USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 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 33 TYR OH : rot 82:sc= 0.877 USER MOD Set 1.2: A 86 SER OG : rot -117:sc= 1.49 USER MOD Set 2.1: A 84 TYR OH : rot 180:sc= -0.404 USER MOD Set 2.2: A 101 TYR OH : rot -73:sc= 0.729 USER MOD Set 3.1: A 55 THR OG1 : rot -34:sc= 0.357 USER MOD Set 3.2: A 61 THR OG1 : rot 20:sc= 1.5 USER MOD Set 4.1: A 51 HIS : no HE2:sc= -3.63! C(o=-4.2!,f=-11!) USER MOD Set 4.2: A 63 GLN : amide:sc= -0.61 K(o=-4.2,f=-3.4) USER MOD Set 5.1: A 7 TYR OH : rot 165:sc= 0.906 USER MOD Set 5.2: A 109 THR OG1 : rot 167:sc= 1.06 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=-0.088) USER MOD Single : A 21 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 22 SER OG : rot 9:sc= -1.13 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -93:sc= 0.365 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0056 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 39 ASN : amide:sc= -1.95 K(o=-1.9,f=-4.7!) USER MOD Single : A 53 GLN : amide:sc= -0.022 K(o=-0.022,f=-1.7!) USER MOD Single : A 58 ASN : amide:sc= -3.19 K(o=-3.2,f=-5.3!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.65 K(o=-0.65,f=-2) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -89:sc= 0.0999 USER MOD Single : A 94 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.3) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 97 MET CE :methyl -112:sc= -0.0194 (180deg=-1.87) USER MOD Single : A 98 GLN : amide:sc= -4.26! C(o=-4.3!,f=-5.5!) USER MOD Single : A 100 HIS : no HD1:sc= -5.33 X(o=-5.3,f=-5.8!) USER MOD Single : A 103 MET CE :methyl -132:sc= -0.269 (180deg=-1.29!) USER MOD Single : A 121 SER OG : rot 12:sc= 0.481 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.817 86.684 82.892 1.00 0.00 N ATOM 2 CA ARG A 6 54.335 86.864 82.843 1.00 0.00 C ATOM 3 C ARG A 6 53.969 88.356 82.803 1.00 0.00 C ATOM 4 O ARG A 6 52.829 88.724 83.038 1.00 0.00 O ATOM 5 CB ARG A 6 53.817 86.225 84.134 1.00 0.00 C ATOM 6 CG ARG A 6 54.194 84.741 84.165 1.00 0.00 C ATOM 7 CD ARG A 6 53.273 83.958 83.226 1.00 0.00 C ATOM 8 NE ARG A 6 53.798 82.564 83.251 1.00 0.00 N ATOM 9 CZ ARG A 6 53.484 81.766 84.234 1.00 0.00 C ATOM 10 NH1 ARG A 6 52.269 81.300 84.334 1.00 0.00 N ATOM 11 NH2 ARG A 6 54.384 81.436 85.119 1.00 0.00 N ATOM 0 HA ARG A 6 53.900 86.411 81.953 1.00 0.00 H new ATOM 0 HB2 ARG A 6 54.241 86.736 84.999 1.00 0.00 H new ATOM 0 HB3 ARG A 6 52.735 86.336 84.197 1.00 0.00 H new ATOM 0 HG2 ARG A 6 55.233 84.613 83.862 1.00 0.00 H new ATOM 0 HG3 ARG A 6 54.108 84.355 85.181 1.00 0.00 H new ATOM 0 HD2 ARG A 6 52.238 83.997 83.565 1.00 0.00 H new ATOM 0 HD3 ARG A 6 53.294 84.370 82.217 1.00 0.00 H new ATOM 0 HE ARG A 6 54.403 82.233 82.499 1.00 0.00 H new ATOM 0 HH11 ARG A 6 51.565 81.560 83.643 1.00 0.00 H new ATOM 0 HH12 ARG A 6 52.024 80.676 85.103 1.00 0.00 H new ATOM 0 HH21 ARG A 6 55.333 81.802 85.042 1.00 0.00 H new ATOM 0 HH22 ARG A 6 54.139 80.812 85.888 1.00 0.00 H new ATOM 25 N TYR A 7 54.921 89.216 82.514 1.00 31.93 N ATOM 26 CA TYR A 7 54.624 90.682 82.466 1.00 29.59 C ATOM 27 C TYR A 7 54.952 91.248 81.080 1.00 29.68 C ATOM 28 O TYR A 7 56.096 91.300 80.672 1.00 30.50 O ATOM 29 CB TYR A 7 55.530 91.309 83.530 1.00 27.35 C ATOM 30 CG TYR A 7 55.201 90.729 84.886 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.896 90.814 85.387 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.202 90.104 85.640 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.592 90.275 86.642 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.896 89.565 86.895 1.00 22.47 C ATOM 35 CZ TYR A 7 54.592 89.651 87.397 1.00 22.87 C ATOM 36 OH TYR A 7 54.292 89.117 88.634 1.00 25.71 O ATOM 0 H TYR A 7 55.888 88.964 82.310 1.00 31.93 H new ATOM 0 HA TYR A 7 53.571 90.893 82.652 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.576 91.121 83.287 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.396 92.391 83.544 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.124 91.296 84.805 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.208 90.038 85.254 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.586 90.340 87.028 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.667 89.082 87.477 1.00 22.47 H new ATOM 0 HH TYR A 7 55.016 88.521 88.917 1.00 25.71 H new ATOM 46 N ARG A 8 53.947 91.673 80.361 1.00 0.00 N ATOM 47 CA ARG A 8 54.168 92.243 78.996 1.00 0.00 C ATOM 48 C ARG A 8 53.064 93.248 78.661 1.00 0.00 C ATOM 49 O ARG A 8 51.896 93.014 78.901 1.00 0.00 O ATOM 50 CB ARG A 8 54.117 91.050 78.039 1.00 0.00 C ATOM 51 CG ARG A 8 55.355 90.174 78.237 1.00 0.00 C ATOM 52 CD ARG A 8 55.427 89.130 77.120 1.00 0.00 C ATOM 53 NE ARG A 8 55.725 89.909 75.885 1.00 0.00 N ATOM 54 CZ ARG A 8 56.882 89.779 75.295 1.00 0.00 C ATOM 55 NH1 ARG A 8 57.960 90.244 75.863 1.00 0.00 N ATOM 56 NH2 ARG A 8 56.960 89.182 74.137 1.00 0.00 N ATOM 0 H ARG A 8 52.973 91.650 80.662 1.00 0.00 H new ATOM 0 HA ARG A 8 55.118 92.773 78.924 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.214 90.466 78.219 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.069 91.401 77.008 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.254 90.790 78.231 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.313 89.681 79.208 1.00 0.00 H new ATOM 0 HD2 ARG A 8 56.204 88.392 77.319 1.00 0.00 H new ATOM 0 HD3 ARG A 8 54.487 88.586 77.027 1.00 0.00 H new ATOM 0 HE ARG A 8 55.025 90.544 75.501 1.00 0.00 H new ATOM 0 HH11 ARG A 8 57.899 90.709 76.769 1.00 0.00 H new ATOM 0 HH12 ARG A 8 58.864 90.142 75.402 1.00 0.00 H new ATOM 0 HH21 ARG A 8 56.117 88.817 73.693 1.00 0.00 H new ATOM 0 HH22 ARG A 8 57.864 89.080 73.676 1.00 0.00 H new ATOM 70 N VAL A 9 53.441 94.370 78.106 1.00 0.00 N ATOM 71 CA VAL A 9 52.450 95.425 77.738 1.00 0.00 C ATOM 72 C VAL A 9 52.979 96.227 76.544 1.00 0.00 C ATOM 73 O VAL A 9 53.963 96.934 76.641 1.00 0.00 O ATOM 74 CB VAL A 9 52.325 96.320 78.978 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.342 97.460 78.698 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.810 95.494 80.161 1.00 0.00 C ATOM 0 H VAL A 9 54.410 94.604 77.889 1.00 0.00 H new ATOM 0 HA VAL A 9 51.485 95.008 77.451 1.00 0.00 H new ATOM 0 HB VAL A 9 53.305 96.733 79.217 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.257 98.092 79.582 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.704 98.055 77.860 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.364 97.045 78.453 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.722 96.133 81.040 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.833 95.078 79.916 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.508 94.683 80.370 1.00 0.00 H new ATOM 86 N GLU A 10 52.312 96.131 75.425 1.00 0.00 N ATOM 87 CA GLU A 10 52.724 96.886 74.205 1.00 0.00 C ATOM 88 C GLU A 10 51.752 98.041 73.954 1.00 0.00 C ATOM 89 O GLU A 10 50.549 97.865 73.927 1.00 0.00 O ATOM 90 CB GLU A 10 52.643 95.865 73.069 1.00 0.00 C ATOM 91 CG GLU A 10 53.099 96.515 71.759 1.00 0.00 C ATOM 92 CD GLU A 10 53.022 95.499 70.611 1.00 0.00 C ATOM 93 OE1 GLU A 10 53.000 94.309 70.888 1.00 0.00 O ATOM 94 OE2 GLU A 10 52.985 95.931 69.470 1.00 0.00 O ATOM 0 H GLU A 10 51.483 95.550 75.303 1.00 0.00 H new ATOM 0 HA GLU A 10 53.720 97.318 74.297 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.270 95.003 73.296 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.621 95.498 72.968 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.472 97.377 71.534 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.120 96.882 71.862 1.00 0.00 H new ATOM 101 N VAL A 11 52.282 99.222 73.774 1.00 26.88 N ATOM 102 CA VAL A 11 51.419 100.416 73.523 1.00 26.83 C ATOM 103 C VAL A 11 51.738 101.003 72.144 1.00 27.58 C ATOM 104 O VAL A 11 52.887 101.097 71.755 1.00 28.21 O ATOM 105 CB VAL A 11 51.775 101.411 74.633 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.926 102.677 74.486 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.501 100.776 76.000 1.00 25.75 C ATOM 0 H VAL A 11 53.284 99.413 73.790 1.00 26.88 H new ATOM 0 HA VAL A 11 50.357 100.172 73.531 1.00 26.83 H new ATOM 0 HB VAL A 11 52.831 101.670 74.554 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.183 103.381 75.277 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.120 103.135 73.516 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.870 102.417 74.560 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.755 101.485 76.788 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.446 100.513 76.074 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.107 99.877 76.112 1.00 25.75 H new ATOM 117 N GLU A 12 50.733 101.399 71.405 1.00 0.00 N ATOM 118 CA GLU A 12 50.970 101.983 70.050 1.00 0.00 C ATOM 119 C GLU A 12 50.382 103.394 69.980 1.00 0.00 C ATOM 120 O GLU A 12 49.288 103.647 70.449 1.00 0.00 O ATOM 121 CB GLU A 12 50.237 101.050 69.085 1.00 0.00 C ATOM 122 CG GLU A 12 50.970 99.708 69.016 1.00 0.00 C ATOM 123 CD GLU A 12 52.341 99.908 68.370 1.00 0.00 C ATOM 124 OE1 GLU A 12 52.380 100.349 67.233 1.00 0.00 O ATOM 125 OE2 GLU A 12 53.331 99.617 69.023 1.00 0.00 O ATOM 0 H GLU A 12 49.753 101.343 71.684 1.00 0.00 H new ATOM 0 HA GLU A 12 52.030 102.065 69.811 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.210 100.899 69.418 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.187 101.501 68.094 1.00 0.00 H new ATOM 0 HG2 GLU A 12 51.085 99.293 70.017 1.00 0.00 H new ATOM 0 HG3 GLU A 12 50.385 98.992 68.439 1.00 0.00 H new ATOM 132 N VAL A 13 51.108 104.317 69.402 1.00 26.55 N ATOM 133 CA VAL A 13 50.609 105.722 69.299 1.00 26.45 C ATOM 134 C VAL A 13 50.725 106.225 67.856 1.00 27.95 C ATOM 135 O VAL A 13 51.720 106.014 67.190 1.00 27.94 O ATOM 136 CB VAL A 13 51.515 106.534 70.232 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.095 108.005 70.210 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.395 105.996 71.661 1.00 26.97 C ATOM 0 H VAL A 13 52.029 104.157 68.995 1.00 26.55 H new ATOM 0 HA VAL A 13 49.558 105.808 69.576 1.00 26.45 H new ATOM 0 HB VAL A 13 52.547 106.446 69.893 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.742 108.578 70.875 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.182 108.393 69.195 1.00 24.91 H new ATOM 0 HG13 VAL A 13 50.061 108.093 70.545 1.00 24.91 H new ATOM 0 HG21 VAL A 13 52.040 106.574 72.323 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.361 106.081 71.996 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.699 104.949 71.682 1.00 26.97 H new ATOM 148 N SER A 14 49.702 106.891 67.376 1.00 0.00 N ATOM 149 CA SER A 14 49.730 107.418 65.980 1.00 0.00 C ATOM 150 C SER A 14 49.439 108.929 65.970 1.00 0.00 C ATOM 151 O SER A 14 48.305 109.338 66.137 1.00 0.00 O ATOM 152 CB SER A 14 48.631 106.654 65.244 1.00 0.00 C ATOM 153 OG SER A 14 48.580 107.090 63.892 1.00 0.00 O ATOM 0 H SER A 14 48.847 107.092 67.895 1.00 0.00 H new ATOM 0 HA SER A 14 50.704 107.283 65.510 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.827 105.583 65.285 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.669 106.821 65.729 1.00 0.00 H new ATOM 0 HG SER A 14 47.877 106.600 63.417 1.00 0.00 H new ATOM 159 N PRO A 15 50.477 109.710 65.774 1.00 28.75 N ATOM 160 CA PRO A 15 50.277 111.189 65.746 1.00 30.20 C ATOM 161 C PRO A 15 49.844 111.657 64.351 1.00 33.00 C ATOM 162 O PRO A 15 49.947 110.938 63.376 1.00 32.76 O ATOM 163 CB PRO A 15 51.645 111.759 66.101 1.00 29.34 C ATOM 164 CG PRO A 15 52.618 110.702 65.703 1.00 29.59 C ATOM 165 CD PRO A 15 51.914 109.380 65.849 1.00 28.91 C ATOM 0 HA PRO A 15 49.495 111.514 66.432 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.835 112.691 65.568 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.716 111.980 67.166 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.950 110.851 64.676 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.506 110.738 66.334 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.203 108.688 65.058 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.162 108.902 66.797 1.00 28.91 H new ATOM 173 N ARG A 16 49.353 112.868 64.268 1.00 34.77 N ATOM 174 CA ARG A 16 48.893 113.427 62.959 1.00 37.64 C ATOM 175 C ARG A 16 48.889 114.960 63.016 1.00 38.99 C ATOM 176 O ARG A 16 48.413 115.561 63.961 1.00 38.96 O ATOM 177 CB ARG A 16 47.473 112.884 62.751 1.00 40.22 C ATOM 178 CG ARG A 16 46.578 113.290 63.925 1.00 43.41 C ATOM 179 CD ARG A 16 45.175 112.712 63.719 1.00 47.90 C ATOM 180 NE ARG A 16 44.461 112.969 65.000 1.00 51.85 N ATOM 181 CZ ARG A 16 43.664 112.063 65.496 1.00 53.88 C ATOM 182 NH1 ARG A 16 44.153 111.070 66.187 1.00 53.27 N ATOM 183 NH2 ARG A 16 42.376 112.150 65.300 1.00 54.10 N ATOM 0 H ARG A 16 49.250 113.501 65.061 1.00 34.77 H new ATOM 0 HA ARG A 16 49.549 113.140 62.138 1.00 37.64 H new ATOM 0 HB2 ARG A 16 47.061 113.270 61.819 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.500 111.798 62.662 1.00 40.22 H new ATOM 0 HG2 ARG A 16 47.000 112.925 64.861 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.528 114.376 64.000 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.669 113.193 62.882 1.00 47.90 H new ATOM 0 HD3 ARG A 16 45.216 111.646 63.497 1.00 47.90 H new ATOM 0 HE ARG A 16 44.595 113.854 65.490 1.00 51.85 H new ATOM 0 HH11 ARG A 16 45.159 111.002 66.340 1.00 53.27 H new ATOM 0 HH12 ARG A 16 43.529 110.362 66.574 1.00 53.27 H new ATOM 0 HH21 ARG A 16 41.994 112.926 64.759 1.00 54.10 H new ATOM 0 HH22 ARG A 16 41.752 111.442 65.687 1.00 54.10 H new ATOM 197 N PHE A 17 49.443 115.585 62.009 1.00 0.00 N ATOM 198 CA PHE A 17 49.513 117.082 61.976 1.00 0.00 C ATOM 199 C PHE A 17 48.112 117.705 62.051 1.00 0.00 C ATOM 200 O PHE A 17 47.182 117.242 61.419 1.00 0.00 O ATOM 201 CB PHE A 17 50.169 117.413 60.632 1.00 0.00 C ATOM 202 CG PHE A 17 50.401 118.902 60.528 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.424 119.502 61.272 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.600 119.680 59.685 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.646 120.881 61.174 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.822 121.060 59.587 1.00 0.00 C ATOM 207 CZ PHE A 17 50.845 121.659 60.332 1.00 0.00 C ATOM 0 H PHE A 17 49.854 115.120 61.200 1.00 0.00 H new ATOM 0 HA PHE A 17 50.071 117.478 62.824 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.116 116.881 60.538 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.532 117.077 59.814 1.00 0.00 H new ATOM 0 HD1 PHE A 17 52.042 118.901 61.922 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.811 119.217 59.110 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.435 121.343 61.748 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.204 121.662 58.937 1.00 0.00 H new ATOM 0 HZ PHE A 17 51.016 122.723 60.256 1.00 0.00 H new ATOM 217 N LEU A 18 47.967 118.757 62.818 1.00 0.00 N ATOM 218 CA LEU A 18 46.636 119.430 62.944 1.00 0.00 C ATOM 219 C LEU A 18 46.702 120.853 62.377 1.00 0.00 C ATOM 220 O LEU A 18 46.813 121.828 63.094 1.00 0.00 O ATOM 221 CB LEU A 18 46.326 119.445 64.442 1.00 0.00 C ATOM 222 CG LEU A 18 44.813 119.361 64.655 1.00 0.00 C ATOM 223 CD1 LEU A 18 44.297 118.010 64.154 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.502 119.500 66.147 1.00 0.00 C ATOM 0 H LEU A 18 48.716 119.181 63.365 1.00 0.00 H new ATOM 0 HA LEU A 18 45.859 118.910 62.384 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.820 118.607 64.934 1.00 0.00 H new ATOM 0 HB3 LEU A 18 46.717 120.356 64.895 1.00 0.00 H new ATOM 0 HG LEU A 18 44.325 120.163 64.102 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.219 117.953 64.307 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.519 117.907 63.092 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.785 117.207 64.706 1.00 0.00 H new ATOM 0 HD21 LEU A 18 43.425 119.440 66.301 1.00 0.00 H new ATOM 0 HD22 LEU A 18 44.992 118.697 66.697 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.867 120.462 66.507 1.00 0.00 H new ATOM 236 N ALA A 19 46.611 120.956 61.079 1.00 0.00 N ATOM 237 CA ALA A 19 46.636 122.286 60.389 1.00 0.00 C ATOM 238 C ALA A 19 45.344 123.073 60.639 1.00 0.00 C ATOM 239 O ALA A 19 45.365 124.285 60.744 1.00 0.00 O ATOM 240 CB ALA A 19 46.737 121.944 58.900 1.00 0.00 C ATOM 0 H ALA A 19 46.518 120.158 60.451 1.00 0.00 H new ATOM 0 HA ALA A 19 47.457 122.905 60.750 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.761 122.864 58.316 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.649 121.375 58.718 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.873 121.349 58.604 1.00 0.00 H new ATOM 246 N HIS A 20 44.222 122.402 60.710 1.00 0.00 N ATOM 247 CA HIS A 20 42.929 123.129 60.924 1.00 0.00 C ATOM 248 C HIS A 20 42.863 123.729 62.332 1.00 0.00 C ATOM 249 O HIS A 20 42.148 124.686 62.567 1.00 0.00 O ATOM 250 CB HIS A 20 41.832 122.082 60.726 1.00 0.00 C ATOM 251 CG HIS A 20 40.489 122.760 60.713 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.158 123.727 59.777 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.383 122.619 61.515 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.900 124.129 60.037 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.380 123.484 61.085 1.00 0.00 N ATOM 0 H HIS A 20 44.143 121.388 60.630 1.00 0.00 H new ATOM 0 HA HIS A 20 42.819 123.963 60.231 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.990 121.546 59.790 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.871 121.343 61.526 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.303 121.941 62.352 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.375 124.882 59.468 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.449 123.600 61.484 1.00 0.00 H new ATOM 263 N GLN A 21 43.596 123.180 63.267 1.00 51.13 N ATOM 264 CA GLN A 21 43.568 123.728 64.657 1.00 51.59 C ATOM 265 C GLN A 21 44.971 124.160 65.088 1.00 51.55 C ATOM 266 O GLN A 21 45.418 123.842 66.175 1.00 51.24 O ATOM 267 CB GLN A 21 43.070 122.574 65.527 1.00 52.27 C ATOM 268 CG GLN A 21 42.594 123.119 66.876 1.00 52.27 C ATOM 269 CD GLN A 21 41.352 123.986 66.668 1.00 52.27 C ATOM 270 OE1 GLN A 21 40.332 123.508 66.215 1.00 52.37 O ATOM 271 NE2 GLN A 21 41.395 125.253 66.981 1.00 51.79 N ATOM 0 H GLN A 21 44.211 122.378 63.129 1.00 51.13 H new ATOM 0 HA GLN A 21 42.929 124.607 64.740 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.255 122.052 65.026 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.868 121.847 65.678 1.00 52.27 H new ATOM 0 HG2 GLN A 21 42.366 122.295 67.553 1.00 52.27 H new ATOM 0 HG3 GLN A 21 43.385 123.705 67.343 1.00 52.27 H new ATOM 0 HE21 GLN A 21 42.251 125.656 67.362 1.00 51.79 H new ATOM 0 HE22 GLN A 21 40.572 125.840 66.845 1.00 51.79 H new ATOM 280 N SER A 22 45.671 124.880 64.244 1.00 52.26 N ATOM 281 CA SER A 22 47.047 125.331 64.609 1.00 52.76 C ATOM 282 C SER A 22 47.536 126.422 63.652 1.00 51.68 C ATOM 283 O SER A 22 47.182 126.445 62.488 1.00 52.15 O ATOM 284 CB SER A 22 47.917 124.084 64.473 1.00 53.63 C ATOM 285 OG SER A 22 49.244 124.395 64.873 1.00 55.19 O ATOM 0 H SER A 22 45.348 125.173 63.322 1.00 52.26 H new ATOM 0 HA SER A 22 47.081 125.756 65.612 1.00 52.76 H new ATOM 0 HB2 SER A 22 47.518 123.278 65.089 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.908 123.731 63.442 1.00 53.63 H new ATOM 0 HG SER A 22 49.264 125.289 65.273 1.00 55.19 H new ATOM 291 N THR A 23 48.370 127.309 64.132 1.00 0.00 N ATOM 292 CA THR A 23 48.920 128.389 63.256 1.00 0.00 C ATOM 293 C THR A 23 50.455 128.299 63.258 1.00 0.00 C ATOM 294 O THR A 23 51.110 128.839 64.128 1.00 0.00 O ATOM 295 CB THR A 23 48.416 129.722 63.842 1.00 0.00 C ATOM 296 OG1 THR A 23 48.910 130.793 63.051 1.00 0.00 O ATOM 297 CG2 THR A 23 48.884 129.909 65.289 1.00 0.00 C ATOM 0 H THR A 23 48.696 127.332 65.098 1.00 0.00 H new ATOM 0 HA THR A 23 48.595 128.299 62.220 1.00 0.00 H new ATOM 0 HB THR A 23 47.326 129.710 63.834 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.592 131.644 63.418 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.511 130.859 65.672 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.501 129.094 65.904 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.973 129.907 65.322 1.00 0.00 H new ATOM 305 N PRO A 24 50.978 127.580 62.290 1.00 49.88 N ATOM 306 CA PRO A 24 52.460 127.403 62.235 1.00 51.02 C ATOM 307 C PRO A 24 53.185 128.721 61.935 1.00 51.50 C ATOM 308 O PRO A 24 54.355 128.867 62.238 1.00 51.57 O ATOM 309 CB PRO A 24 52.671 126.413 61.093 1.00 51.23 C ATOM 310 CG PRO A 24 51.477 126.574 60.220 1.00 51.05 C ATOM 311 CD PRO A 24 50.334 126.952 61.119 1.00 49.44 C ATOM 0 HA PRO A 24 52.861 127.057 63.188 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.590 126.628 60.548 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.753 125.392 61.466 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.649 127.344 59.467 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.260 125.649 59.686 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.651 127.642 60.624 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.750 126.078 61.408 1.00 49.44 H new ATOM 319 N ASP A 25 52.517 129.669 61.329 1.00 0.00 N ATOM 320 CA ASP A 25 53.194 130.963 60.997 1.00 0.00 C ATOM 321 C ASP A 25 53.579 131.724 62.273 1.00 0.00 C ATOM 322 O ASP A 25 54.467 132.557 62.253 1.00 0.00 O ATOM 323 CB ASP A 25 52.189 131.757 60.162 1.00 0.00 C ATOM 324 CG ASP A 25 52.031 131.100 58.788 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.005 130.551 58.298 1.00 0.00 O ATOM 326 OD2 ASP A 25 50.938 131.160 58.248 1.00 0.00 O ATOM 0 H ASP A 25 51.538 129.606 61.050 1.00 0.00 H new ATOM 0 HA ASP A 25 54.122 130.800 60.449 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.226 131.794 60.672 1.00 0.00 H new ATOM 0 HB3 ASP A 25 52.529 132.786 60.047 1.00 0.00 H new ATOM 331 N GLU A 26 52.926 131.453 63.376 1.00 0.00 N ATOM 332 CA GLU A 26 53.268 132.173 64.643 1.00 0.00 C ATOM 333 C GLU A 26 54.037 131.252 65.601 1.00 0.00 C ATOM 334 O GLU A 26 54.041 131.460 66.801 1.00 0.00 O ATOM 335 CB GLU A 26 51.921 132.571 65.249 1.00 0.00 C ATOM 336 CG GLU A 26 51.279 133.667 64.392 1.00 0.00 C ATOM 337 CD GLU A 26 49.925 134.077 64.988 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.371 133.305 65.756 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.466 135.159 64.664 1.00 0.00 O ATOM 0 H GLU A 26 52.174 130.768 63.455 1.00 0.00 H new ATOM 0 HA GLU A 26 53.908 133.036 64.460 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.263 131.703 65.301 1.00 0.00 H new ATOM 0 HB3 GLU A 26 52.060 132.927 66.270 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.939 134.533 64.340 1.00 0.00 H new ATOM 0 HG3 GLU A 26 51.143 133.309 63.372 1.00 0.00 H new ATOM 346 N GLY A 27 54.685 130.238 65.082 1.00 0.00 N ATOM 347 CA GLY A 27 55.454 129.301 65.956 1.00 0.00 C ATOM 348 C GLY A 27 54.488 128.491 66.824 1.00 0.00 C ATOM 349 O GLY A 27 54.822 128.074 67.917 1.00 0.00 O ATOM 0 H GLY A 27 54.714 130.019 64.086 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.057 128.630 65.344 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.143 129.861 66.588 1.00 0.00 H new ATOM 353 N ARG A 28 53.295 128.265 66.340 1.00 0.00 N ATOM 354 CA ARG A 28 52.294 127.480 67.122 1.00 0.00 C ATOM 355 C ARG A 28 51.844 126.255 66.323 1.00 0.00 C ATOM 356 O ARG A 28 50.928 126.331 65.523 1.00 0.00 O ATOM 357 CB ARG A 28 51.128 128.439 67.346 1.00 0.00 C ATOM 358 CG ARG A 28 51.549 129.535 68.327 1.00 0.00 C ATOM 359 CD ARG A 28 51.552 128.974 69.751 1.00 0.00 C ATOM 360 NE ARG A 28 52.206 130.025 70.577 1.00 0.00 N ATOM 361 CZ ARG A 28 51.533 131.085 70.936 1.00 0.00 C ATOM 362 NH1 ARG A 28 50.552 130.979 71.789 1.00 0.00 N ATOM 363 NH2 ARG A 28 51.843 132.252 70.441 1.00 0.00 N ATOM 0 H ARG A 28 52.969 128.593 65.431 1.00 0.00 H new ATOM 0 HA ARG A 28 52.700 127.110 68.063 1.00 0.00 H new ATOM 0 HB2 ARG A 28 50.821 128.882 66.399 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.267 127.897 67.738 1.00 0.00 H new ATOM 0 HG2 ARG A 28 52.541 129.907 68.069 1.00 0.00 H new ATOM 0 HG3 ARG A 28 50.864 130.380 68.260 1.00 0.00 H new ATOM 0 HD2 ARG A 28 50.539 128.773 70.098 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.100 128.033 69.803 1.00 0.00 H new ATOM 0 HE ARG A 28 53.179 129.918 70.863 1.00 0.00 H new ATOM 0 HH11 ARG A 28 50.310 130.067 72.177 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.027 131.808 72.068 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.610 132.336 69.774 1.00 0.00 H new ATOM 0 HH22 ARG A 28 51.318 133.080 70.721 1.00 0.00 H new ATOM 377 N TYR A 29 52.471 125.125 66.542 1.00 46.07 N ATOM 378 CA TYR A 29 52.072 123.887 65.805 1.00 43.41 C ATOM 379 C TYR A 29 51.299 122.965 66.754 1.00 41.37 C ATOM 380 O TYR A 29 51.725 122.722 67.867 1.00 39.95 O ATOM 381 CB TYR A 29 53.386 123.222 65.370 1.00 43.56 C ATOM 382 CG TYR A 29 54.230 124.195 64.575 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.053 125.110 65.243 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.194 124.179 63.176 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.839 126.008 64.513 1.00 42.67 C ATOM 386 CE2 TYR A 29 54.981 125.079 62.446 1.00 42.98 C ATOM 387 CZ TYR A 29 55.803 125.993 63.115 1.00 43.35 C ATOM 388 OH TYR A 29 56.578 126.878 62.394 1.00 43.13 O ATOM 0 H TYR A 29 53.242 125.007 67.199 1.00 46.07 H new ATOM 0 HA TYR A 29 51.433 124.101 64.948 1.00 43.41 H new ATOM 0 HB2 TYR A 29 53.938 122.884 66.247 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.172 122.339 64.768 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.081 125.122 66.323 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.560 123.473 62.660 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.474 126.713 65.029 1.00 42.67 H new ATOM 0 HE2 TYR A 29 54.953 125.068 61.366 1.00 42.98 H new ATOM 0 HH TYR A 29 56.055 127.681 62.192 1.00 43.13 H new ATOM 398 N ALA A 30 50.167 122.463 66.329 1.00 0.00 N ATOM 399 CA ALA A 30 49.370 121.571 67.228 1.00 0.00 C ATOM 400 C ALA A 30 49.297 120.149 66.667 1.00 0.00 C ATOM 401 O ALA A 30 48.801 119.924 65.579 1.00 0.00 O ATOM 402 CB ALA A 30 47.978 122.201 67.289 1.00 0.00 C ATOM 0 H ALA A 30 49.762 122.629 65.408 1.00 0.00 H new ATOM 0 HA ALA A 30 49.823 121.487 68.216 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.335 121.600 67.932 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.053 123.211 67.692 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.553 122.241 66.286 1.00 0.00 H new ATOM 408 N PHE A 31 49.776 119.187 67.414 1.00 36.58 N ATOM 409 CA PHE A 31 49.729 117.769 66.948 1.00 36.29 C ATOM 410 C PHE A 31 48.805 116.960 67.860 1.00 35.25 C ATOM 411 O PHE A 31 48.877 117.069 69.070 1.00 34.09 O ATOM 412 CB PHE A 31 51.162 117.251 67.077 1.00 36.39 C ATOM 413 CG PHE A 31 52.058 117.940 66.077 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.612 119.188 66.380 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.341 117.326 64.853 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.450 119.823 65.456 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.178 117.961 63.928 1.00 37.25 C ATOM 418 CZ PHE A 31 53.734 119.209 64.230 1.00 36.45 C ATOM 0 H PHE A 31 50.200 119.324 68.332 1.00 36.58 H new ATOM 0 HA PHE A 31 49.354 117.685 65.928 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.530 117.427 68.088 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.183 116.174 66.913 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.393 119.661 67.326 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.914 116.362 64.621 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.878 120.787 65.689 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.395 117.488 62.982 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.382 119.698 63.518 1.00 36.45 H new ATOM 428 N ALA A 32 47.957 116.133 67.303 1.00 34.06 N ATOM 429 CA ALA A 32 47.052 115.298 68.147 1.00 32.35 C ATOM 430 C ALA A 32 47.475 113.836 68.011 1.00 31.25 C ATOM 431 O ALA A 32 47.687 113.356 66.913 1.00 31.96 O ATOM 432 CB ALA A 32 45.652 115.513 67.570 1.00 32.65 C ATOM 0 H ALA A 32 47.853 116.000 66.297 1.00 34.06 H new ATOM 0 HA ALA A 32 47.085 115.561 69.204 1.00 32.35 H new ATOM 0 HB1 ALA A 32 44.930 114.929 68.140 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.392 116.570 67.630 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.635 115.193 66.528 1.00 32.65 H new ATOM 438 N TYR A 33 47.624 113.127 69.103 1.00 29.03 N ATOM 439 CA TYR A 33 48.061 111.700 68.995 1.00 27.15 C ATOM 440 C TYR A 33 47.129 110.768 69.776 1.00 26.72 C ATOM 441 O TYR A 33 46.618 111.116 70.823 1.00 28.24 O ATOM 442 CB TYR A 33 49.501 111.670 69.542 1.00 26.09 C ATOM 443 CG TYR A 33 49.535 111.880 71.043 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.328 113.152 71.587 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.793 110.794 71.886 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.375 113.335 72.975 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.845 110.978 73.272 1.00 25.85 C ATOM 448 CZ TYR A 33 49.636 112.247 73.817 1.00 27.60 C ATOM 449 OH TYR A 33 49.694 112.427 75.184 1.00 28.81 O ATOM 0 H TYR A 33 47.465 113.468 70.051 1.00 29.03 H new ATOM 0 HA TYR A 33 48.023 111.342 67.966 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.963 110.714 69.298 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.092 112.444 69.053 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.132 113.992 70.937 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.952 109.812 71.466 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.210 114.316 73.396 1.00 25.46 H new ATOM 0 HE2 TYR A 33 50.047 110.138 73.921 1.00 25.85 H new ATOM 0 HH TYR A 33 48.786 112.427 75.553 1.00 28.81 H new ATOM 459 N SER A 34 46.908 109.583 69.264 1.00 0.00 N ATOM 460 CA SER A 34 46.014 108.613 69.962 1.00 0.00 C ATOM 461 C SER A 34 46.853 107.533 70.648 1.00 0.00 C ATOM 462 O SER A 34 47.855 107.088 70.125 1.00 0.00 O ATOM 463 CB SER A 34 45.149 108.004 68.858 1.00 0.00 C ATOM 464 OG SER A 34 45.989 107.370 67.901 1.00 0.00 O ATOM 0 H SER A 34 47.310 109.246 68.389 1.00 0.00 H new ATOM 0 HA SER A 34 45.408 109.086 70.734 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.452 107.282 69.283 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.552 108.779 68.378 1.00 0.00 H new ATOM 0 HG SER A 34 45.438 106.977 67.192 1.00 0.00 H new ATOM 470 N ILE A 35 46.455 107.125 71.823 1.00 0.00 N ATOM 471 CA ILE A 35 47.223 106.087 72.573 1.00 0.00 C ATOM 472 C ILE A 35 46.490 104.740 72.571 1.00 0.00 C ATOM 473 O ILE A 35 45.308 104.655 72.842 1.00 0.00 O ATOM 474 CB ILE A 35 47.299 106.649 74.003 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.090 107.968 73.991 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.993 105.643 74.935 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.525 107.727 73.497 1.00 0.00 C ATOM 0 H ILE A 35 45.622 107.470 72.301 1.00 0.00 H new ATOM 0 HA ILE A 35 48.201 105.898 72.131 1.00 0.00 H new ATOM 0 HB ILE A 35 46.288 106.828 74.368 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.593 108.692 73.345 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.111 108.396 74.993 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.040 106.054 75.944 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.429 104.711 74.949 1.00 0.00 H new ATOM 0 HG23 ILE A 35 49.003 105.450 74.574 1.00 0.00 H new ATOM 0 HD11 ILE A 35 50.072 108.670 73.494 1.00 0.00 H new ATOM 0 HD12 ILE A 35 50.024 107.020 74.160 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.498 107.320 72.486 1.00 0.00 H new ATOM 489 N ARG A 36 47.208 103.691 72.265 1.00 25.30 N ATOM 490 CA ARG A 36 46.600 102.328 72.237 1.00 25.64 C ATOM 491 C ARG A 36 47.364 101.406 73.190 1.00 23.79 C ATOM 492 O ARG A 36 48.402 100.871 72.857 1.00 25.11 O ATOM 493 CB ARG A 36 46.750 101.854 70.791 1.00 28.66 C ATOM 494 CG ARG A 36 45.817 102.665 69.889 1.00 34.24 C ATOM 495 CD ARG A 36 45.967 102.193 68.440 1.00 37.45 C ATOM 496 NE ARG A 36 47.385 102.473 68.085 1.00 40.12 N ATOM 497 CZ ARG A 36 47.941 101.851 67.081 1.00 40.24 C ATOM 498 NH1 ARG A 36 48.181 100.571 67.159 1.00 39.07 N ATOM 499 NH2 ARG A 36 48.256 102.510 65.999 1.00 39.81 N ATOM 0 H ARG A 36 48.200 103.721 72.031 1.00 25.30 H new ATOM 0 HA ARG A 36 45.557 102.327 72.553 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.783 101.972 70.464 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.512 100.793 70.718 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.784 102.546 70.216 1.00 34.24 H new ATOM 0 HG3 ARG A 36 46.054 103.726 69.963 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.739 101.131 68.346 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.283 102.725 67.779 1.00 37.45 H new ATOM 0 HE ARG A 36 47.922 103.151 68.626 1.00 40.12 H new ATOM 0 HH11 ARG A 36 47.934 100.056 68.004 1.00 39.07 H new ATOM 0 HH12 ARG A 36 48.615 100.085 66.375 1.00 39.07 H new ATOM 0 HH21 ARG A 36 48.068 103.511 65.938 1.00 39.81 H new ATOM 0 HH22 ARG A 36 48.690 102.024 65.214 1.00 39.81 H new ATOM 513 N ILE A 37 46.850 101.230 74.377 1.00 20.73 N ATOM 514 CA ILE A 37 47.523 100.356 75.385 1.00 18.17 C ATOM 515 C ILE A 37 46.998 98.919 75.289 1.00 17.71 C ATOM 516 O ILE A 37 45.837 98.656 75.533 1.00 15.34 O ATOM 517 CB ILE A 37 47.159 100.968 76.743 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.639 102.421 76.803 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.839 100.174 77.862 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.042 103.108 78.033 1.00 16.07 C ATOM 0 H ILE A 37 45.982 101.659 74.697 1.00 20.73 H new ATOM 0 HA ILE A 37 48.601 100.307 75.230 1.00 18.17 H new ATOM 0 HB ILE A 37 46.077 100.934 76.869 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.728 102.453 76.848 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.342 102.951 75.898 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.580 100.610 78.827 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.502 99.138 77.830 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.920 100.208 77.727 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.385 104.142 78.074 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.954 103.088 77.969 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.362 102.584 78.934 1.00 16.07 H new ATOM 532 N GLN A 38 47.854 97.986 74.955 1.00 0.00 N ATOM 533 CA GLN A 38 47.423 96.558 74.865 1.00 0.00 C ATOM 534 C GLN A 38 48.203 95.724 75.886 1.00 0.00 C ATOM 535 O GLN A 38 49.408 95.845 76.013 1.00 0.00 O ATOM 536 CB GLN A 38 47.745 96.124 73.433 1.00 0.00 C ATOM 537 CG GLN A 38 47.325 94.664 73.231 1.00 0.00 C ATOM 538 CD GLN A 38 47.549 94.257 71.771 1.00 0.00 C ATOM 539 OE1 GLN A 38 47.728 95.097 70.910 1.00 0.00 O ATOM 540 NE2 GLN A 38 47.547 92.992 71.454 1.00 0.00 N ATOM 0 H GLN A 38 48.837 98.153 74.740 1.00 0.00 H new ATOM 0 HA GLN A 38 46.364 96.424 75.084 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.223 96.765 72.722 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.812 96.236 73.240 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.901 94.016 73.891 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.275 94.538 73.496 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.397 92.286 72.175 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.695 92.709 70.485 1.00 0.00 H new ATOM 549 N ASN A 39 47.513 94.886 76.619 1.00 15.86 N ATOM 550 CA ASN A 39 48.198 94.045 77.646 1.00 17.88 C ATOM 551 C ASN A 39 48.531 92.663 77.077 1.00 18.37 C ATOM 552 O ASN A 39 47.647 91.903 76.723 1.00 18.69 O ATOM 553 CB ASN A 39 47.214 93.934 78.809 1.00 19.10 C ATOM 554 CG ASN A 39 47.889 93.217 79.979 1.00 21.34 C ATOM 555 OD1 ASN A 39 47.786 92.014 80.110 1.00 20.99 O ATOM 556 ND2 ASN A 39 48.581 93.908 80.841 1.00 19.13 N ATOM 0 H ASN A 39 46.505 94.749 76.550 1.00 15.86 H new ATOM 0 HA ASN A 39 49.143 94.485 77.964 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.885 94.926 79.117 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.325 93.386 78.497 1.00 19.10 H new ATOM 0 HD21 ASN A 39 49.035 93.438 81.624 1.00 19.13 H new ATOM 0 HD22 ASN A 39 48.668 94.918 80.732 1.00 19.13 H new ATOM 563 N ALA A 40 49.792 92.323 77.005 1.00 0.00 N ATOM 564 CA ALA A 40 50.185 90.980 76.482 1.00 0.00 C ATOM 565 C ALA A 40 50.849 90.145 77.588 1.00 0.00 C ATOM 566 O ALA A 40 51.464 89.131 77.317 1.00 0.00 O ATOM 567 CB ALA A 40 51.170 91.261 75.347 1.00 0.00 C ATOM 0 H ALA A 40 50.569 92.920 77.287 1.00 0.00 H new ATOM 0 HA ALA A 40 49.324 90.409 76.135 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.503 90.318 74.913 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.680 91.861 74.580 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.030 91.805 75.738 1.00 0.00 H new ATOM 573 N GLY A 41 50.726 90.556 78.831 1.00 27.60 N ATOM 574 CA GLY A 41 51.346 89.779 79.946 1.00 28.62 C ATOM 575 C GLY A 41 50.443 88.599 80.303 1.00 29.10 C ATOM 576 O GLY A 41 49.396 88.411 79.711 1.00 28.18 O ATOM 0 H GLY A 41 50.223 91.396 79.117 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.332 89.421 79.650 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.487 90.420 80.816 1.00 28.62 H new ATOM 580 N ALA A 42 50.838 87.804 81.264 1.00 0.00 N ATOM 581 CA ALA A 42 50.002 86.632 81.661 1.00 0.00 C ATOM 582 C ALA A 42 49.062 87.021 82.799 1.00 0.00 C ATOM 583 O ALA A 42 47.950 86.539 82.898 1.00 0.00 O ATOM 584 CB ALA A 42 51.001 85.574 82.128 1.00 0.00 C ATOM 0 H ALA A 42 51.704 87.916 81.791 1.00 0.00 H new ATOM 0 HA ALA A 42 49.379 86.270 80.843 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.464 84.678 82.438 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.678 85.327 81.310 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.575 85.962 82.969 1.00 0.00 H new ATOM 590 N VAL A 43 49.514 87.893 83.654 1.00 0.00 N ATOM 591 CA VAL A 43 48.670 88.340 84.806 1.00 0.00 C ATOM 592 C VAL A 43 48.126 89.752 84.535 1.00 0.00 C ATOM 593 O VAL A 43 48.830 90.592 84.011 1.00 0.00 O ATOM 594 CB VAL A 43 49.621 88.326 86.010 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.901 88.827 87.264 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.115 86.897 86.249 1.00 0.00 C ATOM 0 H VAL A 43 50.439 88.321 83.608 1.00 0.00 H new ATOM 0 HA VAL A 43 47.803 87.702 84.975 1.00 0.00 H new ATOM 0 HB VAL A 43 50.465 88.983 85.800 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.589 88.811 88.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.551 89.846 87.100 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.049 88.181 87.477 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.791 86.884 87.104 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.264 86.246 86.450 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.643 86.542 85.364 1.00 0.00 H new ATOM 606 N PRO A 44 46.872 89.966 84.894 1.00 21.08 N ATOM 607 CA PRO A 44 46.266 91.317 84.650 1.00 21.01 C ATOM 608 C PRO A 44 47.151 92.442 85.204 1.00 21.95 C ATOM 609 O PRO A 44 47.822 92.285 86.210 1.00 21.40 O ATOM 610 CB PRO A 44 44.926 91.260 85.382 1.00 20.53 C ATOM 611 CG PRO A 44 45.116 90.211 86.417 1.00 18.90 C ATOM 612 CD PRO A 44 45.998 89.175 85.782 1.00 19.89 C ATOM 0 HA PRO A 44 46.156 91.534 83.587 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.677 92.221 85.831 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.112 91.006 84.703 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.578 90.624 87.314 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.161 89.781 86.720 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.574 88.626 86.527 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.417 88.441 85.224 1.00 19.89 H new ATOM 620 N ALA A 45 47.159 93.570 84.539 1.00 20.91 N ATOM 621 CA ALA A 45 48.004 94.711 84.996 1.00 19.47 C ATOM 622 C ALA A 45 47.251 96.042 84.900 1.00 19.21 C ATOM 623 O ALA A 45 46.378 96.229 84.070 1.00 19.53 O ATOM 624 CB ALA A 45 49.191 94.718 84.035 1.00 18.37 C ATOM 0 H ALA A 45 46.614 93.749 83.696 1.00 20.91 H new ATOM 0 HA ALA A 45 48.298 94.598 86.040 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.868 95.530 84.299 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.720 93.768 84.104 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.833 94.861 83.015 1.00 18.37 H new ATOM 630 N ARG A 46 47.599 96.965 85.755 1.00 0.00 N ATOM 631 CA ARG A 46 46.940 98.302 85.754 1.00 0.00 C ATOM 632 C ARG A 46 48.009 99.392 85.651 1.00 0.00 C ATOM 633 O ARG A 46 49.140 99.196 86.052 1.00 0.00 O ATOM 634 CB ARG A 46 46.213 98.379 87.100 1.00 0.00 C ATOM 635 CG ARG A 46 45.498 99.727 87.235 1.00 0.00 C ATOM 636 CD ARG A 46 45.055 99.924 88.686 1.00 0.00 C ATOM 637 NE ARG A 46 46.317 99.951 89.475 1.00 0.00 N ATOM 638 CZ ARG A 46 46.312 99.582 90.726 1.00 0.00 C ATOM 639 NH1 ARG A 46 46.507 98.330 91.039 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.113 100.466 91.666 1.00 0.00 N ATOM 0 H ARG A 46 48.323 96.847 86.464 1.00 0.00 H new ATOM 0 HA ARG A 46 46.254 98.440 84.918 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.491 97.566 87.179 1.00 0.00 H new ATOM 0 HB3 ARG A 46 46.926 98.253 87.915 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.163 100.536 86.933 1.00 0.00 H new ATOM 0 HG3 ARG A 46 44.634 99.761 86.572 1.00 0.00 H new ATOM 0 HD2 ARG A 46 44.495 100.852 88.805 1.00 0.00 H new ATOM 0 HD3 ARG A 46 44.403 99.114 89.013 1.00 0.00 H new ATOM 0 HE ARG A 46 47.186 100.258 89.037 1.00 0.00 H new ATOM 0 HH11 ARG A 46 46.663 97.639 90.305 1.00 0.00 H new ATOM 0 HH12 ARG A 46 46.503 98.042 92.018 1.00 0.00 H new ATOM 0 HH21 ARG A 46 45.962 101.445 91.422 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.109 100.178 92.644 1.00 0.00 H new ATOM 654 N LEU A 47 47.661 100.534 85.115 1.00 0.00 N ATOM 655 CA LEU A 47 48.661 101.636 84.985 1.00 0.00 C ATOM 656 C LEU A 47 48.512 102.607 86.154 1.00 0.00 C ATOM 657 O LEU A 47 47.483 103.236 86.320 1.00 0.00 O ATOM 658 CB LEU A 47 48.324 102.327 83.662 1.00 0.00 C ATOM 659 CG LEU A 47 49.470 103.260 83.263 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.376 103.575 81.769 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.374 104.561 84.062 1.00 0.00 C ATOM 0 H LEU A 47 46.729 100.751 84.762 1.00 0.00 H new ATOM 0 HA LEU A 47 49.688 101.272 84.998 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.160 101.583 82.883 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.398 102.894 83.762 1.00 0.00 H new ATOM 0 HG LEU A 47 50.422 102.773 83.474 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.192 104.239 81.485 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.446 102.650 81.197 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.423 104.061 81.559 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.191 105.224 83.777 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.421 105.047 83.852 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.442 104.340 85.127 1.00 0.00 H new ATOM 673 N VAL A 48 49.529 102.728 86.969 1.00 0.00 N ATOM 674 CA VAL A 48 49.447 103.653 88.135 1.00 0.00 C ATOM 675 C VAL A 48 50.173 104.967 87.830 1.00 0.00 C ATOM 676 O VAL A 48 49.853 105.998 88.395 1.00 0.00 O ATOM 677 CB VAL A 48 50.123 102.908 89.292 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.083 103.773 90.557 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.383 101.594 89.559 1.00 0.00 C ATOM 0 H VAL A 48 50.412 102.225 86.876 1.00 0.00 H new ATOM 0 HA VAL A 48 48.417 103.917 88.376 1.00 0.00 H new ATOM 0 HB VAL A 48 51.159 102.698 89.025 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.564 103.240 91.377 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.609 104.710 90.374 1.00 0.00 H new ATOM 0 HG13 VAL A 48 49.047 103.985 90.820 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.865 101.066 90.382 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.347 101.807 89.822 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.410 100.973 88.664 1.00 0.00 H new ATOM 689 N ALA A 49 51.158 104.944 86.958 1.00 0.00 N ATOM 690 CA ALA A 49 51.896 106.211 86.659 1.00 0.00 C ATOM 691 C ALA A 49 52.239 106.342 85.170 1.00 0.00 C ATOM 692 O ALA A 49 52.226 105.384 84.422 1.00 0.00 O ATOM 693 CB ALA A 49 53.173 106.128 87.495 1.00 0.00 C ATOM 0 H ALA A 49 51.476 104.118 86.451 1.00 0.00 H new ATOM 0 HA ALA A 49 51.290 107.085 86.899 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.773 107.023 87.332 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.912 106.053 88.551 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.745 105.249 87.199 1.00 0.00 H new ATOM 699 N ARG A 50 52.553 107.540 84.755 1.00 18.13 N ATOM 700 CA ARG A 50 52.915 107.803 83.330 1.00 20.89 C ATOM 701 C ARG A 50 54.068 108.814 83.263 1.00 22.46 C ATOM 702 O ARG A 50 54.109 109.777 84.006 1.00 23.35 O ATOM 703 CB ARG A 50 51.637 108.374 82.694 1.00 21.09 C ATOM 704 CG ARG A 50 51.269 109.717 83.334 1.00 22.20 C ATOM 705 CD ARG A 50 49.844 110.101 82.931 1.00 26.75 C ATOM 706 NE ARG A 50 49.690 111.519 83.359 1.00 26.68 N ATOM 707 CZ ARG A 50 49.815 112.481 82.486 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.941 112.605 81.524 1.00 27.75 N ATOM 709 NH2 ARG A 50 50.811 113.320 82.576 1.00 29.05 N ATOM 0 H ARG A 50 52.574 108.364 85.355 1.00 18.13 H new ATOM 0 HA ARG A 50 53.253 106.907 82.809 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.785 108.504 81.622 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.816 107.668 82.819 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.345 109.648 84.419 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.969 110.489 83.014 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.696 109.995 81.856 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.110 109.460 83.419 1.00 26.75 H new ATOM 0 HE ARG A 50 49.487 111.738 84.334 1.00 26.68 H new ATOM 0 HH11 ARG A 50 48.162 111.950 81.455 1.00 27.75 H new ATOM 0 HH12 ARG A 50 49.037 113.356 80.841 1.00 27.75 H new ATOM 0 HH21 ARG A 50 51.492 113.224 83.329 1.00 29.05 H new ATOM 0 HH22 ARG A 50 50.908 114.072 81.893 1.00 29.05 H new ATOM 723 N HIS A 51 55.007 108.587 82.381 1.00 22.89 N ATOM 724 CA HIS A 51 56.175 109.511 82.257 1.00 23.99 C ATOM 725 C HIS A 51 56.588 109.651 80.786 1.00 24.58 C ATOM 726 O HIS A 51 57.084 108.723 80.176 1.00 24.14 O ATOM 727 CB HIS A 51 57.282 108.845 83.083 1.00 22.92 C ATOM 728 CG HIS A 51 58.540 109.668 83.026 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.791 109.118 83.263 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.759 110.996 82.761 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.696 110.105 83.139 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.121 111.270 82.833 1.00 25.48 N ATOM 0 H HIS A 51 55.015 107.796 81.737 1.00 22.89 H new ATOM 0 HA HIS A 51 55.955 110.519 82.610 1.00 23.99 H new ATOM 0 HB2 HIS A 51 56.957 108.735 84.118 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.477 107.843 82.702 1.00 22.92 H new ATOM 0 HD1 HIS A 51 59.988 108.143 83.490 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.991 111.719 82.531 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.760 109.971 83.271 1.00 26.28 H new ATOM 740 N TRP A 52 56.382 110.815 80.223 1.00 24.73 N ATOM 741 CA TRP A 52 56.754 111.054 78.796 1.00 24.73 C ATOM 742 C TRP A 52 58.016 111.918 78.691 1.00 25.24 C ATOM 743 O TRP A 52 58.164 112.908 79.382 1.00 25.25 O ATOM 744 CB TRP A 52 55.557 111.800 78.203 1.00 22.37 C ATOM 745 CG TRP A 52 54.515 110.820 77.774 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.358 110.571 78.429 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.521 109.948 76.607 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.652 109.603 77.736 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.329 109.188 76.604 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.437 109.749 75.559 1.00 19.22 C ATOM 751 CZ2 TRP A 52 53.055 108.261 75.598 1.00 19.14 C ATOM 752 CZ3 TRP A 52 55.165 108.817 74.544 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.976 108.074 74.564 1.00 18.33 C ATOM 0 H TRP A 52 55.968 111.618 80.697 1.00 24.73 H new ATOM 0 HA TRP A 52 56.972 110.122 78.274 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.142 112.487 78.941 1.00 22.37 H new ATOM 0 HB3 TRP A 52 55.876 112.402 77.352 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.038 111.049 79.343 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.744 109.240 78.025 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.356 110.316 75.534 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 52.137 107.692 75.618 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.876 108.672 73.744 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.772 107.358 73.781 1.00 18.33 H new ATOM 764 N GLN A 53 58.920 111.544 77.824 1.00 0.00 N ATOM 765 CA GLN A 53 60.181 112.326 77.646 1.00 0.00 C ATOM 766 C GLN A 53 60.222 112.907 76.230 1.00 0.00 C ATOM 767 O GLN A 53 60.820 112.337 75.335 1.00 0.00 O ATOM 768 CB GLN A 53 61.306 111.308 77.840 1.00 0.00 C ATOM 769 CG GLN A 53 62.660 112.012 77.727 1.00 0.00 C ATOM 770 CD GLN A 53 63.781 111.050 78.133 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.535 110.033 78.752 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.013 111.331 77.808 1.00 0.00 N ATOM 0 H GLN A 53 58.838 110.722 77.225 1.00 0.00 H new ATOM 0 HA GLN A 53 60.265 113.159 78.344 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.213 110.830 78.815 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.231 110.520 77.090 1.00 0.00 H new ATOM 0 HG2 GLN A 53 62.817 112.357 76.705 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.676 112.894 78.367 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.222 112.184 77.289 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.767 110.698 78.073 1.00 0.00 H new ATOM 781 N ILE A 54 59.564 114.020 76.012 1.00 28.56 N ATOM 782 CA ILE A 54 59.538 114.628 74.643 1.00 31.69 C ATOM 783 C ILE A 54 60.776 115.508 74.388 1.00 31.35 C ATOM 784 O ILE A 54 61.097 116.394 75.156 1.00 31.20 O ATOM 785 CB ILE A 54 58.215 115.444 74.567 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.308 116.748 75.383 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.038 114.604 75.090 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.051 117.589 75.143 1.00 36.11 C ATOM 0 H ILE A 54 59.044 114.534 76.723 1.00 28.56 H new ATOM 0 HA ILE A 54 59.570 113.863 73.867 1.00 31.69 H new ATOM 0 HB ILE A 54 58.050 115.700 73.520 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.409 116.520 76.444 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.196 117.310 75.092 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.120 115.188 75.031 1.00 31.08 H new ATOM 0 HG22 ILE A 54 56.936 113.704 74.484 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.223 114.324 76.127 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.115 118.512 75.720 1.00 36.11 H new ATOM 0 HD12 ILE A 54 56.970 117.828 74.083 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.171 117.026 75.456 1.00 36.11 H new ATOM 800 N THR A 55 61.456 115.273 73.294 1.00 32.39 N ATOM 801 CA THR A 55 62.652 116.101 72.944 1.00 32.79 C ATOM 802 C THR A 55 62.402 116.766 71.591 1.00 33.98 C ATOM 803 O THR A 55 61.965 116.135 70.648 1.00 33.62 O ATOM 804 CB THR A 55 63.842 115.141 72.888 1.00 32.44 C ATOM 805 OG1 THR A 55 63.852 114.332 74.056 1.00 30.14 O ATOM 806 CG2 THR A 55 65.142 115.942 72.807 1.00 31.51 C ATOM 0 H THR A 55 61.233 114.538 72.623 1.00 32.39 H new ATOM 0 HA THR A 55 62.848 116.889 73.671 1.00 32.79 H new ATOM 0 HB THR A 55 63.755 114.505 72.007 1.00 32.44 H new ATOM 0 HG1 THR A 55 63.522 114.853 74.818 1.00 30.14 H new ATOM 0 HG21 THR A 55 65.989 115.257 72.767 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.133 116.561 71.910 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.232 116.580 73.686 1.00 31.51 H new ATOM 814 N ASP A 56 62.654 118.050 71.505 1.00 36.19 N ATOM 815 CA ASP A 56 62.405 118.779 70.227 1.00 38.66 C ATOM 816 C ASP A 56 63.634 118.733 69.312 1.00 38.50 C ATOM 817 O ASP A 56 64.703 118.307 69.701 1.00 37.75 O ATOM 818 CB ASP A 56 62.081 120.215 70.641 1.00 41.21 C ATOM 819 CG ASP A 56 61.464 120.964 69.458 1.00 42.74 C ATOM 820 OD1 ASP A 56 60.726 120.345 68.710 1.00 45.04 O ATOM 821 OD2 ASP A 56 61.741 122.145 69.321 1.00 43.86 O ATOM 0 H ASP A 56 63.021 118.622 72.265 1.00 36.19 H new ATOM 0 HA ASP A 56 61.593 118.328 69.658 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.390 120.214 71.484 1.00 41.21 H new ATOM 0 HB3 ASP A 56 62.987 120.722 70.972 1.00 41.21 H new ATOM 826 N GLY A 57 63.466 119.160 68.086 1.00 37.51 N ATOM 827 CA GLY A 57 64.588 119.147 67.098 1.00 38.01 C ATOM 828 C GLY A 57 65.759 120.047 67.537 1.00 39.47 C ATOM 829 O GLY A 57 66.808 120.025 66.918 1.00 38.99 O ATOM 0 H GLY A 57 62.585 119.523 67.722 1.00 37.51 H new ATOM 0 HA2 GLY A 57 64.945 118.125 66.970 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.220 119.480 66.128 1.00 38.01 H new ATOM 833 N ASN A 58 65.618 120.821 68.593 1.00 0.00 N ATOM 834 CA ASN A 58 66.761 121.680 69.038 1.00 0.00 C ATOM 835 C ASN A 58 67.481 121.046 70.243 1.00 0.00 C ATOM 836 O ASN A 58 68.363 121.645 70.829 1.00 0.00 O ATOM 837 CB ASN A 58 66.140 123.026 69.414 1.00 0.00 C ATOM 838 CG ASN A 58 67.249 124.054 69.640 1.00 0.00 C ATOM 839 OD1 ASN A 58 67.707 124.237 70.750 1.00 0.00 O ATOM 840 ND2 ASN A 58 67.703 124.739 68.626 1.00 0.00 N ATOM 0 H ASN A 58 64.771 120.893 69.157 1.00 0.00 H new ATOM 0 HA ASN A 58 67.512 121.792 68.256 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.472 123.364 68.622 1.00 0.00 H new ATOM 0 HB3 ASN A 58 65.537 122.921 70.316 1.00 0.00 H new ATOM 0 HD21 ASN A 58 68.442 125.428 68.766 1.00 0.00 H new ATOM 0 HD22 ASN A 58 67.319 124.586 67.694 1.00 0.00 H new ATOM 847 N GLY A 59 67.127 119.831 70.603 1.00 0.00 N ATOM 848 CA GLY A 59 67.802 119.153 71.749 1.00 0.00 C ATOM 849 C GLY A 59 67.035 119.391 73.053 1.00 0.00 C ATOM 850 O GLY A 59 67.075 118.573 73.954 1.00 0.00 O ATOM 0 H GLY A 59 66.397 119.283 70.148 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.872 118.083 71.554 1.00 0.00 H new ATOM 0 HA3 GLY A 59 68.821 119.526 71.849 1.00 0.00 H new ATOM 854 N ARG A 60 66.342 120.498 73.170 1.00 49.10 N ATOM 855 CA ARG A 60 65.580 120.769 74.431 1.00 50.05 C ATOM 856 C ARG A 60 64.495 119.706 74.614 1.00 49.79 C ATOM 857 O ARG A 60 63.867 119.283 73.660 1.00 48.27 O ATOM 858 CB ARG A 60 64.951 122.157 74.239 1.00 52.38 C ATOM 859 CG ARG A 60 65.672 123.188 75.122 1.00 55.08 C ATOM 860 CD ARG A 60 66.511 124.127 74.246 1.00 57.97 C ATOM 861 NE ARG A 60 65.535 124.791 73.334 1.00 60.72 N ATOM 862 CZ ARG A 60 65.956 125.642 72.438 1.00 61.65 C ATOM 863 NH1 ARG A 60 66.864 126.526 72.751 1.00 62.78 N ATOM 864 NH2 ARG A 60 65.467 125.610 71.228 1.00 61.80 N ATOM 0 H ARG A 60 66.271 121.221 72.454 1.00 49.10 H new ATOM 0 HA ARG A 60 66.217 120.740 75.315 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.017 122.453 73.192 1.00 52.38 H new ATOM 0 HB3 ARG A 60 63.892 122.124 74.495 1.00 52.38 H new ATOM 0 HG2 ARG A 60 64.944 123.763 75.694 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.312 122.679 75.842 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.044 124.859 74.853 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.262 123.573 73.683 1.00 57.97 H new ATOM 0 HE ARG A 60 64.540 124.580 73.410 1.00 60.72 H new ATOM 0 HH11 ARG A 60 67.245 126.552 73.697 1.00 62.78 H new ATOM 0 HH12 ARG A 60 67.192 127.190 72.050 1.00 62.78 H new ATOM 0 HH21 ARG A 60 64.756 124.920 70.983 1.00 61.80 H new ATOM 0 HH22 ARG A 60 65.795 126.275 70.527 1.00 61.80 H new ATOM 878 N THR A 61 64.271 119.267 75.830 1.00 0.00 N ATOM 879 CA THR A 61 63.227 118.223 76.062 1.00 0.00 C ATOM 880 C THR A 61 62.368 118.576 77.280 1.00 0.00 C ATOM 881 O THR A 61 62.810 119.260 78.184 1.00 0.00 O ATOM 882 CB THR A 61 64.001 116.920 76.296 1.00 0.00 C ATOM 883 OG1 THR A 61 63.084 115.864 76.546 1.00 0.00 O ATOM 884 CG2 THR A 61 64.940 117.076 77.497 1.00 0.00 C ATOM 0 H THR A 61 64.763 119.585 76.665 1.00 0.00 H new ATOM 0 HA THR A 61 62.543 118.139 75.218 1.00 0.00 H new ATOM 0 HB THR A 61 64.592 116.691 75.409 1.00 0.00 H new ATOM 0 HG1 THR A 61 62.197 116.115 76.212 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.485 116.146 77.656 1.00 0.00 H new ATOM 0 HG22 THR A 61 65.647 117.883 77.304 1.00 0.00 H new ATOM 0 HG23 THR A 61 64.356 117.311 78.387 1.00 0.00 H new ATOM 892 N GLU A 62 61.145 118.112 77.308 1.00 0.00 N ATOM 893 CA GLU A 62 60.248 118.414 78.463 1.00 0.00 C ATOM 894 C GLU A 62 59.794 117.107 79.121 1.00 0.00 C ATOM 895 O GLU A 62 59.234 116.237 78.479 1.00 0.00 O ATOM 896 CB GLU A 62 59.056 119.157 77.856 1.00 0.00 C ATOM 897 CG GLU A 62 58.081 119.559 78.969 1.00 0.00 C ATOM 898 CD GLU A 62 56.880 120.305 78.373 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.001 120.812 77.267 1.00 0.00 O ATOM 900 OE2 GLU A 62 55.860 120.364 79.040 1.00 0.00 O ATOM 0 H GLU A 62 60.728 117.535 76.578 1.00 0.00 H new ATOM 0 HA GLU A 62 60.742 119.007 79.233 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.400 120.043 77.322 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.551 118.522 77.128 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.740 118.672 79.502 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.588 120.193 79.696 1.00 0.00 H new ATOM 907 N GLN A 63 60.049 116.963 80.396 1.00 0.00 N ATOM 908 CA GLN A 63 59.653 115.714 81.110 1.00 0.00 C ATOM 909 C GLN A 63 58.345 115.918 81.879 1.00 0.00 C ATOM 910 O GLN A 63 58.145 116.931 82.525 1.00 0.00 O ATOM 911 CB GLN A 63 60.802 115.458 82.086 1.00 0.00 C ATOM 912 CG GLN A 63 60.665 114.056 82.680 1.00 0.00 C ATOM 913 CD GLN A 63 61.814 113.800 83.656 1.00 0.00 C ATOM 914 OE1 GLN A 63 62.090 114.615 84.515 1.00 0.00 O ATOM 915 NE2 GLN A 63 62.500 112.694 83.562 1.00 0.00 N ATOM 0 H GLN A 63 60.517 117.660 80.975 1.00 0.00 H new ATOM 0 HA GLN A 63 59.485 114.883 80.425 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.758 115.555 81.572 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.791 116.204 82.881 1.00 0.00 H new ATOM 0 HG2 GLN A 63 59.709 113.959 83.194 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.676 113.310 81.885 1.00 0.00 H new ATOM 0 HE21 GLN A 63 62.269 112.010 82.841 1.00 0.00 H new ATOM 0 HE22 GLN A 63 63.268 112.513 84.209 1.00 0.00 H new ATOM 924 N VAL A 64 57.454 114.962 81.809 1.00 37.94 N ATOM 925 CA VAL A 64 56.150 115.091 82.529 1.00 37.05 C ATOM 926 C VAL A 64 55.871 113.830 83.358 1.00 36.89 C ATOM 927 O VAL A 64 55.988 112.716 82.885 1.00 36.32 O ATOM 928 CB VAL A 64 55.096 115.276 81.433 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.709 115.421 82.067 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.414 116.537 80.625 1.00 35.74 C ATOM 0 H VAL A 64 57.573 114.096 81.283 1.00 37.94 H new ATOM 0 HA VAL A 64 56.148 115.928 83.227 1.00 37.05 H new ATOM 0 HB VAL A 64 55.106 114.406 80.777 1.00 36.50 H new ATOM 0 HG11 VAL A 64 52.963 115.552 81.283 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.477 114.525 82.643 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.699 116.289 82.726 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.664 116.668 79.845 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.406 117.404 81.286 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.399 116.438 80.168 1.00 35.74 H new ATOM 940 N ASP A 65 55.506 114.020 84.599 1.00 0.00 N ATOM 941 CA ASP A 65 55.214 112.868 85.504 1.00 0.00 C ATOM 942 C ASP A 65 53.828 113.035 86.137 1.00 0.00 C ATOM 943 O ASP A 65 53.525 114.059 86.720 1.00 0.00 O ATOM 944 CB ASP A 65 56.311 112.914 86.576 1.00 0.00 C ATOM 945 CG ASP A 65 56.269 114.255 87.318 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.431 115.275 86.668 1.00 0.00 O ATOM 947 OD2 ASP A 65 56.076 114.239 88.522 1.00 0.00 O ATOM 0 H ASP A 65 55.396 114.938 85.030 1.00 0.00 H new ATOM 0 HA ASP A 65 55.208 111.915 84.975 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.175 112.095 87.282 1.00 0.00 H new ATOM 0 HB3 ASP A 65 57.288 112.776 86.113 1.00 0.00 H new ATOM 952 N GLY A 66 52.989 112.035 86.031 1.00 31.82 N ATOM 953 CA GLY A 66 51.623 112.128 86.629 1.00 29.07 C ATOM 954 C GLY A 66 51.112 110.721 86.944 1.00 27.67 C ATOM 955 O GLY A 66 51.732 109.737 86.590 1.00 27.18 O ATOM 0 H GLY A 66 53.192 111.156 85.555 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.652 112.729 87.538 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.944 112.628 85.938 1.00 29.07 H new ATOM 959 N GLU A 67 49.989 110.617 87.610 1.00 0.00 N ATOM 960 CA GLU A 67 49.434 109.271 87.948 1.00 0.00 C ATOM 961 C GLU A 67 48.095 109.060 87.235 1.00 0.00 C ATOM 962 O GLU A 67 47.437 110.006 86.851 1.00 0.00 O ATOM 963 CB GLU A 67 49.236 109.293 89.464 1.00 0.00 C ATOM 964 CG GLU A 67 50.600 109.287 90.159 1.00 0.00 C ATOM 965 CD GLU A 67 51.158 110.711 90.204 1.00 0.00 C ATOM 966 OE1 GLU A 67 50.369 111.632 90.342 1.00 0.00 O ATOM 967 OE2 GLU A 67 52.365 110.857 90.101 1.00 0.00 O ATOM 0 H GLU A 67 49.432 111.408 87.935 1.00 0.00 H new ATOM 0 HA GLU A 67 50.093 108.461 87.636 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.672 110.179 89.755 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.653 108.427 89.778 1.00 0.00 H new ATOM 0 HG2 GLU A 67 50.503 108.891 91.170 1.00 0.00 H new ATOM 0 HG3 GLU A 67 51.289 108.632 89.625 1.00 0.00 H new ATOM 974 N GLY A 68 47.678 107.826 87.074 1.00 22.62 N ATOM 975 CA GLY A 68 46.366 107.533 86.407 1.00 22.36 C ATOM 976 C GLY A 68 46.230 108.286 85.076 1.00 20.38 C ATOM 977 O GLY A 68 45.848 109.440 85.048 1.00 21.93 O ATOM 0 H GLY A 68 48.195 107.001 87.379 1.00 22.62 H new ATOM 0 HA2 GLY A 68 46.278 106.461 86.230 1.00 22.36 H new ATOM 0 HA3 GLY A 68 45.548 107.815 87.071 1.00 22.36 H new ATOM 981 N VAL A 69 46.537 107.640 83.972 1.00 17.51 N ATOM 982 CA VAL A 69 46.427 108.304 82.622 1.00 15.40 C ATOM 983 C VAL A 69 45.107 109.070 82.476 1.00 17.02 C ATOM 984 O VAL A 69 44.049 108.584 82.813 1.00 17.35 O ATOM 985 CB VAL A 69 46.491 107.169 81.589 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.879 106.527 81.616 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.425 106.108 81.890 1.00 8.21 C ATOM 0 H VAL A 69 46.862 106.674 83.945 1.00 17.51 H new ATOM 0 HA VAL A 69 47.227 109.032 82.486 1.00 15.40 H new ATOM 0 HB VAL A 69 46.300 107.585 80.600 1.00 12.26 H new ATOM 0 HG11 VAL A 69 47.922 105.722 80.882 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.632 107.278 81.376 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.074 106.123 82.609 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.485 105.312 81.148 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.595 105.693 82.883 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.436 106.565 81.853 1.00 8.21 H new ATOM 997 N VAL A 70 45.201 110.285 81.989 1.00 17.68 N ATOM 998 CA VAL A 70 44.007 111.182 81.800 1.00 16.81 C ATOM 999 C VAL A 70 43.039 111.091 82.998 1.00 17.08 C ATOM 1000 O VAL A 70 41.836 111.188 82.854 1.00 16.77 O ATOM 1001 CB VAL A 70 43.340 110.775 80.468 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.380 110.764 79.342 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.696 109.393 80.582 1.00 20.55 C ATOM 0 H VAL A 70 46.084 110.708 81.704 1.00 17.68 H new ATOM 0 HA VAL A 70 44.310 112.228 81.755 1.00 16.81 H new ATOM 0 HB VAL A 70 42.563 111.505 80.240 1.00 18.60 H new ATOM 0 HG11 VAL A 70 43.900 110.476 78.407 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.813 111.759 79.237 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.168 110.049 79.581 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.233 109.128 79.632 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.459 108.656 80.832 1.00 20.55 H new ATOM 0 HG23 VAL A 70 41.937 109.409 81.364 1.00 20.55 H new ATOM 1013 N GLY A 71 43.582 110.941 84.181 1.00 17.30 N ATOM 1014 CA GLY A 71 42.742 110.882 85.416 1.00 16.44 C ATOM 1015 C GLY A 71 42.181 109.475 85.676 1.00 18.03 C ATOM 1016 O GLY A 71 41.201 109.333 86.386 1.00 18.29 O ATOM 0 H GLY A 71 44.585 110.856 84.345 1.00 17.30 H new ATOM 0 HA2 GLY A 71 43.338 111.197 86.273 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.917 111.588 85.325 1.00 16.44 H new ATOM 1020 N GLU A 72 42.777 108.439 85.132 1.00 0.00 N ATOM 1021 CA GLU A 72 42.232 107.065 85.396 1.00 0.00 C ATOM 1022 C GLU A 72 43.335 105.998 85.459 1.00 0.00 C ATOM 1023 O GLU A 72 44.387 106.115 84.854 1.00 0.00 O ATOM 1024 CB GLU A 72 41.258 106.764 84.251 1.00 0.00 C ATOM 1025 CG GLU A 72 41.988 106.787 82.910 1.00 0.00 C ATOM 1026 CD GLU A 72 41.267 105.868 81.923 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.240 106.276 81.408 1.00 0.00 O ATOM 1028 OE2 GLU A 72 41.753 104.771 81.701 1.00 0.00 O ATOM 0 H GLU A 72 43.599 108.480 84.530 1.00 0.00 H new ATOM 0 HA GLU A 72 41.740 107.038 86.368 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.797 105.788 84.404 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.454 107.499 84.247 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.021 107.804 82.519 1.00 0.00 H new ATOM 0 HG3 GLU A 72 43.020 106.461 83.040 1.00 0.00 H new ATOM 1035 N GLN A 73 43.064 104.953 86.193 1.00 13.09 N ATOM 1036 CA GLN A 73 44.024 103.821 86.340 1.00 15.45 C ATOM 1037 C GLN A 73 43.361 102.546 85.791 1.00 15.30 C ATOM 1038 O GLN A 73 42.946 101.688 86.547 1.00 16.40 O ATOM 1039 CB GLN A 73 44.248 103.699 87.849 1.00 18.12 C ATOM 1040 CG GLN A 73 45.071 104.893 88.339 1.00 18.21 C ATOM 1041 CD GLN A 73 45.071 104.919 89.869 1.00 16.98 C ATOM 1042 OE1 GLN A 73 45.727 104.115 90.502 1.00 18.14 O ATOM 1043 NE2 GLN A 73 44.359 105.817 90.495 1.00 14.04 N ATOM 0 H GLN A 73 42.193 104.834 86.711 1.00 13.09 H new ATOM 0 HA GLN A 73 44.961 103.972 85.804 1.00 15.45 H new ATOM 0 HB2 GLN A 73 43.290 103.666 88.368 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.767 102.768 88.077 1.00 18.12 H new ATOM 0 HG2 GLN A 73 46.093 104.822 87.966 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.653 105.821 87.949 1.00 18.21 H new ATOM 0 HE21 GLN A 73 43.808 106.492 89.964 1.00 14.04 H new ATOM 0 HE22 GLN A 73 44.354 105.844 91.515 1.00 14.04 H new ATOM 1052 N PRO A 74 43.252 102.482 84.481 1.00 15.25 N ATOM 1053 CA PRO A 74 42.583 101.295 83.864 1.00 16.63 C ATOM 1054 C PRO A 74 43.222 99.972 84.306 1.00 17.41 C ATOM 1055 O PRO A 74 44.429 99.845 84.390 1.00 17.61 O ATOM 1056 CB PRO A 74 42.775 101.500 82.364 1.00 16.18 C ATOM 1057 CG PRO A 74 43.985 102.359 82.246 1.00 16.38 C ATOM 1058 CD PRO A 74 44.002 103.243 83.462 1.00 13.89 C ATOM 0 HA PRO A 74 41.537 101.226 84.162 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.914 100.549 81.850 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.905 101.980 81.916 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.889 101.751 82.196 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.950 102.955 81.334 1.00 16.38 H new ATOM 0 HD2 PRO A 74 45.021 103.448 83.790 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.532 104.206 83.260 1.00 13.89 H new ATOM 1066 N TRP A 75 42.402 98.983 84.558 1.00 0.00 N ATOM 1067 CA TRP A 75 42.915 97.642 84.969 1.00 0.00 C ATOM 1068 C TRP A 75 42.914 96.726 83.744 1.00 0.00 C ATOM 1069 O TRP A 75 42.051 95.884 83.585 1.00 0.00 O ATOM 1070 CB TRP A 75 41.917 97.145 86.017 1.00 0.00 C ATOM 1071 CG TRP A 75 42.566 96.119 86.891 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.437 96.390 87.890 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.409 94.671 86.866 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.827 95.200 88.478 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.221 94.113 87.882 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.651 93.796 86.068 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.278 92.735 88.099 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.706 92.409 86.284 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.518 91.880 87.297 1.00 0.00 C ATOM 0 H TRP A 75 41.386 99.050 84.495 1.00 0.00 H new ATOM 0 HA TRP A 75 43.929 97.668 85.367 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.565 97.981 86.622 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.043 96.717 85.526 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.773 97.374 88.181 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.482 95.134 89.257 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.023 94.193 85.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 43.905 92.333 88.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.119 91.746 85.666 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.556 90.813 87.457 1.00 0.00 H new ATOM 1090 N LEU A 76 43.859 96.915 82.862 1.00 18.07 N ATOM 1091 CA LEU A 76 43.911 96.093 81.615 1.00 17.96 C ATOM 1092 C LEU A 76 44.077 94.604 81.915 1.00 19.47 C ATOM 1093 O LEU A 76 45.060 94.179 82.492 1.00 20.57 O ATOM 1094 CB LEU A 76 45.122 96.610 80.841 1.00 16.79 C ATOM 1095 CG LEU A 76 44.690 97.742 79.909 1.00 17.27 C ATOM 1096 CD1 LEU A 76 45.923 98.335 79.229 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.738 97.194 78.842 1.00 15.14 C ATOM 0 H LEU A 76 44.602 97.608 82.951 1.00 18.07 H new ATOM 0 HA LEU A 76 42.982 96.185 81.053 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.884 96.967 81.534 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.570 95.801 80.264 1.00 16.79 H new ATOM 0 HG LEU A 76 44.182 98.514 80.487 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.618 99.143 78.563 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.603 98.725 79.986 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.428 97.560 78.652 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.431 98.002 78.178 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.246 96.422 78.263 1.00 15.14 H new ATOM 0 HD23 LEU A 76 42.859 96.767 79.324 1.00 15.14 H new ATOM 1109 N ARG A 77 43.130 93.808 81.491 1.00 0.00 N ATOM 1110 CA ARG A 77 43.222 92.336 81.703 1.00 0.00 C ATOM 1111 C ARG A 77 44.017 91.726 80.543 1.00 0.00 C ATOM 1112 O ARG A 77 44.105 92.325 79.488 1.00 0.00 O ATOM 1113 CB ARG A 77 41.775 91.841 81.687 1.00 0.00 C ATOM 1114 CG ARG A 77 41.113 92.156 83.029 1.00 0.00 C ATOM 1115 CD ARG A 77 40.037 91.109 83.327 1.00 0.00 C ATOM 1116 NE ARG A 77 39.032 91.270 82.239 1.00 0.00 N ATOM 1117 CZ ARG A 77 37.806 90.860 82.418 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.154 91.201 83.495 1.00 0.00 N ATOM 1119 NH2 ARG A 77 37.233 90.108 81.519 1.00 0.00 N ATOM 0 H ARG A 77 42.290 94.119 81.003 1.00 0.00 H new ATOM 0 HA ARG A 77 43.722 92.064 82.633 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.225 92.320 80.877 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.749 90.768 81.500 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.860 92.161 83.823 1.00 0.00 H new ATOM 0 HG3 ARG A 77 40.669 93.151 83.003 1.00 0.00 H new ATOM 0 HD2 ARG A 77 40.456 90.103 83.332 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.588 91.272 84.307 1.00 0.00 H new ATOM 0 HE ARG A 77 39.302 91.700 81.355 1.00 0.00 H new ATOM 0 HH11 ARG A 77 37.602 91.789 84.198 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.196 90.880 83.634 1.00 0.00 H new ATOM 0 HH21 ARG A 77 37.743 89.841 80.677 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.275 89.787 81.658 1.00 0.00 H new ATOM 1133 N PRO A 78 44.581 90.557 80.764 1.00 23.86 N ATOM 1134 CA PRO A 78 45.374 89.930 79.660 1.00 24.22 C ATOM 1135 C PRO A 78 44.543 89.828 78.371 1.00 24.36 C ATOM 1136 O PRO A 78 43.438 89.319 78.365 1.00 22.27 O ATOM 1137 CB PRO A 78 45.740 88.550 80.195 1.00 25.39 C ATOM 1138 CG PRO A 78 44.692 88.249 81.210 1.00 27.04 C ATOM 1139 CD PRO A 78 44.288 89.567 81.817 1.00 25.13 C ATOM 0 HA PRO A 78 46.254 90.516 79.395 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.746 87.805 79.399 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.735 88.549 80.640 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.836 87.757 80.749 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.075 87.572 81.974 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.232 89.574 82.087 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.851 89.775 82.727 1.00 25.13 H new ATOM 1147 N GLY A 79 45.086 90.312 77.283 1.00 24.74 N ATOM 1148 CA GLY A 79 44.359 90.257 75.980 1.00 23.79 C ATOM 1149 C GLY A 79 43.496 91.516 75.783 1.00 23.44 C ATOM 1150 O GLY A 79 43.075 91.810 74.681 1.00 22.44 O ATOM 0 H GLY A 79 46.008 90.746 77.242 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.075 90.169 75.162 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.728 89.369 75.948 1.00 23.79 H new ATOM 1154 N GLU A 80 43.234 92.263 76.832 1.00 23.31 N ATOM 1155 CA GLU A 80 42.403 93.501 76.686 1.00 21.90 C ATOM 1156 C GLU A 80 43.287 94.704 76.339 1.00 20.95 C ATOM 1157 O GLU A 80 44.495 94.658 76.478 1.00 19.52 O ATOM 1158 CB GLU A 80 41.734 93.699 78.047 1.00 23.06 C ATOM 1159 CG GLU A 80 40.391 94.408 77.862 1.00 23.88 C ATOM 1160 CD GLU A 80 39.434 93.500 77.087 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.502 92.297 77.282 1.00 29.38 O ATOM 1162 OE2 GLU A 80 38.649 94.022 76.313 1.00 25.91 O ATOM 0 H GLU A 80 43.559 92.069 77.779 1.00 23.31 H new ATOM 0 HA GLU A 80 41.671 93.408 75.884 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.584 92.735 78.533 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.380 94.287 78.699 1.00 23.06 H new ATOM 0 HG2 GLU A 80 39.964 94.659 78.833 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.534 95.346 77.325 1.00 23.88 H new ATOM 1169 N ALA A 81 42.689 95.777 75.883 1.00 0.00 N ATOM 1170 CA ALA A 81 43.480 96.991 75.517 1.00 0.00 C ATOM 1171 C ALA A 81 42.674 98.259 75.826 1.00 0.00 C ATOM 1172 O ALA A 81 41.459 98.263 75.757 1.00 0.00 O ATOM 1173 CB ALA A 81 43.734 96.863 74.015 1.00 0.00 C ATOM 0 H ALA A 81 41.682 95.864 75.748 1.00 0.00 H new ATOM 0 HA ALA A 81 44.411 97.064 76.079 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.312 97.720 73.669 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.290 95.947 73.817 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.781 96.830 73.486 1.00 0.00 H new ATOM 1179 N PHE A 82 43.344 99.336 76.149 1.00 18.56 N ATOM 1180 CA PHE A 82 42.631 100.615 76.446 1.00 17.00 C ATOM 1181 C PHE A 82 43.070 101.682 75.437 1.00 16.61 C ATOM 1182 O PHE A 82 44.199 101.674 74.982 1.00 15.77 O ATOM 1183 CB PHE A 82 43.066 100.993 77.866 1.00 13.41 C ATOM 1184 CG PHE A 82 42.397 102.286 78.274 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.151 102.255 78.910 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.019 103.513 78.013 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.527 103.451 79.287 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.395 104.708 78.390 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.149 104.677 79.026 1.00 9.06 C ATOM 0 H PHE A 82 44.360 99.384 76.220 1.00 18.56 H new ATOM 0 HA PHE A 82 41.547 100.525 76.374 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.799 100.198 78.563 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.150 101.103 77.908 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.670 101.309 79.110 1.00 10.24 H new ATOM 0 HD2 PHE A 82 43.980 103.537 77.521 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.566 103.427 79.779 1.00 10.01 H new ATOM 0 HE2 PHE A 82 42.875 105.654 78.190 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.667 105.599 79.315 1.00 9.06 H new ATOM 1199 N HIS A 83 42.199 102.594 75.076 1.00 0.00 N ATOM 1200 CA HIS A 83 42.593 103.646 74.086 1.00 0.00 C ATOM 1201 C HIS A 83 41.950 104.997 74.429 1.00 0.00 C ATOM 1202 O HIS A 83 40.797 105.071 74.804 1.00 0.00 O ATOM 1203 CB HIS A 83 42.088 103.133 72.731 1.00 0.00 C ATOM 1204 CG HIS A 83 40.595 102.928 72.777 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.700 103.966 72.569 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.828 101.812 73.004 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.459 103.457 72.676 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.480 102.149 72.941 1.00 0.00 N ATOM 0 H HIS A 83 41.241 102.656 75.420 1.00 0.00 H new ATOM 0 HA HIS A 83 43.670 103.813 74.084 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.341 103.846 71.946 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.584 102.195 72.481 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.213 100.822 73.202 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.555 104.037 72.561 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.680 101.530 73.070 1.00 0.00 H new ATOM 1216 N TYR A 84 42.693 106.066 74.277 1.00 21.96 N ATOM 1217 CA TYR A 84 42.141 107.425 74.562 1.00 22.81 C ATOM 1218 C TYR A 84 42.846 108.466 73.680 1.00 25.11 C ATOM 1219 O TYR A 84 43.923 108.224 73.167 1.00 26.65 O ATOM 1220 CB TYR A 84 42.398 107.671 76.058 1.00 19.35 C ATOM 1221 CG TYR A 84 43.881 107.746 76.348 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.599 106.577 76.625 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.533 108.984 76.351 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.968 106.645 76.905 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.904 109.053 76.631 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.620 107.883 76.908 1.00 12.19 C ATOM 1227 OH TYR A 84 47.971 107.950 77.185 1.00 13.46 O ATOM 0 H TYR A 84 43.664 106.054 73.966 1.00 21.96 H new ATOM 0 HA TYR A 84 41.077 107.502 74.340 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.916 108.599 76.366 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.949 106.869 76.644 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.096 105.621 76.623 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.979 109.886 76.137 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.521 105.742 77.119 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.408 110.008 76.633 1.00 14.00 H new ATOM 0 HH TYR A 84 48.267 108.883 77.145 1.00 13.46 H new ATOM 1237 N THR A 85 42.242 109.613 73.489 1.00 26.58 N ATOM 1238 CA THR A 85 42.873 110.660 72.626 1.00 26.99 C ATOM 1239 C THR A 85 43.522 111.755 73.480 1.00 28.14 C ATOM 1240 O THR A 85 42.955 112.216 74.452 1.00 27.02 O ATOM 1241 CB THR A 85 41.724 111.237 71.798 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.074 110.186 71.097 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.272 112.258 70.800 1.00 21.76 C ATOM 0 H THR A 85 41.341 109.869 73.892 1.00 26.58 H new ATOM 0 HA THR A 85 43.664 110.246 72.001 1.00 26.99 H new ATOM 0 HB THR A 85 41.011 111.729 72.459 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.336 110.554 70.567 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.451 112.668 70.211 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.769 113.064 71.340 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.987 111.771 70.137 1.00 21.76 H new ATOM 1251 N SER A 86 44.708 112.174 73.112 1.00 29.06 N ATOM 1252 CA SER A 86 45.409 113.242 73.888 1.00 29.05 C ATOM 1253 C SER A 86 45.791 114.400 72.956 1.00 29.43 C ATOM 1254 O SER A 86 45.692 114.281 71.745 1.00 29.12 O ATOM 1255 CB SER A 86 46.661 112.569 74.435 1.00 29.12 C ATOM 1256 OG SER A 86 47.519 113.561 74.980 1.00 33.88 O ATOM 0 H SER A 86 45.222 111.821 72.305 1.00 29.06 H new ATOM 0 HA SER A 86 44.787 113.657 74.681 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.393 111.841 75.201 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.172 112.024 73.642 1.00 29.12 H new ATOM 0 HG SER A 86 48.360 113.578 74.477 1.00 33.88 H new ATOM 1262 N GLY A 87 46.240 115.511 73.496 1.00 29.08 N ATOM 1263 CA GLY A 87 46.628 116.659 72.621 1.00 29.89 C ATOM 1264 C GLY A 87 47.892 117.341 73.159 1.00 31.80 C ATOM 1265 O GLY A 87 47.950 117.758 74.299 1.00 31.40 O ATOM 0 H GLY A 87 46.353 115.669 74.497 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.803 116.306 71.604 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.811 117.379 72.573 1.00 29.89 H new ATOM 1269 N VAL A 88 48.900 117.464 72.331 1.00 0.00 N ATOM 1270 CA VAL A 88 50.171 118.130 72.760 1.00 0.00 C ATOM 1271 C VAL A 88 50.565 119.189 71.720 1.00 0.00 C ATOM 1272 O VAL A 88 50.227 119.082 70.555 1.00 0.00 O ATOM 1273 CB VAL A 88 51.216 117.005 72.834 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.611 117.591 73.093 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.860 116.056 73.979 1.00 0.00 C ATOM 0 H VAL A 88 48.897 117.129 71.368 1.00 0.00 H new ATOM 0 HA VAL A 88 50.079 118.640 73.719 1.00 0.00 H new ATOM 0 HB VAL A 88 51.220 116.467 71.886 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.341 116.783 73.143 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.876 118.270 72.283 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.607 118.136 74.037 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.600 115.257 74.033 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.852 116.607 74.919 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.874 115.626 73.802 1.00 0.00 H new ATOM 1285 N LEU A 89 51.266 120.211 72.140 1.00 0.00 N ATOM 1286 CA LEU A 89 51.676 121.287 71.186 1.00 0.00 C ATOM 1287 C LEU A 89 53.192 121.260 70.957 1.00 0.00 C ATOM 1288 O LEU A 89 53.960 120.999 71.865 1.00 0.00 O ATOM 1289 CB LEU A 89 51.259 122.591 71.871 1.00 0.00 C ATOM 1290 CG LEU A 89 51.263 123.731 70.853 1.00 0.00 C ATOM 1291 CD1 LEU A 89 50.250 124.797 71.277 1.00 0.00 C ATOM 1292 CD2 LEU A 89 52.659 124.354 70.790 1.00 0.00 C ATOM 0 H LEU A 89 51.573 120.348 73.103 1.00 0.00 H new ATOM 0 HA LEU A 89 51.213 121.167 70.206 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.266 122.483 72.307 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.943 122.818 72.689 1.00 0.00 H new ATOM 0 HG LEU A 89 50.993 123.342 69.871 1.00 0.00 H new ATOM 0 HD11 LEU A 89 50.252 125.610 70.551 1.00 0.00 H new ATOM 0 HD12 LEU A 89 49.255 124.355 71.323 1.00 0.00 H new ATOM 0 HD13 LEU A 89 50.520 125.186 72.259 1.00 0.00 H new ATOM 0 HD21 LEU A 89 52.662 125.167 70.064 1.00 0.00 H new ATOM 0 HD22 LEU A 89 52.928 124.743 71.772 1.00 0.00 H new ATOM 0 HD23 LEU A 89 53.382 123.596 70.489 1.00 0.00 H new ATOM 1304 N LEU A 90 53.623 121.527 69.750 1.00 37.85 N ATOM 1305 CA LEU A 90 55.089 121.519 69.452 1.00 36.74 C ATOM 1306 C LEU A 90 55.519 122.887 68.915 1.00 35.30 C ATOM 1307 O LEU A 90 54.770 123.548 68.220 1.00 35.10 O ATOM 1308 CB LEU A 90 55.275 120.439 68.383 1.00 38.41 C ATOM 1309 CG LEU A 90 55.011 119.059 68.993 1.00 38.68 C ATOM 1310 CD1 LEU A 90 55.085 117.990 67.898 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.065 118.764 70.065 1.00 38.08 C ATOM 0 H LEU A 90 53.022 121.751 68.956 1.00 37.85 H new ATOM 0 HA LEU A 90 55.691 121.317 70.338 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.594 120.616 67.551 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.287 120.482 67.981 1.00 38.41 H new ATOM 0 HG LEU A 90 54.019 119.047 69.444 1.00 38.68 H new ATOM 0 HD11 LEU A 90 54.897 117.009 68.334 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.335 118.198 67.135 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.076 118.002 67.445 1.00 37.80 H new ATOM 0 HD21 LEU A 90 55.877 117.782 70.499 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.057 118.778 69.613 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.012 119.522 70.846 1.00 38.08 H new ATOM 1323 N GLU A 91 56.712 123.325 69.235 1.00 0.00 N ATOM 1324 CA GLU A 91 57.182 124.659 68.747 1.00 0.00 C ATOM 1325 C GLU A 91 57.652 124.575 67.289 1.00 0.00 C ATOM 1326 O GLU A 91 57.621 125.556 66.569 1.00 0.00 O ATOM 1327 CB GLU A 91 58.349 125.030 69.662 1.00 0.00 C ATOM 1328 CG GLU A 91 58.701 126.507 69.470 1.00 0.00 C ATOM 1329 CD GLU A 91 57.560 127.379 69.999 1.00 0.00 C ATOM 1330 OE1 GLU A 91 56.933 126.980 70.967 1.00 0.00 O ATOM 1331 OE2 GLU A 91 57.334 128.434 69.428 1.00 0.00 O ATOM 0 H GLU A 91 57.381 122.816 69.813 1.00 0.00 H new ATOM 0 HA GLU A 91 56.385 125.402 68.774 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.083 124.841 70.702 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.214 124.407 69.436 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.626 126.742 69.996 1.00 0.00 H new ATOM 0 HG3 GLU A 91 58.873 126.716 68.414 1.00 0.00 H new ATOM 1338 N THR A 92 58.096 123.422 66.852 1.00 31.63 N ATOM 1339 CA THR A 92 58.575 123.291 65.440 1.00 28.98 C ATOM 1340 C THR A 92 57.823 122.171 64.714 1.00 28.33 C ATOM 1341 O THR A 92 57.056 121.438 65.309 1.00 29.20 O ATOM 1342 CB THR A 92 60.064 122.956 65.551 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.223 121.758 66.298 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.796 124.100 66.255 1.00 25.50 C ATOM 0 H THR A 92 58.148 122.569 67.409 1.00 31.63 H new ATOM 0 HA THR A 92 58.404 124.202 64.867 1.00 28.98 H new ATOM 0 HB THR A 92 60.482 122.821 64.553 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.305 121.975 67.250 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.856 123.860 66.333 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.673 125.018 65.681 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.381 124.238 67.253 1.00 25.50 H new ATOM 1352 N GLU A 93 58.031 122.048 63.426 1.00 0.00 N ATOM 1353 CA GLU A 93 57.324 120.992 62.639 1.00 0.00 C ATOM 1354 C GLU A 93 58.084 119.660 62.672 1.00 0.00 C ATOM 1355 O GLU A 93 57.779 118.756 61.916 1.00 0.00 O ATOM 1356 CB GLU A 93 57.284 121.533 61.209 1.00 0.00 C ATOM 1357 CG GLU A 93 56.422 122.794 61.162 1.00 0.00 C ATOM 1358 CD GLU A 93 56.382 123.333 59.730 1.00 0.00 C ATOM 1359 OE1 GLU A 93 57.285 124.073 59.372 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.452 122.996 59.017 1.00 0.00 O ATOM 0 H GLU A 93 58.663 122.637 62.884 1.00 0.00 H new ATOM 0 HA GLU A 93 56.333 120.790 63.046 1.00 0.00 H new ATOM 0 HB2 GLU A 93 58.294 121.758 60.866 1.00 0.00 H new ATOM 0 HB3 GLU A 93 56.879 120.778 60.535 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.412 122.570 61.506 1.00 0.00 H new ATOM 0 HG3 GLU A 93 56.827 123.550 61.835 1.00 0.00 H new ATOM 1367 N GLN A 94 59.063 119.519 63.536 1.00 0.00 N ATOM 1368 CA GLN A 94 59.819 118.231 63.600 1.00 0.00 C ATOM 1369 C GLN A 94 60.141 117.891 65.058 1.00 0.00 C ATOM 1370 O GLN A 94 60.398 118.779 65.851 1.00 0.00 O ATOM 1371 CB GLN A 94 61.106 118.481 62.803 1.00 0.00 C ATOM 1372 CG GLN A 94 61.885 119.654 63.412 1.00 0.00 C ATOM 1373 CD GLN A 94 63.164 119.891 62.606 1.00 0.00 C ATOM 1374 OE1 GLN A 94 63.134 119.922 61.392 1.00 0.00 O ATOM 1375 NE2 GLN A 94 64.294 120.060 63.237 1.00 0.00 N ATOM 0 H GLN A 94 59.368 120.236 64.194 1.00 0.00 H new ATOM 0 HA GLN A 94 59.252 117.394 63.193 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.724 117.583 62.806 1.00 0.00 H new ATOM 0 HB3 GLN A 94 60.862 118.697 61.763 1.00 0.00 H new ATOM 0 HG2 GLN A 94 61.269 120.553 63.410 1.00 0.00 H new ATOM 0 HG3 GLN A 94 62.132 119.439 64.452 1.00 0.00 H new ATOM 0 HE21 GLN A 94 64.318 120.034 64.256 1.00 0.00 H new ATOM 0 HE22 GLN A 94 65.153 120.218 62.711 1.00 0.00 H new ATOM 1384 N GLY A 95 60.138 116.630 65.428 1.00 27.89 N ATOM 1385 CA GLY A 95 60.457 116.297 66.852 1.00 28.05 C ATOM 1386 C GLY A 95 60.382 114.793 67.127 1.00 27.70 C ATOM 1387 O GLY A 95 59.741 114.039 66.421 1.00 25.89 O ATOM 0 H GLY A 95 59.934 115.836 64.821 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.457 116.659 67.092 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.762 116.820 67.510 1.00 28.05 H new ATOM 1391 N GLN A 96 61.040 114.372 68.178 1.00 0.00 N ATOM 1392 CA GLN A 96 61.037 112.930 68.570 1.00 0.00 C ATOM 1393 C GLN A 96 60.444 112.788 69.975 1.00 0.00 C ATOM 1394 O GLN A 96 60.846 113.481 70.892 1.00 0.00 O ATOM 1395 CB GLN A 96 62.514 112.512 68.591 1.00 0.00 C ATOM 1396 CG GLN A 96 63.169 112.812 67.240 1.00 0.00 C ATOM 1397 CD GLN A 96 64.217 111.741 66.929 1.00 0.00 C ATOM 1398 OE1 GLN A 96 63.880 110.641 66.538 1.00 0.00 O ATOM 1399 NE2 GLN A 96 65.482 112.018 67.087 1.00 0.00 N ATOM 0 H GLN A 96 61.588 114.977 68.790 1.00 0.00 H new ATOM 0 HA GLN A 96 60.448 112.317 67.887 1.00 0.00 H new ATOM 0 HB2 GLN A 96 63.039 113.045 69.384 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.595 111.448 68.814 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.413 112.834 66.455 1.00 0.00 H new ATOM 0 HG3 GLN A 96 63.636 113.797 67.261 1.00 0.00 H new ATOM 0 HE21 GLN A 96 65.765 112.941 67.415 1.00 0.00 H new ATOM 0 HE22 GLN A 96 66.188 111.311 66.882 1.00 0.00 H new ATOM 1408 N MET A 97 59.489 111.910 70.155 1.00 0.00 N ATOM 1409 CA MET A 97 58.870 111.746 71.507 1.00 0.00 C ATOM 1410 C MET A 97 58.942 110.289 71.975 1.00 0.00 C ATOM 1411 O MET A 97 58.415 109.397 71.338 1.00 0.00 O ATOM 1412 CB MET A 97 57.412 112.175 71.323 1.00 0.00 C ATOM 1413 CG MET A 97 56.679 112.094 72.665 1.00 0.00 C ATOM 1414 SD MET A 97 54.907 112.360 72.407 1.00 0.00 S ATOM 1415 CE MET A 97 54.960 114.165 72.317 1.00 0.00 C ATOM 0 H MET A 97 59.112 111.302 69.428 1.00 0.00 H new ATOM 0 HA MET A 97 59.387 112.337 72.263 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.368 113.192 70.934 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.923 111.532 70.591 1.00 0.00 H new ATOM 0 HG2 MET A 97 56.848 111.120 73.125 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.073 112.843 73.352 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.460 114.588 73.188 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.998 114.498 72.297 1.00 0.00 H new ATOM 0 HE3 MET A 97 54.454 114.499 71.411 1.00 0.00 H new ATOM 1425 N GLN A 98 59.573 110.047 73.096 1.00 0.00 N ATOM 1426 CA GLN A 98 59.671 108.657 73.641 1.00 0.00 C ATOM 1427 C GLN A 98 59.097 108.673 75.058 1.00 0.00 C ATOM 1428 O GLN A 98 59.165 109.690 75.728 1.00 0.00 O ATOM 1429 CB GLN A 98 61.172 108.336 73.687 1.00 0.00 C ATOM 1430 CG GLN A 98 61.806 108.573 72.311 1.00 0.00 C ATOM 1431 CD GLN A 98 63.099 107.760 72.182 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.474 107.034 73.083 1.00 0.00 O ATOM 1433 NE2 GLN A 98 63.803 107.852 71.087 1.00 0.00 N ATOM 0 H GLN A 98 60.030 110.761 73.664 1.00 0.00 H new ATOM 0 HA GLN A 98 59.131 107.922 73.045 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.662 108.960 74.434 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.321 107.300 73.991 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.107 108.287 71.525 1.00 0.00 H new ATOM 0 HG3 GLN A 98 62.019 109.634 72.177 1.00 0.00 H new ATOM 0 HE21 GLN A 98 63.491 108.460 70.330 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.665 107.316 70.988 1.00 0.00 H new ATOM 1442 N GLY A 99 58.525 107.589 75.532 1.00 29.62 N ATOM 1443 CA GLY A 99 57.958 107.632 76.920 1.00 28.62 C ATOM 1444 C GLY A 99 57.772 106.232 77.494 1.00 28.62 C ATOM 1445 O GLY A 99 57.909 105.240 76.807 1.00 29.22 O ATOM 0 H GLY A 99 58.428 106.703 75.036 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.621 108.206 77.567 1.00 28.62 H new ATOM 0 HA3 GLY A 99 56.999 108.150 76.906 1.00 28.62 H new ATOM 1449 N HIS A 100 57.450 106.157 78.762 1.00 0.00 N ATOM 1450 CA HIS A 100 57.234 104.834 79.411 1.00 0.00 C ATOM 1451 C HIS A 100 55.971 104.884 80.277 1.00 0.00 C ATOM 1452 O HIS A 100 55.574 105.933 80.749 1.00 0.00 O ATOM 1453 CB HIS A 100 58.468 104.601 80.288 1.00 0.00 C ATOM 1454 CG HIS A 100 59.654 104.238 79.436 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.285 105.158 78.611 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.342 103.062 79.282 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.303 104.522 78.002 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.383 103.243 78.376 1.00 0.00 N ATOM 0 H HIS A 100 57.328 106.962 79.376 1.00 0.00 H new ATOM 0 HA HIS A 100 57.103 104.035 78.681 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.687 105.500 80.865 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.268 103.804 81.004 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.111 102.136 79.787 1.00 0.00 H new ATOM 0 HE1 HIS A 100 61.974 104.990 77.296 1.00 0.00 H new ATOM 0 HE2 HIS A 100 62.061 102.548 78.065 1.00 0.00 H new ATOM 1466 N TYR A 101 55.343 103.758 80.490 1.00 25.77 N ATOM 1467 CA TYR A 101 54.106 103.728 81.330 1.00 25.79 C ATOM 1468 C TYR A 101 54.329 102.829 82.545 1.00 26.52 C ATOM 1469 O TYR A 101 54.684 101.674 82.398 1.00 27.05 O ATOM 1470 CB TYR A 101 53.014 103.141 80.426 1.00 24.67 C ATOM 1471 CG TYR A 101 52.382 104.221 79.567 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.014 105.457 80.125 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.161 103.980 78.205 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.428 106.442 79.321 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.574 104.967 77.403 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.207 106.196 77.962 1.00 23.58 C ATOM 1477 OH TYR A 101 50.626 107.168 77.173 1.00 25.91 O ATOM 0 H TYR A 101 55.633 102.854 80.118 1.00 25.77 H new ATOM 0 HA TYR A 101 53.834 104.717 81.700 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.442 102.367 79.788 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.249 102.663 81.037 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.183 105.647 81.175 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.444 103.032 77.773 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.146 107.392 79.750 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.405 104.779 76.353 1.00 24.17 H new ATOM 0 HH TYR A 101 49.672 107.236 77.387 1.00 25.91 H new ATOM 1487 N ASP A 102 54.101 103.316 83.740 1.00 0.00 N ATOM 1488 CA ASP A 102 54.279 102.448 84.941 1.00 0.00 C ATOM 1489 C ASP A 102 53.039 101.573 85.122 1.00 0.00 C ATOM 1490 O ASP A 102 51.929 102.056 85.249 1.00 0.00 O ATOM 1491 CB ASP A 102 54.464 103.403 86.122 1.00 0.00 C ATOM 1492 CG ASP A 102 54.865 102.609 87.367 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.424 101.479 87.496 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.607 103.146 88.173 1.00 0.00 O ATOM 0 H ASP A 102 53.801 104.272 83.933 1.00 0.00 H new ATOM 0 HA ASP A 102 55.135 101.779 84.851 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.230 104.143 85.888 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.540 103.949 86.309 1.00 0.00 H new ATOM 1499 N MET A 103 53.238 100.283 85.124 1.00 0.00 N ATOM 1500 CA MET A 103 52.106 99.327 85.284 1.00 0.00 C ATOM 1501 C MET A 103 52.315 98.471 86.533 1.00 0.00 C ATOM 1502 O MET A 103 53.415 98.365 87.047 1.00 0.00 O ATOM 1503 CB MET A 103 52.162 98.449 84.031 1.00 0.00 C ATOM 1504 CG MET A 103 51.951 99.311 82.785 1.00 0.00 C ATOM 1505 SD MET A 103 50.231 99.870 82.720 1.00 0.00 S ATOM 1506 CE MET A 103 49.485 98.262 82.353 1.00 0.00 C ATOM 0 H MET A 103 54.153 99.844 85.020 1.00 0.00 H new ATOM 0 HA MET A 103 51.147 99.833 85.396 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.125 97.941 83.974 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.396 97.675 84.083 1.00 0.00 H new ATOM 0 HG2 MET A 103 52.623 100.169 82.806 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.192 98.739 81.889 1.00 0.00 H new ATOM 0 HE1 MET A 103 48.785 98.366 81.524 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.266 97.552 82.081 1.00 0.00 H new ATOM 0 HE3 MET A 103 48.954 97.898 83.233 1.00 0.00 H new ATOM 1516 N VAL A 104 51.268 97.857 87.023 1.00 21.01 N ATOM 1517 CA VAL A 104 51.402 97.002 88.243 1.00 21.69 C ATOM 1518 C VAL A 104 50.539 95.745 88.109 1.00 22.60 C ATOM 1519 O VAL A 104 49.354 95.821 87.844 1.00 22.32 O ATOM 1520 CB VAL A 104 50.905 97.858 89.421 1.00 22.67 C ATOM 1521 CG1 VAL A 104 51.942 98.935 89.741 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.561 98.520 89.084 1.00 23.28 C ATOM 0 H VAL A 104 50.327 97.910 86.632 1.00 21.01 H new ATOM 0 HA VAL A 104 52.433 96.678 88.388 1.00 21.69 H new ATOM 0 HB VAL A 104 50.764 97.211 90.287 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.591 99.542 90.575 1.00 23.22 H new ATOM 0 HG12 VAL A 104 52.887 98.462 90.009 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.089 99.570 88.867 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.229 99.120 89.931 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.680 99.160 88.210 1.00 23.28 H new ATOM 0 HG23 VAL A 104 48.819 97.750 88.872 1.00 23.28 H new ATOM 1532 N ALA A 105 51.124 94.592 88.308 1.00 0.00 N ATOM 1533 CA ALA A 105 50.340 93.322 88.215 1.00 0.00 C ATOM 1534 C ALA A 105 49.447 93.180 89.447 1.00 0.00 C ATOM 1535 O ALA A 105 49.600 93.902 90.416 1.00 0.00 O ATOM 1536 CB ALA A 105 51.386 92.206 88.178 1.00 0.00 C ATOM 0 H ALA A 105 52.112 94.474 88.531 1.00 0.00 H new ATOM 0 HA ALA A 105 49.693 93.294 87.339 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.885 91.240 88.110 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.032 92.342 87.311 1.00 0.00 H new ATOM 0 HB3 ALA A 105 51.987 92.240 89.087 1.00 0.00 H new ATOM 1542 N ASP A 106 48.513 92.262 89.416 1.00 0.00 N ATOM 1543 CA ASP A 106 47.606 92.086 90.593 1.00 0.00 C ATOM 1544 C ASP A 106 48.410 91.633 91.815 1.00 0.00 C ATOM 1545 O ASP A 106 48.051 91.918 92.942 1.00 0.00 O ATOM 1546 CB ASP A 106 46.608 91.003 90.175 1.00 0.00 C ATOM 1547 CG ASP A 106 45.496 90.902 91.220 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.815 90.905 92.398 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.345 90.822 90.826 1.00 0.00 O ATOM 0 H ASP A 106 48.340 91.631 88.633 1.00 0.00 H new ATOM 0 HA ASP A 106 47.104 93.014 90.867 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.184 91.241 89.200 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.116 90.044 90.076 1.00 0.00 H new ATOM 1554 N ASP A 107 49.488 90.923 91.599 1.00 0.00 N ATOM 1555 CA ASP A 107 50.315 90.439 92.750 1.00 0.00 C ATOM 1556 C ASP A 107 51.107 91.590 93.385 1.00 0.00 C ATOM 1557 O ASP A 107 51.675 91.437 94.450 1.00 0.00 O ATOM 1558 CB ASP A 107 51.269 89.403 92.150 1.00 0.00 C ATOM 1559 CG ASP A 107 50.484 88.153 91.744 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.513 87.843 92.416 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.867 87.527 90.771 1.00 0.00 O ATOM 0 H ASP A 107 49.833 90.657 90.677 1.00 0.00 H new ATOM 0 HA ASP A 107 49.693 90.019 93.541 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.778 89.823 91.282 1.00 0.00 H new ATOM 0 HB3 ASP A 107 52.039 89.141 92.875 1.00 0.00 H new ATOM 1566 N GLY A 108 51.153 92.737 92.749 1.00 30.43 N ATOM 1567 CA GLY A 108 51.911 93.885 93.330 1.00 29.11 C ATOM 1568 C GLY A 108 53.256 94.060 92.613 1.00 29.35 C ATOM 1569 O GLY A 108 53.965 95.019 92.854 1.00 30.17 O ATOM 0 H GLY A 108 50.699 92.925 91.855 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.323 94.799 93.241 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.079 93.716 94.394 1.00 29.11 H new ATOM 1573 N THR A 109 53.623 93.148 91.737 1.00 0.00 N ATOM 1574 CA THR A 109 54.933 93.282 91.018 1.00 0.00 C ATOM 1575 C THR A 109 54.986 94.616 90.263 1.00 0.00 C ATOM 1576 O THR A 109 54.026 95.011 89.629 1.00 0.00 O ATOM 1577 CB THR A 109 54.974 92.110 90.033 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.765 90.894 90.738 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.336 92.072 89.338 1.00 0.00 C ATOM 0 H THR A 109 53.075 92.323 91.491 1.00 0.00 H new ATOM 0 HA THR A 109 55.781 93.266 91.703 1.00 0.00 H new ATOM 0 HB THR A 109 54.191 92.236 89.285 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.584 90.173 90.100 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.364 91.237 88.637 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.495 93.005 88.797 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.121 91.946 90.083 1.00 0.00 H new ATOM 1587 N GLU A 110 56.094 95.313 90.331 1.00 0.00 N ATOM 1588 CA GLU A 110 56.194 96.624 89.621 1.00 0.00 C ATOM 1589 C GLU A 110 56.982 96.481 88.314 1.00 0.00 C ATOM 1590 O GLU A 110 57.962 95.765 88.240 1.00 0.00 O ATOM 1591 CB GLU A 110 56.906 97.571 90.598 1.00 0.00 C ATOM 1592 CG GLU A 110 58.310 97.047 90.925 1.00 0.00 C ATOM 1593 CD GLU A 110 59.099 98.128 91.670 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.870 99.296 91.401 1.00 0.00 O ATOM 1595 OE2 GLU A 110 59.922 97.767 92.496 1.00 0.00 O ATOM 0 H GLU A 110 56.929 95.032 90.845 1.00 0.00 H new ATOM 0 HA GLU A 110 55.212 97.006 89.342 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.975 98.568 90.162 1.00 0.00 H new ATOM 0 HB3 GLU A 110 56.323 97.664 91.514 1.00 0.00 H new ATOM 0 HG2 GLU A 110 58.240 96.147 91.536 1.00 0.00 H new ATOM 0 HG3 GLU A 110 58.829 96.770 90.007 1.00 0.00 H new ATOM 1602 N PHE A 111 56.552 97.166 87.285 1.00 27.41 N ATOM 1603 CA PHE A 111 57.258 97.094 85.970 1.00 27.50 C ATOM 1604 C PHE A 111 56.732 98.192 85.034 1.00 28.03 C ATOM 1605 O PHE A 111 55.575 98.565 85.086 1.00 27.72 O ATOM 1606 CB PHE A 111 56.977 95.682 85.426 1.00 26.12 C ATOM 1607 CG PHE A 111 55.517 95.528 85.056 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.585 95.141 86.026 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.101 95.768 83.741 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.236 94.996 85.680 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.753 95.622 83.396 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.821 95.236 84.365 1.00 23.73 C ATOM 0 H PHE A 111 55.735 97.777 87.300 1.00 27.41 H new ATOM 0 HA PHE A 111 58.332 97.260 86.059 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.600 95.494 84.552 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.247 94.938 86.176 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.906 94.954 87.040 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.821 96.066 82.993 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.516 94.699 86.428 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.432 95.807 82.382 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.781 95.123 84.098 1.00 23.73 H new ATOM 1622 N ILE A 112 57.586 98.717 84.193 1.00 0.00 N ATOM 1623 CA ILE A 112 57.163 99.805 83.260 1.00 0.00 C ATOM 1624 C ILE A 112 56.943 99.266 81.843 1.00 0.00 C ATOM 1625 O ILE A 112 57.465 98.232 81.470 1.00 0.00 O ATOM 1626 CB ILE A 112 58.312 100.822 83.273 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.615 100.155 82.817 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.494 101.369 84.689 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.624 101.231 82.410 1.00 0.00 C ATOM 0 H ILE A 112 58.564 98.437 84.112 1.00 0.00 H new ATOM 0 HA ILE A 112 56.217 100.249 83.571 1.00 0.00 H new ATOM 0 HB ILE A 112 58.070 101.636 82.590 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.024 99.544 83.621 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.420 99.488 81.977 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.310 102.091 84.698 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.574 101.857 85.012 1.00 0.00 H new ATOM 0 HG23 ILE A 112 58.728 100.549 85.368 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.550 100.757 82.086 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.214 101.824 81.592 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.827 101.880 83.262 1.00 0.00 H new ATOM 1641 N ALA A 113 56.192 99.983 81.048 1.00 0.00 N ATOM 1642 CA ALA A 113 55.943 99.558 79.642 1.00 0.00 C ATOM 1643 C ALA A 113 56.485 100.645 78.701 1.00 0.00 C ATOM 1644 O ALA A 113 55.826 101.640 78.463 1.00 0.00 O ATOM 1645 CB ALA A 113 54.425 99.430 79.516 1.00 0.00 C ATOM 0 H ALA A 113 55.736 100.855 81.318 1.00 0.00 H new ATOM 0 HA ALA A 113 56.432 98.618 79.385 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.169 99.119 78.503 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.062 98.687 80.226 1.00 0.00 H new ATOM 0 HB3 ALA A 113 53.960 100.393 79.729 1.00 0.00 H new ATOM 1651 N PRO A 114 57.686 100.427 78.216 1.00 31.26 N ATOM 1652 CA PRO A 114 58.301 101.447 77.318 1.00 32.26 C ATOM 1653 C PRO A 114 57.465 101.694 76.060 1.00 31.77 C ATOM 1654 O PRO A 114 56.884 100.797 75.480 1.00 33.24 O ATOM 1655 CB PRO A 114 59.658 100.854 76.947 1.00 32.64 C ATOM 1656 CG PRO A 114 59.486 99.385 77.111 1.00 33.31 C ATOM 1657 CD PRO A 114 58.497 99.192 78.225 1.00 32.61 C ATOM 0 HA PRO A 114 58.375 102.416 77.811 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.935 101.108 75.924 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.447 101.235 77.595 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.124 98.932 76.188 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.436 98.908 77.349 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.879 98.310 78.059 1.00 32.61 H new ATOM 0 HD3 PRO A 114 58.999 99.054 79.182 1.00 32.61 H new ATOM 1665 N ILE A 115 57.441 102.931 75.637 1.00 30.59 N ATOM 1666 CA ILE A 115 56.692 103.316 74.406 1.00 30.04 C ATOM 1667 C ILE A 115 57.705 103.631 73.307 1.00 30.45 C ATOM 1668 O ILE A 115 58.541 104.511 73.456 1.00 30.15 O ATOM 1669 CB ILE A 115 55.890 104.567 74.779 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.982 104.264 75.976 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.030 104.993 73.587 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.374 105.567 76.500 1.00 28.50 C ATOM 0 H ILE A 115 57.918 103.704 76.102 1.00 30.59 H new ATOM 0 HA ILE A 115 56.030 102.528 74.046 1.00 30.04 H new ATOM 0 HB ILE A 115 56.578 105.370 75.042 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.191 103.575 75.680 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.554 103.774 76.764 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.458 105.883 73.850 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.673 105.214 72.735 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.345 104.186 73.326 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.728 105.351 77.351 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.172 106.241 76.812 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.788 106.038 75.711 1.00 28.50 H new ATOM 1684 N ALA A 116 57.636 102.912 72.209 1.00 30.78 N ATOM 1685 CA ALA A 116 58.595 103.126 71.074 1.00 29.78 C ATOM 1686 C ALA A 116 58.740 104.608 70.724 1.00 29.57 C ATOM 1687 O ALA A 116 57.913 105.425 71.080 1.00 28.51 O ATOM 1688 CB ALA A 116 57.991 102.361 69.895 1.00 27.76 C ATOM 0 H ALA A 116 56.947 102.177 72.049 1.00 30.78 H new ATOM 0 HA ALA A 116 59.595 102.779 71.333 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.636 102.469 69.023 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.903 101.306 70.153 1.00 27.76 H new ATOM 0 HB3 ALA A 116 57.004 102.763 69.668 1.00 27.76 H new ATOM 1694 N ALA A 117 59.797 104.953 70.035 1.00 0.00 N ATOM 1695 CA ALA A 117 60.026 106.375 69.659 1.00 0.00 C ATOM 1696 C ALA A 117 59.604 106.628 68.211 1.00 0.00 C ATOM 1697 O ALA A 117 60.167 106.072 67.285 1.00 0.00 O ATOM 1698 CB ALA A 117 61.535 106.570 69.805 1.00 0.00 C ATOM 0 H ALA A 117 60.515 104.303 69.716 1.00 0.00 H new ATOM 0 HA ALA A 117 59.449 107.061 70.279 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.796 107.596 69.546 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.830 106.369 70.835 1.00 0.00 H new ATOM 0 HB3 ALA A 117 62.057 105.884 69.138 1.00 0.00 H new ATOM 1704 N PHE A 118 58.640 107.487 68.009 1.00 29.64 N ATOM 1705 CA PHE A 118 58.198 107.812 66.623 1.00 29.08 C ATOM 1706 C PHE A 118 58.615 109.250 66.309 1.00 30.66 C ATOM 1707 O PHE A 118 58.983 109.995 67.199 1.00 30.55 O ATOM 1708 CB PHE A 118 56.672 107.648 66.609 1.00 25.73 C ATOM 1709 CG PHE A 118 56.030 108.549 67.639 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.700 109.867 67.304 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.755 108.062 68.922 1.00 22.99 C ATOM 1712 CE1 PHE A 118 55.097 110.700 68.254 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.151 108.895 69.872 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.823 110.214 69.537 1.00 21.66 C ATOM 0 H PHE A 118 58.138 107.979 68.748 1.00 29.64 H new ATOM 0 HA PHE A 118 58.646 107.164 65.869 1.00 29.08 H new ATOM 0 HB2 PHE A 118 56.285 107.886 65.618 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.411 106.610 66.813 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.910 110.241 66.313 1.00 22.18 H new ATOM 0 HD2 PHE A 118 56.009 107.044 69.179 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.843 111.718 67.996 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.938 108.520 70.862 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.358 110.857 70.270 1.00 21.66 H new ATOM 1724 N VAL A 119 58.573 109.651 65.064 1.00 0.00 N ATOM 1725 CA VAL A 119 58.983 111.047 64.722 1.00 0.00 C ATOM 1726 C VAL A 119 57.779 111.853 64.228 1.00 0.00 C ATOM 1727 O VAL A 119 56.825 111.309 63.705 1.00 0.00 O ATOM 1728 CB VAL A 119 60.032 110.899 63.613 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.540 112.282 63.193 1.00 0.00 C ATOM 1730 CG2 VAL A 119 61.211 110.066 64.129 1.00 0.00 C ATOM 0 H VAL A 119 58.275 109.078 64.275 1.00 0.00 H new ATOM 0 HA VAL A 119 59.381 111.580 65.586 1.00 0.00 H new ATOM 0 HB VAL A 119 59.577 110.402 62.756 1.00 0.00 H new ATOM 0 HG11 VAL A 119 61.285 112.172 62.405 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.706 112.879 62.823 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.991 112.780 64.051 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.956 109.962 63.340 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.660 110.564 64.988 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.857 109.079 64.426 1.00 0.00 H new ATOM 1740 N LEU A 120 57.831 113.149 64.388 1.00 36.62 N ATOM 1741 CA LEU A 120 56.708 114.015 63.928 1.00 37.66 C ATOM 1742 C LEU A 120 57.191 114.892 62.774 1.00 38.64 C ATOM 1743 O LEU A 120 58.227 115.523 62.863 1.00 37.83 O ATOM 1744 CB LEU A 120 56.323 114.885 65.133 1.00 38.14 C ATOM 1745 CG LEU A 120 55.607 114.046 66.201 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.599 113.103 66.889 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.987 114.980 67.245 1.00 37.30 C ATOM 0 H LEU A 120 58.609 113.647 64.821 1.00 36.62 H new ATOM 0 HA LEU A 120 55.856 113.433 63.576 1.00 37.66 H new ATOM 0 HB2 LEU A 120 57.217 115.340 65.560 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.675 115.699 64.808 1.00 38.14 H new ATOM 0 HG LEU A 120 54.828 113.452 65.723 1.00 37.94 H new ATOM 0 HD11 LEU A 120 56.078 112.514 67.644 1.00 39.15 H new ATOM 0 HD12 LEU A 120 57.040 112.435 66.149 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.386 113.687 67.365 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.477 114.388 68.006 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.772 115.574 67.713 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.270 115.643 66.760 1.00 37.30 H new ATOM 1759 N SER A 121 56.453 114.931 61.693 1.00 0.00 N ATOM 1760 CA SER A 121 56.866 115.763 60.525 1.00 0.00 C ATOM 1761 C SER A 121 55.639 116.150 59.696 1.00 0.00 C ATOM 1762 O SER A 121 55.679 117.065 58.897 1.00 0.00 O ATOM 1763 CB SER A 121 57.803 114.870 59.713 1.00 0.00 C ATOM 1764 OG SER A 121 59.060 114.787 60.372 1.00 0.00 O ATOM 0 H SER A 121 55.579 114.420 61.570 1.00 0.00 H new ATOM 0 HA SER A 121 57.351 116.691 60.828 1.00 0.00 H new ATOM 0 HB2 SER A 121 57.371 113.875 59.602 1.00 0.00 H new ATOM 0 HB3 SER A 121 57.932 115.275 58.709 1.00 0.00 H new ATOM 0 HG SER A 121 58.982 115.164 61.273 1.00 0.00 H new TER 1770 SER A 121