12 50.447 101.135 69.089 1.00 0.00 C ATOM 122 CG GLU A 12 51.189 99.797 69.039 1.00 0.00 C ATOM 123 CD GLU A 12 50.458 98.844 68.091 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.252 98.717 68.222 1.00 0.00 O ATOM 125 OE2 GLU A 12 51.118 98.257 67.249 1.00 0.00 O ATOM 0 H GLU A 12 49.979 101.477 71.704 1.00 0.00 H new ATOM 0 HA GLU A 12 52.232 102.177 69.797 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.421 100.982 69.424 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.395 101.572 68.092 1.00 0.00 H new ATOM 0 HG2 GLU A 12 52.214 99.950 68.700 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.245 99.362 70.037 1.00 0.00 H new ATOM 132 N VAL A 13 51.282 104.409 69.356 1.00 26.55 N ATOM 133 CA VAL A 13 50.770 105.809 69.239 1.00 26.45 C ATOM 134 C VAL A 13 50.855 106.293 67.786 1.00 27.95 C ATOM 135 O VAL A 13 51.836 106.076 67.102 1.00 27.94 O ATOM 136 CB VAL A 13 51.679 106.642 70.149 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.259 108.113 70.097 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.564 106.135 71.589 1.00 26.97 C ATOM 0 H VAL A 13 52.198 104.250 68.938 1.00 26.55 H new ATOM 0 HA VAL A 13 49.723 105.891 69.530 1.00 26.45 H new ATOM 0 HB VAL A 13 52.710 106.548 69.807 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.909 108.700 70.746 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.342 108.479 69.074 1.00 24.91 H new ATOM 0 HG13 VAL A 13 50.227 108.209 70.434 1.00 24.91 H new ATOM 0 HG21 VAL A 13 52.211 106.728 72.236 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.531 106.227 71.926 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.868 105.089 71.632 1.00 26.97 H new ATOM 148 N SER A 14 49.820 106.954 67.321 1.00 0.00 N ATOM 149 CA SER A 14 49.814 107.467 65.918 1.00 0.00 C ATOM 150 C SER A 14 49.535 108.981 65.904 1.00 0.00 C ATOM 151 O SER A 14 48.414 109.401 66.117 1.00 0.00 O ATOM 152 CB SER A 14 48.688 106.705 65.221 1.00 0.00 C ATOM 153 OG SER A 14 49.003 105.319 65.199 1.00 0.00 O ATOM 0 H SER A 14 48.977 107.160 67.857 1.00 0.00 H new ATOM 0 HA SER A 14 50.773 107.319 65.421 1.00 0.00 H new ATOM 0 HB2 SER A 14 47.745 106.867 65.744 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.557 107.076 64.205 1.00 0.00 H new ATOM 0 HG SER A 14 48.282 104.827 64.754 1.00 0.00 H new ATOM 159 N PRO A 15 50.570 109.751 65.653 1.00 28.75 N ATOM 160 CA PRO A 15 50.382 111.232 65.619 1.00 30.20 C ATOM 161 C PRO A 15 49.841 111.693 64.259 1.00 33.00 C ATOM 162 O PRO A 15 49.868 110.971 63.282 1.00 32.76 O ATOM 163 CB PRO A 15 51.782 111.790 65.849 1.00 29.34 C ATOM 164 CG PRO A 15 52.706 110.716 65.387 1.00 29.59 C ATOM 165 CD PRO A 15 52.004 109.406 65.618 1.00 28.91 C ATOM 0 HA PRO A 15 49.661 111.571 66.362 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.937 112.712 65.288 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.945 112.026 66.901 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.949 110.843 64.332 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.646 110.752 65.937 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.221 108.695 64.821 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.323 108.945 66.553 1.00 28.91 H new ATOM 173 N ARG A 16 49.347 112.906 64.208 1.00 34.77 N ATOM 174 CA ARG A 16 48.790 113.463 62.937 1.00 37.64 C ATOM 175 C ARG A 16 48.810 114.996 62.991 1.00 38.99 C ATOM 176 O ARG A 16 48.391 115.607 63.957 1.00 38.96 O ATOM 177 CB ARG A 16 47.353 112.933 62.840 1.00 40.22 C ATOM 178 CG ARG A 16 46.553 113.345 64.079 1.00 43.41 C ATOM 179 CD ARG A 16 45.127 112.799 63.969 1.00 47.90 C ATOM 180 NE ARG A 16 44.544 113.484 62.783 1.00 51.85 N ATOM 181 CZ ARG A 16 43.589 112.911 62.102 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.536 112.448 62.719 1.00 53.27 N ATOM 183 NH2 ARG A 16 43.687 112.801 60.806 1.00 54.10 N ATOM 0 H ARG A 16 49.306 113.542 65.005 1.00 34.77 H new ATOM 0 HA ARG A 16 49.374 113.165 62.066 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.874 113.323 61.942 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.364 111.847 62.749 1.00 40.22 H new ATOM 0 HG2 ARG A 16 47.033 112.961 64.979 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.532 114.431 64.167 1.00 43.41 H new ATOM 0 HD2 ARG A 16 45.127 111.717 63.839 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.552 113.012 64.870 1.00 47.90 H new ATOM 0 HE ARG A 16 44.891 114.401 62.502 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.460 112.534 63.733 1.00 53.27 H new ATOM 0 HH12 ARG A 16 41.789 112.000 62.188 1.00 53.27 H new ATOM 0 HH21 ARG A 16 44.510 113.163 60.324 1.00 54.10 H new ATOM 0 HH22 ARG A 16 42.941 112.353 60.274 1.00 54.10 H new ATOM 197 N PHE A 17 49.326 115.613 61.959 1.00 0.00 N ATOM 198 CA PHE A 17 49.420 117.109 61.920 1.00 0.00 C ATOM 199 C PHE A 17 48.030 117.763 61.928 1.00 0.00 C ATOM 200 O PHE A 17 47.113 117.305 61.274 1.00 0.00 O ATOM 201 CB PHE A 17 50.140 117.420 60.604 1.00 0.00 C ATOM 202 CG PHE A 17 50.400 118.904 60.504 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.407 119.491 61.280 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.638 119.693 59.635 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.653 120.865 61.186 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.883 121.069 59.541 1.00 0.00 C ATOM 207 CZ PHE A 17 50.890 121.655 60.317 1.00 0.00 C ATOM 0 H PHE A 17 49.691 115.141 61.131 1.00 0.00 H new ATOM 0 HA PHE A 17 49.945 117.498 62.793 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.081 116.872 60.555 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.534 117.090 59.760 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.994 118.882 61.952 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.861 119.241 59.037 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.431 121.316 61.783 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.295 121.678 58.870 1.00 0.00 H new ATOM 0 HZ PHE A 17 51.078 122.716 60.246 1.00 0.00 H new ATOM 217 N LEU A 18 47.882 118.843 62.656 1.00 0.00 N ATOM 218 CA LEU A 18 46.566 119.555 62.705 1.00 0.00 C ATOM 219 C LEU A 18 46.696 120.962 62.112 1.00 0.00 C ATOM 220 O LEU A 18 46.796 121.949 62.814 1.00 0.00 O ATOM 221 CB LEU A 18 46.179 119.623 64.183 1.00 0.00 C ATOM 222 CG LEU A 18 45.876 118.217 64.704 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.626 118.276 66.213 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.630 117.672 64.000 1.00 0.00 C ATOM 0 H LEU A 18 48.619 119.264 63.221 1.00 0.00 H new ATOM 0 HA LEU A 18 45.807 119.035 62.121 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.989 120.068 64.761 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.307 120.264 64.311 1.00 0.00 H new ATOM 0 HG LEU A 18 46.724 117.562 64.502 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.410 117.275 66.585 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.512 118.666 66.714 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.778 118.929 66.416 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.412 116.670 64.370 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.782 118.326 64.203 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.808 117.631 62.925 1.00 0.00 H new ATOM 236 N ALA A 19 46.664 121.040 60.809 1.00 0.00 N ATOM 237 CA ALA A 19 46.752 122.359 60.102 1.00 0.00 C ATOM 238 C ALA A 19 45.491 123.193 60.348 1.00 0.00 C ATOM 239 O ALA A 19 45.556 124.403 60.453 1.00 0.00 O ATOM 240 CB ALA A 19 46.837 121.994 58.617 1.00 0.00 C ATOM 0 H ALA A 19 46.579 120.233 60.191 1.00 0.00 H new ATOM 0 HA ALA A 19 47.601 122.948 60.449 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.905 122.905 58.022 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.721 121.380 58.443 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.946 121.437 58.328 1.00 0.00 H new ATOM 246 N HIS A 20 44.348 122.561 60.430 1.00 0.00 N ATOM 247 CA HIS A 20 43.084 123.330 60.656 1.00 0.00 C ATOM 248 C HIS A 20 43.050 123.914 62.073 1.00 0.00 C ATOM 249 O HIS A 20 42.369 124.888 62.330 1.00 0.00 O ATOM 250 CB HIS A 20 41.951 122.321 60.459 1.00 0.00 C ATOM 251 CG HIS A 20 40.633 123.045 60.437 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.301 123.948 59.439 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.554 123.011 61.285 1.00 0.00 C ATOM 254 CE1 HIS A 20 39.069 124.415 59.708 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.567 123.877 60.822 1.00 0.00 N ATOM 0 H HIS A 20 44.234 121.550 60.351 1.00 0.00 H new ATOM 0 HA HIS A 20 42.997 124.173 59.970 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.094 121.775 59.526 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.961 121.586 61.263 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.482 122.405 62.176 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.549 125.138 59.097 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.656 124.061 61.243 1.00 0.00 H new ATOM 263 N GLN A 21 43.774 123.324 62.993 1.00 51.13 N ATOM 264 CA GLN A 21 43.776 123.846 64.393 1.00 51.59 C ATOM 265 C GLN A 21 45.192 124.239 64.823 1.00 51.55 C ATOM 266 O GLN A 21 45.610 123.950 65.928 1.00 51.24 O ATOM 267 CB GLN A 21 43.265 122.683 65.245 1.00 52.27 C ATOM 268 CG GLN A 21 41.778 122.455 64.962 1.00 52.27 C ATOM 269 CD GLN A 21 40.962 123.605 65.556 1.00 52.27 C ATOM 270 OE1 GLN A 21 40.923 124.686 65.004 1.00 52.37 O ATOM 271 NE2 GLN A 21 40.304 123.414 66.667 1.00 51.79 N ATOM 0 H GLN A 21 44.362 122.506 62.834 1.00 51.13 H new ATOM 0 HA GLN A 21 43.159 124.739 64.497 1.00 51.59 H new ATOM 0 HB2 GLN A 21 43.831 121.779 65.021 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.415 122.900 66.303 1.00 52.27 H new ATOM 0 HG2 GLN A 21 41.607 122.391 63.887 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.456 121.507 65.393 1.00 52.27 H new ATOM 0 HE21 GLN A 21 40.337 122.506 67.130 1.00 51.79 H new ATOM 0 HE22 GLN A 21 39.756 124.173 67.072 1.00 51.79 H new ATOM 280 N SER A 22 45.934 124.897 63.962 1.00 52.26 N ATOM 281 CA SER A 22 47.323 125.303 64.334 1.00 52.76 C ATOM 282 C SER A 22 47.863 126.361 63.366 1.00 51.68 C ATOM 283 O SER A 22 47.564 126.348 62.187 1.00 52.15 O ATOM 284 CB SER A 22 48.150 124.024 64.231 1.00 53.63 C ATOM 285 OG SER A 22 49.479 124.291 64.660 1.00 55.19 O ATOM 0 H SER A 22 45.638 125.168 63.024 1.00 52.26 H new ATOM 0 HA SER A 22 47.360 125.743 65.330 1.00 52.76 H new ATOM 0 HB2 SER A 22 47.707 123.240 64.845 1.00 53.63 H new ATOM 0 HB3 SER A 22 48.153 123.660 63.203 1.00 53.63 H new ATOM 0 HG SER A 22 49.549 125.226 64.944 1.00 55.19 H new ATOM 291 N THR A 23 48.676 127.263 63.857 1.00 0.00 N ATOM 292 CA THR A 23 49.266 128.317 62.973 1.00 0.00 C ATOM 293 C THR A 23 50.799 128.206 63.010 1.00 0.00 C ATOM 294 O THR A 23 51.439 128.761 63.882 1.00 0.00 O ATOM 295 CB THR A 23 48.788 129.661 63.543 1.00 0.00 C ATOM 296 OG1 THR A 23 49.384 130.719 62.806 1.00 0.00 O ATOM 297 CG2 THR A 23 49.177 129.793 65.021 1.00 0.00 C ATOM 0 H THR A 23 48.958 127.315 64.836 1.00 0.00 H new ATOM 0 HA THR A 23 48.958 128.213 61.933 1.00 0.00 H new ATOM 0 HB THR A 23 47.702 129.710 63.462 1.00 0.00 H new ATOM 0 HG1 THR A 23 49.081 131.579 63.165 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.829 130.752 65.405 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.718 128.986 65.592 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.261 129.735 65.118 1.00 0.00 H new ATOM 305 N PRO A 24 51.335 127.465 62.067 1.00 49.88 N ATOM 306 CA PRO A 24 52.816 127.280 62.048 1.00 51.02 C ATOM 307 C PRO A 24 53.545 128.597 61.756 1.00 51.50 C ATOM 308 O PRO A 24 54.706 128.753 62.085 1.00 51.57 O ATOM 309 CB PRO A 24 53.048 126.284 60.916 1.00 51.23 C ATOM 310 CG PRO A 24 51.875 126.449 60.013 1.00 51.05 C ATOM 311 CD PRO A 24 50.715 126.845 60.880 1.00 49.44 C ATOM 0 HA PRO A 24 53.197 126.935 63.009 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.981 126.491 60.393 1.00 51.23 H new ATOM 0 HB3 PRO A 24 53.115 125.264 61.295 1.00 51.23 H new ATOM 0 HG2 PRO A 24 52.072 127.211 59.258 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.662 125.521 59.482 1.00 51.05 H new ATOM 0 HD2 PRO A 24 50.056 127.544 60.366 1.00 49.44 H new ATOM 0 HD3 PRO A 24 50.111 125.980 61.154 1.00 49.44 H new ATOM 319 N ASP A 25 52.882 129.536 61.129 1.00 0.00 N ATOM 320 CA ASP A 25 53.551 130.835 60.802 1.00 0.00 C ATOM 321 C ASP A 25 53.906 131.609 62.079 1.00 0.00 C ATOM 322 O ASP A 25 54.794 132.441 62.074 1.00 0.00 O ATOM 323 CB ASP A 25 52.545 131.615 59.953 1.00 0.00 C ATOM 324 CG ASP A 25 53.238 132.820 59.318 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.574 133.740 60.047 1.00 0.00 O ATOM 326 OD2 ASP A 25 53.423 132.806 58.111 1.00 0.00 O ATOM 0 H ASP A 25 51.910 129.461 60.830 1.00 0.00 H new ATOM 0 HA ASP A 25 54.489 130.678 60.270 1.00 0.00 H new ATOM 0 HB2 ASP A 25 52.131 130.970 59.178 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.711 131.946 60.572 1.00 0.00 H new ATOM 331 N GLU A 26 53.221 131.350 63.165 1.00 0.00 N ATOM 332 CA GLU A 26 53.525 132.085 64.435 1.00 0.00 C ATOM 333 C GLU A 26 54.273 131.181 65.422 1.00 0.00 C ATOM 334 O GLU A 26 54.239 131.397 66.619 1.00 0.00 O ATOM 335 CB GLU A 26 52.158 132.477 64.997 1.00 0.00 C ATOM 336 CG GLU A 26 52.338 133.535 66.090 1.00 0.00 C ATOM 337 CD GLU A 26 50.975 134.114 66.485 1.00 0.00 C ATOM 338 OE1 GLU A 26 50.080 134.107 65.652 1.00 0.00 O ATOM 339 OE2 GLU A 26 50.848 134.555 67.615 1.00 0.00 O ATOM 0 H GLU A 26 52.468 130.665 63.229 1.00 0.00 H new ATOM 0 HA GLU A 26 54.165 132.950 64.263 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.524 132.866 64.201 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.656 131.600 65.405 1.00 0.00 H new ATOM 0 HG2 GLU A 26 52.821 133.092 66.961 1.00 0.00 H new ATOM 0 HG3 GLU A 26 52.992 134.331 65.734 1.00 0.00 H new ATOM 346 N GLY A 27 54.948 130.171 64.930 1.00 0.00 N ATOM 347 CA GLY A 27 55.699 129.249 65.835 1.00 0.00 C ATOM 348 C GLY A 27 54.716 128.454 66.697 1.00 0.00 C ATOM 349 O GLY A 27 55.032 128.042 67.798 1.00 0.00 O ATOM 0 H GLY A 27 55.011 129.946 63.937 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.314 128.568 65.246 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.375 129.820 66.471 1.00 0.00 H new ATOM 353 N ARG A 28 53.525 128.237 66.202 1.00 0.00 N ATOM 354 CA ARG A 28 52.508 127.469 66.978 1.00 0.00 C ATOM 355 C ARG A 28 52.070 126.231 66.193 1.00 0.00 C ATOM 356 O ARG A 28 51.168 126.293 65.375 1.00 0.00 O ATOM 357 CB ARG A 28 51.339 128.437 67.169 1.00 0.00 C ATOM 358 CG ARG A 28 51.432 129.089 68.550 1.00 0.00 C ATOM 359 CD ARG A 28 50.112 129.795 68.872 1.00 0.00 C ATOM 360 NE ARG A 28 50.173 131.085 68.129 1.00 0.00 N ATOM 361 CZ ARG A 28 49.418 132.084 68.496 1.00 0.00 C ATOM 362 NH1 ARG A 28 49.347 132.421 69.755 1.00 0.00 N ATOM 363 NH2 ARG A 28 48.733 132.747 67.604 1.00 0.00 N ATOM 0 H ARG A 28 53.212 128.561 65.287 1.00 0.00 H new ATOM 0 HA ARG A 28 52.896 127.113 67.933 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.357 129.202 66.393 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.393 127.905 67.070 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.647 128.334 69.306 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.254 129.805 68.571 1.00 0.00 H new ATOM 0 HD2 ARG A 28 49.257 129.197 68.555 1.00 0.00 H new ATOM 0 HD3 ARG A 28 50.005 129.962 69.944 1.00 0.00 H new ATOM 0 HE ARG A 28 50.804 131.187 67.334 1.00 0.00 H new ATOM 0 HH11 ARG A 28 49.882 131.903 70.452 1.00 0.00 H new ATOM 0 HH12 ARG A 28 48.757 133.202 70.041 1.00 0.00 H new ATOM 0 HH21 ARG A 28 48.788 132.484 66.620 1.00 0.00 H new ATOM 0 HH22 ARG A 28 48.143 133.528 67.891 1.00 0.00 H new ATOM 377 N TYR A 29 52.690 125.107 66.446 1.00 46.07 N ATOM 378 CA TYR A 29 52.309 123.851 65.730 1.00 43.41 C ATOM 379 C TYR A 29 51.500 122.956 66.673 1.00 41.37 C ATOM 380 O TYR A 29 51.872 122.756 67.814 1.00 39.95 O ATOM 381 CB TYR A 29 53.631 123.172 65.355 1.00 43.56 C ATOM 382 CG TYR A 29 54.485 124.103 64.524 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.291 125.060 65.153 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.478 124.004 63.127 1.00 44.01 C ATOM 385 CE1 TYR A 29 56.088 125.919 64.386 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.275 124.863 62.361 1.00 42.98 C ATOM 387 CZ TYR A 29 56.079 125.819 62.990 1.00 43.35 C ATOM 388 OH TYR A 29 56.865 126.666 62.234 1.00 43.13 O ATOM 0 H TYR A 29 53.448 125.004 67.121 1.00 46.07 H new ATOM 0 HA TYR A 29 51.698 124.045 64.848 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.169 122.885 66.259 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.432 122.257 64.798 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.298 125.136 66.230 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.858 123.265 62.641 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.709 126.658 64.871 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.269 124.787 61.284 1.00 42.98 H new ATOM 0 HH TYR A 29 56.364 127.483 62.031 1.00 43.13 H new ATOM 398 N ALA A 30 50.392 122.432 66.213 1.00 0.00 N ATOM 399 CA ALA A 30 49.558 121.565 67.100 1.00 0.00 C ATOM 400 C ALA A 30 49.516 120.122 66.589 1.00 0.00 C ATOM 401 O ALA A 30 49.076 119.857 65.486 1.00 0.00 O ATOM 402 CB ALA A 30 48.163 122.189 67.071 1.00 0.00 C ATOM 0 H ALA A 30 50.031 122.566 65.269 1.00 0.00 H new ATOM 0 HA ALA A 30 49.966 121.516 68.110 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.491 121.607 67.701 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.214 123.212 67.444 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.788 122.194 66.048 1.00 0.00 H new ATOM 408 N PHE A 31 49.961 119.188 67.391 1.00 36.58 N ATOM 409 CA PHE A 31 49.936 117.755 66.971 1.00 36.29 C ATOM 410 C PHE A 31 49.003 116.960 67.890 1.00 35.25 C ATOM 411 O PHE A 31 49.065 117.087 69.099 1.00 34.09 O ATOM 412 CB PHE A 31 51.372 117.251 67.132 1.00 36.39 C ATOM 413 CG PHE A 31 52.270 117.899 66.108 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.865 119.135 66.383 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.514 117.262 64.885 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.704 119.734 65.436 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.351 117.861 63.938 1.00 37.25 C ATOM 418 CZ PHE A 31 53.947 119.097 64.214 1.00 36.45 C ATOM 0 H PHE A 31 50.342 119.358 68.322 1.00 36.58 H new ATOM 0 HA PHE A 31 49.577 117.640 65.948 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.733 117.474 68.136 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.400 116.167 67.017 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.677 119.627 67.326 1.00 38.88 H new ATOM 0 HD2 PHE A 31 52.056 116.307 64.673 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.164 120.688 65.649 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.537 117.370 62.994 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.595 119.559 63.484 1.00 36.45 H new ATOM 428 N ALA A 32 48.161 116.126 67.335 1.00 34.06 N ATOM 429 CA ALA A 32 47.245 115.300 68.179 1.00 32.35 C ATOM 430 C ALA A 32 47.663 113.837 68.056 1.00 31.25 C ATOM 431 O ALA A 32 47.901 113.356 66.963 1.00 31.96 O ATOM 432 CB ALA A 32 45.851 115.514 67.590 1.00 32.65 C ATOM 0 H ALA A 32 48.068 115.981 66.330 1.00 34.06 H new ATOM 0 HA ALA A 32 47.271 115.572 69.234 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.123 114.937 68.160 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.594 116.572 67.639 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.841 115.186 66.551 1.00 32.65 H new ATOM 438 N TYR A 33 47.781 113.125 69.152 1.00 29.03 N ATOM 439 CA TYR A 33 48.215 111.695 69.048 1.00 27.15 C ATOM 440 C TYR A 33 47.256 110.759 69.790 1.00 26.72 C ATOM 441 O TYR A 33 46.739 111.085 70.842 1.00 28.24 O ATOM 442 CB TYR A 33 49.638 111.655 69.637 1.00 26.09 C ATOM 443 CG TYR A 33 49.625 111.815 71.145 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.395 113.069 71.721 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.858 110.702 71.961 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.396 113.207 73.114 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.863 110.841 73.352 1.00 25.85 C ATOM 448 CZ TYR A 33 49.631 112.093 73.930 1.00 27.60 C ATOM 449 OH TYR A 33 49.638 112.229 75.303 1.00 28.81 O ATOM 0 H TYR A 33 47.600 113.464 70.097 1.00 29.03 H new ATOM 0 HA TYR A 33 48.206 111.345 68.016 1.00 27.15 H new ATOM 0 HB2 TYR A 33 50.114 110.710 69.375 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.239 112.448 69.192 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.217 113.929 71.092 1.00 24.81 H new ATOM 0 HD2 TYR A 33 50.034 109.734 71.515 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.215 114.174 73.560 1.00 25.46 H new ATOM 0 HE2 TYR A 33 50.046 109.982 73.980 1.00 25.85 H new ATOM 0 HH TYR A 33 48.716 112.266 75.633 1.00 28.81 H new ATOM 459 N SER A 34 47.031 109.590 69.244 1.00 0.00 N ATOM 460 CA SER A 34 46.122 108.610 69.902 1.00 0.00 C ATOM 461 C SER A 34 46.954 107.480 70.508 1.00 0.00 C ATOM 462 O SER A 34 47.921 107.035 69.926 1.00 0.00 O ATOM 463 CB SER A 34 45.224 108.083 68.784 1.00 0.00 C ATOM 464 OG SER A 34 44.448 109.153 68.260 1.00 0.00 O ATOM 0 H SER A 34 47.442 109.273 68.366 1.00 0.00 H new ATOM 0 HA SER A 34 45.535 109.052 70.707 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.830 107.638 67.995 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.571 107.298 69.166 1.00 0.00 H new ATOM 0 HG SER A 34 43.872 108.818 67.541 1.00 0.00 H new ATOM 470 N ILE A 35 46.594 107.032 71.679 1.00 0.00 N ATOM 471 CA ILE A 35 47.371 105.944 72.351 1.00 0.00 C ATOM 472 C ILE A 35 46.597 104.625 72.368 1.00 0.00 C ATOM 473 O ILE A 35 45.423 104.577 72.686 1.00 0.00 O ATOM 474 CB ILE A 35 47.559 106.447 73.788 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.333 107.769 73.771 1.00 0.00 C ATOM 476 CG2 ILE A 35 48.352 105.416 74.602 1.00 0.00 C ATOM 477 CD1 ILE A 35 48.375 108.351 75.183 1.00 0.00 C ATOM 0 H ILE A 35 45.790 107.373 72.205 1.00 0.00 H new ATOM 0 HA ILE A 35 48.309 105.744 71.833 1.00 0.00 H new ATOM 0 HB ILE A 35 46.580 106.596 74.242 1.00 0.00 H new ATOM 0 HG12 ILE A 35 49.346 107.605 73.403 1.00 0.00 H new ATOM 0 HG13 ILE A 35 47.856 108.473 73.089 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.482 105.779 75.621 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.809 104.471 74.620 1.00 0.00 H new ATOM 0 HG23 ILE A 35 49.329 105.264 74.144 1.00 0.00 H new ATOM 0 HD11 ILE A 35 48.925 109.292 75.173 1.00 0.00 H new ATOM 0 HD12 ILE A 35 47.358 108.529 75.533 1.00 0.00 H new ATOM 0 HD13 ILE A 35 48.871 107.648 75.852 1.00 0.00 H new ATOM 489 N ARG A 36 47.274 103.557 72.034 1.00 25.30 N ATOM 490 CA ARG A 36 46.626 102.217 72.026 1.00 25.64 C ATOM 491 C ARG A 36 47.420 101.251 72.913 1.00 23.79 C ATOM 492 O ARG A 36 48.422 100.694 72.511 1.00 25.11 O ATOM 493 CB ARG A 36 46.654 101.763 70.565 1.00 28.66 C ATOM 494 CG ARG A 36 45.537 102.465 69.792 1.00 34.24 C ATOM 495 CD ARG A 36 45.423 101.859 68.391 1.00 37.45 C ATOM 496 NE ARG A 36 46.275 102.721 67.528 1.00 40.12 N ATOM 497 CZ ARG A 36 47.519 102.395 67.303 1.00 40.24 C ATOM 498 NH1 ARG A 36 47.826 101.163 66.998 1.00 39.81 N ATOM 499 NH2 ARG A 36 48.456 103.299 67.385 1.00 39.07 N ATOM 0 H ARG A 36 48.258 103.559 71.764 1.00 25.30 H new ATOM 0 HA ARG A 36 45.608 102.245 72.415 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.621 101.996 70.119 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.528 100.682 70.506 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.591 102.359 70.323 1.00 34.24 H new ATOM 0 HG3 ARG A 36 45.745 103.533 69.722 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.768 100.825 68.379 1.00 37.45 H new ATOM 0 HD3 ARG A 36 44.389 101.854 68.046 1.00 37.45 H new ATOM 0 HE ARG A 36 45.887 103.567 67.112 1.00 40.12 H new ATOM 0 HH11 ARG A 36 47.094 100.455 66.936 1.00 39.81 H new ATOM 0 HH12 ARG A 36 48.798 100.908 66.822 1.00 39.81 H new ATOM 0 HH21 ARG A 36 48.217 104.261 67.625 1.00 39.07 H new ATOM 0 HH22 ARG A 36 49.428 103.044 67.209 1.00 39.07 H new ATOM 513 N ILE A 37 46.965 101.061 74.121 1.00 20.73 N ATOM 514 CA ILE A 37 47.659 100.145 75.077 1.00 18.17 C ATOM 515 C ILE A 37 47.046 98.741 75.025 1.00 17.71 C ATOM 516 O ILE A 37 45.890 98.551 75.345 1.00 15.34 O ATOM 517 CB ILE A 37 47.425 100.776 76.456 1.00 15.47 C ATOM 518 CG1 ILE A 37 48.023 102.188 76.484 1.00 14.77 C ATOM 519 CG2 ILE A 37 48.100 99.926 77.536 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.579 102.912 77.758 1.00 16.07 C ATOM 0 H ILE A 37 46.128 101.508 74.494 1.00 20.73 H new ATOM 0 HA ILE A 37 48.718 100.032 74.842 1.00 18.17 H new ATOM 0 HB ILE A 37 46.353 100.826 76.647 1.00 15.47 H new ATOM 0 HG12 ILE A 37 49.111 102.133 76.446 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.701 102.747 75.606 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.931 100.378 78.513 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.679 98.921 77.524 1.00 14.36 H new ATOM 0 HG23 ILE A 37 49.171 99.873 77.341 1.00 14.36 H new ATOM 0 HD11 ILE A 37 48.006 103.915 77.774 1.00 16.07 H new ATOM 0 HD12 ILE A 37 46.491 102.980 77.777 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.923 102.357 78.631 1.00 16.07 H new ATOM 532 N GLN A 38 47.820 97.752 74.655 1.00 0.00 N ATOM 533 CA GLN A 38 47.294 96.352 74.618 1.00 0.00 C ATOM 534 C GLN A 38 48.060 95.498 75.634 1.00 0.00 C ATOM 535 O GLN A 38 49.260 95.623 75.790 1.00 0.00 O ATOM 536 CB GLN A 38 47.503 95.849 73.184 1.00 0.00 C ATOM 537 CG GLN A 38 48.979 95.962 72.791 1.00 0.00 C ATOM 538 CD GLN A 38 49.234 95.140 71.526 1.00 0.00 C ATOM 539 OE1 GLN A 38 50.117 94.179 71.553 1.00 0.00 O flip ATOM 540 NE2 GLN A 38 48.621 95.373 70.503 1.00 0.00 N flip ATOM 0 H GLN A 38 48.796 97.853 74.376 1.00 0.00 H new ATOM 0 HA GLN A 38 46.238 96.298 74.882 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.177 94.812 73.104 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.891 96.430 72.495 1.00 0.00 H new ATOM 0 HG2 GLN A 38 49.242 97.006 72.619 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.611 95.604 73.604 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.931 96.124 70.482 1.00 0.00 H new ATOM 0 HE22 GLN A 38 48.796 94.818 69.666 1.00 0.00 H new ATOM 549 N ASN A 39 47.357 94.651 76.343 1.00 15.86 N ATOM 550 CA ASN A 39 48.021 93.799 77.376 1.00 17.88 C ATOM 551 C ASN A 39 48.479 92.469 76.773 1.00 18.37 C ATOM 552 O ASN A 39 47.675 91.676 76.320 1.00 18.69 O ATOM 553 CB ASN A 39 46.962 93.572 78.454 1.00 19.10 C ATOM 554 CG ASN A 39 47.593 92.854 79.648 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.539 92.107 79.492 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.108 93.049 80.843 1.00 19.13 N ATOM 0 H ASN A 39 46.351 94.513 76.251 1.00 15.86 H new ATOM 0 HA ASN A 39 48.914 94.276 77.781 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.541 94.526 78.771 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.141 92.979 78.052 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.523 92.575 81.645 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.314 93.676 80.975 1.00 19.13 H new ATOM 563 N ALA A 40 49.762 92.211 76.783 1.00 0.00 N ATOM 564 CA ALA A 40 50.278 90.921 76.233 1.00 0.00 C ATOM 565 C ALA A 40 50.925 90.078 77.346 1.00 0.00 C ATOM 566 O ALA A 40 51.561 89.076 77.076 1.00 0.00 O ATOM 567 CB ALA A 40 51.316 91.320 75.183 1.00 0.00 C ATOM 0 H ALA A 40 50.476 92.840 77.149 1.00 0.00 H new ATOM 0 HA ALA A 40 49.482 90.312 75.805 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.741 90.423 74.733 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.839 91.923 74.410 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.109 91.899 75.657 1.00 0.00 H new ATOM 573 N GLY A 41 50.768 90.471 78.592 1.00 27.60 N ATOM 574 CA GLY A 41 51.373 89.686 79.709 1.00 28.62 C ATOM 575 C GLY A 41 50.448 88.524 80.073 1.00 29.10 C ATOM 576 O GLY A 41 49.408 88.338 79.469 1.00 28.18 O ATOM 0 H GLY A 41 50.247 91.300 78.878 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.352 89.307 79.414 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.528 90.327 80.577 1.00 28.62 H new ATOM 580 N ALA A 42 50.818 87.739 81.055 1.00 0.00 N ATOM 581 CA ALA A 42 49.960 86.585 81.458 1.00 0.00 C ATOM 582 C ALA A 42 49.044 86.983 82.612 1.00 0.00 C ATOM 583 O ALA A 42 47.924 86.520 82.721 1.00 0.00 O ATOM 584 CB ALA A 42 50.940 85.500 81.903 1.00 0.00 C ATOM 0 H ALA A 42 51.677 87.849 81.594 1.00 0.00 H new ATOM 0 HA ALA A 42 49.317 86.247 80.646 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.386 84.615 82.216 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.598 85.241 81.073 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.536 85.868 82.738 1.00 0.00 H new ATOM 590 N VAL A 43 49.522 87.837 83.473 1.00 0.00 N ATOM 591 CA VAL A 43 48.698 88.282 84.640 1.00 0.00 C ATOM 592 C VAL A 43 48.155 89.698 84.389 1.00 0.00 C ATOM 593 O VAL A 43 48.853 90.540 83.859 1.00 0.00 O ATOM 594 CB VAL A 43 49.662 88.250 85.835 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.956 88.742 87.100 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.146 86.814 86.054 1.00 0.00 C ATOM 0 H VAL A 43 50.453 88.250 83.421 1.00 0.00 H new ATOM 0 HA VAL A 43 47.829 87.647 84.814 1.00 0.00 H new ATOM 0 HB VAL A 43 50.509 88.903 85.625 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.651 88.714 87.939 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.610 89.765 86.949 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.103 88.098 87.314 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.831 86.786 86.902 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.291 86.169 86.257 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.661 86.463 85.160 1.00 0.00 H new ATOM 606 N PRO A 44 46.909 89.909 84.771 1.00 21.08 N ATOM 607 CA PRO A 44 46.297 91.261 84.547 1.00 21.01 C ATOM 608 C PRO A 44 47.173 92.385 85.114 1.00 21.95 C ATOM 609 O PRO A 44 47.805 92.244 86.148 1.00 21.40 O ATOM 610 CB PRO A 44 44.957 91.188 85.277 1.00 20.53 C ATOM 611 CG PRO A 44 45.150 90.126 86.298 1.00 18.90 C ATOM 612 CD PRO A 44 46.039 89.104 85.651 1.00 19.89 C ATOM 0 HA PRO A 44 46.189 91.490 83.487 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.704 92.142 85.739 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.145 90.939 84.594 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.608 90.529 87.201 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.197 89.687 86.592 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.618 88.551 86.390 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.463 88.372 85.085 1.00 19.89 H new ATOM 620 N ALA A 45 47.213 93.496 84.425 1.00 20.91 N ATOM 621 CA ALA A 45 48.043 94.647 84.882 1.00 19.47 C ATOM 622 C ALA A 45 47.309 95.975 84.662 1.00 19.21 C ATOM 623 O ALA A 45 46.486 96.108 83.773 1.00 19.53 O ATOM 624 CB ALA A 45 49.291 94.586 84.004 1.00 18.37 C ATOM 0 H ALA A 45 46.701 93.655 83.557 1.00 20.91 H new ATOM 0 HA ALA A 45 48.270 94.591 85.947 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.964 95.401 84.271 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.797 93.633 84.157 1.00 18.37 H new ATOM 0 HB3 ALA A 45 49.004 94.681 82.957 1.00 18.37 H new ATOM 630 N ARG A 46 47.610 96.953 85.474 1.00 0.00 N ATOM 631 CA ARG A 46 46.948 98.284 85.337 1.00 0.00 C ATOM 632 C ARG A 46 48.005 99.391 85.270 1.00 0.00 C ATOM 633 O ARG A 46 49.128 99.210 85.702 1.00 0.00 O ATOM 634 CB ARG A 46 46.080 98.429 86.594 1.00 0.00 C ATOM 635 CG ARG A 46 46.957 98.387 87.851 1.00 0.00 C ATOM 636 CD ARG A 46 46.072 98.530 89.092 1.00 0.00 C ATOM 637 NE ARG A 46 47.023 98.644 90.233 1.00 0.00 N ATOM 638 CZ ARG A 46 47.116 97.677 91.104 1.00 0.00 C ATOM 639 NH1 ARG A 46 47.732 96.570 90.788 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.594 97.816 92.291 1.00 0.00 N ATOM 0 H ARG A 46 48.290 96.887 86.231 1.00 0.00 H new ATOM 0 HA ARG A 46 46.353 98.362 84.427 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.529 99.369 86.558 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.342 97.628 86.630 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.510 97.449 87.891 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.694 99.190 87.821 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.433 99.410 89.022 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.416 97.668 89.210 1.00 0.00 H new ATOM 0 HE ARG A 46 47.601 99.478 90.333 1.00 0.00 H new ATOM 0 HH11 ARG A 46 48.141 96.461 89.860 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.804 95.814 91.469 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.113 98.681 92.539 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.667 97.060 92.972 1.00 0.00 H new ATOM 654 N LEU A 47 47.653 100.536 84.740 1.00 0.00 N ATOM 655 CA LEU A 47 48.638 101.654 84.654 1.00 0.00 C ATOM 656 C LEU A 47 48.419 102.610 85.827 1.00 0.00 C ATOM 657 O LEU A 47 47.383 103.237 85.944 1.00 0.00 O ATOM 658 CB LEU A 47 48.342 102.351 83.324 1.00 0.00 C ATOM 659 CG LEU A 47 49.513 103.266 82.953 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.420 103.639 81.473 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.460 104.539 83.802 1.00 0.00 C ATOM 0 H LEU A 47 46.728 100.743 84.364 1.00 0.00 H new ATOM 0 HA LEU A 47 49.671 101.310 84.700 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.184 101.610 82.541 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.423 102.933 83.403 1.00 0.00 H new ATOM 0 HG LEU A 47 50.452 102.744 83.140 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.253 104.290 81.209 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.460 102.734 80.867 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.480 104.159 81.287 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.294 105.188 83.536 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.521 105.061 83.617 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.527 104.275 84.858 1.00 0.00 H new ATOM 673 N VAL A 48 49.385 102.714 86.700 1.00 0.00 N ATOM 674 CA VAL A 48 49.243 103.619 87.881 1.00 0.00 C ATOM 675 C VAL A 48 49.986 104.941 87.658 1.00 0.00 C ATOM 676 O VAL A 48 49.643 105.948 88.248 1.00 0.00 O ATOM 677 CB VAL A 48 49.841 102.851 89.064 1.00 0.00 C ATOM 678 CG1 VAL A 48 49.042 101.568 89.294 1.00 0.00 C ATOM 679 CG2 VAL A 48 51.299 102.493 88.775 1.00 0.00 C ATOM 0 H VAL A 48 50.270 102.210 86.647 1.00 0.00 H new ATOM 0 HA VAL A 48 48.200 103.882 88.057 1.00 0.00 H new ATOM 0 HB VAL A 48 49.796 103.479 89.954 1.00 0.00 H new ATOM 0 HG11 VAL A 48 49.467 101.021 90.136 1.00 0.00 H new ATOM 0 HG12 VAL A 48 48.004 101.820 89.512 1.00 0.00 H new ATOM 0 HG13 VAL A 48 49.085 100.947 88.399 1.00 0.00 H new ATOM 0 HG21 VAL A 48 51.714 101.947 89.622 1.00 0.00 H new ATOM 0 HG22 VAL A 48 51.351 101.870 87.882 1.00 0.00 H new ATOM 0 HG23 VAL A 48 51.873 103.406 88.615 1.00 0.00 H new ATOM 689 N ALA A 49 51.011 104.950 86.834 1.00 0.00 N ATOM 690 CA ALA A 49 51.766 106.224 86.615 1.00 0.00 C ATOM 691 C ALA A 49 52.211 106.377 85.154 1.00 0.00 C ATOM 692 O ALA A 49 52.234 105.430 84.392 1.00 0.00 O ATOM 693 CB ALA A 49 52.980 106.128 87.540 1.00 0.00 C ATOM 0 H ALA A 49 51.352 104.143 86.312 1.00 0.00 H new ATOM 0 HA ALA A 49 51.146 107.095 86.830 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.587 107.028 87.438 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.644 106.032 88.572 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.575 105.256 87.270 1.00 0.00 H new ATOM 699 N ARG A 50 52.566 107.577 84.776 1.00 18.13 N ATOM 700 CA ARG A 50 53.018 107.843 83.376 1.00 20.89 C ATOM 701 C ARG A 50 54.111 108.920 83.350 1.00 22.46 C ATOM 702 O ARG A 50 54.077 109.882 84.094 1.00 23.35 O ATOM 703 CB ARG A 50 51.761 108.324 82.637 1.00 21.09 C ATOM 704 CG ARG A 50 51.259 109.641 83.240 1.00 22.20 C ATOM 705 CD ARG A 50 49.861 109.944 82.700 1.00 26.75 C ATOM 706 NE ARG A 50 49.393 111.122 83.480 1.00 26.68 N ATOM 707 CZ ARG A 50 49.522 112.323 82.987 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.646 112.777 82.133 1.00 27.75 N ATOM 709 NH2 ARG A 50 50.528 113.072 83.348 1.00 29.05 N ATOM 0 H ARG A 50 52.562 108.395 85.385 1.00 18.13 H new ATOM 0 HA ARG A 50 53.451 106.957 82.912 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.984 108.462 81.579 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.981 107.566 82.702 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.234 109.570 84.327 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.942 110.453 82.989 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.889 110.163 81.633 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.194 109.092 82.833 1.00 26.75 H new ATOM 0 HE ARG A 50 48.972 110.990 84.400 1.00 26.68 H new ATOM 0 HH11 ARG A 50 47.859 112.193 81.850 1.00 27.75 H new ATOM 0 HH12 ARG A 50 48.748 113.716 81.748 1.00 27.75 H new ATOM 0 HH21 ARG A 50 51.213 112.718 84.016 1.00 29.05 H new ATOM 0 HH22 ARG A 50 50.629 114.011 82.963 1.00 29.05 H new ATOM 723 N HIS A 51 55.078 108.751 82.483 1.00 22.89 N ATOM 724 CA HIS A 51 56.190 109.741 82.368 1.00 23.99 C ATOM 725 C HIS A 51 56.622 109.851 80.900 1.00 24.58 C ATOM 726 O HIS A 51 57.107 108.904 80.312 1.00 24.14 O ATOM 727 CB HIS A 51 57.316 109.180 83.242 1.00 22.92 C ATOM 728 CG HIS A 51 58.513 110.094 83.187 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.776 109.679 83.582 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.656 111.398 82.783 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.615 110.716 83.408 1.00 26.28 C ATOM 732 NE2 HIS A 51 59.985 111.788 82.923 1.00 25.48 N ATOM 0 H HIS A 51 55.144 107.959 81.843 1.00 22.89 H new ATOM 0 HA HIS A 51 55.906 110.742 82.691 1.00 23.99 H new ATOM 0 HB2 HIS A 51 56.973 109.078 84.271 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.593 108.183 82.898 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.023 108.756 83.939 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.859 112.026 82.413 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.671 110.685 83.633 1.00 26.28 H new ATOM 740 N TRP A 52 56.430 111.000 80.306 1.00 24.73 N ATOM 741 CA TRP A 52 56.803 111.193 78.872 1.00 24.73 C ATOM 742 C TRP A 52 58.170 111.873 78.727 1.00 25.24 C ATOM 743 O TRP A 52 58.468 112.844 79.398 1.00 25.25 O ATOM 744 CB TRP A 52 55.723 112.125 78.322 1.00 22.37 C ATOM 745 CG TRP A 52 54.470 111.358 78.054 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.325 111.467 78.765 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.213 110.372 77.013 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.380 110.614 78.225 1.00 19.65 N ATOM 749 CE2 TRP A 52 52.881 109.916 77.143 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.000 109.835 75.977 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.347 108.964 76.277 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.466 108.874 75.103 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.141 108.440 75.254 1.00 18.33 C ATOM 0 H TRP A 52 56.027 111.821 80.757 1.00 24.73 H new ATOM 0 HA TRP A 52 56.870 110.239 78.350 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.524 112.924 79.036 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.073 112.597 77.404 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.173 112.115 79.616 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.430 110.513 78.582 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.021 110.164 75.853 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.326 108.633 76.396 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.078 108.468 74.311 1.00 19.43 H new ATOM 0 HH2 TRP A 52 52.735 107.701 74.580 1.00 18.33 H new ATOM 764 N GLN A 53 58.989 111.374 77.838 1.00 0.00 N ATOM 765 CA GLN A 53 60.335 111.982 77.611 1.00 0.00 C ATOM 766 C GLN A 53 60.397 112.545 76.188 1.00 0.00 C ATOM 767 O GLN A 53 60.984 111.956 75.299 1.00 0.00 O ATOM 768 CB GLN A 53 61.327 110.829 77.773 1.00 0.00 C ATOM 769 CG GLN A 53 61.387 110.404 79.241 1.00 0.00 C ATOM 770 CD GLN A 53 62.461 109.329 79.417 1.00 0.00 C ATOM 771 OE1 GLN A 53 62.176 108.241 80.076 1.00 0.00 O flip ATOM 772 NE2 GLN A 53 63.571 109.480 78.947 1.00 0.00 N flip ATOM 0 H GLN A 53 58.781 110.564 77.254 1.00 0.00 H new ATOM 0 HA GLN A 53 60.553 112.797 78.301 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.024 109.986 77.152 1.00 0.00 H new ATOM 0 HB3 GLN A 53 62.316 111.136 77.433 1.00 0.00 H new ATOM 0 HG2 GLN A 53 61.612 111.265 79.871 1.00 0.00 H new ATOM 0 HG3 GLN A 53 60.418 110.020 79.560 1.00 0.00 H new ATOM 0 HE21 GLN A 53 63.795 110.331 78.431 1.00 0.00 H new ATOM 0 HE22 GLN A 53 64.279 108.756 79.068 1.00 0.00 H new ATOM 781 N ILE A 54 59.771 113.673 75.962 1.00 28.56 N ATOM 782 CA ILE A 54 59.762 114.281 74.593 1.00 31.69 C ATOM 783 C ILE A 54 60.986 115.180 74.350 1.00 31.35 C ATOM 784 O ILE A 54 61.314 116.042 75.143 1.00 31.20 O ATOM 785 CB ILE A 54 58.436 115.077 74.503 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.468 116.316 75.412 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.254 114.186 74.906 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.224 117.169 75.150 1.00 36.11 C ATOM 0 H ILE A 54 59.263 114.203 76.670 1.00 28.56 H new ATOM 0 HA ILE A 54 59.822 113.514 73.820 1.00 31.69 H new ATOM 0 HB ILE A 54 58.316 115.404 73.470 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.501 116.013 76.458 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.369 116.898 75.220 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.328 114.757 74.839 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.200 113.328 74.236 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.392 113.839 75.930 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.244 118.049 75.793 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.211 117.483 74.106 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.330 116.583 75.364 1.00 36.11 H new ATOM 800 N THR A 55 61.645 114.988 73.236 1.00 32.39 N ATOM 801 CA THR A 55 62.827 115.836 72.889 1.00 32.79 C ATOM 802 C THR A 55 62.533 116.556 71.573 1.00 33.98 C ATOM 803 O THR A 55 62.056 115.964 70.623 1.00 33.62 O ATOM 804 CB THR A 55 64.016 114.885 72.755 1.00 32.44 C ATOM 805 OG1 THR A 55 64.046 114.005 73.870 1.00 30.14 O ATOM 806 CG2 THR A 55 65.315 115.691 72.702 1.00 31.51 C ATOM 0 H THR A 55 61.413 114.274 72.546 1.00 32.39 H new ATOM 0 HA THR A 55 63.043 116.592 73.644 1.00 32.79 H new ATOM 0 HB THR A 55 63.915 114.305 71.838 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.807 113.394 73.784 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.161 115.011 72.606 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.291 116.363 71.845 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.419 116.274 73.617 1.00 31.51 H new ATOM 814 N ASP A 56 62.790 117.840 71.526 1.00 36.19 N ATOM 815 CA ASP A 56 62.498 118.617 70.288 1.00 38.66 C ATOM 816 C ASP A 56 63.677 118.569 69.309 1.00 38.50 C ATOM 817 O ASP A 56 64.755 118.108 69.631 1.00 37.75 O ATOM 818 CB ASP A 56 62.235 120.046 70.762 1.00 41.21 C ATOM 819 CG ASP A 56 61.585 120.850 69.633 1.00 42.74 C ATOM 820 OD1 ASP A 56 60.811 120.271 68.889 1.00 45.04 O ATOM 821 OD2 ASP A 56 61.873 122.031 69.532 1.00 43.86 O ATOM 0 H ASP A 56 63.189 118.381 72.293 1.00 36.19 H new ATOM 0 HA ASP A 56 61.645 118.206 69.748 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.584 120.036 71.636 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.170 120.517 71.066 1.00 41.21 H new ATOM 826 N GLY A 57 63.457 119.033 68.107 1.00 37.51 N ATOM 827 CA GLY A 57 64.524 119.021 67.061 1.00 38.01 C ATOM 828 C GLY A 57 65.747 119.864 67.470 1.00 39.47 C ATOM 829 O GLY A 57 66.766 119.819 66.804 1.00 38.99 O ATOM 0 H GLY A 57 62.567 119.427 67.800 1.00 37.51 H new ATOM 0 HA2 GLY A 57 64.838 117.994 66.876 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.117 119.404 66.125 1.00 38.01 H new ATOM 833 N ASN A 58 65.683 120.614 68.550 1.00 0.00 N ATOM 834 CA ASN A 58 66.875 121.419 68.964 1.00 0.00 C ATOM 835 C ASN A 58 67.633 120.726 70.112 1.00 0.00 C ATOM 836 O ASN A 58 68.557 121.281 70.673 1.00 0.00 O ATOM 837 CB ASN A 58 66.323 122.774 69.407 1.00 0.00 C ATOM 838 CG ASN A 58 66.113 123.665 68.180 1.00 0.00 C ATOM 839 OD1 ASN A 58 67.053 124.225 67.654 1.00 0.00 O ATOM 840 ND2 ASN A 58 64.910 123.820 67.701 1.00 0.00 N ATOM 0 H ASN A 58 64.866 120.701 69.154 1.00 0.00 H new ATOM 0 HA ASN A 58 67.590 121.528 68.149 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.380 122.639 69.937 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.014 123.251 70.102 1.00 0.00 H new ATOM 0 HD21 ASN A 58 64.759 124.412 66.884 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.120 123.349 68.143 1.00 0.00 H new ATOM 847 N GLY A 59 67.264 119.508 70.448 1.00 0.00 N ATOM 848 CA GLY A 59 67.980 118.775 71.535 1.00 0.00 C ATOM 849 C GLY A 59 67.299 119.001 72.889 1.00 0.00 C ATOM 850 O GLY A 59 67.448 118.204 73.797 1.00 0.00 O ATOM 0 H GLY A 59 66.497 118.994 70.014 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.001 117.709 71.308 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.016 119.111 71.584 1.00 0.00 H new ATOM 854 N ARG A 60 66.558 120.074 73.041 1.00 49.10 N ATOM 855 CA ARG A 60 65.879 120.332 74.353 1.00 50.05 C ATOM 856 C ARG A 60 64.918 119.183 74.675 1.00 49.79 C ATOM 857 O ARG A 60 64.275 118.641 73.796 1.00 48.27 O ATOM 858 CB ARG A 60 65.104 121.643 74.157 1.00 52.38 C ATOM 859 CG ARG A 60 65.792 122.782 74.928 1.00 55.08 C ATOM 860 CD ARG A 60 66.425 123.770 73.940 1.00 57.97 C ATOM 861 NE ARG A 60 65.289 124.294 73.131 1.00 60.72 N ATOM 862 CZ ARG A 60 65.417 125.415 72.477 1.00 61.65 C ATOM 863 NH1 ARG A 60 66.381 125.558 71.607 1.00 62.78 N ATOM 864 NH2 ARG A 60 64.582 126.394 72.691 1.00 61.80 N ATOM 0 H ARG A 60 66.395 120.777 72.320 1.00 49.10 H new ATOM 0 HA ARG A 60 66.587 120.403 75.179 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.053 121.890 73.097 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.078 121.524 74.506 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.067 123.297 75.557 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.557 122.375 75.590 1.00 55.08 H new ATOM 0 HD2 ARG A 60 66.940 124.575 74.464 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.164 123.277 73.308 1.00 57.97 H new ATOM 0 HE ARG A 60 64.411 123.776 73.089 1.00 60.72 H new ATOM 0 HH11 ARG A 60 67.034 124.793 71.439 1.00 62.78 H new ATOM 0 HH12 ARG A 60 66.481 126.435 71.096 1.00 62.78 H new ATOM 0 HH21 ARG A 60 63.829 126.283 73.370 1.00 61.80 H new ATOM 0 HH22 ARG A 60 64.682 127.271 72.179 1.00 61.80 H new ATOM 878 N THR A 61 64.826 118.798 75.926 1.00 0.00 N ATOM 879 CA THR A 61 63.916 117.672 76.295 1.00 0.00 C ATOM 880 C THR A 61 62.952 118.098 77.403 1.00 0.00 C ATOM 881 O THR A 61 63.322 118.823 78.308 1.00 0.00 O ATOM 882 CB THR A 61 64.845 116.567 76.806 1.00 0.00 C ATOM 883 OG1 THR A 61 65.605 117.060 77.901 1.00 0.00 O ATOM 884 CG2 THR A 61 65.788 116.122 75.686 1.00 0.00 C ATOM 0 H THR A 61 65.340 119.214 76.703 1.00 0.00 H new ATOM 0 HA THR A 61 63.307 117.349 75.451 1.00 0.00 H new ATOM 0 HB THR A 61 64.248 115.714 77.130 1.00 0.00 H new ATOM 0 HG1 THR A 61 66.199 116.354 78.231 1.00 0.00 H new ATOM 0 HG21 THR A 61 66.446 115.336 76.056 1.00 0.00 H new ATOM 0 HG22 THR A 61 65.204 115.742 74.848 1.00 0.00 H new ATOM 0 HG23 THR A 61 66.387 116.971 75.356 1.00 0.00 H new ATOM 892 N GLU A 62 61.722 117.654 77.344 1.00 0.00 N ATOM 893 CA GLU A 62 60.736 118.034 78.398 1.00 0.00 C ATOM 894 C GLU A 62 60.161 116.776 79.053 1.00 0.00 C ATOM 895 O GLU A 62 59.563 115.939 78.401 1.00 0.00 O ATOM 896 CB GLU A 62 59.643 118.809 77.661 1.00 0.00 C ATOM 897 CG GLU A 62 58.594 119.298 78.666 1.00 0.00 C ATOM 898 CD GLU A 62 57.490 120.078 77.940 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.734 120.535 76.833 1.00 0.00 O ATOM 900 OE2 GLU A 62 56.419 120.210 78.508 1.00 0.00 O ATOM 0 H GLU A 62 61.359 117.045 76.611 1.00 0.00 H new ATOM 0 HA GLU A 62 61.185 118.630 79.193 1.00 0.00 H new ATOM 0 HB2 GLU A 62 60.078 119.657 77.132 1.00 0.00 H new ATOM 0 HB3 GLU A 62 59.174 118.172 76.911 1.00 0.00 H new ATOM 0 HG2 GLU A 62 58.162 118.448 79.195 1.00 0.00 H new ATOM 0 HG3 GLU A 62 59.066 119.933 79.416 1.00 0.00 H new ATOM 907 N GLN A 63 60.349 116.638 80.340 1.00 0.00 N ATOM 908 CA GLN A 63 59.830 115.439 81.060 1.00 0.00 C ATOM 909 C GLN A 63 58.587 115.796 81.880 1.00 0.00 C ATOM 910 O GLN A 63 58.556 116.795 82.573 1.00 0.00 O ATOM 911 CB GLN A 63 60.971 115.036 81.995 1.00 0.00 C ATOM 912 CG GLN A 63 62.133 114.476 81.172 1.00 0.00 C ATOM 913 CD GLN A 63 63.275 114.074 82.108 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.565 114.768 83.063 1.00 0.00 O ATOM 915 NE2 GLN A 63 63.939 112.977 81.873 1.00 0.00 N ATOM 0 H GLN A 63 60.844 117.310 80.926 1.00 0.00 H new ATOM 0 HA GLN A 63 59.539 114.642 80.376 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.303 115.898 82.573 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.624 114.289 82.709 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.801 113.613 80.595 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.480 115.223 80.458 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.695 112.395 81.072 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.702 112.701 82.491 1.00 0.00 H new ATOM 924 N VAL A 64 57.566 114.981 81.805 1.00 37.94 N ATOM 925 CA VAL A 64 56.320 115.263 82.579 1.00 37.05 C ATOM 926 C VAL A 64 55.928 114.030 83.399 1.00 36.89 C ATOM 927 O VAL A 64 55.881 112.926 82.897 1.00 36.32 O ATOM 928 CB VAL A 64 55.252 115.590 81.530 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.922 115.897 82.225 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.690 116.811 80.718 1.00 35.74 C ATOM 0 H VAL A 64 57.542 114.132 81.241 1.00 37.94 H new ATOM 0 HA VAL A 64 56.445 116.086 83.283 1.00 37.05 H new ATOM 0 HB VAL A 64 55.127 114.734 80.867 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.165 116.129 81.476 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.605 115.030 82.804 1.00 37.01 H new ATOM 0 HG13 VAL A 64 54.048 116.751 82.890 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.930 117.043 79.972 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.817 117.664 81.384 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.635 116.596 80.219 1.00 35.74 H new ATOM 940 N ASP A 65 55.657 114.225 84.663 1.00 0.00 N ATOM 941 CA ASP A 65 55.279 113.082 85.548 1.00 0.00 C ATOM 942 C ASP A 65 53.920 113.342 86.199 1.00 0.00 C ATOM 943 O ASP A 65 53.707 114.366 86.824 1.00 0.00 O ATOM 944 CB ASP A 65 56.377 113.030 86.609 1.00 0.00 C ATOM 945 CG ASP A 65 56.217 111.760 87.448 1.00 0.00 C ATOM 946 OD1 ASP A 65 55.262 111.689 88.203 1.00 0.00 O ATOM 947 OD2 ASP A 65 57.052 110.880 87.320 1.00 0.00 O ATOM 0 H ASP A 65 55.681 115.134 85.124 1.00 0.00 H new ATOM 0 HA ASP A 65 55.193 112.145 84.999 1.00 0.00 H new ATOM 0 HB2 ASP A 65 57.358 113.043 86.133 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.321 113.911 87.249 1.00 0.00 H new ATOM 952 N GLY A 66 53.003 112.419 86.064 1.00 31.82 N ATOM 953 CA GLY A 66 51.656 112.597 86.679 1.00 29.07 C ATOM 954 C GLY A 66 51.104 111.230 87.087 1.00 27.67 C ATOM 955 O GLY A 66 51.370 110.229 86.446 1.00 27.18 O ATOM 0 H GLY A 66 53.131 111.546 85.552 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.724 113.249 87.549 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.981 113.079 85.972 1.00 29.07 H new ATOM 959 N GLU A 67 50.338 111.180 88.147 1.00 0.00 N ATOM 960 CA GLU A 67 49.765 109.876 88.601 1.00 0.00 C ATOM 961 C GLU A 67 48.655 109.427 87.647 1.00 0.00 C ATOM 962 O GLU A 67 48.035 110.232 86.981 1.00 0.00 O ATOM 963 CB GLU A 67 49.196 110.149 89.996 1.00 0.00 C ATOM 964 CG GLU A 67 50.337 110.206 91.013 1.00 0.00 C ATOM 965 CD GLU A 67 51.012 111.577 90.948 1.00 0.00 C ATOM 966 OE1 GLU A 67 50.315 112.549 90.708 1.00 0.00 O ATOM 967 OE2 GLU A 67 52.216 111.632 91.142 1.00 0.00 O ATOM 0 H GLU A 67 50.084 111.986 88.718 1.00 0.00 H new ATOM 0 HA GLU A 67 50.512 109.083 88.617 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.646 111.090 89.998 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.489 109.366 90.271 1.00 0.00 H new ATOM 0 HG2 GLU A 67 49.953 110.026 92.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 51.064 109.421 90.804 1.00 0.00 H new ATOM 974 N GLY A 68 48.391 108.143 87.591 1.00 22.62 N ATOM 975 CA GLY A 68 47.311 107.611 86.699 1.00 22.36 C ATOM 976 C GLY A 68 47.429 108.179 85.279 1.00 20.38 C ATOM 977 O GLY A 68 48.389 108.840 84.935 1.00 21.93 O ATOM 0 H GLY A 68 48.884 107.432 88.132 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.369 106.523 86.664 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.336 107.865 87.114 1.00 22.36 H new ATOM 981 N VAL A 69 46.435 107.934 84.468 1.00 17.51 N ATOM 982 CA VAL A 69 46.434 108.457 83.068 1.00 15.40 C ATOM 983 C VAL A 69 45.103 109.158 82.801 1.00 17.02 C ATOM 984 O VAL A 69 44.047 108.619 83.047 1.00 17.35 O ATOM 985 CB VAL A 69 46.610 107.243 82.142 1.00 12.26 C ATOM 986 CG1 VAL A 69 48.040 106.718 82.259 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.625 106.128 82.518 1.00 8.21 C ATOM 0 H VAL A 69 45.612 107.386 84.718 1.00 17.51 H new ATOM 0 HA VAL A 69 47.234 109.178 82.899 1.00 15.40 H new ATOM 0 HB VAL A 69 46.411 107.554 81.117 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.166 105.857 81.603 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.740 107.501 81.969 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.235 106.421 83.289 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.766 105.278 81.851 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.805 105.816 83.547 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.604 106.498 82.424 1.00 8.21 H new ATOM 997 N VAL A 70 45.173 110.378 82.325 1.00 17.68 N ATOM 998 CA VAL A 70 43.949 111.206 82.038 1.00 16.81 C ATOM 999 C VAL A 70 42.891 111.056 83.154 1.00 17.08 C ATOM 1000 O VAL A 70 41.700 111.113 82.917 1.00 16.77 O ATOM 1001 CB VAL A 70 43.417 110.772 80.656 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.543 110.844 79.619 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.866 109.346 80.711 1.00 20.55 C ATOM 0 H VAL A 70 46.052 110.851 82.116 1.00 17.68 H new ATOM 0 HA VAL A 70 44.196 112.267 82.018 1.00 16.81 H new ATOM 0 HB VAL A 70 42.611 111.448 80.371 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.161 110.536 78.645 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.915 111.867 79.556 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.355 110.180 79.917 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.496 109.061 79.726 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.658 108.661 81.014 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.050 109.299 81.432 1.00 20.55 H new ATOM 1013 N GLY A 71 43.345 110.910 84.377 1.00 17.30 N ATOM 1014 CA GLY A 71 42.414 110.806 85.545 1.00 16.44 C ATOM 1015 C GLY A 71 41.895 109.376 85.776 1.00 18.03 C ATOM 1016 O GLY A 71 40.899 109.197 86.453 1.00 18.29 O ATOM 0 H GLY A 71 44.335 110.858 84.618 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.927 111.150 86.443 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.566 111.473 85.387 1.00 16.44 H new ATOM 1020 N GLU A 72 42.541 108.360 85.246 1.00 0.00 N ATOM 1021 CA GLU A 72 42.028 106.968 85.490 1.00 0.00 C ATOM 1022 C GLU A 72 43.153 105.925 85.552 1.00 0.00 C ATOM 1023 O GLU A 72 44.185 106.051 84.923 1.00 0.00 O ATOM 1024 CB GLU A 72 41.072 106.662 84.335 1.00 0.00 C ATOM 1025 CG GLU A 72 41.812 106.760 83.005 1.00 0.00 C ATOM 1026 CD GLU A 72 40.939 106.173 81.894 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.938 104.963 81.747 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.288 106.945 81.210 1.00 0.00 O ATOM 0 H GLU A 72 43.380 108.429 84.670 1.00 0.00 H new ATOM 0 HA GLU A 72 41.532 106.917 86.459 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.652 105.663 84.454 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.237 107.362 84.348 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.050 107.801 82.784 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.758 106.222 83.062 1.00 0.00 H new ATOM 1035 N GLN A 73 42.921 104.882 86.308 1.00 13.09 N ATOM 1036 CA GLN A 73 43.910 103.771 86.452 1.00 15.45 C ATOM 1037 C GLN A 73 43.290 102.493 85.857 1.00 15.30 C ATOM 1038 O GLN A 73 42.874 101.611 86.582 1.00 16.40 O ATOM 1039 CB GLN A 73 44.098 103.618 87.963 1.00 18.12 C ATOM 1040 CG GLN A 73 44.872 104.820 88.506 1.00 18.21 C ATOM 1041 CD GLN A 73 44.827 104.808 90.036 1.00 16.98 C ATOM 1042 OE1 GLN A 73 44.950 103.768 90.651 1.00 18.14 O ATOM 1043 NE2 GLN A 73 44.655 105.930 90.680 1.00 14.04 N ATOM 0 H GLN A 73 42.064 104.751 86.846 1.00 13.09 H new ATOM 0 HA GLN A 73 44.856 103.958 85.945 1.00 15.45 H new ATOM 0 HB2 GLN A 73 43.128 103.544 88.455 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.637 102.696 88.181 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.906 104.786 88.162 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.440 105.746 88.126 1.00 18.21 H new ATOM 0 HE21 GLN A 73 44.552 106.804 90.164 1.00 14.04 H new ATOM 0 HE22 GLN A 73 44.624 105.933 91.700 1.00 14.04 H new ATOM 1052 N PRO A 74 43.214 102.459 84.544 1.00 15.25 N ATOM 1053 CA PRO A 74 42.584 101.276 83.881 1.00 16.63 C ATOM 1054 C PRO A 74 43.243 99.954 84.294 1.00 17.41 C ATOM 1055 O PRO A 74 44.447 99.857 84.437 1.00 17.61 O ATOM 1056 CB PRO A 74 42.795 101.530 82.392 1.00 16.18 C ATOM 1057 CG PRO A 74 43.986 102.421 82.320 1.00 16.38 C ATOM 1058 CD PRO A 74 43.963 103.267 83.562 1.00 13.89 C ATOM 0 HA PRO A 74 41.535 101.174 84.160 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.966 100.598 81.853 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.921 102.002 81.944 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.905 101.837 82.266 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.951 103.044 81.426 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.972 103.484 83.913 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.475 104.225 83.381 1.00 13.89 H new ATOM 1066 N TRP A 75 42.442 98.932 84.464 1.00 0.00 N ATOM 1067 CA TRP A 75 42.975 97.590 84.842 1.00 0.00 C ATOM 1068 C TRP A 75 42.995 96.701 83.596 1.00 0.00 C ATOM 1069 O TRP A 75 42.136 95.859 83.408 1.00 0.00 O ATOM 1070 CB TRP A 75 41.986 97.048 85.876 1.00 0.00 C ATOM 1071 CG TRP A 75 42.655 96.009 86.717 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.567 96.261 87.683 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.477 94.562 86.690 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.964 95.062 88.249 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.320 93.986 87.670 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.676 93.703 85.917 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.366 92.608 87.877 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.721 92.314 86.123 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.564 91.768 87.100 1.00 0.00 C ATOM 0 H TRP A 75 41.429 98.973 84.355 1.00 0.00 H new ATOM 0 HA TRP A 75 43.988 97.627 85.242 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.622 97.860 86.505 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.118 96.620 85.374 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.927 97.239 87.967 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.648 94.983 89.001 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.023 94.113 85.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.017 92.193 88.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.102 91.663 85.524 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.594 90.699 87.252 1.00 0.00 H new ATOM 1090 N LEU A 76 43.956 96.905 82.733 1.00 18.07 N ATOM 1091 CA LEU A 76 44.024 96.100 81.474 1.00 17.96 C ATOM 1092 C LEU A 76 44.179 94.607 81.763 1.00 19.47 C ATOM 1093 O LEU A 76 45.168 94.167 82.317 1.00 20.57 O ATOM 1094 CB LEU A 76 45.252 96.622 80.723 1.00 16.79 C ATOM 1095 CG LEU A 76 44.825 97.690 79.713 1.00 17.27 C ATOM 1096 CD1 LEU A 76 46.066 98.261 79.027 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.910 97.064 78.657 1.00 15.14 C ATOM 0 H LEU A 76 44.699 97.595 82.845 1.00 18.07 H new ATOM 0 HA LEU A 76 43.106 96.205 80.896 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.970 97.041 81.428 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.752 95.801 80.209 1.00 16.79 H new ATOM 0 HG LEU A 76 44.290 98.485 80.232 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.766 99.022 78.307 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.722 98.707 79.774 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.596 97.461 78.510 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.608 97.827 77.939 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.445 96.269 78.138 1.00 15.14 H new ATOM 0 HD23 LEU A 76 43.025 96.650 79.141 1.00 15.14 H new ATOM 1109 N ARG A 77 43.212 93.826 81.356 1.00 0.00 N ATOM 1110 CA ARG A 77 43.289 92.351 81.560 1.00 0.00 C ATOM 1111 C ARG A 77 44.008 91.726 80.359 1.00 0.00 C ATOM 1112 O ARG A 77 44.071 92.332 79.307 1.00 0.00 O ATOM 1113 CB ARG A 77 41.836 91.880 81.628 1.00 0.00 C ATOM 1114 CG ARG A 77 41.322 92.009 83.063 1.00 0.00 C ATOM 1115 CD ARG A 77 39.809 91.788 83.086 1.00 0.00 C ATOM 1116 NE ARG A 77 39.623 90.348 82.751 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.484 89.931 82.272 1.00 0.00 C ATOM 1118 NH1 ARG A 77 38.116 90.278 81.069 1.00 0.00 N ATOM 1119 NH2 ARG A 77 37.712 89.167 82.995 1.00 0.00 N ATOM 0 H ARG A 77 42.366 94.151 80.887 1.00 0.00 H new ATOM 0 HA ARG A 77 43.836 92.070 82.460 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.218 92.475 80.955 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.763 90.844 81.296 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.816 91.279 83.704 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.562 92.996 83.459 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.391 92.022 84.065 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.306 92.429 82.363 1.00 0.00 H new ATOM 0 HE ARG A 77 40.387 89.688 82.896 1.00 0.00 H new ATOM 0 HH11 ARG A 77 38.719 90.875 80.504 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.225 89.952 80.694 1.00 0.00 H new ATOM 0 HH21 ARG A 77 37.999 88.896 83.935 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.821 88.841 82.620 1.00 0.00 H new ATOM 1133 N PRO A 78 44.537 90.536 80.545 1.00 23.86 N ATOM 1134 CA PRO A 78 45.254 89.891 79.402 1.00 24.22 C ATOM 1135 C PRO A 78 44.358 89.822 78.153 1.00 24.36 C ATOM 1136 O PRO A 78 43.234 89.362 78.204 1.00 22.27 O ATOM 1137 CB PRO A 78 45.596 88.495 79.911 1.00 25.39 C ATOM 1138 CG PRO A 78 44.588 88.221 80.973 1.00 27.04 C ATOM 1139 CD PRO A 78 44.248 89.547 81.600 1.00 25.13 C ATOM 0 HA PRO A 78 46.139 90.450 79.099 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.539 87.757 79.111 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.610 88.456 80.308 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.699 87.753 80.551 1.00 27.04 H new ATOM 0 HG3 PRO A 78 44.988 87.532 81.717 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.202 89.586 81.905 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.848 89.730 82.492 1.00 25.13 H new ATOM 1147 N GLY A 79 44.871 90.270 77.035 1.00 24.74 N ATOM 1148 CA GLY A 79 44.082 90.232 75.767 1.00 23.79 C ATOM 1149 C GLY A 79 43.268 91.525 75.585 1.00 23.44 C ATOM 1150 O GLY A 79 42.848 91.839 74.487 1.00 22.44 O ATOM 0 H GLY A 79 45.808 90.663 76.946 1.00 24.74 H new ATOM 0 HA2 GLY A 79 44.755 90.099 74.920 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.410 89.374 75.778 1.00 23.79 H new ATOM 1154 N GLU A 80 43.046 92.278 76.637 1.00 23.31 N ATOM 1155 CA GLU A 80 42.262 93.549 76.500 1.00 21.90 C ATOM 1156 C GLU A 80 43.189 94.713 76.141 1.00 20.95 C ATOM 1157 O GLU A 80 44.398 94.607 76.233 1.00 19.52 O ATOM 1158 CB GLU A 80 41.613 93.781 77.864 1.00 23.06 C ATOM 1159 CG GLU A 80 40.392 92.871 78.011 1.00 23.88 C ATOM 1160 CD GLU A 80 39.596 93.270 79.257 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.617 94.441 79.604 1.00 25.91 O ATOM 1162 OE2 GLU A 80 38.974 92.398 79.841 1.00 29.38 O ATOM 0 H GLU A 80 43.372 92.069 77.581 1.00 23.31 H new ATOM 0 HA GLU A 80 41.517 93.481 75.707 1.00 21.90 H new ATOM 0 HB2 GLU A 80 42.330 93.576 78.659 1.00 23.06 H new ATOM 0 HB3 GLU A 80 41.316 94.825 77.964 1.00 23.06 H new ATOM 0 HG2 GLU A 80 39.761 92.947 77.125 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.709 91.831 78.088 1.00 23.88 H new ATOM 1169 N ALA A 81 42.625 95.821 75.727 1.00 0.00 N ATOM 1170 CA ALA A 81 43.463 96.998 75.352 1.00 0.00 C ATOM 1171 C ALA A 81 42.760 98.303 75.747 1.00 0.00 C ATOM 1172 O ALA A 81 41.550 98.412 75.690 1.00 0.00 O ATOM 1173 CB ALA A 81 43.618 96.909 73.834 1.00 0.00 C ATOM 0 H ALA A 81 41.619 95.960 75.633 1.00 0.00 H new ATOM 0 HA ALA A 81 44.427 96.994 75.861 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.224 97.743 73.481 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.105 95.970 73.572 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.635 96.951 73.365 1.00 0.00 H new ATOM 1179 N PHE A 82 43.522 99.297 76.129 1.00 18.56 N ATOM 1180 CA PHE A 82 42.927 100.612 76.511 1.00 17.00 C ATOM 1181 C PHE A 82 43.375 101.676 75.502 1.00 16.61 C ATOM 1182 O PHE A 82 44.507 101.667 75.054 1.00 15.77 O ATOM 1183 CB PHE A 82 43.486 100.910 77.909 1.00 13.41 C ATOM 1184 CG PHE A 82 42.994 102.259 78.380 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.665 102.416 78.793 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.866 103.354 78.399 1.00 12.24 C ATOM 1187 CE1 PHE A 82 41.210 103.668 79.226 1.00 10.01 C ATOM 1188 CE2 PHE A 82 43.411 104.604 78.831 1.00 8.77 C ATOM 1189 CZ PHE A 82 42.083 104.762 79.244 1.00 9.06 C ATOM 0 H PHE A 82 44.539 99.252 76.193 1.00 18.56 H new ATOM 0 HA PHE A 82 41.837 100.604 76.514 1.00 17.00 H new ATOM 0 HB2 PHE A 82 43.174 100.134 78.608 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.576 100.898 77.885 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.991 101.572 78.778 1.00 10.24 H new ATOM 0 HD2 PHE A 82 44.891 103.233 78.080 1.00 12.24 H new ATOM 0 HE1 PHE A 82 40.186 103.789 79.546 1.00 10.01 H new ATOM 0 HE2 PHE A 82 44.085 105.448 78.846 1.00 8.77 H new ATOM 0 HZ PHE A 82 41.732 105.728 79.576 1.00 9.06 H new ATOM 1199 N HIS A 83 42.506 102.584 75.136 1.00 0.00 N ATOM 1200 CA HIS A 83 42.899 103.637 74.148 1.00 0.00 C ATOM 1201 C HIS A 83 42.162 104.952 74.421 1.00 0.00 C ATOM 1202 O HIS A 83 40.988 104.962 74.739 1.00 0.00 O ATOM 1203 CB HIS A 83 42.504 103.068 72.777 1.00 0.00 C ATOM 1204 CG HIS A 83 41.026 102.776 72.741 1.00 0.00 C ATOM 1205 ND1 HIS A 83 40.083 103.762 72.497 1.00 0.00 N ATOM 1206 CD2 HIS A 83 40.315 101.614 72.917 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.869 103.182 72.532 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.955 101.872 72.784 1.00 0.00 N ATOM 0 H HIS A 83 41.546 102.643 75.476 1.00 0.00 H new ATOM 0 HA HIS A 83 43.963 103.866 74.206 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.761 103.779 71.992 1.00 0.00 H new ATOM 0 HB3 HIS A 83 43.067 102.156 72.577 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.747 100.647 73.127 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.940 103.710 72.376 1.00 0.00 H new ATOM 0 HE2 HIS A 83 38.188 101.205 72.862 1.00 0.00 H new ATOM 1216 N TYR A 84 42.842 106.062 74.268 1.00 21.96 N ATOM 1217 CA TYR A 84 42.186 107.388 74.484 1.00 22.81 C ATOM 1218 C TYR A 84 42.898 108.462 73.649 1.00 25.11 C ATOM 1219 O TYR A 84 44.007 108.263 73.188 1.00 26.65 O ATOM 1220 CB TYR A 84 42.262 107.668 75.995 1.00 19.35 C ATOM 1221 CG TYR A 84 43.684 107.929 76.446 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.503 106.863 76.833 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.168 109.241 76.503 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.810 107.109 77.272 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.472 109.487 76.947 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.294 108.421 77.331 1.00 12.19 C ATOM 1227 OH TYR A 84 47.577 108.664 77.774 1.00 13.46 O ATOM 0 H TYR A 84 43.826 106.106 74.002 1.00 21.96 H new ATOM 0 HA TYR A 84 41.144 107.394 74.163 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.640 108.529 76.237 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.857 106.818 76.543 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.128 105.851 76.793 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.535 110.064 76.204 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.445 106.286 77.565 1.00 9.20 H new ATOM 0 HE2 TYR A 84 45.844 110.500 76.993 1.00 14.00 H new ATOM 0 HH TYR A 84 47.754 109.628 77.751 1.00 13.46 H new ATOM 1237 N THR A 85 42.262 109.588 73.439 1.00 26.58 N ATOM 1238 CA THR A 85 42.893 110.665 72.615 1.00 26.99 C ATOM 1239 C THR A 85 43.531 111.740 73.502 1.00 28.14 C ATOM 1240 O THR A 85 42.951 112.185 74.475 1.00 27.02 O ATOM 1241 CB THR A 85 41.746 111.259 71.798 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.104 110.225 71.064 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.294 112.309 70.830 1.00 21.76 C ATOM 0 H THR A 85 41.334 109.808 73.802 1.00 26.58 H new ATOM 0 HA THR A 85 43.693 110.274 71.986 1.00 26.99 H new ATOM 0 HB THR A 85 41.028 111.729 72.470 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.367 110.604 70.541 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.474 112.731 70.249 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.785 113.102 71.394 1.00 21.76 H new ATOM 0 HG23 THR A 85 43.014 111.843 70.157 1.00 21.76 H new ATOM 1251 N SER A 86 44.724 112.162 73.160 1.00 29.06 N ATOM 1252 CA SER A 86 45.418 113.214 73.962 1.00 29.05 C ATOM 1253 C SER A 86 45.820 114.380 73.048 1.00 29.43 C ATOM 1254 O SER A 86 45.800 114.251 71.833 1.00 29.12 O ATOM 1255 CB SER A 86 46.657 112.520 74.515 1.00 29.12 C ATOM 1256 OG SER A 86 47.520 113.495 75.084 1.00 33.88 O ATOM 0 H SER A 86 45.249 111.820 72.355 1.00 29.06 H new ATOM 0 HA SER A 86 44.791 113.625 74.753 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.372 111.785 75.268 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.172 111.980 73.720 1.00 29.12 H new ATOM 0 HG SER A 86 48.379 113.487 74.612 1.00 33.88 H new ATOM 1262 N GLY A 87 46.199 115.509 73.604 1.00 29.08 N ATOM 1263 CA GLY A 87 46.602 116.663 72.742 1.00 29.89 C ATOM 1264 C GLY A 87 47.912 117.280 73.247 1.00 31.80 C ATOM 1265 O GLY A 87 48.058 117.588 74.415 1.00 31.40 O ATOM 0 H GLY A 87 46.246 115.678 74.609 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.724 116.329 71.712 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.815 117.417 72.742 1.00 29.89 H new ATOM 1269 N VAL A 88 48.856 117.475 72.361 1.00 0.00 N ATOM 1270 CA VAL A 88 50.165 118.088 72.752 1.00 0.00 C ATOM 1271 C VAL A 88 50.524 119.192 71.746 1.00 0.00 C ATOM 1272 O VAL A 88 50.203 119.105 70.576 1.00 0.00 O ATOM 1273 CB VAL A 88 51.187 116.937 72.705 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.613 117.479 72.872 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.899 115.954 73.841 1.00 0.00 C ATOM 0 H VAL A 88 48.776 117.234 71.373 1.00 0.00 H new ATOM 0 HA VAL A 88 50.141 118.546 73.741 1.00 0.00 H new ATOM 0 HB VAL A 88 51.103 116.436 71.741 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.323 116.653 72.836 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.832 118.181 72.067 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.698 117.989 73.831 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.622 115.139 73.809 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.977 116.471 74.798 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.893 115.551 73.727 1.00 0.00 H new ATOM 1285 N LEU A 89 51.183 120.229 72.201 1.00 0.00 N ATOM 1286 CA LEU A 89 51.561 121.343 71.280 1.00 0.00 C ATOM 1287 C LEU A 89 53.077 121.359 71.058 1.00 0.00 C ATOM 1288 O LEU A 89 53.847 121.075 71.956 1.00 0.00 O ATOM 1289 CB LEU A 89 51.111 122.616 71.999 1.00 0.00 C ATOM 1290 CG LEU A 89 51.331 123.825 71.089 1.00 0.00 C ATOM 1291 CD1 LEU A 89 50.188 123.916 70.076 1.00 0.00 C ATOM 1292 CD2 LEU A 89 51.363 125.100 71.935 1.00 0.00 C ATOM 0 H LEU A 89 51.475 120.351 73.171 1.00 0.00 H new ATOM 0 HA LEU A 89 51.100 121.242 70.298 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.058 122.539 72.270 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.671 122.739 72.926 1.00 0.00 H new ATOM 0 HG LEU A 89 52.278 123.714 70.560 1.00 0.00 H new ATOM 0 HD11 LEU A 89 50.345 124.778 69.427 1.00 0.00 H new ATOM 0 HD12 LEU A 89 50.163 123.008 69.473 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.241 124.027 70.605 1.00 0.00 H new ATOM 0 HD21 LEU A 89 51.520 125.963 71.287 1.00 0.00 H new ATOM 0 HD22 LEU A 89 50.416 125.210 72.463 1.00 0.00 H new ATOM 0 HD23 LEU A 89 52.176 125.037 72.658 1.00 0.00 H new ATOM 1304 N LEU A 90 53.508 121.687 69.865 1.00 37.85 N ATOM 1305 CA LEU A 90 54.975 121.716 69.577 1.00 36.74 C ATOM 1306 C LEU A 90 55.384 123.110 69.086 1.00 35.30 C ATOM 1307 O LEU A 90 54.630 123.776 68.402 1.00 35.10 O ATOM 1308 CB LEU A 90 55.187 120.672 68.476 1.00 38.41 C ATOM 1309 CG LEU A 90 56.396 119.798 68.820 1.00 38.68 C ATOM 1310 CD1 LEU A 90 56.275 118.453 68.100 1.00 37.80 C ATOM 1311 CD2 LEU A 90 57.678 120.501 68.371 1.00 38.08 C ATOM 0 H LEU A 90 52.908 121.936 69.079 1.00 37.85 H new ATOM 0 HA LEU A 90 55.576 121.499 70.460 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.296 120.053 68.372 1.00 38.41 H new ATOM 0 HB3 LEU A 90 55.345 121.167 67.518 1.00 38.41 H new ATOM 0 HG LEU A 90 56.429 119.633 69.897 1.00 38.68 H new ATOM 0 HD11 LEU A 90 57.136 117.831 68.345 1.00 37.80 H new ATOM 0 HD12 LEU A 90 55.362 117.951 68.419 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.241 118.618 67.023 1.00 37.80 H new ATOM 0 HD21 LEU A 90 58.539 119.879 68.616 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.644 120.666 67.294 1.00 38.08 H new ATOM 0 HD23 LEU A 90 57.766 121.459 68.883 1.00 38.08 H new ATOM 1323 N GLU A 91 56.565 123.557 69.434 1.00 0.00 N ATOM 1324 CA GLU A 91 57.018 124.913 68.991 1.00 0.00 C ATOM 1325 C GLU A 91 57.483 124.877 67.532 1.00 0.00 C ATOM 1326 O GLU A 91 57.447 125.876 66.839 1.00 0.00 O ATOM 1327 CB GLU A 91 58.188 125.266 69.912 1.00 0.00 C ATOM 1328 CG GLU A 91 57.704 125.301 71.365 1.00 0.00 C ATOM 1329 CD GLU A 91 58.868 125.655 72.301 1.00 0.00 C ATOM 1330 OE1 GLU A 91 60.010 125.492 71.896 1.00 0.00 O ATOM 1331 OE2 GLU A 91 58.597 126.084 73.410 1.00 0.00 O ATOM 0 H GLU A 91 57.235 123.042 70.005 1.00 0.00 H new ATOM 0 HA GLU A 91 56.214 125.647 69.048 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.986 124.532 69.801 1.00 0.00 H new ATOM 0 HB3 GLU A 91 58.605 126.234 69.633 1.00 0.00 H new ATOM 0 HG2 GLU A 91 56.905 126.034 71.473 1.00 0.00 H new ATOM 0 HG3 GLU A 91 57.287 124.332 71.641 1.00 0.00 H new ATOM 1338 N THR A 92 57.924 123.736 67.063 1.00 31.63 N ATOM 1339 CA THR A 92 58.397 123.637 65.650 1.00 28.98 C ATOM 1340 C THR A 92 57.615 122.549 64.905 1.00 28.33 C ATOM 1341 O THR A 92 56.851 121.808 65.494 1.00 29.20 O ATOM 1342 CB THR A 92 59.880 123.274 65.755 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.518 124.165 66.659 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.539 123.385 64.379 1.00 25.50 C ATOM 0 H THR A 92 57.976 122.869 67.599 1.00 31.63 H new ATOM 0 HA THR A 92 58.248 124.563 65.094 1.00 28.98 H new ATOM 0 HB THR A 92 59.977 122.251 66.117 1.00 29.53 H new ATOM 0 HG1 THR A 92 61.468 123.934 66.730 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.595 123.126 64.459 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.049 122.702 63.685 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.443 124.407 64.011 1.00 25.50 H new ATOM 1352 N GLU A 93 57.790 122.460 63.609 1.00 0.00 N ATOM 1353 CA GLU A 93 57.049 121.435 62.813 1.00 0.00 C ATOM 1354 C GLU A 93 57.788 120.089 62.798 1.00 0.00 C ATOM 1355 O GLU A 93 57.452 119.208 62.028 1.00 0.00 O ATOM 1356 CB GLU A 93 56.984 122.015 61.398 1.00 0.00 C ATOM 1357 CG GLU A 93 55.896 121.293 60.596 1.00 0.00 C ATOM 1358 CD GLU A 93 55.822 121.867 59.175 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.280 122.981 58.973 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.300 121.180 58.311 1.00 0.00 O ATOM 0 H GLU A 93 58.416 123.056 63.067 1.00 0.00 H new ATOM 0 HA GLU A 93 56.064 121.237 63.236 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.770 123.083 61.441 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.949 121.903 60.904 1.00 0.00 H new ATOM 0 HG2 GLU A 93 56.111 120.225 60.555 1.00 0.00 H new ATOM 0 HG3 GLU A 93 54.932 121.405 61.093 1.00 0.00 H new ATOM 1367 N GLN A 94 58.780 119.911 63.639 1.00 0.00 N ATOM 1368 CA GLN A 94 59.517 118.611 63.661 1.00 0.00 C ATOM 1369 C GLN A 94 59.848 118.230 65.106 1.00 0.00 C ATOM 1370 O GLN A 94 60.123 119.095 65.918 1.00 0.00 O ATOM 1371 CB GLN A 94 60.799 118.872 62.868 1.00 0.00 C ATOM 1372 CG GLN A 94 60.456 119.051 61.388 1.00 0.00 C ATOM 1373 CD GLN A 94 61.739 119.313 60.595 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.611 120.028 61.047 1.00 0.00 O ATOM 1375 NE2 GLN A 94 61.890 118.761 59.423 1.00 0.00 N ATOM 0 H GLN A 94 59.108 120.608 64.308 1.00 0.00 H new ATOM 0 HA GLN A 94 58.937 117.792 63.236 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.298 119.764 63.247 1.00 0.00 H new ATOM 0 HB3 GLN A 94 61.493 118.041 62.994 1.00 0.00 H new ATOM 0 HG2 GLN A 94 59.957 118.159 61.009 1.00 0.00 H new ATOM 0 HG3 GLN A 94 59.762 119.882 61.262 1.00 0.00 H new ATOM 0 HE21 GLN A 94 61.158 118.161 59.044 1.00 0.00 H new ATOM 0 HE22 GLN A 94 62.740 118.930 58.886 1.00 0.00 H new ATOM 1384 N GLY A 95 59.832 116.959 65.445 1.00 27.89 N ATOM 1385 CA GLY A 95 60.161 116.586 66.856 1.00 28.05 C ATOM 1386 C GLY A 95 60.039 115.079 67.103 1.00 27.70 C ATOM 1387 O GLY A 95 59.363 114.361 66.393 1.00 25.89 O ATOM 0 H GLY A 95 59.611 116.183 64.821 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.176 116.909 67.087 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.495 117.118 67.535 1.00 28.05 H new ATOM 1391 N GLN A 96 60.698 114.616 68.136 1.00 0.00 N ATOM 1392 CA GLN A 96 60.656 113.165 68.500 1.00 0.00 C ATOM 1393 C GLN A 96 60.078 113.006 69.909 1.00 0.00 C ATOM 1394 O GLN A 96 60.508 113.671 70.835 1.00 0.00 O ATOM 1395 CB GLN A 96 62.120 112.702 68.494 1.00 0.00 C ATOM 1396 CG GLN A 96 62.773 113.018 67.146 1.00 0.00 C ATOM 1397 CD GLN A 96 64.010 112.138 66.959 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.759 111.917 67.891 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.259 111.623 65.786 1.00 0.00 N ATOM 0 H GLN A 96 61.272 115.191 68.752 1.00 0.00 H new ATOM 0 HA GLN A 96 60.038 112.588 67.812 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.668 113.197 69.296 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.170 111.630 68.688 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.064 112.844 66.337 1.00 0.00 H new ATOM 0 HG3 GLN A 96 63.053 114.071 67.103 1.00 0.00 H new ATOM 0 HE21 GLN A 96 63.631 111.808 65.004 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.082 111.035 65.651 1.00 0.00 H new ATOM 1408 N MET A 97 59.108 112.144 70.084 1.00 0.00 N ATOM 1409 CA MET A 97 58.506 111.963 71.441 1.00 0.00 C ATOM 1410 C MET A 97 58.548 110.492 71.871 1.00 0.00 C ATOM 1411 O MET A 97 57.934 109.640 71.256 1.00 0.00 O ATOM 1412 CB MET A 97 57.058 112.429 71.292 1.00 0.00 C ATOM 1413 CG MET A 97 57.024 113.946 71.099 1.00 0.00 C ATOM 1414 SD MET A 97 55.308 114.496 70.923 1.00 0.00 S ATOM 1415 CE MET A 97 54.722 113.945 72.544 1.00 0.00 C ATOM 0 H MET A 97 58.708 111.560 69.350 1.00 0.00 H new ATOM 0 HA MET A 97 59.049 112.523 72.202 1.00 0.00 H new ATOM 0 HB2 MET A 97 56.592 111.933 70.440 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.483 112.152 72.176 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.490 114.442 71.950 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.598 114.223 70.215 1.00 0.00 H new ATOM 0 HE1 MET A 97 53.754 113.456 72.434 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.438 113.242 72.970 1.00 0.00 H new ATOM 0 HE3 MET A 97 54.621 114.805 73.206 1.00 0.00 H new ATOM 1425 N GLN A 98 59.253 110.192 72.934 1.00 0.00 N ATOM 1426 CA GLN A 98 59.332 108.787 73.437 1.00 0.00 C ATOM 1427 C GLN A 98 59.004 108.791 74.931 1.00 0.00 C ATOM 1428 O GLN A 98 59.257 109.768 75.612 1.00 0.00 O ATOM 1429 CB GLN A 98 60.787 108.369 73.214 1.00 0.00 C ATOM 1430 CG GLN A 98 60.948 106.884 73.548 1.00 0.00 C ATOM 1431 CD GLN A 98 62.403 106.462 73.325 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.126 107.096 72.581 1.00 0.00 O ATOM 1433 NE2 GLN A 98 62.865 105.409 73.942 1.00 0.00 N ATOM 0 H GLN A 98 59.783 110.870 73.481 1.00 0.00 H new ATOM 0 HA GLN A 98 58.640 108.109 72.937 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.075 108.553 72.179 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.449 108.967 73.840 1.00 0.00 H new ATOM 0 HG2 GLN A 98 60.660 106.700 74.583 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.285 106.286 72.922 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.259 104.877 74.566 1.00 0.00 H new ATOM 0 HE22 GLN A 98 63.832 105.118 73.800 1.00 0.00 H new ATOM 1442 N GLY A 99 58.438 107.727 75.454 1.00 29.62 N ATOM 1443 CA GLY A 99 58.101 107.724 76.913 1.00 28.62 C ATOM 1444 C GLY A 99 57.798 106.306 77.389 1.00 28.62 C ATOM 1445 O GLY A 99 57.879 105.359 76.635 1.00 29.22 O ATOM 0 H GLY A 99 58.199 106.876 74.944 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.932 108.136 77.485 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.240 108.367 77.095 1.00 28.62 H new ATOM 1449 N HIS A 100 57.443 106.160 78.643 1.00 0.00 N ATOM 1450 CA HIS A 100 57.117 104.807 79.177 1.00 0.00 C ATOM 1451 C HIS A 100 55.913 104.875 80.128 1.00 0.00 C ATOM 1452 O HIS A 100 55.574 105.922 80.647 1.00 0.00 O ATOM 1453 CB HIS A 100 58.379 104.330 79.905 1.00 0.00 C ATOM 1454 CG HIS A 100 58.732 105.276 81.021 1.00 0.00 C ATOM 1455 ND1 HIS A 100 58.417 105.275 82.357 1.00 0.00 N flip ATOM 1456 CD2 HIS A 100 59.539 106.383 80.822 1.00 0.00 C flip ATOM 1457 CE1 HIS A 100 59.018 106.364 82.980 1.00 0.00 C flip ATOM 1458 NE2 HIS A 100 59.682 106.998 82.010 1.00 0.00 N flip ATOM 0 H HIS A 100 57.366 106.922 79.317 1.00 0.00 H new ATOM 0 HA HIS A 100 56.838 104.115 78.382 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.219 103.329 80.306 1.00 0.00 H new ATOM 0 HB3 HIS A 100 59.209 104.263 79.201 1.00 0.00 H new ATOM 0 HD2 HIS A 100 59.974 106.696 79.884 1.00 0.00 H new ATOM 0 HE1 HIS A 100 58.960 106.638 84.023 1.00 0.00 H new ATOM 0 HE2 HIS A 100 60.231 107.846 82.153 1.00 0.00 H new ATOM 1466 N TYR A 101 55.270 103.757 80.349 1.00 25.77 N ATOM 1467 CA TYR A 101 54.081 103.724 81.256 1.00 25.79 C ATOM 1468 C TYR A 101 54.384 102.862 82.482 1.00 26.52 C ATOM 1469 O TYR A 101 54.780 101.721 82.350 1.00 27.05 O ATOM 1470 CB TYR A 101 52.963 103.069 80.434 1.00 24.67 C ATOM 1471 CG TYR A 101 52.256 104.081 79.555 1.00 23.27 C ATOM 1472 CD1 TYR A 101 51.895 105.342 80.058 1.00 20.31 C ATOM 1473 CD2 TYR A 101 51.950 103.747 78.231 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.228 106.258 79.236 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.286 104.666 77.410 1.00 24.17 C ATOM 1476 CZ TYR A 101 50.925 105.920 77.912 1.00 23.58 C ATOM 1477 OH TYR A 101 50.265 106.820 77.104 1.00 25.91 O ATOM 0 H TYR A 101 55.519 102.858 79.937 1.00 25.77 H new ATOM 0 HA TYR A 101 53.809 104.720 81.606 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.382 102.276 79.814 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.242 102.602 81.105 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.132 105.605 81.078 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.227 102.778 77.842 1.00 23.52 H new ATOM 0 HE1 TYR A 101 50.947 107.226 79.624 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.052 104.406 76.388 1.00 24.17 H new ATOM 0 HH TYR A 101 50.083 107.640 77.609 1.00 25.91 H new ATOM 1487 N ASP A 102 54.163 103.367 83.672 1.00 0.00 N ATOM 1488 CA ASP A 102 54.402 102.532 84.886 1.00 0.00 C ATOM 1489 C ASP A 102 53.168 101.662 85.135 1.00 0.00 C ATOM 1490 O ASP A 102 52.063 102.148 85.277 1.00 0.00 O ATOM 1491 CB ASP A 102 54.635 103.515 86.035 1.00 0.00 C ATOM 1492 CG ASP A 102 55.072 102.750 87.287 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.632 101.625 87.457 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.841 103.304 88.055 1.00 0.00 O ATOM 0 H ASP A 102 53.830 104.314 83.852 1.00 0.00 H new ATOM 0 HA ASP A 102 55.258 101.866 84.780 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.398 104.241 85.756 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.722 104.074 86.239 1.00 0.00 H new ATOM 1499 N MET A 103 53.363 100.370 85.166 1.00 0.00 N ATOM 1500 CA MET A 103 52.225 99.428 85.381 1.00 0.00 C ATOM 1501 C MET A 103 52.492 98.533 86.591 1.00 0.00 C ATOM 1502 O MET A 103 53.617 98.394 87.036 1.00 0.00 O ATOM 1503 CB MET A 103 52.172 98.583 84.106 1.00 0.00 C ATOM 1504 CG MET A 103 51.934 99.489 82.895 1.00 0.00 C ATOM 1505 SD MET A 103 51.242 98.514 81.536 1.00 0.00 S ATOM 1506 CE MET A 103 49.574 98.334 82.214 1.00 0.00 C ATOM 0 H MET A 103 54.272 99.922 85.050 1.00 0.00 H new ATOM 0 HA MET A 103 51.289 99.953 85.573 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.105 98.034 83.983 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.375 97.844 84.181 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.252 100.297 83.161 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.871 99.952 82.584 1.00 0.00 H new ATOM 0 HE1 MET A 103 48.867 98.169 81.401 1.00 0.00 H new ATOM 0 HE2 MET A 103 49.548 97.484 82.895 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.301 99.240 82.754 1.00 0.00 H new ATOM 1516 N VAL A 104 51.463 97.923 87.120 1.00 21.01 N ATOM 1517 CA VAL A 104 51.645 97.026 88.303 1.00 21.69 C ATOM 1518 C VAL A 104 50.758 95.785 88.168 1.00 22.60 C ATOM 1519 O VAL A 104 49.570 95.885 87.925 1.00 22.32 O ATOM 1520 CB VAL A 104 51.222 97.850 89.534 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.301 98.885 89.849 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.883 98.562 89.284 1.00 23.28 C ATOM 0 H VAL A 104 50.503 98.007 86.784 1.00 21.01 H new ATOM 0 HA VAL A 104 52.676 96.683 88.388 1.00 21.69 H new ATOM 0 HB VAL A 104 51.099 97.173 90.379 1.00 22.67 H new ATOM 0 HG11 VAL A 104 52.002 99.468 90.720 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.242 98.377 90.058 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.429 99.549 88.994 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.606 99.137 90.168 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.981 99.233 88.431 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.110 97.822 89.076 1.00 23.28 H new ATOM 1532 N ALA A 105 51.325 94.620 88.335 1.00 0.00 N ATOM 1533 CA ALA A 105 50.517 93.366 88.232 1.00 0.00 C ATOM 1534 C ALA A 105 49.612 93.236 89.456 1.00 0.00 C ATOM 1535 O ALA A 105 49.780 93.938 90.436 1.00 0.00 O ATOM 1536 CB ALA A 105 51.541 92.230 88.200 1.00 0.00 C ATOM 0 H ALA A 105 52.315 94.481 88.539 1.00 0.00 H new ATOM 0 HA ALA A 105 49.876 93.355 87.350 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.022 91.274 88.125 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.197 92.355 87.338 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.135 92.250 89.114 1.00 0.00 H new ATOM 1542 N ASP A 106 48.650 92.349 89.405 1.00 0.00 N ATOM 1543 CA ASP A 106 47.726 92.184 90.570 1.00 0.00 C ATOM 1544 C ASP A 106 48.493 91.646 91.781 1.00 0.00 C ATOM 1545 O ASP A 106 48.135 91.905 92.915 1.00 0.00 O ATOM 1546 CB ASP A 106 46.673 91.173 90.109 1.00 0.00 C ATOM 1547 CG ASP A 106 45.529 91.120 91.126 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.795 91.313 92.301 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.406 90.886 90.710 1.00 0.00 O ATOM 0 H ASP A 106 48.465 91.735 88.612 1.00 0.00 H new ATOM 0 HA ASP A 106 47.275 93.129 90.873 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.288 91.455 89.129 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.124 90.186 90.003 1.00 0.00 H new ATOM 1554 N ASP A 107 49.538 90.889 91.551 1.00 0.00 N ATOM 1555 CA ASP A 107 50.322 90.322 92.693 1.00 0.00 C ATOM 1556 C ASP A 107 51.229 91.385 93.331 1.00 0.00 C ATOM 1557 O ASP A 107 51.871 91.128 94.333 1.00 0.00 O ATOM 1558 CB ASP A 107 51.166 89.203 92.079 1.00 0.00 C ATOM 1559 CG ASP A 107 50.259 88.038 91.675 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.269 87.818 92.354 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.572 87.384 90.694 1.00 0.00 O ATOM 0 H ASP A 107 49.882 90.639 90.624 1.00 0.00 H new ATOM 0 HA ASP A 107 49.667 89.962 93.486 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.705 89.576 91.208 1.00 0.00 H new ATOM 0 HB3 ASP A 107 51.914 88.863 92.795 1.00 0.00 H new ATOM 1566 N GLY A 108 51.289 92.572 92.773 1.00 30.43 N ATOM 1567 CA GLY A 108 52.155 93.635 93.367 1.00 29.11 C ATOM 1568 C GLY A 108 53.465 93.768 92.579 1.00 29.35 C ATOM 1569 O GLY A 108 54.228 94.691 92.801 1.00 30.17 O ATOM 0 H GLY A 108 50.777 92.848 91.935 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.625 94.587 93.364 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.373 93.395 94.408 1.00 29.11 H new ATOM 1573 N THR A 109 53.743 92.862 91.665 1.00 0.00 N ATOM 1574 CA THR A 109 55.018 92.957 90.877 1.00 0.00 C ATOM 1575 C THR A 109 55.089 94.305 90.150 1.00 0.00 C ATOM 1576 O THR A 109 54.121 94.742 89.556 1.00 0.00 O ATOM 1577 CB THR A 109 54.951 91.810 89.866 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.642 90.601 90.545 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.300 91.670 89.160 1.00 0.00 C ATOM 0 H THR A 109 53.147 92.068 91.433 1.00 0.00 H new ATOM 0 HA THR A 109 55.900 92.888 91.513 1.00 0.00 H new ATOM 0 HB THR A 109 54.178 92.021 89.127 1.00 0.00 H new ATOM 0 HG1 THR A 109 55.399 89.983 90.473 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.251 90.853 88.440 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.536 92.598 88.640 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.076 91.459 89.896 1.00 0.00 H new ATOM 1587 N GLU A 110 56.218 94.971 90.199 1.00 0.00 N ATOM 1588 CA GLU A 110 56.330 96.294 89.514 1.00 0.00 C ATOM 1589 C GLU A 110 57.076 96.154 88.183 1.00 0.00 C ATOM 1590 O GLU A 110 58.055 95.440 88.079 1.00 0.00 O ATOM 1591 CB GLU A 110 57.113 97.182 90.483 1.00 0.00 C ATOM 1592 CG GLU A 110 56.241 97.500 91.702 1.00 0.00 C ATOM 1593 CD GLU A 110 57.014 98.392 92.684 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.233 98.417 92.610 1.00 0.00 O ATOM 1595 OE2 GLU A 110 56.370 99.032 93.500 1.00 0.00 O ATOM 0 H GLU A 110 57.060 94.657 90.681 1.00 0.00 H new ATOM 0 HA GLU A 110 55.352 96.714 89.278 1.00 0.00 H new ATOM 0 HB2 GLU A 110 58.027 96.678 90.798 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.413 98.105 89.986 1.00 0.00 H new ATOM 0 HG2 GLU A 110 55.327 98.002 91.384 1.00 0.00 H new ATOM 0 HG3 GLU A 110 55.942 96.576 92.196 1.00 0.00 H new ATOM 1602 N PHE A 111 56.618 96.843 87.170 1.00 27.41 N ATOM 1603 CA PHE A 111 57.283 96.776 85.836 1.00 27.50 C ATOM 1604 C PHE A 111 56.813 97.945 84.960 1.00 28.03 C ATOM 1605 O PHE A 111 55.670 98.358 85.019 1.00 27.72 O ATOM 1606 CB PHE A 111 56.882 95.414 85.241 1.00 26.12 C ATOM 1607 CG PHE A 111 55.410 95.396 84.884 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.460 95.018 85.839 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.001 95.757 83.594 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.101 95.001 85.504 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.643 95.740 83.260 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.694 95.362 84.215 1.00 23.73 C ATOM 0 H PHE A 111 55.803 97.455 87.211 1.00 27.41 H new ATOM 0 HA PHE A 111 58.368 96.860 85.904 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.479 95.210 84.352 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.097 94.621 85.958 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.775 94.740 86.834 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.735 96.049 82.857 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.367 94.709 86.240 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.328 96.019 82.265 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.645 95.349 83.957 1.00 23.73 H new ATOM 1622 N ILE A 112 57.696 98.482 84.160 1.00 0.00 N ATOM 1623 CA ILE A 112 57.324 99.632 83.283 1.00 0.00 C ATOM 1624 C ILE A 112 57.013 99.149 81.864 1.00 0.00 C ATOM 1625 O ILE A 112 57.479 98.112 81.431 1.00 0.00 O ATOM 1626 CB ILE A 112 58.550 100.554 83.286 1.00 0.00 C ATOM 1627 CG1 ILE A 112 58.887 100.980 84.727 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.262 101.797 82.439 1.00 0.00 C ATOM 1629 CD1 ILE A 112 57.702 101.725 85.355 1.00 0.00 C ATOM 0 H ILE A 112 58.664 98.172 84.076 1.00 0.00 H new ATOM 0 HA ILE A 112 56.431 100.144 83.640 1.00 0.00 H new ATOM 0 HB ILE A 112 59.399 100.016 82.865 1.00 0.00 H new ATOM 0 HG12 ILE A 112 59.131 100.102 85.325 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.769 101.621 84.727 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.135 102.450 82.443 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.039 101.496 81.415 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.407 102.331 82.855 1.00 0.00 H new ATOM 0 HD11 ILE A 112 57.956 102.019 86.373 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.477 102.614 84.766 1.00 0.00 H new ATOM 0 HD13 ILE A 112 56.830 101.072 85.373 1.00 0.00 H new ATOM 1641 N ALA A 113 56.237 99.909 81.136 1.00 0.00 N ATOM 1642 CA ALA A 113 55.892 99.534 79.735 1.00 0.00 C ATOM 1643 C ALA A 113 56.370 100.646 78.790 1.00 0.00 C ATOM 1644 O ALA A 113 55.698 101.645 78.624 1.00 0.00 O ATOM 1645 CB ALA A 113 54.368 99.419 79.712 1.00 0.00 C ATOM 0 H ALA A 113 55.823 100.784 81.458 1.00 0.00 H new ATOM 0 HA ALA A 113 56.361 98.604 79.415 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.039 99.145 78.710 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.050 98.654 80.420 1.00 0.00 H new ATOM 0 HB3 ALA A 113 53.927 100.376 79.990 1.00 0.00 H new ATOM 1651 N PRO A 114 57.535 100.443 78.218 1.00 31.26 N ATOM 1652 CA PRO A 114 58.085 101.487 77.309 1.00 32.26 C ATOM 1653 C PRO A 114 57.156 101.770 76.121 1.00 31.77 C ATOM 1654 O PRO A 114 56.555 100.887 75.542 1.00 33.24 O ATOM 1655 CB PRO A 114 59.409 100.905 76.823 1.00 32.64 C ATOM 1656 CG PRO A 114 59.247 99.431 76.956 1.00 33.31 C ATOM 1657 CD PRO A 114 58.337 99.205 78.130 1.00 32.61 C ATOM 0 HA PRO A 114 58.199 102.442 77.822 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.611 101.189 75.790 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.244 101.267 77.422 1.00 32.64 H new ATOM 0 HG2 PRO A 114 58.821 99.004 76.048 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.211 98.948 77.114 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.703 98.331 77.979 1.00 32.61 H new ATOM 0 HD3 PRO A 114 58.904 99.033 79.045 1.00 32.61 H new ATOM 1665 N ILE A 115 57.073 103.024 75.761 1.00 30.59 N ATOM 1666 CA ILE A 115 56.230 103.452 74.607 1.00 30.04 C ATOM 1667 C ILE A 115 57.148 103.823 73.443 1.00 30.45 C ATOM 1668 O ILE A 115 58.027 104.661 73.575 1.00 30.15 O ATOM 1669 CB ILE A 115 55.452 104.685 75.086 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.658 104.342 76.351 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.483 105.128 73.989 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.091 105.625 76.960 1.00 28.50 C ATOM 0 H ILE A 115 57.565 103.785 76.229 1.00 30.59 H new ATOM 0 HA ILE A 115 55.550 102.668 74.273 1.00 30.04 H new ATOM 0 HB ILE A 115 56.154 105.488 75.308 1.00 29.44 H new ATOM 0 HG12 ILE A 115 53.849 103.653 76.110 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.302 103.838 77.072 1.00 29.23 H new ATOM 0 HG21 ILE A 115 53.928 106.004 74.325 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.043 105.377 73.088 1.00 25.80 H new ATOM 0 HG23 ILE A 115 53.786 104.319 73.771 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.526 105.382 77.860 1.00 28.50 H new ATOM 0 HD12 ILE A 115 54.909 106.299 77.216 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.433 106.110 76.239 1.00 28.50 H new ATOM 1684 N ALA A 116 56.951 103.197 72.307 1.00 30.78 N ATOM 1685 CA ALA A 116 57.811 103.480 71.111 1.00 29.78 C ATOM 1686 C ALA A 116 57.917 104.982 70.840 1.00 29.57 C ATOM 1687 O ALA A 116 56.993 105.735 71.088 1.00 28.51 O ATOM 1688 CB ALA A 116 57.108 102.784 69.944 1.00 27.76 C ATOM 0 H ALA A 116 56.226 102.496 72.155 1.00 30.78 H new ATOM 0 HA ALA A 116 58.830 103.123 71.262 1.00 29.78 H new ATOM 0 HB1 ALA A 116 57.677 102.944 69.028 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.039 101.715 70.146 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.106 103.196 69.825 1.00 27.76 H new ATOM 1694 N ALA A 117 59.039 105.419 70.331 1.00 0.00 N ATOM 1695 CA ALA A 117 59.222 106.867 70.037 1.00 0.00 C ATOM 1696 C ALA A 117 58.758 107.179 68.614 1.00 0.00 C ATOM 1697 O ALA A 117 59.254 106.621 67.653 1.00 0.00 O ATOM 1698 CB ALA A 117 60.726 107.108 70.170 1.00 0.00 C ATOM 0 H ALA A 117 59.840 104.829 70.106 1.00 0.00 H new ATOM 0 HA ALA A 117 58.643 107.501 70.708 1.00 0.00 H new ATOM 0 HB1 ALA A 117 60.946 108.156 69.968 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.046 106.859 71.182 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.260 106.481 69.455 1.00 0.00 H new ATOM 1704 N PHE A 118 57.823 108.080 68.474 1.00 29.64 N ATOM 1705 CA PHE A 118 57.332 108.456 67.116 1.00 29.08 C ATOM 1706 C PHE A 118 57.820 109.867 66.785 1.00 30.66 C ATOM 1707 O PHE A 118 58.256 110.594 67.660 1.00 30.55 O ATOM 1708 CB PHE A 118 55.799 108.395 67.187 1.00 25.73 C ATOM 1709 CG PHE A 118 55.282 109.308 68.276 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.067 110.665 68.009 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.009 108.795 69.549 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.581 111.508 69.016 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.523 109.637 70.556 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.309 110.994 70.289 1.00 21.66 C ATOM 0 H PHE A 118 57.376 108.574 69.246 1.00 29.64 H new ATOM 0 HA PHE A 118 57.701 107.790 66.336 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.373 108.687 66.227 1.00 25.73 H new ATOM 0 HB3 PHE A 118 55.479 107.371 67.380 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.276 111.062 67.027 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.174 107.748 69.755 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.416 112.555 68.810 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.313 109.240 71.538 1.00 21.66 H new ATOM 0 HZ PHE A 118 53.934 111.645 71.065 1.00 21.66 H new ATOM 1724 N VAL A 119 57.760 110.262 65.540 1.00 0.00 N ATOM 1725 CA VAL A 119 58.231 111.629 65.166 1.00 0.00 C ATOM 1726 C VAL A 119 57.057 112.478 64.672 1.00 0.00 C ATOM 1727 O VAL A 119 56.060 111.965 64.199 1.00 0.00 O ATOM 1728 CB VAL A 119 59.257 111.411 64.049 1.00 0.00 C ATOM 1729 CG1 VAL A 119 59.822 112.761 63.596 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.402 110.536 64.566 1.00 0.00 C ATOM 0 H VAL A 119 57.406 109.698 64.767 1.00 0.00 H new ATOM 0 HA VAL A 119 58.667 112.160 66.012 1.00 0.00 H new ATOM 0 HB VAL A 119 58.769 110.918 63.208 1.00 0.00 H new ATOM 0 HG11 VAL A 119 60.551 112.602 62.802 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.012 113.388 63.225 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.306 113.254 64.439 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.130 110.382 63.770 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.885 111.030 65.409 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.007 109.572 64.887 1.00 0.00 H new ATOM 1740 N LEU A 120 57.181 113.774 64.779 1.00 36.62 N ATOM 1741 CA LEU A 120 56.089 114.680 64.319 1.00 37.66 C ATOM 1742 C LEU A 120 56.583 115.501 63.128 1.00 38.64 C ATOM 1743 O LEU A 120 57.661 116.060 63.160 1.00 37.83 O ATOM 1744 CB LEU A 120 55.776 115.602 65.506 1.00 38.14 C ATOM 1745 CG LEU A 120 55.082 114.818 66.631 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.085 113.895 67.330 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.504 115.804 67.649 1.00 37.30 C ATOM 0 H LEU A 120 57.997 114.247 65.168 1.00 36.62 H new ATOM 0 HA LEU A 120 55.203 114.128 64.004 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.698 116.047 65.881 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.136 116.421 65.178 1.00 38.14 H new ATOM 0 HG LEU A 120 54.283 114.213 66.204 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.581 113.345 68.125 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.497 113.191 66.607 1.00 39.15 H new ATOM 0 HD13 LEU A 120 56.892 114.491 67.756 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.010 115.253 68.449 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.309 116.409 68.067 1.00 37.30 H new ATOM 0 HD23 LEU A 120 53.781 116.454 67.156 1.00 37.30 H new ATOM 1759 N SER A 121 55.804 115.569 62.078 1.00 0.00 N ATOM 1760 CA SER A 121 56.222 116.350 60.876 1.00 0.00 C ATOM 1761 C SER A 121 54.989 116.825 60.102 1.00 0.00 C ATOM 1762 O SER A 121 54.404 116.089 59.333 1.00 0.00 O ATOM 1763 CB SER A 121 57.039 115.372 60.032 1.00 0.00 C ATOM 1764 OG SER A 121 57.988 116.096 59.260 1.00 0.00 O ATOM 0 H SER A 121 54.894 115.115 62.002 1.00 0.00 H new ATOM 0 HA SER A 121 56.796 117.239 61.139 1.00 0.00 H new ATOM 0 HB2 SER A 121 57.548 114.655 60.676 1.00 0.00 H new ATOM 0 HB3 SER A 121 56.381 114.801 59.378 1.00 0.00 H new ATOM 0 HG SER A 121 58.515 115.471 58.719 1.00 0.00 H new