USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 HIS : no HE2:sc= -1.53 K(o=-4.3,f=-9!) USER MOD Set 1.2: A 100 HIS : no HE2:sc= -2.8 K(o=-4.3,f=-5.5!) USER MOD Set 2.1: A 33 TYR OH : rot 80:sc= 0.767 USER MOD Set 2.2: A 86 SER OG : rot -121:sc= 1.54 USER MOD Set 3.1: A 84 TYR OH : rot 180:sc= -0.265 USER MOD Set 3.2: A 101 TYR OH : rot -65:sc= 0.0182 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0.727 USER MOD Set 4.2: A 109 THR OG1 : rot 176:sc= 0.841 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=-0.28) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 22 SER OG : rot 3:sc= -0.926 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -87:sc= 0.204 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0154 K(o=-0.015,f=-1.7!) USER MOD Single : A 39 ASN : amide:sc= 0.104 K(o=0.1,f=-8.9!) USER MOD Single : A 53 GLN : amide:sc= -0.0053 K(o=-0.0053,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 58 ASN : amide:sc= -0.0712 K(o=-0.071,f=-1.2) USER MOD Single : A 61 THR OG1 : rot 30:sc= 0.136 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 101:sc= 0.152 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 97 MET CE :methyl -163:sc= -1.74! (180deg=-2.05) USER MOD Single : A 98 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.45) USER MOD Single : A 103 MET CE :methyl -127:sc= -0.0638 (180deg=-0.496) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.318 86.484 81.549 1.00 0.00 N ATOM 2 CA ARG A 6 54.101 86.764 82.367 1.00 0.00 C ATOM 3 C ARG A 6 53.822 88.270 82.406 1.00 0.00 C ATOM 4 O ARG A 6 52.693 88.693 82.583 1.00 0.00 O ATOM 5 CB ARG A 6 54.433 86.236 83.764 1.00 0.00 C ATOM 6 CG ARG A 6 53.185 86.295 84.647 1.00 0.00 C ATOM 7 CD ARG A 6 53.547 85.868 86.071 1.00 0.00 C ATOM 8 NE ARG A 6 53.824 84.407 85.975 1.00 0.00 N ATOM 9 CZ ARG A 6 54.782 83.876 86.684 1.00 0.00 C ATOM 10 NH1 ARG A 6 56.027 84.050 86.330 1.00 0.00 N ATOM 11 NH2 ARG A 6 54.498 83.173 87.745 1.00 0.00 N ATOM 0 HA ARG A 6 53.209 86.291 81.957 1.00 0.00 H new ATOM 0 HB2 ARG A 6 54.796 85.210 83.699 1.00 0.00 H new ATOM 0 HB3 ARG A 6 55.232 86.830 84.207 1.00 0.00 H new ATOM 0 HG2 ARG A 6 52.777 87.306 84.652 1.00 0.00 H new ATOM 0 HG3 ARG A 6 52.411 85.641 84.245 1.00 0.00 H new ATOM 0 HD2 ARG A 6 54.418 86.412 86.437 1.00 0.00 H new ATOM 0 HD3 ARG A 6 52.730 86.070 86.764 1.00 0.00 H new ATOM 0 HE ARG A 6 53.264 83.822 85.355 1.00 0.00 H new ATOM 0 HH11 ARG A 6 56.249 84.600 85.500 1.00 0.00 H new ATOM 0 HH12 ARG A 6 56.777 83.636 86.883 1.00 0.00 H new ATOM 0 HH21 ARG A 6 53.526 83.037 88.022 1.00 0.00 H new ATOM 0 HH22 ARG A 6 55.248 82.759 88.298 1.00 0.00 H new ATOM 25 N TYR A 7 54.841 89.080 82.243 1.00 31.93 N ATOM 26 CA TYR A 7 54.638 90.561 82.267 1.00 29.59 C ATOM 27 C TYR A 7 54.980 91.163 80.901 1.00 29.68 C ATOM 28 O TYR A 7 56.133 91.250 80.521 1.00 30.50 O ATOM 29 CB TYR A 7 55.598 91.081 83.341 1.00 27.35 C ATOM 30 CG TYR A 7 55.250 90.467 84.676 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.977 90.661 85.225 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.200 89.702 85.364 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.654 90.091 86.462 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.877 89.133 86.601 1.00 22.47 C ATOM 35 CZ TYR A 7 54.604 89.327 87.151 1.00 22.87 C ATOM 36 OH TYR A 7 54.285 88.765 88.369 1.00 25.71 O ATOM 0 H TYR A 7 55.804 88.778 82.094 1.00 31.93 H new ATOM 0 HA TYR A 7 53.605 90.831 82.484 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.626 90.835 83.074 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.536 92.168 83.402 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.244 91.250 84.694 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.182 89.551 84.940 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.672 90.241 86.885 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.610 88.544 87.132 1.00 22.47 H new ATOM 0 HH TYR A 7 55.056 88.266 88.711 1.00 25.71 H new ATOM 46 N ARG A 8 53.982 91.572 80.161 1.00 0.00 N ATOM 47 CA ARG A 8 54.230 92.167 78.811 1.00 0.00 C ATOM 48 C ARG A 8 53.097 93.128 78.434 1.00 0.00 C ATOM 49 O ARG A 8 51.931 92.836 78.609 1.00 0.00 O ATOM 50 CB ARG A 8 54.268 90.976 77.854 1.00 0.00 C ATOM 51 CG ARG A 8 54.878 91.412 76.521 1.00 0.00 C ATOM 52 CD ARG A 8 55.311 90.177 75.729 1.00 0.00 C ATOM 53 NE ARG A 8 56.421 90.649 74.855 1.00 0.00 N ATOM 54 CZ ARG A 8 57.656 90.350 75.153 1.00 0.00 C ATOM 55 NH1 ARG A 8 58.199 90.826 76.239 1.00 0.00 N ATOM 56 NH2 ARG A 8 58.348 89.575 74.363 1.00 0.00 N ATOM 0 H ARG A 8 53.001 91.520 80.434 1.00 0.00 H new ATOM 0 HA ARG A 8 55.154 92.744 78.779 1.00 0.00 H new ATOM 0 HB2 ARG A 8 54.855 90.166 78.287 1.00 0.00 H new ATOM 0 HB3 ARG A 8 53.261 90.590 77.696 1.00 0.00 H new ATOM 0 HG2 ARG A 8 54.152 91.988 75.948 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.734 92.063 76.697 1.00 0.00 H new ATOM 0 HD2 ARG A 8 55.643 89.379 76.393 1.00 0.00 H new ATOM 0 HD3 ARG A 8 54.486 89.778 75.139 1.00 0.00 H new ATOM 0 HE ARG A 8 56.216 91.205 74.025 1.00 0.00 H new ATOM 0 HH11 ARG A 8 57.658 91.432 76.856 1.00 0.00 H new ATOM 0 HH12 ARG A 8 59.164 90.592 76.471 1.00 0.00 H new ATOM 0 HH21 ARG A 8 57.924 89.203 73.513 1.00 0.00 H new ATOM 0 HH22 ARG A 8 59.313 89.341 74.595 1.00 0.00 H new ATOM 70 N VAL A 9 53.448 94.278 77.916 1.00 0.00 N ATOM 71 CA VAL A 9 52.424 95.291 77.513 1.00 0.00 C ATOM 72 C VAL A 9 52.981 96.158 76.376 1.00 0.00 C ATOM 73 O VAL A 9 53.935 96.892 76.547 1.00 0.00 O ATOM 74 CB VAL A 9 52.166 96.141 78.766 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.150 97.248 78.444 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.610 95.253 79.884 1.00 0.00 C ATOM 0 H VAL A 9 54.414 94.562 77.753 1.00 0.00 H new ATOM 0 HA VAL A 9 51.504 94.830 77.153 1.00 0.00 H new ATOM 0 HB VAL A 9 53.104 96.593 79.090 1.00 0.00 H new ATOM 0 HG11 VAL A 9 50.971 97.848 79.336 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.544 97.885 77.652 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.213 96.798 78.115 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.428 95.858 80.772 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.675 94.798 79.556 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.331 94.470 80.120 1.00 0.00 H new ATOM 86 N GLU A 10 52.368 96.084 75.225 1.00 0.00 N ATOM 87 CA GLU A 10 52.806 96.899 74.054 1.00 0.00 C ATOM 88 C GLU A 10 51.800 98.023 73.791 1.00 0.00 C ATOM 89 O GLU A 10 50.607 97.805 73.713 1.00 0.00 O ATOM 90 CB GLU A 10 52.823 95.917 72.881 1.00 0.00 C ATOM 91 CG GLU A 10 53.703 96.474 71.759 1.00 0.00 C ATOM 92 CD GLU A 10 52.980 97.629 71.062 1.00 0.00 C ATOM 93 OE1 GLU A 10 51.763 97.577 70.979 1.00 0.00 O ATOM 94 OE2 GLU A 10 53.654 98.546 70.624 1.00 0.00 O ATOM 0 H GLU A 10 51.566 95.481 75.044 1.00 0.00 H new ATOM 0 HA GLU A 10 53.777 97.368 74.213 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.203 94.949 73.209 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.809 95.754 72.515 1.00 0.00 H new ATOM 0 HG2 GLU A 10 54.653 96.820 72.166 1.00 0.00 H new ATOM 0 HG3 GLU A 10 53.932 95.688 71.039 1.00 0.00 H new ATOM 101 N VAL A 11 52.292 99.228 73.656 1.00 26.88 N ATOM 102 CA VAL A 11 51.396 100.395 73.396 1.00 26.83 C ATOM 103 C VAL A 11 51.742 101.024 72.043 1.00 27.58 C ATOM 104 O VAL A 11 52.899 101.146 71.687 1.00 28.21 O ATOM 105 CB VAL A 11 51.677 101.380 74.538 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.786 102.616 74.388 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.380 100.707 75.883 1.00 25.75 C ATOM 0 H VAL A 11 53.285 99.455 73.715 1.00 26.88 H new ATOM 0 HA VAL A 11 50.344 100.112 73.359 1.00 26.83 H new ATOM 0 HB VAL A 11 52.724 101.679 74.500 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.990 103.312 75.202 1.00 26.50 H new ATOM 0 HG12 VAL A 11 50.994 103.101 73.434 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.739 102.316 74.421 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.580 101.408 76.693 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.333 100.405 75.915 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.015 99.829 75.998 1.00 25.75 H new ATOM 117 N GLU A 12 50.750 101.419 71.285 1.00 0.00 N ATOM 118 CA GLU A 12 51.011 102.038 69.951 1.00 0.00 C ATOM 119 C GLU A 12 50.398 103.441 69.895 1.00 0.00 C ATOM 120 O GLU A 12 49.296 103.667 70.357 1.00 0.00 O ATOM 121 CB GLU A 12 50.320 101.113 68.947 1.00 0.00 C ATOM 122 CG GLU A 12 50.568 101.622 67.523 1.00 0.00 C ATOM 123 CD GLU A 12 49.880 100.701 66.506 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.590 99.567 66.852 1.00 0.00 O ATOM 125 OE2 GLU A 12 49.660 101.148 65.392 1.00 0.00 O ATOM 0 H GLU A 12 49.765 101.338 71.535 1.00 0.00 H new ATOM 0 HA GLU A 12 52.076 102.145 69.743 1.00 0.00 H new ATOM 0 HB2 GLU A 12 50.700 100.097 69.052 1.00 0.00 H new ATOM 0 HB3 GLU A 12 49.250 101.075 69.149 1.00 0.00 H new ATOM 0 HG2 GLU A 12 50.188 102.638 67.420 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.639 101.661 67.324 1.00 0.00 H new ATOM 132 N VAL A 13 51.113 104.383 69.336 1.00 26.55 N ATOM 133 CA VAL A 13 50.591 105.782 69.246 1.00 26.45 C ATOM 134 C VAL A 13 50.696 106.299 67.808 1.00 27.95 C ATOM 135 O VAL A 13 51.688 106.097 67.133 1.00 27.94 O ATOM 136 CB VAL A 13 51.478 106.604 70.187 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.016 108.063 70.188 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.377 106.043 71.609 1.00 26.97 C ATOM 0 H VAL A 13 52.041 104.244 68.936 1.00 26.55 H new ATOM 0 HA VAL A 13 49.539 105.847 69.525 1.00 26.45 H new ATOM 0 HB VAL A 13 52.511 106.549 69.844 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.649 108.645 70.858 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.088 108.468 69.179 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.982 108.117 70.528 1.00 24.91 H new ATOM 0 HG21 VAL A 13 52.009 106.629 72.277 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.343 106.096 71.948 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.708 105.004 71.615 1.00 26.97 H new ATOM 148 N SER A 14 49.666 106.966 67.340 1.00 0.00 N ATOM 149 CA SER A 14 49.682 107.504 65.946 1.00 0.00 C ATOM 150 C SER A 14 49.396 109.017 65.949 1.00 0.00 C ATOM 151 O SER A 14 48.273 109.431 66.171 1.00 0.00 O ATOM 152 CB SER A 14 48.572 106.749 65.218 1.00 0.00 C ATOM 153 OG SER A 14 48.508 107.196 63.869 1.00 0.00 O ATOM 0 H SER A 14 48.814 107.160 67.867 1.00 0.00 H new ATOM 0 HA SER A 14 50.651 107.369 65.465 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.764 105.677 65.249 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.616 106.916 65.715 1.00 0.00 H new ATOM 0 HG SER A 14 47.798 106.713 63.398 1.00 0.00 H new ATOM 159 N PRO A 15 50.426 109.794 65.701 1.00 28.75 N ATOM 160 CA PRO A 15 50.233 111.275 65.680 1.00 30.20 C ATOM 161 C PRO A 15 49.696 111.743 64.322 1.00 33.00 C ATOM 162 O PRO A 15 49.715 111.022 63.344 1.00 32.76 O ATOM 163 CB PRO A 15 51.631 111.837 65.915 1.00 29.34 C ATOM 164 CG PRO A 15 52.556 110.771 65.441 1.00 29.59 C ATOM 165 CD PRO A 15 51.863 109.457 65.675 1.00 28.91 C ATOM 0 HA PRO A 15 49.510 111.605 66.426 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.782 112.765 65.364 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.794 112.062 66.969 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.788 110.903 64.384 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.501 110.811 65.982 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.089 108.743 64.883 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.181 109.003 66.613 1.00 28.91 H new ATOM 173 N ARG A 16 49.216 112.961 64.273 1.00 34.77 N ATOM 174 CA ARG A 16 48.665 113.525 63.002 1.00 37.64 C ATOM 175 C ARG A 16 48.690 115.058 63.066 1.00 38.99 C ATOM 176 O ARG A 16 48.250 115.663 64.025 1.00 38.96 O ATOM 177 CB ARG A 16 47.226 113.001 62.901 1.00 40.22 C ATOM 178 CG ARG A 16 46.424 113.420 64.137 1.00 43.41 C ATOM 179 CD ARG A 16 45.019 112.818 64.062 1.00 47.90 C ATOM 180 NE ARG A 16 44.305 113.631 63.040 1.00 51.85 N ATOM 181 CZ ARG A 16 43.001 113.682 63.041 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.359 113.941 64.147 1.00 54.10 N ATOM 183 NH2 ARG A 16 42.338 113.471 61.936 1.00 53.27 N ATOM 0 H ARG A 16 49.182 113.596 65.070 1.00 34.77 H new ATOM 0 HA ARG A 16 49.249 113.229 62.130 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.751 113.391 62.001 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.232 111.915 62.813 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.928 113.082 65.042 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.363 114.507 64.193 1.00 43.41 H new ATOM 0 HD2 ARG A 16 45.055 111.767 63.775 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.516 112.868 65.028 1.00 47.90 H new ATOM 0 HE ARG A 16 44.835 114.148 62.339 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.876 114.104 65.011 1.00 54.10 H new ATOM 0 HH12 ARG A 16 41.340 113.981 64.148 1.00 54.10 H new ATOM 0 HH21 ARG A 16 42.839 113.266 61.072 1.00 53.27 H new ATOM 0 HH22 ARG A 16 41.319 113.511 61.937 1.00 53.27 H new ATOM 197 N PHE A 17 49.231 115.679 62.049 1.00 0.00 N ATOM 198 CA PHE A 17 49.328 117.174 62.023 1.00 0.00 C ATOM 199 C PHE A 17 47.940 117.829 62.028 1.00 0.00 C ATOM 200 O PHE A 17 47.026 117.374 61.368 1.00 0.00 O ATOM 201 CB PHE A 17 50.057 117.495 60.713 1.00 0.00 C ATOM 202 CG PHE A 17 50.311 118.981 60.622 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.314 119.569 61.402 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.545 119.772 59.756 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.553 120.945 61.317 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.783 121.150 59.672 1.00 0.00 C ATOM 207 CZ PHE A 17 50.787 121.736 60.452 1.00 0.00 C ATOM 0 H PHE A 17 49.614 115.212 61.227 1.00 0.00 H new ATOM 0 HA PHE A 17 49.848 117.555 62.902 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.001 116.952 60.668 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.459 117.166 59.863 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.904 118.960 62.070 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.771 119.320 59.153 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.328 121.397 61.918 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.192 121.760 59.005 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.971 122.798 60.387 1.00 0.00 H new ATOM 217 N LEU A 18 47.787 118.904 62.762 1.00 0.00 N ATOM 218 CA LEU A 18 46.471 119.614 62.810 1.00 0.00 C ATOM 219 C LEU A 18 46.603 121.023 62.222 1.00 0.00 C ATOM 220 O LEU A 18 46.711 122.006 62.928 1.00 0.00 O ATOM 221 CB LEU A 18 46.082 119.676 64.287 1.00 0.00 C ATOM 222 CG LEU A 18 45.742 118.272 64.791 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.489 118.320 66.299 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.485 117.765 64.080 1.00 0.00 C ATOM 0 H LEU A 18 48.521 119.322 63.333 1.00 0.00 H new ATOM 0 HA LEU A 18 45.712 119.096 62.223 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.902 120.094 64.871 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.226 120.338 64.420 1.00 0.00 H new ATOM 0 HG LEU A 18 46.574 117.600 64.582 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.247 117.320 66.659 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.383 118.682 66.807 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.657 118.992 66.507 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.242 116.765 64.439 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.653 118.437 64.289 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.663 117.732 63.005 1.00 0.00 H new ATOM 236 N ALA A 19 46.565 121.107 60.920 1.00 0.00 N ATOM 237 CA ALA A 19 46.653 122.426 60.216 1.00 0.00 C ATOM 238 C ALA A 19 45.397 123.265 60.469 1.00 0.00 C ATOM 239 O ALA A 19 45.466 124.475 60.574 1.00 0.00 O ATOM 240 CB ALA A 19 46.732 122.066 58.731 1.00 0.00 C ATOM 0 H ALA A 19 46.475 120.303 60.299 1.00 0.00 H new ATOM 0 HA ALA A 19 47.505 123.011 60.561 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.799 122.978 58.139 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.614 121.451 58.552 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.839 121.512 58.443 1.00 0.00 H new ATOM 246 N HIS A 20 44.252 122.637 60.555 1.00 0.00 N ATOM 247 CA HIS A 20 42.991 123.410 60.787 1.00 0.00 C ATOM 248 C HIS A 20 42.958 123.985 62.207 1.00 0.00 C ATOM 249 O HIS A 20 42.267 124.952 62.472 1.00 0.00 O ATOM 250 CB HIS A 20 41.856 122.406 60.582 1.00 0.00 C ATOM 251 CG HIS A 20 41.762 122.043 59.126 1.00 0.00 C ATOM 252 ND1 HIS A 20 42.496 121.006 58.574 1.00 0.00 N ATOM 253 CD2 HIS A 20 41.025 122.571 58.095 1.00 0.00 C ATOM 254 CE1 HIS A 20 42.188 120.943 57.265 1.00 0.00 C ATOM 255 NE2 HIS A 20 41.296 121.875 56.921 1.00 0.00 N ATOM 0 H HIS A 20 44.134 121.627 60.475 1.00 0.00 H new ATOM 0 HA HIS A 20 42.907 124.259 60.108 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.035 121.512 61.179 1.00 0.00 H new ATOM 0 HB3 HIS A 20 40.913 122.833 60.923 1.00 0.00 H new ATOM 0 HD2 HIS A 20 40.339 123.401 58.182 1.00 0.00 H new ATOM 0 HE1 HIS A 20 42.611 120.226 56.577 1.00 0.00 H new ATOM 0 HE2 HIS A 20 40.899 122.041 55.996 1.00 0.00 H new ATOM 263 N GLN A 21 43.691 123.399 63.122 1.00 51.13 N ATOM 264 CA GLN A 21 43.690 123.915 64.525 1.00 51.59 C ATOM 265 C GLN A 21 45.105 124.314 64.958 1.00 51.55 C ATOM 266 O GLN A 21 45.498 124.085 66.088 1.00 51.24 O ATOM 267 CB GLN A 21 43.185 122.747 65.371 1.00 52.27 C ATOM 268 CG GLN A 21 41.698 122.516 65.087 1.00 52.27 C ATOM 269 CD GLN A 21 41.191 121.347 65.933 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.887 120.367 66.114 1.00 52.37 O ATOM 271 NE2 GLN A 21 40.001 121.409 66.463 1.00 51.79 N ATOM 0 H GLN A 21 44.288 122.588 62.958 1.00 51.13 H new ATOM 0 HA GLN A 21 43.069 124.804 64.632 1.00 51.59 H new ATOM 0 HB2 GLN A 21 43.754 121.846 65.143 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.335 122.959 66.430 1.00 52.27 H new ATOM 0 HG2 GLN A 21 41.129 123.417 65.316 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.548 122.304 64.028 1.00 52.27 H new ATOM 0 HE21 GLN A 21 39.417 122.231 66.311 1.00 51.79 H new ATOM 0 HE22 GLN A 21 39.654 120.635 67.030 1.00 51.79 H new ATOM 280 N SER A 22 45.874 124.906 64.075 1.00 52.26 N ATOM 281 CA SER A 22 47.263 125.314 64.452 1.00 52.76 C ATOM 282 C SER A 22 47.800 126.388 63.501 1.00 51.68 C ATOM 283 O SER A 22 47.514 126.383 62.318 1.00 52.15 O ATOM 284 CB SER A 22 48.096 124.042 64.328 1.00 53.63 C ATOM 285 OG SER A 22 49.425 124.310 64.756 1.00 55.19 O ATOM 0 H SER A 22 45.602 125.123 63.116 1.00 52.26 H new ATOM 0 HA SER A 22 47.297 125.740 65.455 1.00 52.76 H new ATOM 0 HB2 SER A 22 47.660 123.247 64.933 1.00 53.63 H new ATOM 0 HB3 SER A 22 48.097 123.693 63.295 1.00 53.63 H new ATOM 0 HG SER A 22 49.485 125.234 65.078 1.00 55.19 H new ATOM 291 N THR A 23 48.594 127.295 64.010 1.00 0.00 N ATOM 292 CA THR A 23 49.183 128.364 63.145 1.00 0.00 C ATOM 293 C THR A 23 50.716 128.263 63.198 1.00 0.00 C ATOM 294 O THR A 23 51.343 128.816 64.080 1.00 0.00 O ATOM 295 CB THR A 23 48.689 129.698 63.727 1.00 0.00 C ATOM 296 OG1 THR A 23 49.288 130.770 63.012 1.00 0.00 O ATOM 297 CG2 THR A 23 49.058 129.811 65.211 1.00 0.00 C ATOM 0 H THR A 23 48.862 127.342 64.993 1.00 0.00 H new ATOM 0 HA THR A 23 48.886 128.272 62.100 1.00 0.00 H new ATOM 0 HB THR A 23 47.604 129.742 63.632 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.975 131.623 63.379 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.699 130.762 65.604 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.596 128.993 65.764 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.141 129.758 65.322 1.00 0.00 H new ATOM 305 N PRO A 24 51.267 127.531 62.257 1.00 49.88 N ATOM 306 CA PRO A 24 52.748 127.352 62.253 1.00 51.02 C ATOM 307 C PRO A 24 53.478 128.670 61.969 1.00 51.50 C ATOM 308 O PRO A 24 54.636 128.826 62.308 1.00 51.57 O ATOM 309 CB PRO A 24 52.997 126.355 61.126 1.00 51.23 C ATOM 310 CG PRO A 24 51.833 126.514 60.209 1.00 51.05 C ATOM 311 CD PRO A 24 50.661 126.907 61.064 1.00 49.44 C ATOM 0 HA PRO A 24 53.119 127.010 63.219 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.936 126.565 60.613 1.00 51.23 H new ATOM 0 HB3 PRO A 24 53.063 125.336 61.507 1.00 51.23 H new ATOM 0 HG2 PRO A 24 52.035 127.275 59.455 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.630 125.585 59.677 1.00 51.05 H new ATOM 0 HD2 PRO A 24 50.005 127.603 60.542 1.00 49.44 H new ATOM 0 HD3 PRO A 24 50.057 126.040 61.333 1.00 49.44 H new ATOM 319 N ASP A 25 52.821 129.609 61.337 1.00 0.00 N ATOM 320 CA ASP A 25 53.495 130.908 61.016 1.00 0.00 C ATOM 321 C ASP A 25 53.847 131.676 62.297 1.00 0.00 C ATOM 322 O ASP A 25 54.736 132.507 62.298 1.00 0.00 O ATOM 323 CB ASP A 25 52.495 131.693 60.165 1.00 0.00 C ATOM 324 CG ASP A 25 53.183 132.926 59.577 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.494 133.827 60.339 1.00 0.00 O ATOM 326 OD2 ASP A 25 53.385 132.949 58.374 1.00 0.00 O ATOM 0 H ASP A 25 51.851 129.535 61.030 1.00 0.00 H new ATOM 0 HA ASP A 25 54.435 130.750 60.486 1.00 0.00 H new ATOM 0 HB2 ASP A 25 52.109 131.062 59.364 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.642 131.995 60.773 1.00 0.00 H new ATOM 331 N GLU A 26 53.161 131.412 63.381 1.00 0.00 N ATOM 332 CA GLU A 26 53.464 132.139 64.654 1.00 0.00 C ATOM 333 C GLU A 26 54.210 131.229 65.638 1.00 0.00 C ATOM 334 O GLU A 26 54.170 131.434 66.836 1.00 0.00 O ATOM 335 CB GLU A 26 52.098 132.529 65.220 1.00 0.00 C ATOM 336 CG GLU A 26 51.472 133.616 64.343 1.00 0.00 C ATOM 337 CD GLU A 26 52.305 134.896 64.443 1.00 0.00 C ATOM 338 OE1 GLU A 26 52.432 135.411 65.542 1.00 0.00 O ATOM 339 OE2 GLU A 26 52.799 135.339 63.420 1.00 0.00 O ATOM 0 H GLU A 26 52.407 130.728 63.441 1.00 0.00 H new ATOM 0 HA GLU A 26 54.104 133.005 64.485 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.446 131.657 65.257 1.00 0.00 H new ATOM 0 HB3 GLU A 26 52.206 132.890 66.243 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.425 133.280 63.307 1.00 0.00 H new ATOM 0 HG3 GLU A 26 50.448 133.810 64.662 1.00 0.00 H new ATOM 346 N GLY A 27 54.887 130.223 65.141 1.00 0.00 N ATOM 347 CA GLY A 27 55.635 129.293 66.042 1.00 0.00 C ATOM 348 C GLY A 27 54.643 128.498 66.896 1.00 0.00 C ATOM 349 O GLY A 27 54.951 128.085 67.998 1.00 0.00 O ATOM 0 H GLY A 27 54.954 130.006 64.147 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.249 128.613 65.451 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.312 129.857 66.683 1.00 0.00 H new ATOM 353 N ARG A 28 53.455 128.286 66.391 1.00 0.00 N ATOM 354 CA ARG A 28 52.430 127.521 67.158 1.00 0.00 C ATOM 355 C ARG A 28 51.989 126.287 66.367 1.00 0.00 C ATOM 356 O ARG A 28 51.091 126.354 65.547 1.00 0.00 O ATOM 357 CB ARG A 28 51.268 128.496 67.342 1.00 0.00 C ATOM 358 CG ARG A 28 51.413 129.216 68.685 1.00 0.00 C ATOM 359 CD ARG A 28 50.321 130.281 68.816 1.00 0.00 C ATOM 360 NE ARG A 28 49.061 129.517 69.026 1.00 0.00 N ATOM 361 CZ ARG A 28 48.088 130.041 69.720 1.00 0.00 C ATOM 362 NH1 ARG A 28 48.338 130.613 70.866 1.00 0.00 N ATOM 363 NH2 ARG A 28 46.865 129.994 69.268 1.00 0.00 N ATOM 0 H ARG A 28 53.150 128.613 65.474 1.00 0.00 H new ATOM 0 HA ARG A 28 52.809 127.159 68.114 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.255 129.221 66.528 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.320 127.959 67.306 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.337 128.500 69.503 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.397 129.679 68.757 1.00 0.00 H new ATOM 0 HD2 ARG A 28 50.521 130.950 69.653 1.00 0.00 H new ATOM 0 HD3 ARG A 28 50.263 130.899 67.920 1.00 0.00 H new ATOM 0 HE ARG A 28 48.958 128.584 68.627 1.00 0.00 H new ATOM 0 HH11 ARG A 28 49.294 130.651 71.219 1.00 0.00 H new ATOM 0 HH12 ARG A 28 47.577 131.023 71.408 1.00 0.00 H new ATOM 0 HH21 ARG A 28 46.669 129.548 68.372 1.00 0.00 H new ATOM 0 HH22 ARG A 28 46.105 130.404 69.811 1.00 0.00 H new ATOM 377 N TYR A 29 52.606 125.159 66.619 1.00 46.07 N ATOM 378 CA TYR A 29 52.224 123.907 65.899 1.00 43.41 C ATOM 379 C TYR A 29 51.403 123.014 66.834 1.00 41.37 C ATOM 380 O TYR A 29 51.758 122.817 67.982 1.00 39.95 O ATOM 381 CB TYR A 29 53.544 123.220 65.535 1.00 43.56 C ATOM 382 CG TYR A 29 54.406 124.141 64.701 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.199 125.111 65.323 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.421 124.016 63.306 1.00 44.01 C ATOM 385 CE1 TYR A 29 56.005 125.958 64.553 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.227 124.863 62.536 1.00 42.98 C ATOM 387 CZ TYR A 29 56.019 125.834 63.159 1.00 43.35 C ATOM 388 OH TYR A 29 56.814 126.668 62.400 1.00 43.13 O ATOM 0 H TYR A 29 53.361 125.052 67.296 1.00 46.07 H new ATOM 0 HA TYR A 29 51.622 124.107 65.013 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.076 122.937 66.443 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.343 122.301 64.984 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.189 125.207 66.399 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.811 123.266 62.824 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.616 126.707 65.035 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.238 124.767 61.460 1.00 42.98 H new ATOM 0 HH TYR A 29 56.323 127.491 62.195 1.00 43.13 H new ATOM 398 N ALA A 30 50.305 122.483 66.357 1.00 0.00 N ATOM 399 CA ALA A 30 49.459 121.615 67.233 1.00 0.00 C ATOM 400 C ALA A 30 49.425 120.174 66.713 1.00 0.00 C ATOM 401 O ALA A 30 48.994 119.915 65.604 1.00 0.00 O ATOM 402 CB ALA A 30 48.064 122.238 67.189 1.00 0.00 C ATOM 0 H ALA A 30 49.959 122.611 65.406 1.00 0.00 H new ATOM 0 HA ALA A 30 49.852 121.564 68.248 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.385 121.654 67.810 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.110 123.261 67.564 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.701 122.244 66.161 1.00 0.00 H new ATOM 408 N PHE A 31 49.868 119.235 67.512 1.00 36.58 N ATOM 409 CA PHE A 31 49.852 117.806 67.079 1.00 36.29 C ATOM 410 C PHE A 31 48.908 117.002 67.979 1.00 35.25 C ATOM 411 O PHE A 31 48.942 117.130 69.188 1.00 34.09 O ATOM 412 CB PHE A 31 51.286 117.303 67.257 1.00 36.39 C ATOM 413 CG PHE A 31 52.200 117.973 66.259 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.788 119.204 66.567 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.463 117.357 65.030 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.642 119.821 65.645 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.314 117.975 64.107 1.00 37.25 C ATOM 418 CZ PHE A 31 53.905 119.207 64.414 1.00 36.45 C ATOM 0 H PHE A 31 50.241 119.398 68.447 1.00 36.58 H new ATOM 0 HA PHE A 31 49.508 117.699 66.050 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.629 117.510 68.271 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.319 116.222 67.123 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.583 119.678 67.515 1.00 38.88 H new ATOM 0 HD2 PHE A 31 52.010 116.406 64.794 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.098 120.771 65.883 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.515 117.502 63.157 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.563 119.683 63.702 1.00 36.45 H new ATOM 428 N ALA A 32 48.085 116.160 67.408 1.00 34.06 N ATOM 429 CA ALA A 32 47.160 115.326 68.233 1.00 32.35 C ATOM 430 C ALA A 32 47.589 113.864 68.116 1.00 31.25 C ATOM 431 O ALA A 32 47.840 113.382 67.027 1.00 31.96 O ATOM 432 CB ALA A 32 45.775 115.533 67.617 1.00 32.65 C ATOM 0 H ALA A 32 48.014 116.014 66.401 1.00 34.06 H new ATOM 0 HA ALA A 32 47.166 115.595 69.289 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.039 114.950 68.171 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.510 116.589 67.663 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.787 115.207 66.577 1.00 32.65 H new ATOM 438 N TYR A 33 47.699 113.157 69.213 1.00 29.03 N ATOM 439 CA TYR A 33 48.139 111.730 69.121 1.00 27.15 C ATOM 440 C TYR A 33 47.177 110.798 69.867 1.00 26.72 C ATOM 441 O TYR A 33 46.650 111.137 70.910 1.00 28.24 O ATOM 442 CB TYR A 33 49.560 111.700 69.720 1.00 26.09 C ATOM 443 CG TYR A 33 49.539 111.879 71.225 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.286 113.136 71.786 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.786 110.781 72.055 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.279 113.291 73.177 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.782 110.936 73.445 1.00 25.85 C ATOM 448 CZ TYR A 33 49.528 112.191 74.006 1.00 27.60 C ATOM 449 OH TYR A 33 49.528 112.344 75.378 1.00 28.81 O ATOM 0 H TYR A 33 47.507 113.499 70.155 1.00 29.03 H new ATOM 0 HA TYR A 33 48.139 111.371 68.092 1.00 27.15 H new ATOM 0 HB2 TYR A 33 50.039 110.752 69.473 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.162 112.489 69.268 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.096 113.985 71.146 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.980 109.811 71.622 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.081 114.260 73.611 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.975 110.087 74.084 1.00 25.85 H new ATOM 0 HH TYR A 33 48.605 112.353 75.706 1.00 28.81 H new ATOM 459 N SER A 34 46.954 109.624 69.333 1.00 0.00 N ATOM 460 CA SER A 34 46.035 108.654 69.997 1.00 0.00 C ATOM 461 C SER A 34 46.854 107.538 70.647 1.00 0.00 C ATOM 462 O SER A 34 47.844 107.091 70.106 1.00 0.00 O ATOM 463 CB SER A 34 45.161 108.098 68.874 1.00 0.00 C ATOM 464 OG SER A 34 44.264 107.134 69.412 1.00 0.00 O ATOM 0 H SER A 34 47.371 109.295 68.462 1.00 0.00 H new ATOM 0 HA SER A 34 45.434 109.114 70.781 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.604 108.905 68.398 1.00 0.00 H new ATOM 0 HB3 SER A 34 45.784 107.643 68.104 1.00 0.00 H new ATOM 0 HG SER A 34 43.700 106.776 68.695 1.00 0.00 H new ATOM 470 N ILE A 35 46.457 107.105 71.814 1.00 0.00 N ATOM 471 CA ILE A 35 47.214 106.033 72.528 1.00 0.00 C ATOM 472 C ILE A 35 46.485 104.686 72.461 1.00 0.00 C ATOM 473 O ILE A 35 45.303 104.585 72.726 1.00 0.00 O ATOM 474 CB ILE A 35 47.274 106.532 73.982 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.056 107.857 74.039 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.969 105.493 74.875 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.490 107.654 73.528 1.00 0.00 C ATOM 0 H ILE A 35 45.634 107.450 72.308 1.00 0.00 H new ATOM 0 HA ILE A 35 48.196 105.863 72.087 1.00 0.00 H new ATOM 0 HB ILE A 35 46.257 106.687 74.343 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.551 108.611 73.435 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.077 108.230 75.063 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.004 105.860 75.901 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.413 104.556 74.844 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.984 105.325 74.515 1.00 0.00 H new ATOM 0 HD11 ILE A 35 50.030 108.600 73.574 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.997 106.916 74.150 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.462 107.302 72.497 1.00 0.00 H new ATOM 489 N ARG A 36 47.209 103.653 72.112 1.00 25.30 N ATOM 490 CA ARG A 36 46.607 102.291 72.024 1.00 25.64 C ATOM 491 C ARG A 36 47.375 101.336 72.941 1.00 23.79 C ATOM 492 O ARG A 36 48.410 100.806 72.584 1.00 25.11 O ATOM 493 CB ARG A 36 46.760 101.875 70.561 1.00 28.66 C ATOM 494 CG ARG A 36 45.829 102.719 69.689 1.00 34.24 C ATOM 495 CD ARG A 36 45.943 102.267 68.230 1.00 37.45 C ATOM 496 NE ARG A 36 45.331 100.907 68.197 1.00 40.12 N ATOM 497 CZ ARG A 36 45.523 100.132 67.165 1.00 40.24 C ATOM 498 NH1 ARG A 36 44.878 100.355 66.052 1.00 39.81 N ATOM 499 NH2 ARG A 36 46.360 99.134 67.245 1.00 39.07 N ATOM 0 H ARG A 36 48.202 103.697 71.882 1.00 25.30 H new ATOM 0 HA ARG A 36 45.562 102.273 72.335 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.794 102.007 70.241 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.523 100.817 70.446 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.800 102.616 70.033 1.00 34.24 H new ATOM 0 HG3 ARG A 36 46.090 103.774 69.775 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.419 102.952 67.563 1.00 37.45 H new ATOM 0 HD3 ARG A 36 46.983 102.239 67.906 1.00 37.45 H new ATOM 0 HE ARG A 36 44.763 100.583 68.980 1.00 40.12 H new ATOM 0 HH11 ARG A 36 44.224 101.135 65.989 1.00 39.81 H new ATOM 0 HH12 ARG A 36 45.028 99.749 65.245 1.00 39.81 H new ATOM 0 HH21 ARG A 36 46.864 98.960 68.114 1.00 39.07 H new ATOM 0 HH22 ARG A 36 46.510 98.528 66.438 1.00 39.07 H new ATOM 513 N ILE A 37 46.868 101.125 74.125 1.00 20.73 N ATOM 514 CA ILE A 37 47.543 100.218 75.102 1.00 18.17 C ATOM 515 C ILE A 37 46.997 98.791 74.979 1.00 17.71 C ATOM 516 O ILE A 37 45.834 98.540 75.223 1.00 15.34 O ATOM 517 CB ILE A 37 47.201 100.801 76.479 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.711 102.244 76.570 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.876 99.966 77.571 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.138 102.911 77.822 1.00 16.07 C ATOM 0 H ILE A 37 46.003 101.547 74.463 1.00 20.73 H new ATOM 0 HA ILE A 37 48.618 100.160 74.931 1.00 18.17 H new ATOM 0 HB ILE A 37 46.120 100.784 76.615 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.800 102.254 76.606 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.416 102.802 75.681 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.632 100.381 78.549 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.520 98.937 77.514 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.956 99.985 77.428 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.501 103.937 77.886 1.00 16.07 H new ATOM 0 HD12 ILE A 37 46.049 102.914 77.767 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.455 102.358 78.706 1.00 16.07 H new ATOM 532 N GLN A 38 47.839 97.854 74.627 1.00 0.00 N ATOM 533 CA GLN A 38 47.391 96.433 74.514 1.00 0.00 C ATOM 534 C GLN A 38 48.145 95.583 75.540 1.00 0.00 C ATOM 535 O GLN A 38 49.346 95.699 75.698 1.00 0.00 O ATOM 536 CB GLN A 38 47.726 96.007 73.084 1.00 0.00 C ATOM 537 CG GLN A 38 47.268 94.563 72.860 1.00 0.00 C ATOM 538 CD GLN A 38 47.459 94.185 71.388 1.00 0.00 C ATOM 539 OE1 GLN A 38 47.544 95.043 70.532 1.00 0.00 O ATOM 540 NE2 GLN A 38 47.529 92.924 71.057 1.00 0.00 N ATOM 0 H GLN A 38 48.823 98.013 74.412 1.00 0.00 H new ATOM 0 HA GLN A 38 46.326 96.310 74.713 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.235 96.670 72.371 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.799 96.090 72.910 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.839 93.887 73.496 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.220 94.456 73.140 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.458 92.203 71.775 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.655 92.659 70.080 1.00 0.00 H new ATOM 549 N ASN A 39 47.434 94.738 76.244 1.00 15.86 N ATOM 550 CA ASN A 39 48.090 93.883 77.278 1.00 17.88 C ATOM 551 C ASN A 39 48.495 92.532 76.681 1.00 18.37 C ATOM 552 O ASN A 39 47.656 91.759 76.257 1.00 18.69 O ATOM 553 CB ASN A 39 47.044 93.703 78.380 1.00 19.10 C ATOM 554 CG ASN A 39 47.674 92.979 79.572 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.652 92.273 79.424 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.151 93.127 80.759 1.00 19.13 N ATOM 0 H ASN A 39 46.428 94.604 76.147 1.00 15.86 H new ATOM 0 HA ASN A 39 49.003 94.337 77.663 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.660 94.674 78.693 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.196 93.132 78.001 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.563 92.650 81.561 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.330 93.719 80.884 1.00 19.13 H new ATOM 563 N ALA A 40 49.769 92.236 76.661 1.00 0.00 N ATOM 564 CA ALA A 40 50.232 90.926 76.111 1.00 0.00 C ATOM 565 C ALA A 40 50.878 90.074 77.216 1.00 0.00 C ATOM 566 O ALA A 40 51.502 89.067 76.938 1.00 0.00 O ATOM 567 CB ALA A 40 51.254 91.281 75.032 1.00 0.00 C ATOM 0 H ALA A 40 50.511 92.847 77.003 1.00 0.00 H new ATOM 0 HA ALA A 40 49.407 90.338 75.708 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.640 90.367 74.581 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.776 91.890 74.265 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.076 91.840 75.479 1.00 0.00 H new ATOM 573 N GLY A 41 50.727 90.461 78.463 1.00 27.60 N ATOM 574 CA GLY A 41 51.327 89.664 79.575 1.00 28.62 C ATOM 575 C GLY A 41 50.398 88.498 79.912 1.00 29.10 C ATOM 576 O GLY A 41 49.362 88.326 79.296 1.00 28.18 O ATOM 0 H GLY A 41 50.215 91.293 78.755 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.309 89.291 79.283 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.474 90.294 80.452 1.00 28.62 H new ATOM 580 N ALA A 42 50.759 87.694 80.882 1.00 0.00 N ATOM 581 CA ALA A 42 49.894 86.535 81.254 1.00 0.00 C ATOM 582 C ALA A 42 48.973 86.911 82.413 1.00 0.00 C ATOM 583 O ALA A 42 47.857 86.439 82.517 1.00 0.00 O ATOM 584 CB ALA A 42 50.868 85.436 81.678 1.00 0.00 C ATOM 0 H ALA A 42 51.614 87.791 81.430 1.00 0.00 H new ATOM 0 HA ALA A 42 49.253 86.218 80.431 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.309 84.546 81.968 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.529 85.194 80.845 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.462 85.783 82.524 1.00 0.00 H new ATOM 590 N VAL A 43 49.445 87.759 83.284 1.00 0.00 N ATOM 591 CA VAL A 43 48.622 88.186 84.457 1.00 0.00 C ATOM 592 C VAL A 43 48.087 89.609 84.230 1.00 0.00 C ATOM 593 O VAL A 43 48.780 90.449 83.688 1.00 0.00 O ATOM 594 CB VAL A 43 49.589 88.132 85.648 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.892 88.611 86.924 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.067 86.691 85.847 1.00 0.00 C ATOM 0 H VAL A 43 50.373 88.179 83.235 1.00 0.00 H new ATOM 0 HA VAL A 43 47.750 87.552 84.621 1.00 0.00 H new ATOM 0 HB VAL A 43 50.438 88.783 85.442 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.591 88.567 87.759 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.552 89.638 86.789 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.036 87.970 87.133 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.754 86.649 86.692 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.210 86.047 86.044 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.578 86.350 84.947 1.00 0.00 H new ATOM 606 N PRO A 44 46.853 89.830 84.643 1.00 21.08 N ATOM 607 CA PRO A 44 46.253 91.189 84.443 1.00 21.01 C ATOM 608 C PRO A 44 47.141 92.298 85.023 1.00 21.95 C ATOM 609 O PRO A 44 47.775 92.136 86.052 1.00 21.40 O ATOM 610 CB PRO A 44 44.914 91.116 85.177 1.00 20.53 C ATOM 611 CG PRO A 44 45.104 90.036 86.180 1.00 18.90 C ATOM 612 CD PRO A 44 45.976 89.016 85.508 1.00 19.89 C ATOM 0 HA PRO A 44 46.143 91.436 83.387 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.670 92.065 85.655 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.097 90.885 84.493 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.574 90.419 87.086 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.149 89.602 86.476 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.550 88.439 86.233 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.388 88.305 84.928 1.00 19.89 H new ATOM 620 N ALA A 45 47.187 93.419 84.352 1.00 20.91 N ATOM 621 CA ALA A 45 48.027 94.557 84.824 1.00 19.47 C ATOM 622 C ALA A 45 47.297 95.892 84.630 1.00 19.21 C ATOM 623 O ALA A 45 46.474 96.047 83.745 1.00 19.53 O ATOM 624 CB ALA A 45 49.271 94.509 83.937 1.00 18.37 C ATOM 0 H ALA A 45 46.673 93.595 83.489 1.00 20.91 H new ATOM 0 HA ALA A 45 48.261 94.478 85.886 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.948 95.316 84.216 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.774 93.551 84.068 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.979 94.626 82.893 1.00 18.37 H new ATOM 630 N ARG A 46 47.604 96.854 85.460 1.00 0.00 N ATOM 631 CA ARG A 46 46.948 98.190 85.348 1.00 0.00 C ATOM 632 C ARG A 46 48.015 99.287 85.298 1.00 0.00 C ATOM 633 O ARG A 46 49.143 99.080 85.706 1.00 0.00 O ATOM 634 CB ARG A 46 46.079 98.318 86.605 1.00 0.00 C ATOM 635 CG ARG A 46 46.951 98.261 87.864 1.00 0.00 C ATOM 636 CD ARG A 46 46.060 98.370 89.104 1.00 0.00 C ATOM 637 NE ARG A 46 46.972 98.804 90.198 1.00 0.00 N ATOM 638 CZ ARG A 46 46.708 98.479 91.435 1.00 0.00 C ATOM 639 NH1 ARG A 46 46.489 97.231 91.748 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.665 99.401 92.357 1.00 0.00 N ATOM 0 H ARG A 46 48.285 96.771 86.215 1.00 0.00 H new ATOM 0 HA ARG A 46 46.350 98.290 84.442 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.527 99.257 86.579 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.342 97.516 86.629 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.514 97.328 87.888 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.679 99.072 87.853 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.257 99.091 88.951 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.590 97.414 89.338 1.00 0.00 H new ATOM 0 HE ARG A 46 47.803 99.355 89.981 1.00 0.00 H new ATOM 0 HH11 ARG A 46 46.524 96.511 91.027 1.00 0.00 H new ATOM 0 HH12 ARG A 46 46.283 96.976 92.714 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.838 100.376 92.112 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.459 99.147 93.323 1.00 0.00 H new ATOM 654 N LEU A 47 47.670 100.450 84.804 1.00 0.00 N ATOM 655 CA LEU A 47 48.673 101.556 84.733 1.00 0.00 C ATOM 656 C LEU A 47 48.489 102.496 85.925 1.00 0.00 C ATOM 657 O LEU A 47 47.453 103.116 86.081 1.00 0.00 O ATOM 658 CB LEU A 47 48.375 102.283 83.420 1.00 0.00 C ATOM 659 CG LEU A 47 49.538 103.214 83.072 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.475 103.580 81.589 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.445 104.489 83.914 1.00 0.00 C ATOM 0 H LEU A 47 46.742 100.680 84.449 1.00 0.00 H new ATOM 0 HA LEU A 47 49.700 101.192 84.765 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.223 101.560 82.619 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.452 102.856 83.511 1.00 0.00 H new ATOM 0 HG LEU A 47 50.480 102.707 83.282 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.304 104.243 81.342 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.544 102.674 80.987 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.532 104.084 81.378 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.274 105.151 83.665 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.502 104.995 83.706 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.492 104.231 84.972 1.00 0.00 H new ATOM 673 N VAL A 48 49.483 102.601 86.770 1.00 0.00 N ATOM 674 CA VAL A 48 49.366 103.495 87.960 1.00 0.00 C ATOM 675 C VAL A 48 50.078 104.829 87.707 1.00 0.00 C ATOM 676 O VAL A 48 49.703 105.845 88.262 1.00 0.00 O ATOM 677 CB VAL A 48 50.030 102.730 89.109 1.00 0.00 C ATOM 678 CG1 VAL A 48 49.966 103.564 90.394 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.293 101.408 89.334 1.00 0.00 C ATOM 0 H VAL A 48 50.371 102.106 86.687 1.00 0.00 H new ATOM 0 HA VAL A 48 48.328 103.738 88.185 1.00 0.00 H new ATOM 0 HB VAL A 48 51.071 102.535 88.853 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.440 103.015 91.208 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.488 104.509 90.241 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.925 103.762 90.648 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.765 100.863 90.152 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.252 101.610 89.586 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.336 100.808 88.425 1.00 0.00 H new ATOM 689 N ALA A 49 51.110 104.837 86.893 1.00 0.00 N ATOM 690 CA ALA A 49 51.833 106.122 86.645 1.00 0.00 C ATOM 691 C ALA A 49 52.269 106.261 85.182 1.00 0.00 C ATOM 692 O ALA A 49 52.322 105.302 84.435 1.00 0.00 O ATOM 693 CB ALA A 49 53.055 106.071 87.563 1.00 0.00 C ATOM 0 H ALA A 49 51.476 104.023 86.399 1.00 0.00 H new ATOM 0 HA ALA A 49 51.191 106.980 86.846 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.641 106.982 87.440 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.728 105.987 88.599 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.668 105.208 87.305 1.00 0.00 H new ATOM 699 N ARG A 50 52.585 107.464 84.785 1.00 18.13 N ATOM 700 CA ARG A 50 53.030 107.728 83.384 1.00 20.89 C ATOM 701 C ARG A 50 54.115 108.812 83.365 1.00 22.46 C ATOM 702 O ARG A 50 54.068 109.775 84.105 1.00 23.35 O ATOM 703 CB ARG A 50 51.770 108.198 82.642 1.00 21.09 C ATOM 704 CG ARG A 50 51.260 109.519 83.232 1.00 22.20 C ATOM 705 CD ARG A 50 49.876 109.831 82.656 1.00 26.75 C ATOM 706 NE ARG A 50 49.544 111.189 83.166 1.00 26.68 N ATOM 707 CZ ARG A 50 49.681 112.229 82.390 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.721 112.565 81.574 1.00 29.05 N ATOM 709 NH2 ARG A 50 50.779 112.933 82.430 1.00 27.75 N ATOM 0 H ARG A 50 52.553 108.290 85.382 1.00 18.13 H new ATOM 0 HA ARG A 50 53.464 106.844 82.916 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.992 108.328 81.583 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.993 107.437 82.714 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.207 109.449 84.318 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.954 110.327 82.999 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.888 109.811 81.566 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.139 109.096 82.980 1.00 26.75 H new ATOM 0 HE ARG A 50 49.209 111.307 84.122 1.00 26.68 H new ATOM 0 HH11 ARG A 50 47.863 112.015 81.542 1.00 29.05 H new ATOM 0 HH12 ARG A 50 48.828 113.378 80.968 1.00 29.05 H new ATOM 0 HH21 ARG A 50 51.530 112.670 83.068 1.00 27.75 H new ATOM 0 HH22 ARG A 50 50.886 113.746 81.823 1.00 27.75 H new ATOM 723 N HIS A 51 55.092 108.645 82.510 1.00 22.89 N ATOM 724 CA HIS A 51 56.201 109.640 82.409 1.00 23.99 C ATOM 725 C HIS A 51 56.648 109.762 80.947 1.00 24.58 C ATOM 726 O HIS A 51 57.172 108.832 80.365 1.00 24.14 O ATOM 727 CB HIS A 51 57.319 109.077 83.291 1.00 22.92 C ATOM 728 CG HIS A 51 58.518 109.989 83.250 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.778 109.571 83.650 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.665 111.296 82.856 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.620 110.609 83.488 1.00 26.28 C ATOM 732 NE2 HIS A 51 59.992 111.685 83.007 1.00 25.48 N ATOM 0 H HIS A 51 55.169 107.853 81.871 1.00 22.89 H new ATOM 0 HA HIS A 51 55.909 110.639 82.733 1.00 23.99 H new ATOM 0 HB2 HIS A 51 56.966 108.973 84.317 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.598 108.081 82.947 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.022 108.646 84.003 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.871 111.927 82.485 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.675 110.576 83.719 1.00 26.28 H new ATOM 740 N TRP A 52 56.433 110.909 80.355 1.00 24.73 N ATOM 741 CA TRP A 52 56.826 111.120 78.929 1.00 24.73 C ATOM 742 C TRP A 52 58.169 111.848 78.819 1.00 25.24 C ATOM 743 O TRP A 52 58.418 112.824 79.500 1.00 25.25 O ATOM 744 CB TRP A 52 55.721 112.007 78.354 1.00 22.37 C ATOM 745 CG TRP A 52 54.546 111.170 77.963 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.358 111.142 78.609 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.426 110.245 76.844 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.517 110.259 77.956 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.130 109.683 76.862 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.310 109.846 75.825 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.723 108.756 75.901 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.903 108.914 74.857 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.612 108.370 74.895 1.00 18.33 C ATOM 0 H TRP A 52 55.998 111.716 80.803 1.00 24.73 H new ATOM 0 HA TRP A 52 56.939 110.172 78.404 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.419 112.750 79.092 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.095 112.552 77.487 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.107 111.715 79.490 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.560 110.058 78.248 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.307 110.259 75.787 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.727 108.340 75.935 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.589 108.615 74.078 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.305 107.653 74.148 1.00 18.33 H new ATOM 764 N GLN A 53 59.027 111.377 77.952 1.00 0.00 N ATOM 765 CA GLN A 53 60.356 112.027 77.762 1.00 0.00 C ATOM 766 C GLN A 53 60.434 112.595 76.342 1.00 0.00 C ATOM 767 O GLN A 53 61.062 112.027 75.466 1.00 0.00 O ATOM 768 CB GLN A 53 61.377 110.904 77.949 1.00 0.00 C ATOM 769 CG GLN A 53 62.792 111.483 77.891 1.00 0.00 C ATOM 770 CD GLN A 53 63.807 110.406 78.283 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.465 109.436 78.931 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.052 110.538 77.917 1.00 0.00 N ATOM 0 H GLN A 53 58.861 110.562 77.362 1.00 0.00 H new ATOM 0 HA GLN A 53 60.533 112.847 78.458 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.215 110.407 78.906 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.250 110.150 77.173 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.005 111.848 76.886 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.874 112.336 78.565 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.340 111.351 77.373 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.737 109.828 78.175 1.00 0.00 H new ATOM 781 N ILE A 54 59.775 113.701 76.103 1.00 28.56 N ATOM 782 CA ILE A 54 59.776 114.309 74.736 1.00 31.69 C ATOM 783 C ILE A 54 60.992 115.224 74.514 1.00 31.35 C ATOM 784 O ILE A 54 61.291 116.098 75.306 1.00 31.20 O ATOM 785 CB ILE A 54 58.441 115.088 74.629 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.446 116.328 75.537 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.266 114.181 75.018 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.190 117.161 75.267 1.00 36.11 C ATOM 0 H ILE A 54 59.233 114.212 76.800 1.00 28.56 H new ATOM 0 HA ILE A 54 59.855 113.545 73.962 1.00 31.69 H new ATOM 0 HB ILE A 54 58.329 115.413 73.595 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.477 116.026 76.584 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.339 116.925 75.351 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.333 114.740 74.939 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.232 113.322 74.348 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.397 113.836 76.044 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.192 118.041 75.910 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.179 117.475 74.223 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.304 116.561 75.475 1.00 36.11 H new ATOM 800 N THR A 55 61.678 115.031 73.419 1.00 32.39 N ATOM 801 CA THR A 55 62.855 115.889 73.088 1.00 32.79 C ATOM 802 C THR A 55 62.595 116.564 71.741 1.00 33.98 C ATOM 803 O THR A 55 62.161 115.935 70.793 1.00 33.62 O ATOM 804 CB THR A 55 64.065 114.953 73.031 1.00 32.44 C ATOM 805 OG1 THR A 55 64.217 114.295 74.283 1.00 30.14 O ATOM 806 CG2 THR A 55 65.325 115.764 72.721 1.00 31.51 C ATOM 0 H THR A 55 61.471 114.307 72.731 1.00 32.39 H new ATOM 0 HA THR A 55 63.032 116.674 73.823 1.00 32.79 H new ATOM 0 HB THR A 55 63.912 114.210 72.249 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.991 113.695 74.245 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.186 115.097 72.681 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.208 116.265 71.760 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.479 116.509 73.502 1.00 31.51 H new ATOM 814 N ASP A 56 62.831 117.852 71.663 1.00 36.19 N ATOM 815 CA ASP A 56 62.568 118.587 70.392 1.00 38.66 C ATOM 816 C ASP A 56 63.779 118.537 69.454 1.00 38.50 C ATOM 817 O ASP A 56 64.854 118.105 69.821 1.00 37.75 O ATOM 818 CB ASP A 56 62.263 120.024 70.817 1.00 41.21 C ATOM 819 CG ASP A 56 61.630 120.784 69.650 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.366 121.194 68.767 1.00 45.04 O ATOM 821 OD2 ASP A 56 60.420 120.941 69.658 1.00 43.86 O ATOM 0 H ASP A 56 63.194 118.423 72.426 1.00 36.19 H new ATOM 0 HA ASP A 56 61.744 118.142 69.835 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.588 120.025 71.673 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.179 120.522 71.133 1.00 41.21 H new ATOM 826 N GLY A 57 63.589 118.968 68.233 1.00 37.51 N ATOM 827 CA GLY A 57 64.690 118.953 67.222 1.00 38.01 C ATOM 828 C GLY A 57 65.870 119.849 67.639 1.00 39.47 C ATOM 829 O GLY A 57 66.909 119.820 67.004 1.00 38.99 O ATOM 0 H GLY A 57 62.702 119.336 67.888 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.042 117.931 67.085 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.303 119.288 66.260 1.00 38.01 H new ATOM 833 N ASN A 58 65.748 120.627 68.694 1.00 0.00 N ATOM 834 CA ASN A 58 66.901 121.485 69.118 1.00 0.00 C ATOM 835 C ASN A 58 67.649 120.841 70.300 1.00 0.00 C ATOM 836 O ASN A 58 68.538 121.439 70.876 1.00 0.00 O ATOM 837 CB ASN A 58 66.288 122.827 69.518 1.00 0.00 C ATOM 838 CG ASN A 58 65.597 123.455 68.307 1.00 0.00 C ATOM 839 OD1 ASN A 58 64.420 123.756 68.352 1.00 0.00 O ATOM 840 ND2 ASN A 58 66.283 123.667 67.217 1.00 0.00 N ATOM 0 H ASN A 58 64.911 120.703 69.271 1.00 0.00 H new ATOM 0 HA ASN A 58 67.633 121.606 68.320 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.570 122.684 70.326 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.063 123.495 69.894 1.00 0.00 H new ATOM 0 HD21 ASN A 58 65.832 124.085 66.403 1.00 0.00 H new ATOM 0 HD22 ASN A 58 67.271 123.415 67.179 1.00 0.00 H new ATOM 847 N GLY A 59 67.310 119.620 70.651 1.00 0.00 N ATOM 848 CA GLY A 59 68.014 118.932 71.774 1.00 0.00 C ATOM 849 C GLY A 59 67.294 119.175 73.105 1.00 0.00 C ATOM 850 O GLY A 59 67.462 118.424 74.046 1.00 0.00 O ATOM 0 H GLY A 59 66.574 119.073 70.204 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.065 117.862 71.574 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.040 119.293 71.840 1.00 0.00 H new ATOM 854 N ARG A 60 66.497 120.215 73.199 1.00 49.10 N ATOM 855 CA ARG A 60 65.777 120.488 74.486 1.00 50.05 C ATOM 856 C ARG A 60 64.871 119.302 74.836 1.00 49.79 C ATOM 857 O ARG A 60 64.265 118.702 73.968 1.00 48.27 O ATOM 858 CB ARG A 60 64.938 121.747 74.223 1.00 52.38 C ATOM 859 CG ARG A 60 65.553 122.952 74.950 1.00 55.08 C ATOM 860 CD ARG A 60 66.201 123.899 73.932 1.00 57.97 C ATOM 861 NE ARG A 60 65.093 124.323 73.027 1.00 60.72 N ATOM 862 CZ ARG A 60 65.301 125.246 72.130 1.00 61.65 C ATOM 863 NH1 ARG A 60 65.972 126.321 72.442 1.00 61.80 N ATOM 864 NH2 ARG A 60 64.839 125.094 70.919 1.00 62.78 N ATOM 0 H ARG A 60 66.315 120.881 72.448 1.00 49.10 H new ATOM 0 HA ARG A 60 66.463 120.630 75.322 1.00 50.05 H new ATOM 0 HB2 ARG A 60 64.890 121.944 73.152 1.00 52.38 H new ATOM 0 HB3 ARG A 60 63.915 121.590 74.564 1.00 52.38 H new ATOM 0 HG2 ARG A 60 64.783 123.480 75.513 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.298 122.613 75.670 1.00 55.08 H new ATOM 0 HD2 ARG A 60 66.655 124.758 74.427 1.00 57.97 H new ATOM 0 HD3 ARG A 60 66.993 123.397 73.376 1.00 57.97 H new ATOM 0 HE ARG A 60 64.173 123.891 73.110 1.00 60.72 H new ATOM 0 HH11 ARG A 60 66.334 126.439 73.388 1.00 61.80 H new ATOM 0 HH12 ARG A 60 66.134 127.043 71.740 1.00 61.80 H new ATOM 0 HH21 ARG A 60 64.315 124.253 70.675 1.00 62.78 H new ATOM 0 HH22 ARG A 60 65.001 125.816 70.217 1.00 62.78 H new ATOM 878 N THR A 61 64.790 118.948 76.097 1.00 0.00 N ATOM 879 CA THR A 61 63.938 117.785 76.492 1.00 0.00 C ATOM 880 C THR A 61 62.940 118.191 77.579 1.00 0.00 C ATOM 881 O THR A 61 63.271 118.933 78.485 1.00 0.00 O ATOM 882 CB THR A 61 64.926 116.756 77.051 1.00 0.00 C ATOM 883 OG1 THR A 61 65.595 117.309 78.175 1.00 0.00 O ATOM 884 CG2 THR A 61 65.955 116.376 75.981 1.00 0.00 C ATOM 0 H THR A 61 65.275 119.412 76.865 1.00 0.00 H new ATOM 0 HA THR A 61 63.356 117.401 75.654 1.00 0.00 H new ATOM 0 HB THR A 61 64.379 115.862 77.350 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.003 117.946 78.627 1.00 0.00 H new ATOM 0 HG21 THR A 61 66.652 115.644 76.390 1.00 0.00 H new ATOM 0 HG22 THR A 61 65.443 115.947 75.120 1.00 0.00 H new ATOM 0 HG23 THR A 61 66.503 117.266 75.671 1.00 0.00 H new ATOM 892 N GLU A 62 61.725 117.709 77.501 1.00 0.00 N ATOM 893 CA GLU A 62 60.709 118.066 78.536 1.00 0.00 C ATOM 894 C GLU A 62 60.144 116.795 79.176 1.00 0.00 C ATOM 895 O GLU A 62 59.579 115.947 78.509 1.00 0.00 O ATOM 896 CB GLU A 62 59.615 118.819 77.777 1.00 0.00 C ATOM 897 CG GLU A 62 58.639 119.448 78.776 1.00 0.00 C ATOM 898 CD GLU A 62 59.360 120.522 79.595 1.00 0.00 C ATOM 899 OE1 GLU A 62 60.257 121.151 79.056 1.00 0.00 O ATOM 900 OE2 GLU A 62 59.001 120.698 80.748 1.00 0.00 O ATOM 0 H GLU A 62 61.394 117.084 76.766 1.00 0.00 H new ATOM 0 HA GLU A 62 61.131 118.668 79.341 1.00 0.00 H new ATOM 0 HB2 GLU A 62 60.059 119.592 77.150 1.00 0.00 H new ATOM 0 HB3 GLU A 62 59.083 118.137 77.113 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.794 119.887 78.246 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.236 118.681 79.438 1.00 0.00 H new ATOM 907 N GLN A 63 60.307 116.658 80.467 1.00 0.00 N ATOM 908 CA GLN A 63 59.798 115.446 81.174 1.00 0.00 C ATOM 909 C GLN A 63 58.531 115.771 81.970 1.00 0.00 C ATOM 910 O GLN A 63 58.459 116.773 82.656 1.00 0.00 O ATOM 911 CB GLN A 63 60.929 115.064 82.129 1.00 0.00 C ATOM 912 CG GLN A 63 62.122 114.544 81.325 1.00 0.00 C ATOM 913 CD GLN A 63 63.258 114.172 82.281 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.551 113.008 82.471 1.00 0.00 O ATOM 915 NE2 GLN A 63 63.914 115.118 82.895 1.00 0.00 N ATOM 0 H GLN A 63 60.774 117.339 81.065 1.00 0.00 H new ATOM 0 HA GLN A 63 59.536 114.646 80.481 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.226 115.929 82.722 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.587 114.300 82.828 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.827 113.674 80.738 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.459 115.305 80.621 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.668 116.095 82.736 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.673 114.880 83.534 1.00 0.00 H new ATOM 924 N VAL A 64 57.536 114.926 81.885 1.00 37.94 N ATOM 925 CA VAL A 64 56.269 115.173 82.637 1.00 37.05 C ATOM 926 C VAL A 64 55.897 113.930 83.452 1.00 36.89 C ATOM 927 O VAL A 64 55.886 112.824 82.951 1.00 36.32 O ATOM 928 CB VAL A 64 55.211 115.470 81.570 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.862 115.742 82.240 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.631 116.703 80.763 1.00 35.74 C ATOM 0 H VAL A 64 57.546 114.073 81.326 1.00 37.94 H new ATOM 0 HA VAL A 64 56.359 115.999 83.342 1.00 37.05 H new ATOM 0 HB VAL A 64 55.120 114.610 80.907 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.113 115.953 81.477 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.558 114.867 82.815 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.953 116.600 82.906 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.878 116.915 80.004 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.724 117.560 81.430 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.590 116.513 80.280 1.00 35.74 H new ATOM 940 N ASP A 65 55.603 114.119 84.712 1.00 0.00 N ATOM 941 CA ASP A 65 55.242 112.968 85.595 1.00 0.00 C ATOM 942 C ASP A 65 53.879 113.206 86.253 1.00 0.00 C ATOM 943 O ASP A 65 53.648 114.231 86.867 1.00 0.00 O ATOM 944 CB ASP A 65 56.351 112.917 86.655 1.00 0.00 C ATOM 945 CG ASP A 65 56.409 114.242 87.425 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.634 115.263 86.795 1.00 0.00 O ATOM 947 OD2 ASP A 65 56.227 114.211 88.630 1.00 0.00 O ATOM 0 H ASP A 65 55.597 115.029 85.172 1.00 0.00 H new ATOM 0 HA ASP A 65 55.164 112.033 85.040 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.166 112.094 87.346 1.00 0.00 H new ATOM 0 HB3 ASP A 65 57.312 112.723 86.178 1.00 0.00 H new ATOM 952 N GLY A 66 52.981 112.261 86.134 1.00 31.82 N ATOM 953 CA GLY A 66 51.634 112.418 86.757 1.00 29.07 C ATOM 954 C GLY A 66 51.091 111.040 87.141 1.00 27.67 C ATOM 955 O GLY A 66 51.410 110.044 86.519 1.00 27.18 O ATOM 0 H GLY A 66 53.124 111.386 85.631 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.701 113.054 87.640 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.954 112.909 86.061 1.00 29.07 H new ATOM 959 N GLU A 67 50.273 110.978 88.161 1.00 0.00 N ATOM 960 CA GLU A 67 49.704 109.665 88.595 1.00 0.00 C ATOM 961 C GLU A 67 48.537 109.267 87.687 1.00 0.00 C ATOM 962 O GLU A 67 47.910 110.104 87.067 1.00 0.00 O ATOM 963 CB GLU A 67 49.215 109.894 90.025 1.00 0.00 C ATOM 964 CG GLU A 67 50.418 110.069 90.954 1.00 0.00 C ATOM 965 CD GLU A 67 49.929 110.298 92.386 1.00 0.00 C ATOM 966 OE1 GLU A 67 49.555 111.418 92.691 1.00 0.00 O ATOM 967 OE2 GLU A 67 49.939 109.349 93.153 1.00 0.00 O ATOM 0 H GLU A 67 49.974 111.782 88.713 1.00 0.00 H new ATOM 0 HA GLU A 67 50.438 108.861 88.540 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.579 110.778 90.066 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.609 109.050 90.353 1.00 0.00 H new ATOM 0 HG2 GLU A 67 51.054 109.185 90.913 1.00 0.00 H new ATOM 0 HG3 GLU A 67 51.024 110.913 90.626 1.00 0.00 H new ATOM 974 N GLY A 68 48.235 107.993 87.614 1.00 22.62 N ATOM 975 CA GLY A 68 47.099 107.520 86.761 1.00 22.36 C ATOM 976 C GLY A 68 47.217 108.069 85.335 1.00 20.38 C ATOM 977 O GLY A 68 48.191 108.700 84.977 1.00 21.93 O ATOM 0 H GLY A 68 48.731 107.255 88.113 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.088 106.430 86.735 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.153 107.838 87.200 1.00 22.36 H new ATOM 981 N VAL A 69 46.215 107.834 84.530 1.00 17.51 N ATOM 982 CA VAL A 69 46.223 108.335 83.120 1.00 15.40 C ATOM 983 C VAL A 69 44.908 109.059 82.825 1.00 17.02 C ATOM 984 O VAL A 69 43.837 108.546 83.058 1.00 17.35 O ATOM 985 CB VAL A 69 46.380 107.098 82.219 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.794 106.540 82.365 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.363 106.016 82.606 1.00 8.21 C ATOM 0 H VAL A 69 45.380 107.310 84.791 1.00 17.51 H new ATOM 0 HA VAL A 69 47.034 109.042 82.946 1.00 15.40 H new ATOM 0 HB VAL A 69 46.202 107.393 81.185 1.00 12.26 H new ATOM 0 HG11 VAL A 69 47.907 105.663 81.727 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.517 107.300 82.069 1.00 8.73 H new ATOM 0 HG13 VAL A 69 47.968 106.258 83.403 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.490 105.149 81.958 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.523 105.720 83.643 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.353 106.409 82.493 1.00 8.21 H new ATOM 997 N VAL A 70 45.011 110.266 82.325 1.00 17.68 N ATOM 998 CA VAL A 70 43.812 111.117 81.996 1.00 16.81 C ATOM 999 C VAL A 70 42.716 111.011 83.081 1.00 17.08 C ATOM 1000 O VAL A 70 41.536 111.067 82.799 1.00 16.77 O ATOM 1001 CB VAL A 70 43.308 110.675 80.605 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.460 110.701 79.596 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.720 109.265 80.666 1.00 20.55 C ATOM 0 H VAL A 70 45.904 110.715 82.123 1.00 17.68 H new ATOM 0 HA VAL A 70 44.087 112.172 81.974 1.00 16.81 H new ATOM 0 HB VAL A 70 42.530 111.369 80.289 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.094 110.388 78.618 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.860 111.712 79.527 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.246 110.021 79.924 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.371 108.973 79.676 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.486 108.566 81.001 1.00 20.55 H new ATOM 0 HG23 VAL A 70 41.883 109.250 81.365 1.00 20.55 H new ATOM 1013 N GLY A 71 43.123 110.905 84.323 1.00 17.30 N ATOM 1014 CA GLY A 71 42.147 110.846 85.459 1.00 16.44 C ATOM 1015 C GLY A 71 41.588 109.434 85.698 1.00 18.03 C ATOM 1016 O GLY A 71 40.586 109.282 86.374 1.00 18.29 O ATOM 0 H GLY A 71 44.103 110.856 84.602 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.635 111.196 86.369 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.321 111.528 85.257 1.00 16.44 H new ATOM 1020 N GLU A 72 42.209 108.403 85.174 1.00 0.00 N ATOM 1021 CA GLU A 72 41.668 107.023 85.418 1.00 0.00 C ATOM 1022 C GLU A 72 42.785 105.979 85.528 1.00 0.00 C ATOM 1023 O GLU A 72 43.841 106.104 84.941 1.00 0.00 O ATOM 1024 CB GLU A 72 40.751 106.709 84.233 1.00 0.00 C ATOM 1025 CG GLU A 72 41.540 106.775 82.930 1.00 0.00 C ATOM 1026 CD GLU A 72 40.687 106.221 81.788 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.577 105.010 81.691 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.156 107.017 81.031 1.00 0.00 O ATOM 0 H GLU A 72 43.050 108.452 84.599 1.00 0.00 H new ATOM 0 HA GLU A 72 41.131 106.987 86.366 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.314 105.718 84.353 1.00 0.00 H new ATOM 0 HB3 GLU A 72 39.925 107.420 84.204 1.00 0.00 H new ATOM 0 HG2 GLU A 72 41.826 107.805 82.718 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.462 106.200 83.021 1.00 0.00 H new ATOM 1035 N GLN A 73 42.532 104.942 86.282 1.00 13.09 N ATOM 1036 CA GLN A 73 43.528 103.847 86.466 1.00 15.45 C ATOM 1037 C GLN A 73 42.962 102.552 85.862 1.00 15.30 C ATOM 1038 O GLN A 73 42.511 101.679 86.579 1.00 16.40 O ATOM 1039 CB GLN A 73 43.675 103.708 87.982 1.00 18.12 C ATOM 1040 CG GLN A 73 44.421 104.925 88.537 1.00 18.21 C ATOM 1041 CD GLN A 73 44.341 104.922 90.064 1.00 16.98 C ATOM 1042 OE1 GLN A 73 43.414 105.460 90.636 1.00 18.14 O ATOM 1043 NE2 GLN A 73 45.278 104.333 90.754 1.00 14.04 N ATOM 0 H GLN A 73 41.657 104.806 86.789 1.00 13.09 H new ATOM 0 HA GLN A 73 44.484 104.050 85.983 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.693 103.627 88.447 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.218 102.794 88.223 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.463 104.903 88.217 1.00 18.21 H new ATOM 0 HG3 GLN A 73 43.986 105.843 88.142 1.00 18.21 H new ATOM 0 HE21 GLN A 73 46.057 103.881 90.275 1.00 14.04 H new ATOM 0 HE22 GLN A 73 45.232 104.324 91.773 1.00 14.04 H new ATOM 1052 N PRO A 74 42.976 102.487 84.548 1.00 15.25 N ATOM 1053 CA PRO A 74 42.412 101.279 83.878 1.00 16.63 C ATOM 1054 C PRO A 74 43.104 99.989 84.334 1.00 17.41 C ATOM 1055 O PRO A 74 44.310 99.932 84.495 1.00 17.61 O ATOM 1056 CB PRO A 74 42.669 101.523 82.393 1.00 16.18 C ATOM 1057 CG PRO A 74 43.831 102.452 82.355 1.00 16.38 C ATOM 1058 CD PRO A 74 43.738 103.308 83.586 1.00 13.89 C ATOM 0 HA PRO A 74 41.357 101.144 84.117 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.890 100.592 81.872 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.797 101.961 81.907 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.769 101.898 82.339 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.807 103.065 81.454 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.726 103.557 83.972 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.230 104.250 83.378 1.00 13.89 H new ATOM 1066 N TRP A 75 42.330 98.950 84.517 1.00 0.00 N ATOM 1067 CA TRP A 75 42.893 97.631 84.936 1.00 0.00 C ATOM 1068 C TRP A 75 42.938 96.709 83.716 1.00 0.00 C ATOM 1069 O TRP A 75 42.088 95.857 83.539 1.00 0.00 O ATOM 1070 CB TRP A 75 41.911 97.097 85.980 1.00 0.00 C ATOM 1071 CG TRP A 75 42.610 96.124 86.874 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.468 96.458 87.865 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.525 94.670 86.879 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.918 95.302 88.476 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.364 94.173 87.905 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.810 93.740 86.102 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.490 92.806 88.151 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.934 92.363 86.346 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.772 91.896 87.369 1.00 0.00 C ATOM 0 H TRP A 75 41.318 98.960 84.392 1.00 0.00 H new ATOM 0 HA TRP A 75 43.903 97.701 85.340 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.506 97.921 86.568 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.068 96.613 85.487 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.755 97.464 88.135 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.578 95.285 89.253 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.161 94.088 85.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.138 92.453 88.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.381 91.659 85.742 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.863 90.836 87.552 1.00 0.00 H new ATOM 1090 N LEU A 76 43.904 96.902 82.859 1.00 18.07 N ATOM 1091 CA LEU A 76 43.995 96.067 81.621 1.00 17.96 C ATOM 1092 C LEU A 76 44.146 94.581 81.944 1.00 19.47 C ATOM 1093 O LEU A 76 45.119 94.156 82.537 1.00 20.57 O ATOM 1094 CB LEU A 76 45.232 96.575 80.881 1.00 16.79 C ATOM 1095 CG LEU A 76 44.825 97.666 79.891 1.00 17.27 C ATOM 1096 CD1 LEU A 76 46.075 98.253 79.240 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.925 97.066 78.806 1.00 15.14 C ATOM 0 H LEU A 76 44.637 97.603 82.961 1.00 18.07 H new ATOM 0 HA LEU A 76 43.086 96.155 81.026 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.958 96.968 81.593 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.716 95.753 80.353 1.00 16.79 H new ATOM 0 HG LEU A 76 44.284 98.450 80.421 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.786 99.031 78.534 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.719 98.681 80.009 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.614 97.466 78.712 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.636 97.845 78.101 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.466 96.281 78.277 1.00 15.14 H new ATOM 0 HD23 LEU A 76 43.032 96.644 79.267 1.00 15.14 H new ATOM 1109 N ARG A 77 43.195 93.790 81.522 1.00 0.00 N ATOM 1110 CA ARG A 77 43.270 92.320 81.755 1.00 0.00 C ATOM 1111 C ARG A 77 44.084 91.691 80.619 1.00 0.00 C ATOM 1112 O ARG A 77 44.187 92.274 79.556 1.00 0.00 O ATOM 1113 CB ARG A 77 41.817 91.840 81.718 1.00 0.00 C ATOM 1114 CG ARG A 77 41.030 92.503 82.849 1.00 0.00 C ATOM 1115 CD ARG A 77 39.537 92.222 82.667 1.00 0.00 C ATOM 1116 NE ARG A 77 38.851 93.445 83.168 1.00 0.00 N ATOM 1117 CZ ARG A 77 37.724 93.341 83.818 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.709 92.836 85.021 1.00 0.00 N ATOM 1119 NH2 ARG A 77 36.613 93.744 83.265 1.00 0.00 N ATOM 0 H ARG A 77 42.363 94.103 81.022 1.00 0.00 H new ATOM 0 HA ARG A 77 43.749 92.052 82.697 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.367 92.085 80.756 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.779 90.756 81.821 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.367 92.122 83.813 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.211 93.578 82.850 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.295 92.034 81.621 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.230 91.339 83.228 1.00 0.00 H new ATOM 0 HE ARG A 77 39.262 94.364 83.003 1.00 0.00 H new ATOM 0 HH11 ARG A 77 38.578 92.523 85.453 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.828 92.755 85.529 1.00 0.00 H new ATOM 0 HH21 ARG A 77 36.626 94.140 82.325 1.00 0.00 H new ATOM 0 HH22 ARG A 77 35.732 93.663 83.773 1.00 0.00 H new ATOM 1133 N PRO A 78 44.646 90.528 80.868 1.00 23.86 N ATOM 1134 CA PRO A 78 45.457 89.885 79.785 1.00 24.22 C ATOM 1135 C PRO A 78 44.649 89.768 78.482 1.00 24.36 C ATOM 1136 O PRO A 78 43.544 89.260 78.461 1.00 22.27 O ATOM 1137 CB PRO A 78 45.812 88.512 80.343 1.00 25.39 C ATOM 1138 CG PRO A 78 44.748 88.227 81.346 1.00 27.04 C ATOM 1139 CD PRO A 78 44.350 89.555 81.935 1.00 25.13 C ATOM 0 HA PRO A 78 46.342 90.467 79.528 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.828 87.757 79.557 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.800 88.515 80.803 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.894 87.739 80.877 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.115 87.553 82.120 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.294 89.570 82.206 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.915 89.774 82.841 1.00 25.13 H new ATOM 1147 N GLY A 79 45.213 90.241 77.399 1.00 24.74 N ATOM 1148 CA GLY A 79 44.512 90.172 76.082 1.00 23.79 C ATOM 1149 C GLY A 79 43.653 91.428 75.856 1.00 23.44 C ATOM 1150 O GLY A 79 43.259 91.715 74.741 1.00 22.44 O ATOM 0 H GLY A 79 46.136 90.675 77.372 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.244 90.077 75.280 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.882 89.283 76.046 1.00 23.79 H new ATOM 1154 N GLU A 80 43.360 92.181 76.894 1.00 23.31 N ATOM 1155 CA GLU A 80 42.529 93.414 76.719 1.00 21.90 C ATOM 1156 C GLU A 80 43.414 94.612 76.357 1.00 20.95 C ATOM 1157 O GLU A 80 44.622 94.566 76.491 1.00 19.52 O ATOM 1158 CB GLU A 80 41.851 93.638 78.070 1.00 23.06 C ATOM 1159 CG GLU A 80 40.596 94.494 77.880 1.00 23.88 C ATOM 1160 CD GLU A 80 39.856 94.633 79.214 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.955 93.726 80.026 1.00 29.38 O ATOM 1162 OE2 GLU A 80 39.203 95.646 79.402 1.00 25.91 O ATOM 0 H GLU A 80 43.660 91.994 77.851 1.00 23.31 H new ATOM 0 HA GLU A 80 41.803 93.304 75.913 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.586 92.680 78.518 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.539 94.131 78.756 1.00 23.06 H new ATOM 0 HG2 GLU A 80 40.870 95.479 77.501 1.00 23.88 H new ATOM 0 HG3 GLU A 80 39.942 94.037 77.137 1.00 23.88 H new ATOM 1169 N ALA A 81 42.813 95.682 75.895 1.00 0.00 N ATOM 1170 CA ALA A 81 43.605 96.891 75.514 1.00 0.00 C ATOM 1171 C ALA A 81 42.814 98.163 75.844 1.00 0.00 C ATOM 1172 O ALA A 81 41.599 98.180 75.790 1.00 0.00 O ATOM 1173 CB ALA A 81 43.825 96.765 74.007 1.00 0.00 C ATOM 0 H ALA A 81 41.805 95.769 75.765 1.00 0.00 H new ATOM 0 HA ALA A 81 44.549 96.956 76.055 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.401 97.619 73.651 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.370 95.845 73.795 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.861 96.741 73.499 1.00 0.00 H new ATOM 1179 N PHE A 82 43.499 99.231 76.169 1.00 18.56 N ATOM 1180 CA PHE A 82 42.804 100.515 76.487 1.00 17.00 C ATOM 1181 C PHE A 82 43.247 101.589 75.486 1.00 16.61 C ATOM 1182 O PHE A 82 44.378 101.587 75.039 1.00 15.77 O ATOM 1183 CB PHE A 82 43.256 100.870 77.907 1.00 13.41 C ATOM 1184 CG PHE A 82 42.622 102.174 78.333 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.338 102.178 78.891 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.315 103.378 78.166 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.747 103.385 79.282 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.725 104.586 78.557 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.442 104.589 79.115 1.00 9.06 C ATOM 0 H PHE A 82 44.517 99.268 76.228 1.00 18.56 H new ATOM 0 HA PHE A 82 41.718 100.440 76.423 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.975 100.075 78.598 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.342 100.954 77.943 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.803 101.249 79.020 1.00 10.24 H new ATOM 0 HD2 PHE A 82 44.305 103.376 77.735 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.756 103.388 79.712 1.00 10.01 H new ATOM 0 HE2 PHE A 82 43.260 105.515 78.428 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.987 105.521 79.417 1.00 9.06 H new ATOM 1199 N HIS A 83 42.375 102.500 75.125 1.00 0.00 N ATOM 1200 CA HIS A 83 42.771 103.559 74.145 1.00 0.00 C ATOM 1201 C HIS A 83 42.068 104.889 74.453 1.00 0.00 C ATOM 1202 O HIS A 83 40.904 104.921 74.804 1.00 0.00 O ATOM 1203 CB HIS A 83 42.337 103.021 72.775 1.00 0.00 C ATOM 1204 CG HIS A 83 40.849 102.779 72.759 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.934 103.812 72.622 1.00 0.00 N ATOM 1206 CD2 HIS A 83 40.105 101.631 72.860 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.703 103.269 72.644 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.750 101.942 72.787 1.00 0.00 N ATOM 0 H HIS A 83 41.414 102.556 75.463 1.00 0.00 H new ATOM 0 HA HIS A 83 43.841 103.764 74.185 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.606 103.733 71.995 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.866 102.094 72.556 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.509 100.636 72.978 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.789 103.837 72.557 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.962 101.295 72.833 1.00 0.00 H new ATOM 1216 N TYR A 84 42.770 105.986 74.301 1.00 21.96 N ATOM 1217 CA TYR A 84 42.155 107.324 74.557 1.00 22.81 C ATOM 1218 C TYR A 84 42.834 108.386 73.680 1.00 25.11 C ATOM 1219 O TYR A 84 43.932 108.186 73.195 1.00 26.65 O ATOM 1220 CB TYR A 84 42.359 107.599 76.058 1.00 19.35 C ATOM 1221 CG TYR A 84 43.827 107.792 76.380 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.629 106.687 76.686 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.379 109.078 76.380 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.982 106.868 76.992 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.732 109.260 76.687 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.533 108.154 76.993 1.00 12.19 C ATOM 1227 OH TYR A 84 47.868 108.333 77.295 1.00 13.46 O ATOM 0 H TYR A 84 43.747 106.011 74.009 1.00 21.96 H new ATOM 0 HA TYR A 84 41.094 107.351 74.307 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.799 108.488 76.348 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.961 106.768 76.641 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.203 105.694 76.686 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.760 109.931 76.143 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.601 106.015 77.227 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.158 110.253 76.688 1.00 14.00 H new ATOM 0 HH TYR A 84 48.089 109.287 77.249 1.00 13.46 H new ATOM 1237 N THR A 85 42.188 109.506 73.468 1.00 26.58 N ATOM 1238 CA THR A 85 42.795 110.574 72.614 1.00 26.99 C ATOM 1239 C THR A 85 43.421 111.670 73.483 1.00 28.14 C ATOM 1240 O THR A 85 42.838 112.116 74.453 1.00 27.02 O ATOM 1241 CB THR A 85 41.630 111.136 71.796 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.008 110.081 71.076 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.154 112.187 70.815 1.00 21.76 C ATOM 0 H THR A 85 41.268 109.727 73.849 1.00 26.58 H new ATOM 0 HA THR A 85 43.592 110.187 71.980 1.00 26.99 H new ATOM 0 HB THR A 85 40.904 111.597 72.465 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.260 110.438 70.553 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.324 112.587 70.233 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.632 112.995 71.369 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.880 111.728 70.144 1.00 21.76 H new ATOM 1251 N SER A 86 44.608 112.105 73.135 1.00 29.06 N ATOM 1252 CA SER A 86 45.284 113.174 73.931 1.00 29.05 C ATOM 1253 C SER A 86 45.670 114.345 73.018 1.00 29.43 C ATOM 1254 O SER A 86 45.641 114.221 71.803 1.00 29.12 O ATOM 1255 CB SER A 86 46.536 112.505 74.487 1.00 29.12 C ATOM 1256 OG SER A 86 47.352 113.489 75.106 1.00 33.88 O ATOM 0 H SER A 86 45.138 111.764 72.333 1.00 29.06 H new ATOM 0 HA SER A 86 44.645 113.577 74.717 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.262 111.735 75.209 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.085 112.010 73.686 1.00 29.12 H new ATOM 0 HG SER A 86 48.231 113.505 74.673 1.00 33.88 H new ATOM 1262 N GLY A 87 46.043 115.473 73.577 1.00 29.08 N ATOM 1263 CA GLY A 87 46.433 116.635 72.720 1.00 29.89 C ATOM 1264 C GLY A 87 47.734 117.268 73.233 1.00 31.80 C ATOM 1265 O GLY A 87 47.867 117.577 74.401 1.00 31.40 O ATOM 0 H GLY A 87 46.094 115.637 74.582 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.563 116.307 71.689 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.636 117.378 72.719 1.00 29.89 H new ATOM 1269 N VAL A 88 48.683 117.473 72.355 1.00 0.00 N ATOM 1270 CA VAL A 88 49.982 118.105 72.761 1.00 0.00 C ATOM 1271 C VAL A 88 50.377 119.179 71.744 1.00 0.00 C ATOM 1272 O VAL A 88 50.068 119.077 70.572 1.00 0.00 O ATOM 1273 CB VAL A 88 51.029 116.981 72.779 1.00 0.00 C ATOM 1274 CG1 VAL A 88 50.750 116.037 73.948 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.990 116.195 71.462 1.00 0.00 C ATOM 0 H VAL A 88 48.616 117.229 71.367 1.00 0.00 H new ATOM 0 HA VAL A 88 49.904 118.583 73.738 1.00 0.00 H new ATOM 0 HB VAL A 88 52.018 117.424 72.896 1.00 0.00 H new ATOM 0 HG11 VAL A 88 51.494 115.241 73.958 1.00 0.00 H new ATOM 0 HG12 VAL A 88 50.800 116.593 74.884 1.00 0.00 H new ATOM 0 HG13 VAL A 88 49.756 115.603 73.836 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.737 115.402 71.489 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.001 115.757 71.329 1.00 0.00 H new ATOM 0 HG23 VAL A 88 51.204 116.867 70.631 1.00 0.00 H new ATOM 1285 N LEU A 89 51.051 120.210 72.188 1.00 0.00 N ATOM 1286 CA LEU A 89 51.461 121.299 71.251 1.00 0.00 C ATOM 1287 C LEU A 89 52.986 121.328 71.093 1.00 0.00 C ATOM 1288 O LEU A 89 53.720 121.074 72.029 1.00 0.00 O ATOM 1289 CB LEU A 89 50.965 122.590 71.902 1.00 0.00 C ATOM 1290 CG LEU A 89 49.436 122.632 71.856 1.00 0.00 C ATOM 1291 CD1 LEU A 89 48.869 122.067 73.160 1.00 0.00 C ATOM 1292 CD2 LEU A 89 48.971 124.080 71.685 1.00 0.00 C ATOM 0 H LEU A 89 51.335 120.344 73.158 1.00 0.00 H new ATOM 0 HA LEU A 89 51.046 121.158 70.253 1.00 0.00 H new ATOM 0 HB2 LEU A 89 51.310 122.644 72.935 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.379 123.454 71.382 1.00 0.00 H new ATOM 0 HG LEU A 89 49.082 122.033 71.017 1.00 0.00 H new ATOM 0 HD11 LEU A 89 47.780 122.097 73.126 1.00 0.00 H new ATOM 0 HD12 LEU A 89 49.200 121.036 73.284 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.223 122.665 74.000 1.00 0.00 H new ATOM 0 HD21 LEU A 89 47.882 124.111 71.652 1.00 0.00 H new ATOM 0 HD22 LEU A 89 49.326 124.678 72.525 1.00 0.00 H new ATOM 0 HD23 LEU A 89 49.374 124.484 70.756 1.00 0.00 H new ATOM 1304 N LEU A 90 53.460 121.636 69.913 1.00 37.85 N ATOM 1305 CA LEU A 90 54.936 121.683 69.680 1.00 36.74 C ATOM 1306 C LEU A 90 55.344 123.073 69.184 1.00 35.30 C ATOM 1307 O LEU A 90 54.595 123.731 68.485 1.00 35.10 O ATOM 1308 CB LEU A 90 55.204 120.627 68.609 1.00 38.41 C ATOM 1309 CG LEU A 90 55.237 119.243 69.259 1.00 38.68 C ATOM 1310 CD1 LEU A 90 55.257 118.164 68.173 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.495 119.118 70.124 1.00 38.08 C ATOM 0 H LEU A 90 52.887 121.858 69.098 1.00 37.85 H new ATOM 0 HA LEU A 90 55.506 121.489 70.589 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.428 120.664 67.844 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.152 120.830 68.111 1.00 38.41 H new ATOM 0 HG LEU A 90 54.351 119.114 69.880 1.00 38.68 H new ATOM 0 HD11 LEU A 90 55.281 117.179 68.639 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.363 118.252 67.556 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.142 118.292 67.550 1.00 37.80 H new ATOM 0 HD21 LEU A 90 56.521 118.132 70.588 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.380 119.249 69.501 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.481 119.884 70.899 1.00 38.08 H new ATOM 1323 N GLU A 91 56.517 123.528 69.543 1.00 0.00 N ATOM 1324 CA GLU A 91 56.970 124.883 69.099 1.00 0.00 C ATOM 1325 C GLU A 91 57.440 124.848 67.640 1.00 0.00 C ATOM 1326 O GLU A 91 57.399 125.848 66.950 1.00 0.00 O ATOM 1327 CB GLU A 91 58.132 125.240 70.028 1.00 0.00 C ATOM 1328 CG GLU A 91 58.631 126.654 69.708 1.00 0.00 C ATOM 1329 CD GLU A 91 59.798 127.023 70.634 1.00 0.00 C ATOM 1330 OE1 GLU A 91 59.929 126.403 71.680 1.00 0.00 O ATOM 1331 OE2 GLU A 91 60.539 127.927 70.284 1.00 0.00 O ATOM 0 H GLU A 91 57.182 123.020 70.125 1.00 0.00 H new ATOM 0 HA GLU A 91 56.165 125.616 69.149 1.00 0.00 H new ATOM 0 HB2 GLU A 91 57.810 125.184 71.068 1.00 0.00 H new ATOM 0 HB3 GLU A 91 58.942 124.521 69.906 1.00 0.00 H new ATOM 0 HG2 GLU A 91 58.951 126.708 68.667 1.00 0.00 H new ATOM 0 HG3 GLU A 91 57.819 127.371 69.830 1.00 0.00 H new ATOM 1338 N THR A 92 57.886 123.710 67.169 1.00 31.63 N ATOM 1339 CA THR A 92 58.359 123.622 65.752 1.00 28.98 C ATOM 1340 C THR A 92 57.580 122.545 64.992 1.00 28.33 C ATOM 1341 O THR A 92 56.813 121.796 65.568 1.00 29.20 O ATOM 1342 CB THR A 92 59.842 123.257 65.843 1.00 29.53 C ATOM 1343 OG1 THR A 92 59.983 122.025 66.537 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.597 124.357 66.594 1.00 25.50 C ATOM 0 H THR A 92 57.943 122.842 67.701 1.00 31.63 H new ATOM 0 HA THR A 92 58.206 124.557 65.212 1.00 28.98 H new ATOM 0 HB THR A 92 60.254 123.159 64.839 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.131 121.302 65.893 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.653 124.095 66.658 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.489 125.302 66.061 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.187 124.459 67.599 1.00 25.50 H new ATOM 1352 N GLU A 93 57.765 122.476 63.698 1.00 0.00 N ATOM 1353 CA GLU A 93 57.031 121.462 62.879 1.00 0.00 C ATOM 1354 C GLU A 93 57.771 120.117 62.851 1.00 0.00 C ATOM 1355 O GLU A 93 57.426 119.237 62.084 1.00 0.00 O ATOM 1356 CB GLU A 93 56.980 122.066 61.474 1.00 0.00 C ATOM 1357 CG GLU A 93 55.912 121.346 60.643 1.00 0.00 C ATOM 1358 CD GLU A 93 55.852 121.943 59.230 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.306 123.063 59.053 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.345 121.270 58.349 1.00 0.00 O ATOM 0 H GLU A 93 58.395 123.080 63.171 1.00 0.00 H new ATOM 0 HA GLU A 93 56.042 121.255 63.288 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.753 123.130 61.533 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.953 121.974 60.992 1.00 0.00 H new ATOM 0 HG2 GLU A 93 56.140 120.282 60.587 1.00 0.00 H new ATOM 0 HG3 GLU A 93 54.940 121.439 61.127 1.00 0.00 H new ATOM 1367 N GLN A 94 58.775 119.938 63.679 1.00 0.00 N ATOM 1368 CA GLN A 94 59.515 118.640 63.687 1.00 0.00 C ATOM 1369 C GLN A 94 59.859 118.253 65.127 1.00 0.00 C ATOM 1370 O GLN A 94 60.115 119.116 65.949 1.00 0.00 O ATOM 1371 CB GLN A 94 60.790 118.907 62.886 1.00 0.00 C ATOM 1372 CG GLN A 94 60.434 119.093 61.409 1.00 0.00 C ATOM 1373 CD GLN A 94 61.709 119.360 60.607 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.734 118.756 60.851 1.00 0.00 O ATOM 1375 NE2 GLN A 94 61.689 120.248 59.650 1.00 0.00 N ATOM 0 H GLN A 94 59.111 120.633 64.346 1.00 0.00 H new ATOM 0 HA GLN A 94 58.933 117.823 63.261 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.291 119.798 63.265 1.00 0.00 H new ATOM 0 HB3 GLN A 94 61.486 118.076 63.002 1.00 0.00 H new ATOM 0 HG2 GLN A 94 59.933 118.202 61.030 1.00 0.00 H new ATOM 0 HG3 GLN A 94 59.738 119.924 61.293 1.00 0.00 H new ATOM 0 HE21 GLN A 94 60.829 120.756 59.444 1.00 0.00 H new ATOM 0 HE22 GLN A 94 62.533 120.433 59.109 1.00 0.00 H new ATOM 1384 N GLY A 95 59.872 116.980 65.454 1.00 27.89 N ATOM 1385 CA GLY A 95 60.208 116.598 66.860 1.00 28.05 C ATOM 1386 C GLY A 95 60.117 115.087 67.088 1.00 27.70 C ATOM 1387 O GLY A 95 59.377 114.379 66.435 1.00 25.89 O ATOM 0 H GLY A 95 59.669 116.206 64.822 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.216 116.939 67.096 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.531 117.108 67.545 1.00 28.05 H new ATOM 1391 N GLN A 96 60.875 114.610 68.041 1.00 0.00 N ATOM 1392 CA GLN A 96 60.872 113.156 68.386 1.00 0.00 C ATOM 1393 C GLN A 96 60.402 112.984 69.835 1.00 0.00 C ATOM 1394 O GLN A 96 60.886 113.654 70.729 1.00 0.00 O ATOM 1395 CB GLN A 96 62.332 112.722 68.246 1.00 0.00 C ATOM 1396 CG GLN A 96 62.451 111.224 68.539 1.00 0.00 C ATOM 1397 CD GLN A 96 63.911 110.791 68.399 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.798 111.411 68.953 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.202 109.744 67.675 1.00 0.00 N ATOM 0 H GLN A 96 61.508 115.177 68.605 1.00 0.00 H new ATOM 0 HA GLN A 96 60.209 112.568 67.751 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.691 112.936 67.239 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.958 113.289 68.935 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.092 111.010 69.546 1.00 0.00 H new ATOM 0 HG3 GLN A 96 61.825 110.657 67.850 1.00 0.00 H new ATOM 0 HE21 GLN A 96 63.459 109.223 67.210 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.173 109.447 67.575 1.00 0.00 H new ATOM 1408 N MET A 97 59.450 112.115 70.072 1.00 0.00 N ATOM 1409 CA MET A 97 58.938 111.929 71.465 1.00 0.00 C ATOM 1410 C MET A 97 58.981 110.457 71.891 1.00 0.00 C ATOM 1411 O MET A 97 58.379 109.603 71.267 1.00 0.00 O ATOM 1412 CB MET A 97 57.489 112.414 71.405 1.00 0.00 C ATOM 1413 CG MET A 97 57.464 113.908 71.073 1.00 0.00 C ATOM 1414 SD MET A 97 55.762 114.423 70.732 1.00 0.00 S ATOM 1415 CE MET A 97 55.132 114.274 72.421 1.00 0.00 C ATOM 0 H MET A 97 59.007 111.529 69.364 1.00 0.00 H new ATOM 0 HA MET A 97 59.543 112.473 72.191 1.00 0.00 H new ATOM 0 HB2 MET A 97 56.938 111.854 70.650 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.994 112.234 72.360 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.869 114.483 71.906 1.00 0.00 H new ATOM 0 HG3 MET A 97 58.096 114.110 70.208 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.042 114.250 72.402 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.507 113.354 72.869 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.466 115.128 73.011 1.00 0.00 H new ATOM 1425 N GLN A 98 59.668 110.158 72.965 1.00 0.00 N ATOM 1426 CA GLN A 98 59.743 108.754 73.471 1.00 0.00 C ATOM 1427 C GLN A 98 59.344 108.755 74.949 1.00 0.00 C ATOM 1428 O GLN A 98 59.565 109.734 75.640 1.00 0.00 O ATOM 1429 CB GLN A 98 61.212 108.355 73.316 1.00 0.00 C ATOM 1430 CG GLN A 98 61.383 106.880 73.687 1.00 0.00 C ATOM 1431 CD GLN A 98 62.840 106.467 73.480 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.746 107.192 73.840 1.00 0.00 O ATOM 1433 NE2 GLN A 98 63.106 105.323 72.909 1.00 0.00 N ATOM 0 H GLN A 98 60.187 110.838 73.520 1.00 0.00 H new ATOM 0 HA GLN A 98 59.086 108.066 72.939 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.539 108.523 72.290 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.838 108.977 73.956 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.093 106.719 74.725 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.728 106.262 73.073 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.345 104.715 72.607 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.075 105.038 72.765 1.00 0.00 H new ATOM 1442 N GLY A 99 58.757 107.690 75.449 1.00 29.62 N ATOM 1443 CA GLY A 99 58.358 107.693 76.894 1.00 28.62 C ATOM 1444 C GLY A 99 58.070 106.275 77.381 1.00 28.62 C ATOM 1445 O GLY A 99 58.209 105.316 76.652 1.00 29.22 O ATOM 0 H GLY A 99 58.541 106.838 74.932 1.00 29.62 H new ATOM 0 HA2 GLY A 99 59.154 108.134 77.495 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.474 108.316 77.030 1.00 28.62 H new ATOM 1449 N HIS A 100 57.664 106.147 78.621 1.00 0.00 N ATOM 1450 CA HIS A 100 57.350 104.797 79.179 1.00 0.00 C ATOM 1451 C HIS A 100 56.143 104.870 80.124 1.00 0.00 C ATOM 1452 O HIS A 100 55.806 105.919 80.641 1.00 0.00 O ATOM 1453 CB HIS A 100 58.612 104.351 79.931 1.00 0.00 C ATOM 1454 CG HIS A 100 58.985 105.366 80.978 1.00 0.00 C ATOM 1455 ND1 HIS A 100 59.647 106.541 80.662 1.00 0.00 N ATOM 1456 CD2 HIS A 100 58.810 105.389 82.339 1.00 0.00 C ATOM 1457 CE1 HIS A 100 59.848 107.215 81.807 1.00 0.00 C ATOM 1458 NE2 HIS A 100 59.356 106.557 82.862 1.00 0.00 N ATOM 0 H HIS A 100 57.537 106.922 79.271 1.00 0.00 H new ATOM 0 HA HIS A 100 57.087 104.088 78.394 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.440 103.382 80.400 1.00 0.00 H new ATOM 0 HB3 HIS A 100 59.436 104.224 79.229 1.00 0.00 H new ATOM 0 HD1 HIS A 100 59.931 106.840 79.729 1.00 0.00 H new ATOM 0 HD2 HIS A 100 58.322 104.618 82.916 1.00 0.00 H new ATOM 0 HE1 HIS A 100 60.346 108.171 81.868 1.00 0.00 H new ATOM 1466 N TYR A 101 55.495 103.755 80.347 1.00 25.77 N ATOM 1467 CA TYR A 101 54.302 103.728 81.252 1.00 25.79 C ATOM 1468 C TYR A 101 54.584 102.840 82.467 1.00 26.52 C ATOM 1469 O TYR A 101 54.979 101.700 82.317 1.00 27.05 O ATOM 1470 CB TYR A 101 53.169 103.116 80.417 1.00 24.67 C ATOM 1471 CG TYR A 101 52.469 104.170 79.580 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.130 105.417 80.131 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.148 103.888 78.246 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.473 106.373 79.349 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.493 104.847 77.465 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.155 106.088 78.016 1.00 23.58 C ATOM 1477 OH TYR A 101 50.504 107.030 77.247 1.00 25.91 O ATOM 0 H TYR A 101 55.742 102.854 79.938 1.00 25.77 H new ATOM 0 HA TYR A 101 54.051 104.723 81.619 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.572 102.341 79.766 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.447 102.634 81.077 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.377 105.638 81.159 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.406 102.930 77.820 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.211 107.331 79.774 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.248 104.629 76.436 1.00 24.17 H new ATOM 0 HH TYR A 101 49.610 107.192 77.615 1.00 25.91 H new ATOM 1487 N ASP A 102 54.353 103.323 83.664 1.00 0.00 N ATOM 1488 CA ASP A 102 54.575 102.465 84.867 1.00 0.00 C ATOM 1489 C ASP A 102 53.342 101.587 85.090 1.00 0.00 C ATOM 1490 O ASP A 102 52.233 102.067 85.230 1.00 0.00 O ATOM 1491 CB ASP A 102 54.793 103.430 86.033 1.00 0.00 C ATOM 1492 CG ASP A 102 55.272 102.651 87.259 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.477 101.909 87.813 1.00 0.00 O ATOM 1494 OD2 ASP A 102 56.426 102.808 87.623 1.00 0.00 O ATOM 0 H ASP A 102 54.022 104.268 83.858 1.00 0.00 H new ATOM 0 HA ASP A 102 55.431 101.799 84.758 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.529 104.187 85.760 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.866 103.955 86.262 1.00 0.00 H new ATOM 1499 N MET A 103 53.545 100.297 85.109 1.00 0.00 N ATOM 1500 CA MET A 103 52.414 99.341 85.301 1.00 0.00 C ATOM 1501 C MET A 103 52.674 98.441 86.511 1.00 0.00 C ATOM 1502 O MET A 103 53.790 98.329 86.983 1.00 0.00 O ATOM 1503 CB MET A 103 52.393 98.502 84.021 1.00 0.00 C ATOM 1504 CG MET A 103 52.146 99.409 82.814 1.00 0.00 C ATOM 1505 SD MET A 103 51.658 98.404 81.393 1.00 0.00 S ATOM 1506 CE MET A 103 49.939 98.130 81.889 1.00 0.00 C ATOM 0 H MET A 103 54.459 99.858 84.998 1.00 0.00 H new ATOM 0 HA MET A 103 51.469 99.854 85.481 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.340 97.975 83.904 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.612 97.744 84.084 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.366 100.134 83.045 1.00 0.00 H new ATOM 0 HG3 MET A 103 53.048 99.974 82.580 1.00 0.00 H new ATOM 0 HE1 MET A 103 49.724 97.062 81.880 1.00 0.00 H new ATOM 0 HE2 MET A 103 49.783 98.524 82.893 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.274 98.640 81.192 1.00 0.00 H new ATOM 1516 N VAL A 104 51.650 97.798 87.010 1.00 21.01 N ATOM 1517 CA VAL A 104 51.828 96.897 88.192 1.00 21.69 C ATOM 1518 C VAL A 104 50.940 95.656 88.057 1.00 22.60 C ATOM 1519 O VAL A 104 49.759 95.755 87.781 1.00 22.32 O ATOM 1520 CB VAL A 104 51.403 97.716 89.424 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.476 98.759 89.735 1.00 23.22 C ATOM 1522 CG2 VAL A 104 50.059 98.417 89.178 1.00 23.28 C ATOM 0 H VAL A 104 50.697 97.857 86.651 1.00 21.01 H new ATOM 0 HA VAL A 104 52.859 96.554 88.274 1.00 21.69 H new ATOM 0 HB VAL A 104 51.288 97.038 90.270 1.00 22.67 H new ATOM 0 HG11 VAL A 104 52.177 99.340 90.607 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.422 98.258 89.940 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.596 99.424 88.880 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.780 98.989 90.063 1.00 23.28 H new ATOM 0 HG22 VAL A 104 50.150 99.089 88.325 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.292 97.671 88.972 1.00 23.28 H new ATOM 1532 N ALA A 105 51.496 94.490 88.265 1.00 0.00 N ATOM 1533 CA ALA A 105 50.684 93.239 88.168 1.00 0.00 C ATOM 1534 C ALA A 105 49.712 93.169 89.345 1.00 0.00 C ATOM 1535 O ALA A 105 49.847 93.893 90.313 1.00 0.00 O ATOM 1536 CB ALA A 105 51.697 92.094 88.242 1.00 0.00 C ATOM 0 H ALA A 105 52.479 94.350 88.498 1.00 0.00 H new ATOM 0 HA ALA A 105 50.094 93.194 87.252 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.173 91.140 88.177 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.402 92.178 87.415 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.238 92.147 89.187 1.00 0.00 H new ATOM 1542 N ASP A 106 48.726 92.308 89.265 1.00 0.00 N ATOM 1543 CA ASP A 106 47.736 92.203 90.382 1.00 0.00 C ATOM 1544 C ASP A 106 48.415 91.681 91.652 1.00 0.00 C ATOM 1545 O ASP A 106 47.978 91.958 92.754 1.00 0.00 O ATOM 1546 CB ASP A 106 46.664 91.219 89.886 1.00 0.00 C ATOM 1547 CG ASP A 106 47.276 89.833 89.629 1.00 0.00 C ATOM 1548 OD1 ASP A 106 48.475 89.757 89.418 1.00 0.00 O ATOM 1549 OD2 ASP A 106 46.528 88.868 89.650 1.00 0.00 O ATOM 0 H ASP A 106 48.565 91.677 88.480 1.00 0.00 H new ATOM 0 HA ASP A 106 47.303 93.170 90.637 1.00 0.00 H new ATOM 0 HB2 ASP A 106 45.867 91.139 90.625 1.00 0.00 H new ATOM 0 HB3 ASP A 106 46.212 91.598 88.970 1.00 0.00 H new ATOM 1554 N ASP A 107 49.474 90.921 91.510 1.00 0.00 N ATOM 1555 CA ASP A 107 50.174 90.373 92.712 1.00 0.00 C ATOM 1556 C ASP A 107 51.095 91.425 93.350 1.00 0.00 C ATOM 1557 O ASP A 107 51.727 91.162 94.357 1.00 0.00 O ATOM 1558 CB ASP A 107 50.998 89.195 92.188 1.00 0.00 C ATOM 1559 CG ASP A 107 50.062 88.052 91.785 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.031 87.902 92.421 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.393 87.346 90.846 1.00 0.00 O ATOM 0 H ASP A 107 49.883 90.657 90.614 1.00 0.00 H new ATOM 0 HA ASP A 107 49.466 90.076 93.485 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.595 89.508 91.332 1.00 0.00 H new ATOM 0 HB3 ASP A 107 51.694 88.855 92.955 1.00 0.00 H new ATOM 1566 N GLY A 108 51.178 92.607 92.784 1.00 30.43 N ATOM 1567 CA GLY A 108 52.059 93.657 93.376 1.00 29.11 C ATOM 1568 C GLY A 108 53.368 93.773 92.583 1.00 29.35 C ATOM 1569 O GLY A 108 54.140 94.690 92.794 1.00 30.17 O ATOM 0 H GLY A 108 50.675 92.886 91.942 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.541 94.616 93.376 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.278 93.413 94.416 1.00 29.11 H new ATOM 1573 N THR A 109 53.633 92.856 91.675 1.00 0.00 N ATOM 1574 CA THR A 109 54.904 92.932 90.881 1.00 0.00 C ATOM 1575 C THR A 109 54.983 94.273 90.142 1.00 0.00 C ATOM 1576 O THR A 109 54.019 94.708 89.539 1.00 0.00 O ATOM 1577 CB THR A 109 54.821 91.777 89.879 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.518 90.574 90.571 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.160 91.630 89.155 1.00 0.00 C ATOM 0 H THR A 109 53.028 92.065 91.452 1.00 0.00 H new ATOM 0 HA THR A 109 55.789 92.859 91.513 1.00 0.00 H new ATOM 0 HB THR A 109 54.038 91.983 89.149 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.403 89.846 89.926 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.100 90.808 88.442 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.390 92.554 88.625 1.00 0.00 H new ATOM 0 HG23 THR A 109 56.946 91.423 89.882 1.00 0.00 H new ATOM 1587 N GLU A 110 56.113 94.935 90.188 1.00 0.00 N ATOM 1588 CA GLU A 110 56.232 96.251 89.489 1.00 0.00 C ATOM 1589 C GLU A 110 57.003 96.100 88.173 1.00 0.00 C ATOM 1590 O GLU A 110 57.992 95.395 88.097 1.00 0.00 O ATOM 1591 CB GLU A 110 56.989 97.155 90.463 1.00 0.00 C ATOM 1592 CG GLU A 110 57.105 98.565 89.872 1.00 0.00 C ATOM 1593 CD GLU A 110 57.863 99.483 90.841 1.00 0.00 C ATOM 1594 OE1 GLU A 110 57.929 99.158 92.018 1.00 0.00 O ATOM 1595 OE2 GLU A 110 58.360 100.500 90.389 1.00 0.00 O ATOM 0 H GLU A 110 56.953 94.623 90.676 1.00 0.00 H new ATOM 0 HA GLU A 110 55.257 96.663 89.228 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.468 97.193 91.420 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.982 96.748 90.656 1.00 0.00 H new ATOM 0 HG2 GLU A 110 57.625 98.525 88.915 1.00 0.00 H new ATOM 0 HG3 GLU A 110 56.111 98.969 89.678 1.00 0.00 H new ATOM 1602 N PHE A 111 56.555 96.770 87.144 1.00 27.41 N ATOM 1603 CA PHE A 111 57.245 96.693 85.822 1.00 27.50 C ATOM 1604 C PHE A 111 56.803 97.862 84.930 1.00 28.03 C ATOM 1605 O PHE A 111 55.654 98.260 84.934 1.00 27.72 O ATOM 1606 CB PHE A 111 56.848 95.331 85.225 1.00 26.12 C ATOM 1607 CG PHE A 111 55.387 95.317 84.822 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.407 94.941 85.748 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.019 95.674 83.519 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.058 94.924 85.369 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.672 95.655 83.142 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.691 95.280 84.066 1.00 23.73 C ATOM 0 H PHE A 111 55.733 97.373 87.163 1.00 27.41 H new ATOM 0 HA PHE A 111 58.329 96.770 85.912 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.470 95.116 84.356 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.035 94.542 85.954 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.690 94.664 86.753 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.775 95.964 82.805 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.301 94.636 86.083 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.389 95.930 82.137 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.651 95.265 83.774 1.00 23.73 H new ATOM 1622 N ILE A 112 57.719 98.413 84.176 1.00 0.00 N ATOM 1623 CA ILE A 112 57.376 99.563 83.285 1.00 0.00 C ATOM 1624 C ILE A 112 57.134 99.085 81.850 1.00 0.00 C ATOM 1625 O ILE A 112 57.623 98.050 81.439 1.00 0.00 O ATOM 1626 CB ILE A 112 58.586 100.506 83.349 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.849 99.779 82.872 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.789 100.977 84.790 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.919 100.808 82.501 1.00 0.00 C ATOM 0 H ILE A 112 58.694 98.115 84.139 1.00 0.00 H new ATOM 0 HA ILE A 112 56.460 100.061 83.604 1.00 0.00 H new ATOM 0 HB ILE A 112 58.401 101.363 82.702 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.220 99.119 83.656 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.618 99.152 82.011 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.648 101.647 84.836 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.898 101.506 85.129 1.00 0.00 H new ATOM 0 HG23 ILE A 112 58.966 100.115 85.433 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.817 100.292 82.162 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.546 101.450 81.703 1.00 0.00 H new ATOM 0 HD13 ILE A 112 61.157 101.416 83.374 1.00 0.00 H new ATOM 1641 N ALA A 113 56.397 99.847 81.086 1.00 0.00 N ATOM 1642 CA ALA A 113 56.124 99.472 79.670 1.00 0.00 C ATOM 1643 C ALA A 113 56.631 100.590 78.749 1.00 0.00 C ATOM 1644 O ALA A 113 55.961 101.588 78.565 1.00 0.00 O ATOM 1645 CB ALA A 113 54.603 99.336 79.574 1.00 0.00 C ATOM 0 H ALA A 113 55.969 100.722 81.387 1.00 0.00 H new ATOM 0 HA ALA A 113 56.622 98.549 79.372 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.326 99.061 78.556 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.262 98.564 80.264 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.136 100.286 79.833 1.00 0.00 H new ATOM 1651 N PRO A 114 57.815 100.393 78.214 1.00 31.26 N ATOM 1652 CA PRO A 114 58.389 101.444 77.325 1.00 32.26 C ATOM 1653 C PRO A 114 57.493 101.725 76.114 1.00 31.77 C ATOM 1654 O PRO A 114 56.905 100.840 75.524 1.00 33.24 O ATOM 1655 CB PRO A 114 59.729 100.868 76.879 1.00 32.64 C ATOM 1656 CG PRO A 114 59.569 99.394 77.001 1.00 33.31 C ATOM 1657 CD PRO A 114 58.625 99.160 78.147 1.00 32.61 C ATOM 0 HA PRO A 114 58.486 102.399 77.842 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.962 101.157 75.854 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.544 101.231 77.506 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.172 98.969 76.079 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.530 98.914 77.186 1.00 33.31 H new ATOM 0 HD2 PRO A 114 58.001 98.283 77.975 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.165 98.988 79.078 1.00 32.61 H new ATOM 1665 N ILE A 115 57.422 102.976 75.747 1.00 30.59 N ATOM 1666 CA ILE A 115 56.604 103.399 74.572 1.00 30.04 C ATOM 1667 C ILE A 115 57.544 103.776 73.428 1.00 30.45 C ATOM 1668 O ILE A 115 58.415 104.620 73.577 1.00 30.15 O ATOM 1669 CB ILE A 115 55.808 104.624 75.033 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.974 104.269 76.269 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.873 105.072 73.909 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.381 105.545 76.869 1.00 28.50 C ATOM 0 H ILE A 115 57.906 103.738 76.221 1.00 30.59 H new ATOM 0 HA ILE A 115 55.939 102.610 74.221 1.00 30.04 H new ATOM 0 HB ILE A 115 56.500 105.428 75.283 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.176 103.578 75.996 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.596 103.762 77.007 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.305 105.944 74.234 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.461 105.330 73.028 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.186 104.262 73.663 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.788 105.292 77.748 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.187 106.220 77.157 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.745 106.033 76.130 1.00 28.50 H new ATOM 1684 N ALA A 116 57.375 103.150 72.288 1.00 30.78 N ATOM 1685 CA ALA A 116 58.256 103.438 71.110 1.00 29.78 C ATOM 1686 C ALA A 116 58.343 104.942 70.833 1.00 29.57 C ATOM 1687 O ALA A 116 57.428 105.690 71.118 1.00 28.51 O ATOM 1688 CB ALA A 116 57.589 102.725 69.932 1.00 27.76 C ATOM 0 H ALA A 116 56.657 102.445 72.121 1.00 30.78 H new ATOM 0 HA ALA A 116 59.276 103.096 71.284 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.176 102.888 69.028 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.531 101.656 70.139 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.584 103.122 69.789 1.00 27.76 H new ATOM 1694 N ALA A 117 59.442 105.382 70.278 1.00 0.00 N ATOM 1695 CA ALA A 117 59.607 106.830 69.973 1.00 0.00 C ATOM 1696 C ALA A 117 59.296 107.097 68.500 1.00 0.00 C ATOM 1697 O ALA A 117 59.964 106.593 67.617 1.00 0.00 O ATOM 1698 CB ALA A 117 61.077 107.127 70.267 1.00 0.00 C ATOM 0 H ALA A 117 60.236 104.795 70.022 1.00 0.00 H new ATOM 0 HA ALA A 117 58.935 107.456 70.560 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.283 108.179 70.067 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.290 106.908 71.313 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.708 106.506 69.631 1.00 0.00 H new ATOM 1704 N PHE A 118 58.298 107.896 68.233 1.00 29.64 N ATOM 1705 CA PHE A 118 57.945 108.218 66.818 1.00 29.08 C ATOM 1706 C PHE A 118 58.349 109.663 66.522 1.00 30.66 C ATOM 1707 O PHE A 118 58.689 110.408 67.422 1.00 30.55 O ATOM 1708 CB PHE A 118 56.426 108.027 66.706 1.00 25.73 C ATOM 1709 CG PHE A 118 55.708 108.895 67.715 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.438 110.235 67.418 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.308 108.356 68.944 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.770 111.037 68.351 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.640 109.158 69.877 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.371 110.499 69.580 1.00 21.66 C ATOM 0 H PHE A 118 57.709 108.342 68.936 1.00 29.64 H new ATOM 0 HA PHE A 118 58.461 107.580 66.100 1.00 29.08 H new ATOM 0 HB2 PHE A 118 56.095 108.280 65.699 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.172 106.980 66.872 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.745 110.651 66.470 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.515 107.321 69.172 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.562 112.072 68.122 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.333 108.742 70.825 1.00 21.66 H new ATOM 0 HZ PHE A 118 53.856 111.119 70.299 1.00 21.66 H new ATOM 1724 N VAL A 119 58.326 110.068 65.277 1.00 0.00 N ATOM 1725 CA VAL A 119 58.722 111.469 64.941 1.00 0.00 C ATOM 1726 C VAL A 119 57.521 112.251 64.399 1.00 0.00 C ATOM 1727 O VAL A 119 56.596 111.686 63.844 1.00 0.00 O ATOM 1728 CB VAL A 119 59.808 111.332 63.868 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.304 112.720 63.453 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.984 110.525 64.428 1.00 0.00 C ATOM 0 H VAL A 119 58.051 109.491 64.482 1.00 0.00 H new ATOM 0 HA VAL A 119 59.081 112.013 65.815 1.00 0.00 H new ATOM 0 HB VAL A 119 59.390 110.820 63.001 1.00 0.00 H new ATOM 0 HG11 VAL A 119 61.076 112.618 62.690 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.472 113.299 63.052 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.718 113.233 64.321 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.755 110.428 63.664 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.396 111.038 65.297 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.638 109.534 64.722 1.00 0.00 H new ATOM 1740 N LEU A 120 57.542 113.548 64.548 1.00 36.62 N ATOM 1741 CA LEU A 120 56.422 114.392 64.040 1.00 37.66 C ATOM 1742 C LEU A 120 56.930 115.276 62.901 1.00 38.64 C ATOM 1743 O LEU A 120 57.967 115.901 63.012 1.00 37.83 O ATOM 1744 CB LEU A 120 55.966 115.258 65.223 1.00 38.14 C ATOM 1745 CG LEU A 120 55.252 114.400 66.277 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.267 113.539 67.033 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.524 115.315 67.263 1.00 37.30 C ATOM 0 H LEU A 120 58.294 114.064 65.004 1.00 36.62 H new ATOM 0 HA LEU A 120 55.599 113.789 63.657 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.827 115.753 65.672 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.296 116.042 64.870 1.00 38.14 H new ATOM 0 HG LEU A 120 54.535 113.746 65.780 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.749 112.935 67.778 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.784 112.885 66.331 1.00 39.15 H new ATOM 0 HD13 LEU A 120 56.992 114.183 67.530 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.015 114.710 68.013 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.245 115.970 67.752 1.00 37.30 H new ATOM 0 HD23 LEU A 120 53.792 115.919 66.727 1.00 37.30 H new ATOM 1759 N SER A 121 56.213 115.325 61.808 1.00 0.00 N ATOM 1760 CA SER A 121 56.650 116.164 60.653 1.00 0.00 C ATOM 1761 C SER A 121 55.437 116.575 59.812 1.00 0.00 C ATOM 1762 O SER A 121 54.304 116.392 60.210 1.00 0.00 O ATOM 1763 CB SER A 121 57.586 115.268 59.843 1.00 0.00 C ATOM 1764 OG SER A 121 56.876 114.112 59.418 1.00 0.00 O ATOM 0 H SER A 121 55.340 114.818 61.666 1.00 0.00 H new ATOM 0 HA SER A 121 57.143 117.083 60.972 1.00 0.00 H new ATOM 0 HB2 SER A 121 57.971 115.811 58.980 1.00 0.00 H new ATOM 0 HB3 SER A 121 58.446 114.979 60.448 1.00 0.00 H new ATOM 0 HG SER A 121 57.472 113.535 58.896 1.00 0.00 H new TER 1770 SER A 121