USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 HIS : no HE2:sc= -1.12 K(o=-3.7,f=-6.1!) USER MOD Set 1.2: A 63 GLN : amide:sc= 0 K(o=-3.7,f=-4.2) USER MOD Set 1.3: A 100 HIS : no HD1:sc= -2.55 X(o=-3.7,f=-3.8!) USER MOD Set 2.1: A 33 TYR OH : rot 81:sc= 0.829 USER MOD Set 2.2: A 86 SER OG : rot -122:sc= 1.49 USER MOD Set 3.1: A 84 TYR OH : rot 180:sc= -0.242 USER MOD Set 3.2: A 101 TYR OH : rot -78:sc= 0.504 USER MOD Set 4.1: A 7 TYR OH : rot 165:sc= 1.06 USER MOD Set 4.2: A 109 THR OG1 : rot 172:sc= 1.25 USER MOD Single : A 14 SER OG : rot 38:sc= 0.977 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 22 SER OG : rot -118:sc= 0.981 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -90:sc= 0.284 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 39 ASN : amide:sc= 0.639 K(o=0.64,f=-9.3!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.77! USER MOD Single : A 58 ASN : amide:sc= -2.42 K(o=-2.4,f=-13!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 83 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 94:sc= 0.223 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 96 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.51) USER MOD Single : A 97 MET CE :methyl -139:sc= -0.302 (180deg=-2.71!) USER MOD Single : A 98 GLN : amide:sc= -0.883 K(o=-0.88,f=-6.7!) USER MOD Single : A 103 MET CE :methyl 133:sc= -4.25! (180deg=-7.08!) USER MOD Single : A 121 SER OG : rot 24:sc= 0.668 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.375 86.469 81.941 1.00 0.00 N ATOM 2 CA ARG A 6 54.072 86.766 82.606 1.00 0.00 C ATOM 3 C ARG A 6 53.770 88.272 82.563 1.00 0.00 C ATOM 4 O ARG A 6 52.643 88.685 82.775 1.00 0.00 O ATOM 5 CB ARG A 6 54.247 86.295 84.049 1.00 0.00 C ATOM 6 CG ARG A 6 54.308 84.767 84.084 1.00 0.00 C ATOM 7 CD ARG A 6 54.483 84.294 85.530 1.00 0.00 C ATOM 8 NE ARG A 6 55.860 84.715 85.916 1.00 0.00 N ATOM 9 CZ ARG A 6 56.429 84.196 86.969 1.00 0.00 C ATOM 10 NH1 ARG A 6 56.741 82.929 86.983 1.00 0.00 N ATOM 11 NH2 ARG A 6 56.687 84.943 88.007 1.00 0.00 N ATOM 0 HA ARG A 6 53.239 86.268 82.110 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.159 86.716 84.472 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.418 86.650 84.662 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.396 84.347 83.661 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.137 84.412 83.471 1.00 0.00 H new ATOM 0 HD2 ARG A 6 53.736 84.744 86.184 1.00 0.00 H new ATOM 0 HD3 ARG A 6 54.366 83.213 85.608 1.00 0.00 H new ATOM 0 HE ARG A 6 56.357 85.409 85.357 1.00 0.00 H new ATOM 0 HH11 ARG A 6 56.540 82.345 86.171 1.00 0.00 H new ATOM 0 HH12 ARG A 6 57.186 82.522 87.806 1.00 0.00 H new ATOM 0 HH21 ARG A 6 56.444 85.934 87.996 1.00 0.00 H new ATOM 0 HH22 ARG A 6 57.132 84.537 88.830 1.00 0.00 H new ATOM 25 N TYR A 7 54.760 89.092 82.293 1.00 31.93 N ATOM 26 CA TYR A 7 54.521 90.567 82.240 1.00 29.59 C ATOM 27 C TYR A 7 54.837 91.108 80.841 1.00 29.68 C ATOM 28 O TYR A 7 55.976 91.127 80.414 1.00 30.50 O ATOM 29 CB TYR A 7 55.475 91.166 83.275 1.00 27.35 C ATOM 30 CG TYR A 7 55.145 90.623 84.646 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.848 90.751 85.157 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.137 89.991 85.406 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.543 90.246 86.426 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.833 89.487 86.676 1.00 22.47 C ATOM 35 CZ TYR A 7 54.536 89.614 87.186 1.00 22.87 C ATOM 36 OH TYR A 7 54.234 89.117 88.438 1.00 25.71 O ATOM 0 H TYR A 7 55.720 88.802 82.108 1.00 31.93 H new ATOM 0 HA TYR A 7 53.482 90.821 82.451 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.506 90.925 83.016 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.392 92.253 83.274 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.083 91.239 84.572 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.138 89.892 85.012 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.542 90.343 86.820 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.599 89.000 87.262 1.00 22.47 H new ATOM 0 HH TYR A 7 54.946 88.509 88.729 1.00 25.71 H new ATOM 46 N ARG A 8 53.830 91.545 80.130 1.00 0.00 N ATOM 47 CA ARG A 8 54.047 92.090 78.756 1.00 0.00 C ATOM 48 C ARG A 8 52.944 93.092 78.402 1.00 0.00 C ATOM 49 O ARG A 8 51.772 92.851 78.621 1.00 0.00 O ATOM 50 CB ARG A 8 53.988 90.877 77.826 1.00 0.00 C ATOM 51 CG ARG A 8 55.292 90.084 77.938 1.00 0.00 C ATOM 52 CD ARG A 8 55.341 89.023 76.837 1.00 0.00 C ATOM 53 NE ARG A 8 54.388 87.966 77.278 1.00 0.00 N ATOM 54 CZ ARG A 8 54.829 86.777 77.585 1.00 0.00 C ATOM 55 NH1 ARG A 8 55.244 85.972 76.645 1.00 0.00 N ATOM 56 NH2 ARG A 8 54.859 86.395 78.832 1.00 0.00 N ATOM 0 H ARG A 8 52.860 91.548 80.444 1.00 0.00 H new ATOM 0 HA ARG A 8 54.996 92.619 78.671 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.141 90.244 78.090 1.00 0.00 H new ATOM 0 HB3 ARG A 8 53.835 91.202 76.797 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.147 90.755 77.849 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.359 89.610 78.917 1.00 0.00 H new ATOM 0 HD2 ARG A 8 55.049 89.440 75.873 1.00 0.00 H new ATOM 0 HD3 ARG A 8 56.348 88.623 76.719 1.00 0.00 H new ATOM 0 HE ARG A 8 53.391 88.172 77.340 1.00 0.00 H new ATOM 0 HH11 ARG A 8 55.224 86.272 75.670 1.00 0.00 H new ATOM 0 HH12 ARG A 8 55.589 85.043 76.885 1.00 0.00 H new ATOM 0 HH21 ARG A 8 54.538 87.026 79.566 1.00 0.00 H new ATOM 0 HH22 ARG A 8 55.204 85.466 79.073 1.00 0.00 H new ATOM 70 N VAL A 9 53.324 94.218 77.856 1.00 0.00 N ATOM 71 CA VAL A 9 52.331 95.267 77.472 1.00 0.00 C ATOM 72 C VAL A 9 52.877 96.085 76.297 1.00 0.00 C ATOM 73 O VAL A 9 53.863 96.787 76.416 1.00 0.00 O ATOM 74 CB VAL A 9 52.163 96.151 78.717 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.185 97.297 78.414 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.613 95.309 79.873 1.00 0.00 C ATOM 0 H VAL A 9 54.295 94.459 77.657 1.00 0.00 H new ATOM 0 HA VAL A 9 51.378 94.841 77.158 1.00 0.00 H new ATOM 0 HB VAL A 9 53.132 96.566 78.994 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.070 97.921 79.300 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.574 97.900 77.594 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.216 96.884 78.132 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.494 95.937 80.756 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.646 94.892 79.591 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.307 94.498 80.095 1.00 0.00 H new ATOM 86 N GLU A 10 52.219 96.012 75.172 1.00 0.00 N ATOM 87 CA GLU A 10 52.641 96.786 73.969 1.00 0.00 C ATOM 88 C GLU A 10 51.681 97.956 73.743 1.00 0.00 C ATOM 89 O GLU A 10 50.476 97.793 73.709 1.00 0.00 O ATOM 90 CB GLU A 10 52.548 95.789 72.812 1.00 0.00 C ATOM 91 CG GLU A 10 53.006 96.463 71.514 1.00 0.00 C ATOM 92 CD GLU A 10 52.917 95.473 70.344 1.00 0.00 C ATOM 93 OE1 GLU A 10 52.886 94.277 70.597 1.00 0.00 O ATOM 94 OE2 GLU A 10 52.881 95.929 69.213 1.00 0.00 O ATOM 0 H GLU A 10 51.389 95.436 75.033 1.00 0.00 H new ATOM 0 HA GLU A 10 53.642 97.205 74.069 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.168 94.917 73.019 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.523 95.433 72.707 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.385 97.336 71.310 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.031 96.819 71.622 1.00 0.00 H new ATOM 101 N VAL A 11 52.221 99.136 73.591 1.00 26.88 N ATOM 102 CA VAL A 11 51.370 100.343 73.366 1.00 26.83 C ATOM 103 C VAL A 11 51.694 100.956 72.000 1.00 27.58 C ATOM 104 O VAL A 11 52.844 101.038 71.608 1.00 28.21 O ATOM 105 CB VAL A 11 51.739 101.309 74.497 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.918 102.594 74.365 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.437 100.656 75.849 1.00 25.75 C ATOM 0 H VAL A 11 53.224 99.318 73.613 1.00 26.88 H new ATOM 0 HA VAL A 11 50.305 100.111 73.369 1.00 26.83 H new ATOM 0 HB VAL A 11 52.801 101.546 74.433 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.182 103.279 75.171 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.130 103.064 73.405 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.856 102.355 74.426 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.700 101.344 76.652 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.375 100.417 75.909 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.021 99.741 75.950 1.00 25.75 H new ATOM 117 N GLU A 12 50.694 101.385 71.275 1.00 0.00 N ATOM 118 CA GLU A 12 50.936 101.994 69.933 1.00 0.00 C ATOM 119 C GLU A 12 50.359 103.411 69.891 1.00 0.00 C ATOM 120 O GLU A 12 49.264 103.660 70.358 1.00 0.00 O ATOM 121 CB GLU A 12 50.199 101.086 68.949 1.00 0.00 C ATOM 122 CG GLU A 12 50.537 101.503 67.515 1.00 0.00 C ATOM 123 CD GLU A 12 52.021 101.247 67.239 1.00 0.00 C ATOM 124 OE1 GLU A 12 52.555 100.303 67.799 1.00 0.00 O ATOM 125 OE2 GLU A 12 52.599 102.001 66.474 1.00 0.00 O ATOM 0 H GLU A 12 49.715 101.339 71.556 1.00 0.00 H new ATOM 0 HA GLU A 12 51.997 102.073 69.697 1.00 0.00 H new ATOM 0 HB2 GLU A 12 50.484 100.047 69.113 1.00 0.00 H new ATOM 0 HB3 GLU A 12 49.123 101.151 69.114 1.00 0.00 H new ATOM 0 HG2 GLU A 12 49.924 100.943 66.809 1.00 0.00 H new ATOM 0 HG3 GLU A 12 50.307 102.558 67.369 1.00 0.00 H new ATOM 132 N VAL A 13 51.096 104.340 69.338 1.00 26.55 N ATOM 133 CA VAL A 13 50.609 105.750 69.263 1.00 26.45 C ATOM 134 C VAL A 13 50.713 106.273 67.828 1.00 27.95 C ATOM 135 O VAL A 13 51.701 106.065 67.148 1.00 27.94 O ATOM 136 CB VAL A 13 51.530 106.541 70.199 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.121 108.017 70.203 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.418 105.983 71.620 1.00 26.97 C ATOM 0 H VAL A 13 52.019 104.181 68.933 1.00 26.55 H new ATOM 0 HA VAL A 13 49.562 105.841 69.554 1.00 26.45 H new ATOM 0 HB VAL A 13 52.558 106.450 69.849 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.779 108.575 70.870 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.202 108.420 69.193 1.00 24.91 H new ATOM 0 HG13 VAL A 13 50.091 108.108 70.549 1.00 24.91 H new ATOM 0 HG21 VAL A 13 52.073 106.546 72.285 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.388 106.071 71.965 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.713 104.934 71.623 1.00 26.97 H new ATOM 148 N SER A 14 49.688 106.951 67.366 1.00 0.00 N ATOM 149 CA SER A 14 49.707 107.494 65.975 1.00 0.00 C ATOM 150 C SER A 14 49.409 109.004 65.981 1.00 0.00 C ATOM 151 O SER A 14 48.277 109.407 66.174 1.00 0.00 O ATOM 152 CB SER A 14 48.609 106.732 65.235 1.00 0.00 C ATOM 153 OG SER A 14 47.374 106.911 65.916 1.00 0.00 O ATOM 0 H SER A 14 48.839 107.150 67.895 1.00 0.00 H new ATOM 0 HA SER A 14 50.680 107.369 65.501 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.528 107.092 64.209 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.858 105.672 65.182 1.00 0.00 H new ATOM 0 HG SER A 14 47.315 107.830 66.250 1.00 0.00 H new ATOM 159 N PRO A 15 50.439 109.791 65.766 1.00 28.75 N ATOM 160 CA PRO A 15 50.235 111.269 65.747 1.00 30.20 C ATOM 161 C PRO A 15 49.749 111.739 64.370 1.00 33.00 C ATOM 162 O PRO A 15 49.818 111.023 63.390 1.00 32.76 O ATOM 163 CB PRO A 15 51.615 111.842 66.051 1.00 29.34 C ATOM 164 CG PRO A 15 52.574 110.788 65.616 1.00 29.59 C ATOM 165 CD PRO A 15 51.880 109.464 65.789 1.00 28.91 C ATOM 0 HA PRO A 15 49.478 111.591 66.463 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.783 112.775 65.512 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.726 112.063 67.113 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.866 110.937 64.577 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.486 110.826 66.212 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.142 108.772 64.989 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.163 108.988 66.728 1.00 28.91 H new ATOM 173 N ARG A 16 49.252 112.951 64.307 1.00 34.77 N ATOM 174 CA ARG A 16 48.743 113.512 63.017 1.00 37.64 C ATOM 175 C ARG A 16 48.746 115.045 63.080 1.00 38.99 C ATOM 176 O ARG A 16 48.293 115.643 64.038 1.00 38.96 O ATOM 177 CB ARG A 16 47.316 112.971 62.864 1.00 40.22 C ATOM 178 CG ARG A 16 46.464 113.383 64.069 1.00 43.41 C ATOM 179 CD ARG A 16 45.059 112.791 63.928 1.00 47.90 C ATOM 180 NE ARG A 16 45.192 111.377 64.374 1.00 51.85 N ATOM 181 CZ ARG A 16 44.214 110.803 65.018 1.00 53.88 C ATOM 182 NH1 ARG A 16 43.829 111.270 66.174 1.00 54.10 N ATOM 183 NH2 ARG A 16 43.620 109.759 64.506 1.00 53.27 N ATOM 0 H ARG A 16 49.177 113.582 65.105 1.00 34.77 H new ATOM 0 HA ARG A 16 49.364 113.225 62.168 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.870 113.354 61.946 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.338 111.885 62.779 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.927 113.033 64.992 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.407 114.470 64.133 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.339 113.333 64.541 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.708 112.849 62.898 1.00 47.90 H new ATOM 0 HE ARG A 16 46.047 110.858 64.176 1.00 51.85 H new ATOM 0 HH11 ARG A 16 44.293 112.085 66.575 1.00 54.10 H new ATOM 0 HH12 ARG A 16 43.064 110.820 66.677 1.00 54.10 H new ATOM 0 HH21 ARG A 16 43.921 109.393 63.603 1.00 53.27 H new ATOM 0 HH22 ARG A 16 42.855 109.310 65.009 1.00 53.27 H new ATOM 197 N PHE A 17 49.279 115.674 62.065 1.00 0.00 N ATOM 198 CA PHE A 17 49.352 117.171 62.039 1.00 0.00 C ATOM 199 C PHE A 17 47.954 117.804 62.058 1.00 0.00 C ATOM 200 O PHE A 17 47.045 117.348 61.390 1.00 0.00 O ATOM 201 CB PHE A 17 50.063 117.505 60.724 1.00 0.00 C ATOM 202 CG PHE A 17 50.305 118.994 60.639 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.306 119.584 61.420 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.532 119.782 59.779 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.534 120.963 61.341 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.760 121.161 59.700 1.00 0.00 C ATOM 207 CZ PHE A 17 50.761 121.752 60.480 1.00 0.00 C ATOM 0 H PHE A 17 49.671 115.213 61.244 1.00 0.00 H new ATOM 0 HA PHE A 17 49.875 117.559 62.913 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.010 116.969 60.665 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.458 117.176 59.879 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.902 118.975 62.083 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.760 119.327 59.177 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.306 121.418 61.944 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.163 121.769 59.037 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.937 122.816 60.418 1.00 0.00 H new ATOM 217 N LEU A 18 47.785 118.861 62.814 1.00 0.00 N ATOM 218 CA LEU A 18 46.457 119.549 62.880 1.00 0.00 C ATOM 219 C LEU A 18 46.564 120.968 62.310 1.00 0.00 C ATOM 220 O LEU A 18 46.635 121.944 63.028 1.00 0.00 O ATOM 221 CB LEU A 18 46.077 119.585 64.360 1.00 0.00 C ATOM 222 CG LEU A 18 45.745 118.173 64.841 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.504 118.192 66.353 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.484 117.675 64.131 1.00 0.00 C ATOM 0 H LEU A 18 48.514 119.280 63.392 1.00 0.00 H new ATOM 0 HA LEU A 18 45.702 119.027 62.291 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.899 119.996 64.947 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.220 120.241 64.509 1.00 0.00 H new ATOM 0 HG LEU A 18 46.578 117.507 64.614 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.267 117.185 66.696 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.401 118.547 66.860 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.672 118.858 66.580 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.247 116.668 64.474 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.652 118.341 64.358 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.654 117.661 63.054 1.00 0.00 H new ATOM 236 N ALA A 19 46.549 121.066 61.008 1.00 0.00 N ATOM 237 CA ALA A 19 46.620 122.395 60.319 1.00 0.00 C ATOM 238 C ALA A 19 45.358 123.223 60.580 1.00 0.00 C ATOM 239 O ALA A 19 45.418 124.435 60.680 1.00 0.00 O ATOM 240 CB ALA A 19 46.698 122.052 58.829 1.00 0.00 C ATOM 0 H ALA A 19 46.489 120.267 60.377 1.00 0.00 H new ATOM 0 HA ALA A 19 47.466 122.983 60.673 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.753 122.972 58.246 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.586 121.449 58.640 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.810 121.491 58.538 1.00 0.00 H new ATOM 246 N HIS A 20 44.216 122.589 60.670 1.00 0.00 N ATOM 247 CA HIS A 20 42.951 123.356 60.901 1.00 0.00 C ATOM 248 C HIS A 20 42.917 123.946 62.314 1.00 0.00 C ATOM 249 O HIS A 20 42.246 124.933 62.560 1.00 0.00 O ATOM 250 CB HIS A 20 41.819 122.346 60.706 1.00 0.00 C ATOM 251 CG HIS A 20 40.497 123.063 60.734 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.176 124.057 59.823 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.405 122.941 61.556 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.936 124.491 60.117 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.420 123.843 61.165 1.00 0.00 N ATOM 0 H HIS A 20 44.104 121.578 60.594 1.00 0.00 H new ATOM 0 HA HIS A 20 42.863 124.199 60.215 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.942 121.825 59.757 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.852 121.591 61.491 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.322 122.250 62.382 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.421 125.268 59.572 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.502 123.980 61.588 1.00 0.00 H new ATOM 263 N GLN A 21 43.624 123.354 63.243 1.00 51.13 N ATOM 264 CA GLN A 21 43.617 123.886 64.640 1.00 51.59 C ATOM 265 C GLN A 21 45.026 124.309 65.072 1.00 51.55 C ATOM 266 O GLN A 21 45.369 124.228 66.236 1.00 51.24 O ATOM 267 CB GLN A 21 43.117 122.728 65.504 1.00 52.27 C ATOM 268 CG GLN A 21 41.633 122.485 65.222 1.00 52.27 C ATOM 269 CD GLN A 21 41.131 121.326 66.085 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.823 120.344 66.266 1.00 52.37 O ATOM 271 NE2 GLN A 21 39.948 121.399 66.630 1.00 51.79 N ATOM 0 H GLN A 21 44.204 122.528 63.096 1.00 51.13 H new ATOM 0 HA GLN A 21 42.987 124.771 64.733 1.00 51.59 H new ATOM 0 HB2 GLN A 21 43.691 121.826 65.290 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.265 122.957 66.559 1.00 52.27 H new ATOM 0 HG2 GLN A 21 41.059 123.387 65.436 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.485 122.257 64.166 1.00 52.27 H new ATOM 0 HE21 GLN A 21 39.367 122.223 66.478 1.00 51.79 H new ATOM 0 HE22 GLN A 21 39.604 120.632 67.208 1.00 51.79 H new ATOM 280 N SER A 22 45.843 124.758 64.149 1.00 52.26 N ATOM 281 CA SER A 22 47.227 125.184 64.522 1.00 52.76 C ATOM 282 C SER A 22 47.750 126.257 63.559 1.00 51.68 C ATOM 283 O SER A 22 47.455 126.241 62.379 1.00 52.15 O ATOM 284 CB SER A 22 48.075 123.916 64.424 1.00 53.63 C ATOM 285 OG SER A 22 48.410 123.668 63.063 1.00 55.19 O ATOM 0 H SER A 22 45.612 124.847 63.159 1.00 52.26 H new ATOM 0 HA SER A 22 47.259 125.623 65.519 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.982 124.027 65.018 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.527 123.068 64.834 1.00 53.63 H new ATOM 0 HG SER A 22 48.027 122.811 62.783 1.00 55.19 H new ATOM 291 N THR A 23 48.546 127.169 64.056 1.00 0.00 N ATOM 292 CA THR A 23 49.123 128.232 63.175 1.00 0.00 C ATOM 293 C THR A 23 50.657 128.177 63.261 1.00 0.00 C ATOM 294 O THR A 23 51.253 128.756 64.147 1.00 0.00 O ATOM 295 CB THR A 23 48.561 129.572 63.689 1.00 0.00 C ATOM 296 OG1 THR A 23 49.075 130.628 62.891 1.00 0.00 O ATOM 297 CG2 THR A 23 48.949 129.813 65.153 1.00 0.00 C ATOM 0 H THR A 23 48.823 127.224 65.036 1.00 0.00 H new ATOM 0 HA THR A 23 48.858 128.100 62.126 1.00 0.00 H new ATOM 0 HB THR A 23 47.474 129.537 63.623 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.720 131.483 63.212 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.538 130.766 65.486 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.550 129.009 65.772 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.035 129.835 65.243 1.00 0.00 H new ATOM 305 N PRO A 24 51.247 127.443 62.343 1.00 49.88 N ATOM 306 CA PRO A 24 52.733 127.303 62.375 1.00 51.02 C ATOM 307 C PRO A 24 53.437 128.635 62.088 1.00 51.50 C ATOM 308 O PRO A 24 54.587 128.820 62.443 1.00 51.57 O ATOM 309 CB PRO A 24 53.031 126.298 61.266 1.00 51.23 C ATOM 310 CG PRO A 24 51.884 126.415 60.324 1.00 51.05 C ATOM 311 CD PRO A 24 50.685 126.781 61.150 1.00 49.44 C ATOM 0 HA PRO A 24 53.090 126.985 63.354 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.974 126.526 60.770 1.00 51.23 H new ATOM 0 HB3 PRO A 24 53.115 125.286 61.662 1.00 51.23 H new ATOM 0 HG2 PRO A 24 52.080 127.175 59.568 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.719 125.476 59.796 1.00 51.05 H new ATOM 0 HD2 PRO A 24 50.016 127.447 60.605 1.00 49.44 H new ATOM 0 HD3 PRO A 24 50.106 125.899 61.422 1.00 49.44 H new ATOM 319 N ASP A 25 52.770 129.553 61.436 1.00 0.00 N ATOM 320 CA ASP A 25 53.421 130.862 61.112 1.00 0.00 C ATOM 321 C ASP A 25 53.745 131.645 62.391 1.00 0.00 C ATOM 322 O ASP A 25 54.628 132.483 62.398 1.00 0.00 O ATOM 323 CB ASP A 25 52.416 131.621 60.244 1.00 0.00 C ATOM 324 CG ASP A 25 53.086 132.865 59.656 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.368 133.777 60.417 1.00 0.00 O ATOM 326 OD2 ASP A 25 53.306 132.885 58.457 1.00 0.00 O ATOM 0 H ASP A 25 51.807 129.455 61.114 1.00 0.00 H new ATOM 0 HA ASP A 25 54.369 130.720 60.593 1.00 0.00 H new ATOM 0 HB2 ASP A 25 52.053 130.978 59.443 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.550 131.909 60.839 1.00 0.00 H new ATOM 331 N GLU A 26 53.042 131.387 63.466 1.00 0.00 N ATOM 332 CA GLU A 26 53.321 132.128 64.737 1.00 0.00 C ATOM 333 C GLU A 26 54.053 131.228 65.742 1.00 0.00 C ATOM 334 O GLU A 26 53.999 131.454 66.936 1.00 0.00 O ATOM 335 CB GLU A 26 51.946 132.523 65.274 1.00 0.00 C ATOM 336 CG GLU A 26 51.333 133.598 64.371 1.00 0.00 C ATOM 337 CD GLU A 26 49.951 134.005 64.900 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.369 133.241 65.655 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.496 135.078 64.537 1.00 0.00 O ATOM 0 H GLU A 26 52.291 130.699 63.520 1.00 0.00 H new ATOM 0 HA GLU A 26 53.962 132.994 64.571 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.294 131.650 65.312 1.00 0.00 H new ATOM 0 HB3 GLU A 26 52.036 132.898 66.294 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.988 134.469 64.333 1.00 0.00 H new ATOM 0 HG3 GLU A 26 51.245 133.221 63.352 1.00 0.00 H new ATOM 346 N GLY A 27 54.733 130.215 65.267 1.00 0.00 N ATOM 347 CA GLY A 27 55.470 129.299 66.189 1.00 0.00 C ATOM 348 C GLY A 27 54.471 128.476 67.008 1.00 0.00 C ATOM 349 O GLY A 27 54.748 128.082 68.125 1.00 0.00 O ATOM 0 H GLY A 27 54.809 129.983 64.277 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.119 128.636 65.616 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.112 129.877 66.854 1.00 0.00 H new ATOM 353 N ARG A 28 53.315 128.214 66.455 1.00 0.00 N ATOM 354 CA ARG A 28 52.290 127.414 67.188 1.00 0.00 C ATOM 355 C ARG A 28 51.931 126.157 66.390 1.00 0.00 C ATOM 356 O ARG A 28 51.059 126.181 65.540 1.00 0.00 O ATOM 357 CB ARG A 28 51.080 128.338 67.315 1.00 0.00 C ATOM 358 CG ARG A 28 51.397 129.457 68.309 1.00 0.00 C ATOM 359 CD ARG A 28 50.186 130.385 68.438 1.00 0.00 C ATOM 360 NE ARG A 28 50.602 131.425 69.420 1.00 0.00 N ATOM 361 CZ ARG A 28 50.160 131.380 70.647 1.00 0.00 C ATOM 362 NH1 ARG A 28 50.509 130.395 71.430 1.00 0.00 N ATOM 363 NH2 ARG A 28 49.368 132.318 71.091 1.00 0.00 N ATOM 0 H ARG A 28 53.036 128.521 65.523 1.00 0.00 H new ATOM 0 HA ARG A 28 52.646 127.078 68.162 1.00 0.00 H new ATOM 0 HB2 ARG A 28 50.828 128.761 66.343 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.211 127.773 67.652 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.649 129.033 69.281 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.267 130.021 67.972 1.00 0.00 H new ATOM 0 HD2 ARG A 28 49.926 130.830 67.478 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.308 129.842 68.786 1.00 0.00 H new ATOM 0 HE ARG A 28 51.233 132.173 69.133 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.127 129.661 71.082 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.164 130.359 72.389 1.00 0.00 H new ATOM 0 HH21 ARG A 28 49.094 133.087 70.479 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.023 132.282 72.050 1.00 0.00 H new ATOM 377 N TYR A 29 52.586 125.060 66.673 1.00 46.07 N ATOM 378 CA TYR A 29 52.280 123.788 65.948 1.00 43.41 C ATOM 379 C TYR A 29 51.480 122.868 66.875 1.00 41.37 C ATOM 380 O TYR A 29 51.841 122.673 68.020 1.00 39.95 O ATOM 381 CB TYR A 29 53.641 123.162 65.619 1.00 43.56 C ATOM 382 CG TYR A 29 54.486 124.132 64.823 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.246 125.102 65.488 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.516 124.057 63.426 1.00 44.01 C ATOM 385 CE1 TYR A 29 56.035 125.998 64.756 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.305 124.954 62.694 1.00 42.98 C ATOM 387 CZ TYR A 29 56.064 125.924 63.359 1.00 43.35 C ATOM 388 OH TYR A 29 56.841 126.806 62.637 1.00 43.13 O ATOM 0 H TYR A 29 53.321 124.989 67.376 1.00 46.07 H new ATOM 0 HA TYR A 29 51.692 123.951 65.045 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.157 122.891 66.540 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.498 122.243 65.051 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.224 125.159 66.566 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.931 123.308 62.912 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.621 126.746 65.270 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.328 124.897 61.616 1.00 42.98 H new ATOM 0 HH TYR A 29 56.316 127.606 62.425 1.00 43.13 H new ATOM 398 N ALA A 30 50.389 122.317 66.399 1.00 0.00 N ATOM 399 CA ALA A 30 49.565 121.431 67.280 1.00 0.00 C ATOM 400 C ALA A 30 49.484 120.004 66.725 1.00 0.00 C ATOM 401 O ALA A 30 49.008 119.781 65.630 1.00 0.00 O ATOM 402 CB ALA A 30 48.180 122.076 67.309 1.00 0.00 C ATOM 0 H ALA A 30 50.037 122.440 65.450 1.00 0.00 H new ATOM 0 HA ALA A 30 50.001 121.342 68.275 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.515 121.483 67.937 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.257 123.085 67.714 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.778 122.121 66.297 1.00 0.00 H new ATOM 408 N PHE A 31 49.930 119.039 67.490 1.00 36.58 N ATOM 409 CA PHE A 31 49.863 117.618 67.034 1.00 36.29 C ATOM 410 C PHE A 31 48.947 116.819 67.966 1.00 35.25 C ATOM 411 O PHE A 31 49.050 116.919 69.175 1.00 34.09 O ATOM 412 CB PHE A 31 51.294 117.085 67.125 1.00 36.39 C ATOM 413 CG PHE A 31 52.138 117.676 66.023 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.765 118.913 66.206 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.298 116.982 64.818 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.553 119.456 65.184 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.085 117.526 63.795 1.00 37.25 C ATOM 418 CZ PHE A 31 53.713 118.763 63.978 1.00 36.45 C ATOM 0 H PHE A 31 50.339 119.176 68.414 1.00 36.58 H new ATOM 0 HA PHE A 31 49.466 117.534 66.022 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.722 117.335 68.096 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.291 115.998 67.048 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.641 119.449 67.135 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.814 116.027 64.677 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.038 120.410 65.326 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.207 116.991 62.865 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.320 119.183 63.190 1.00 36.45 H new ATOM 428 N ALA A 32 48.071 116.014 67.422 1.00 34.06 N ATOM 429 CA ALA A 32 47.166 115.188 68.278 1.00 32.35 C ATOM 430 C ALA A 32 47.559 113.719 68.128 1.00 31.25 C ATOM 431 O ALA A 32 47.757 113.242 67.026 1.00 31.96 O ATOM 432 CB ALA A 32 45.762 115.426 67.722 1.00 32.65 C ATOM 0 H ALA A 32 47.943 115.892 66.417 1.00 34.06 H new ATOM 0 HA ALA A 32 47.223 115.447 69.335 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.039 114.851 68.301 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.519 116.486 67.789 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.725 115.111 66.679 1.00 32.65 H new ATOM 438 N TYR A 33 47.695 112.999 69.216 1.00 29.03 N ATOM 439 CA TYR A 33 48.102 111.563 69.096 1.00 27.15 C ATOM 440 C TYR A 33 47.139 110.643 69.852 1.00 26.72 C ATOM 441 O TYR A 33 46.635 110.983 70.905 1.00 28.24 O ATOM 442 CB TYR A 33 49.531 111.495 69.664 1.00 26.09 C ATOM 443 CG TYR A 33 49.545 111.705 71.165 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.392 112.988 71.701 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.728 110.610 72.016 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.420 113.172 73.089 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.760 110.795 73.402 1.00 25.85 C ATOM 448 CZ TYR A 33 49.605 112.076 73.939 1.00 27.60 C ATOM 449 OH TYR A 33 49.640 112.258 75.307 1.00 28.81 O ATOM 0 H TYR A 33 47.545 113.336 70.167 1.00 29.03 H new ATOM 0 HA TYR A 33 48.072 111.219 68.062 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.972 110.526 69.427 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.150 112.253 69.184 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.253 113.835 71.046 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.845 109.619 71.602 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.299 114.162 73.504 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.904 109.948 74.057 1.00 25.85 H new ATOM 0 HH TYR A 33 48.725 112.324 75.652 1.00 28.81 H new ATOM 459 N SER A 34 46.891 109.474 69.316 1.00 0.00 N ATOM 460 CA SER A 34 45.968 108.513 69.990 1.00 0.00 C ATOM 461 C SER A 34 46.783 107.406 70.662 1.00 0.00 C ATOM 462 O SER A 34 47.767 106.937 70.125 1.00 0.00 O ATOM 463 CB SER A 34 45.099 107.941 68.872 1.00 0.00 C ATOM 464 OG SER A 34 44.218 108.952 68.399 1.00 0.00 O ATOM 0 H SER A 34 47.290 109.144 68.437 1.00 0.00 H new ATOM 0 HA SER A 34 45.363 108.986 70.764 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.726 107.578 68.057 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.529 107.088 69.239 1.00 0.00 H new ATOM 0 HG SER A 34 43.660 108.589 67.680 1.00 0.00 H new ATOM 470 N ILE A 35 46.389 107.003 71.841 1.00 0.00 N ATOM 471 CA ILE A 35 47.139 105.941 72.577 1.00 0.00 C ATOM 472 C ILE A 35 46.392 104.601 72.559 1.00 0.00 C ATOM 473 O ILE A 35 45.208 104.524 72.826 1.00 0.00 O ATOM 474 CB ILE A 35 47.227 106.488 74.012 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.059 107.782 74.013 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.884 105.456 74.942 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.483 107.502 73.509 1.00 0.00 C ATOM 0 H ILE A 35 45.572 107.367 72.331 1.00 0.00 H new ATOM 0 HA ILE A 35 48.112 105.739 72.129 1.00 0.00 H new ATOM 0 HB ILE A 35 46.220 106.694 74.374 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.582 108.529 73.379 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.098 108.197 75.020 1.00 0.00 H new ATOM 0 HG21 ILE A 35 47.938 105.860 75.953 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.291 104.542 74.948 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.890 105.234 74.586 1.00 0.00 H new ATOM 0 HD11 ILE A 35 50.060 108.427 73.515 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.962 106.771 74.160 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.439 107.109 72.493 1.00 0.00 H new ATOM 489 N ARG A 36 47.102 103.549 72.244 1.00 25.30 N ATOM 490 CA ARG A 36 46.485 102.191 72.199 1.00 25.64 C ATOM 491 C ARG A 36 47.238 101.252 73.145 1.00 23.79 C ATOM 492 O ARG A 36 48.274 100.713 72.811 1.00 25.11 O ATOM 493 CB ARG A 36 46.640 101.732 70.748 1.00 28.66 C ATOM 494 CG ARG A 36 45.719 102.557 69.847 1.00 34.24 C ATOM 495 CD ARG A 36 45.877 102.096 68.397 1.00 37.45 C ATOM 496 NE ARG A 36 44.945 102.957 67.617 1.00 40.12 N ATOM 497 CZ ARG A 36 43.887 102.435 67.058 1.00 40.24 C ATOM 498 NH1 ARG A 36 42.941 101.927 67.800 1.00 39.07 N ATOM 499 NH2 ARG A 36 43.775 102.420 65.758 1.00 39.81 N ATOM 0 H ARG A 36 48.095 103.574 72.013 1.00 25.30 H new ATOM 0 HA ARG A 36 45.441 102.195 72.511 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.676 101.847 70.429 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.395 100.673 70.663 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.683 102.442 70.165 1.00 34.24 H new ATOM 0 HG3 ARG A 36 45.963 103.616 69.932 1.00 34.24 H new ATOM 0 HD2 ARG A 36 46.905 102.215 68.054 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.625 101.041 68.288 1.00 37.45 H new ATOM 0 HE ARG A 36 45.133 103.955 67.520 1.00 40.12 H new ATOM 0 HH11 ARG A 36 43.029 101.938 68.816 1.00 39.07 H new ATOM 0 HH12 ARG A 36 42.114 101.519 67.364 1.00 39.07 H new ATOM 0 HH21 ARG A 36 44.514 102.816 65.178 1.00 39.81 H new ATOM 0 HH22 ARG A 36 42.948 102.012 65.322 1.00 39.81 H new ATOM 513 N ILE A 37 46.717 101.066 74.329 1.00 20.73 N ATOM 514 CA ILE A 37 47.381 100.173 75.330 1.00 18.17 C ATOM 515 C ILE A 37 46.839 98.744 75.219 1.00 17.71 C ATOM 516 O ILE A 37 45.674 98.494 75.457 1.00 15.34 O ATOM 517 CB ILE A 37 47.024 100.777 76.694 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.522 102.225 76.765 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.693 99.967 77.810 1.00 14.36 C ATOM 520 CD1 ILE A 37 46.945 102.903 78.009 1.00 16.07 C ATOM 0 H ILE A 37 45.851 101.498 74.651 1.00 20.73 H new ATOM 0 HA ILE A 37 48.458 100.113 75.175 1.00 18.17 H new ATOM 0 HB ILE A 37 45.941 100.753 76.819 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.611 102.245 76.799 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.221 102.768 75.869 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.437 100.399 78.777 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.344 98.935 77.770 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.775 99.990 77.678 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.299 103.933 78.060 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.856 102.896 77.955 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.268 102.364 78.900 1.00 16.07 H new ATOM 532 N GLN A 38 47.684 97.803 74.880 1.00 0.00 N ATOM 533 CA GLN A 38 47.236 96.380 74.776 1.00 0.00 C ATOM 534 C GLN A 38 47.997 95.529 75.798 1.00 0.00 C ATOM 535 O GLN A 38 49.198 95.654 75.956 1.00 0.00 O ATOM 536 CB GLN A 38 47.563 95.951 73.345 1.00 0.00 C ATOM 537 CG GLN A 38 47.109 94.507 73.125 1.00 0.00 C ATOM 538 CD GLN A 38 47.438 94.080 71.693 1.00 0.00 C ATOM 539 OE1 GLN A 38 48.548 94.258 71.234 1.00 0.00 O ATOM 540 NE2 GLN A 38 46.512 93.520 70.964 1.00 0.00 N ATOM 0 H GLN A 38 48.670 97.960 74.670 1.00 0.00 H new ATOM 0 HA GLN A 38 46.173 96.258 74.986 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.066 96.611 72.634 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.635 96.037 73.165 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.606 93.846 73.836 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.037 94.420 73.304 1.00 0.00 H new ATOM 0 HE21 GLN A 38 45.580 93.371 71.350 1.00 0.00 H new ATOM 0 HE22 GLN A 38 46.720 93.232 70.008 1.00 0.00 H new ATOM 549 N ASN A 39 47.295 94.673 76.499 1.00 15.86 N ATOM 550 CA ASN A 39 47.959 93.816 77.527 1.00 17.88 C ATOM 551 C ASN A 39 48.362 92.465 76.926 1.00 18.37 C ATOM 552 O ASN A 39 47.522 91.693 76.505 1.00 18.69 O ATOM 553 CB ASN A 39 46.925 93.630 78.636 1.00 19.10 C ATOM 554 CG ASN A 39 47.570 92.906 79.820 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.486 92.126 79.645 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.131 93.134 81.027 1.00 19.13 N ATOM 0 H ASN A 39 46.289 94.531 76.403 1.00 15.86 H new ATOM 0 HA ASN A 39 48.873 94.274 77.904 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.540 94.599 78.955 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.076 93.056 78.264 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.556 92.658 81.823 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.363 93.788 81.175 1.00 19.13 H new ATOM 563 N ALA A 40 49.636 92.170 76.900 1.00 0.00 N ATOM 564 CA ALA A 40 50.095 90.859 76.348 1.00 0.00 C ATOM 565 C ALA A 40 50.750 90.010 77.451 1.00 0.00 C ATOM 566 O ALA A 40 51.371 89.001 77.172 1.00 0.00 O ATOM 567 CB ALA A 40 51.111 91.213 75.261 1.00 0.00 C ATOM 0 H ALA A 40 50.380 92.781 77.238 1.00 0.00 H new ATOM 0 HA ALA A 40 49.268 90.271 75.951 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.493 90.298 74.809 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.629 91.822 74.496 1.00 0.00 H new ATOM 0 HB3 ALA A 40 51.936 91.772 75.702 1.00 0.00 H new ATOM 573 N GLY A 41 50.615 90.404 78.698 1.00 27.60 N ATOM 574 CA GLY A 41 51.224 89.614 79.809 1.00 28.62 C ATOM 575 C GLY A 41 50.277 88.481 80.206 1.00 29.10 C ATOM 576 O GLY A 41 49.180 88.370 79.691 1.00 28.18 O ATOM 0 H GLY A 41 50.108 91.240 78.990 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.185 89.206 79.496 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.416 90.259 80.666 1.00 28.62 H new ATOM 580 N ALA A 42 50.693 87.638 81.117 1.00 0.00 N ATOM 581 CA ALA A 42 49.822 86.507 81.554 1.00 0.00 C ATOM 582 C ALA A 42 48.891 86.961 82.675 1.00 0.00 C ATOM 583 O ALA A 42 47.734 86.589 82.732 1.00 0.00 O ATOM 584 CB ALA A 42 50.792 85.441 82.064 1.00 0.00 C ATOM 0 H ALA A 42 51.602 87.685 81.578 1.00 0.00 H new ATOM 0 HA ALA A 42 49.190 86.135 80.748 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.230 84.572 82.406 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.464 85.145 81.258 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.374 85.845 82.892 1.00 0.00 H new ATOM 590 N VAL A 43 49.401 87.763 83.565 1.00 0.00 N ATOM 591 CA VAL A 43 48.574 88.262 84.706 1.00 0.00 C ATOM 592 C VAL A 43 48.068 89.681 84.401 1.00 0.00 C ATOM 593 O VAL A 43 48.788 90.484 83.841 1.00 0.00 O ATOM 594 CB VAL A 43 49.524 88.252 85.911 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.817 88.798 87.152 1.00 0.00 C ATOM 596 CG2 VAL A 43 49.981 86.817 86.183 1.00 0.00 C ATOM 0 H VAL A 43 50.364 88.099 83.554 1.00 0.00 H new ATOM 0 HA VAL A 43 47.690 87.651 84.891 1.00 0.00 H new ATOM 0 HB VAL A 43 50.384 88.883 85.687 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.504 88.784 87.998 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.492 89.822 86.965 1.00 0.00 H new ATOM 0 HG13 VAL A 43 47.950 88.178 87.379 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.656 86.806 87.039 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.113 86.193 86.398 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.500 86.428 85.307 1.00 0.00 H new ATOM 606 N PRO A 44 46.828 89.941 84.773 1.00 21.08 N ATOM 607 CA PRO A 44 46.258 91.298 84.499 1.00 21.01 C ATOM 608 C PRO A 44 47.152 92.413 85.058 1.00 21.95 C ATOM 609 O PRO A 44 47.771 92.273 86.099 1.00 21.40 O ATOM 610 CB PRO A 44 44.900 91.280 85.196 1.00 20.53 C ATOM 611 CG PRO A 44 45.041 90.244 86.251 1.00 18.90 C ATOM 612 CD PRO A 44 45.923 89.183 85.660 1.00 19.89 C ATOM 0 HA PRO A 44 46.180 91.502 83.431 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.660 92.253 85.624 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.099 91.032 84.500 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.483 90.663 87.155 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.070 89.835 86.531 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.475 88.645 86.431 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.345 88.443 85.106 1.00 19.89 H new ATOM 620 N ALA A 45 47.218 93.516 84.358 1.00 20.91 N ATOM 621 CA ALA A 45 48.065 94.657 84.808 1.00 19.47 C ATOM 622 C ALA A 45 47.353 95.993 84.575 1.00 19.21 C ATOM 623 O ALA A 45 46.536 96.133 83.681 1.00 19.53 O ATOM 624 CB ALA A 45 49.318 94.572 83.938 1.00 18.37 C ATOM 0 H ALA A 45 46.715 93.675 83.485 1.00 20.91 H new ATOM 0 HA ALA A 45 48.287 94.604 85.874 1.00 19.47 H new ATOM 0 HB1 ALA A 45 50.001 95.379 84.203 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.810 93.613 84.101 1.00 18.37 H new ATOM 0 HB3 ALA A 45 49.039 94.663 82.888 1.00 18.37 H new ATOM 630 N ARG A 46 47.667 96.974 85.381 1.00 0.00 N ATOM 631 CA ARG A 46 47.028 98.313 85.230 1.00 0.00 C ATOM 632 C ARG A 46 48.106 99.399 85.160 1.00 0.00 C ATOM 633 O ARG A 46 49.221 99.202 85.608 1.00 0.00 O ATOM 634 CB ARG A 46 46.155 98.485 86.480 1.00 0.00 C ATOM 635 CG ARG A 46 47.018 98.423 87.744 1.00 0.00 C ATOM 636 CD ARG A 46 46.128 98.595 88.976 1.00 0.00 C ATOM 637 NE ARG A 46 47.072 98.693 90.123 1.00 0.00 N ATOM 638 CZ ARG A 46 47.179 97.705 90.969 1.00 0.00 C ATOM 639 NH1 ARG A 46 47.570 96.530 90.553 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.894 97.889 92.228 1.00 0.00 N ATOM 0 H ARG A 46 48.343 96.903 86.142 1.00 0.00 H new ATOM 0 HA ARG A 46 46.437 98.394 84.317 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.630 99.439 86.437 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.395 97.704 86.512 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.544 97.470 87.792 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.777 99.205 87.718 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.511 99.490 88.895 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.450 97.750 89.094 1.00 0.00 H new ATOM 0 HE ARG A 46 47.636 99.534 90.248 1.00 0.00 H new ATOM 0 HH11 ARG A 46 47.791 96.385 89.568 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.654 95.757 91.213 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.587 98.806 92.553 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.978 97.116 92.888 1.00 0.00 H new ATOM 654 N LEU A 47 47.785 100.538 84.605 1.00 0.00 N ATOM 655 CA LEU A 47 48.794 101.636 84.510 1.00 0.00 C ATOM 656 C LEU A 47 48.556 102.636 85.646 1.00 0.00 C ATOM 657 O LEU A 47 47.511 103.253 85.730 1.00 0.00 O ATOM 658 CB LEU A 47 48.546 102.279 83.143 1.00 0.00 C ATOM 659 CG LEU A 47 49.758 103.120 82.741 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.740 103.351 81.229 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.704 104.468 83.458 1.00 0.00 C ATOM 0 H LEU A 47 46.869 100.756 84.213 1.00 0.00 H new ATOM 0 HA LEU A 47 49.822 101.286 84.601 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.363 101.507 82.395 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.654 102.904 83.181 1.00 0.00 H new ATOM 0 HG LEU A 47 50.671 102.594 83.020 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.604 103.951 80.942 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.777 102.391 80.714 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.826 103.876 80.952 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.568 105.067 83.171 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.790 104.992 83.179 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.715 104.307 84.536 1.00 0.00 H new ATOM 673 N VAL A 48 49.510 102.781 86.533 1.00 0.00 N ATOM 674 CA VAL A 48 49.333 103.719 87.686 1.00 0.00 C ATOM 675 C VAL A 48 50.026 105.062 87.428 1.00 0.00 C ATOM 676 O VAL A 48 49.603 106.084 87.940 1.00 0.00 O ATOM 677 CB VAL A 48 49.974 103.003 88.882 1.00 0.00 C ATOM 678 CG1 VAL A 48 49.835 103.868 90.139 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.269 101.664 89.117 1.00 0.00 C ATOM 0 H VAL A 48 50.404 102.290 86.509 1.00 0.00 H new ATOM 0 HA VAL A 48 48.281 103.950 87.855 1.00 0.00 H new ATOM 0 HB VAL A 48 51.030 102.832 88.670 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.292 103.355 90.986 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.335 104.823 89.980 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.779 104.041 90.346 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.726 101.157 89.967 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.213 101.840 89.324 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.366 101.041 88.228 1.00 0.00 H new ATOM 689 N ALA A 49 51.094 105.076 86.662 1.00 0.00 N ATOM 690 CA ALA A 49 51.802 106.372 86.416 1.00 0.00 C ATOM 691 C ALA A 49 52.270 106.505 84.963 1.00 0.00 C ATOM 692 O ALA A 49 52.336 105.545 84.220 1.00 0.00 O ATOM 693 CB ALA A 49 53.001 106.348 87.364 1.00 0.00 C ATOM 0 H ALA A 49 51.499 104.260 86.204 1.00 0.00 H new ATOM 0 HA ALA A 49 51.142 107.222 86.591 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.576 107.267 87.247 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.650 106.269 88.393 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.633 105.492 87.129 1.00 0.00 H new ATOM 699 N ARG A 50 52.595 107.708 84.570 1.00 18.13 N ATOM 700 CA ARG A 50 53.069 107.969 83.177 1.00 20.89 C ATOM 701 C ARG A 50 54.171 109.035 83.172 1.00 22.46 C ATOM 702 O ARG A 50 54.124 110.004 83.907 1.00 23.35 O ATOM 703 CB ARG A 50 51.826 108.466 82.424 1.00 21.09 C ATOM 704 CG ARG A 50 51.338 109.797 83.015 1.00 22.20 C ATOM 705 CD ARG A 50 49.902 110.066 82.557 1.00 26.75 C ATOM 706 NE ARG A 50 49.815 111.545 82.395 1.00 26.68 N ATOM 707 CZ ARG A 50 48.648 112.122 82.303 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.014 112.489 83.383 1.00 27.75 N ATOM 709 NH2 ARG A 50 48.115 112.333 81.130 1.00 29.05 N ATOM 0 H ARG A 50 52.552 108.535 85.165 1.00 18.13 H new ATOM 0 HA ARG A 50 53.498 107.080 82.715 1.00 20.89 H new ATOM 0 HB2 ARG A 50 52.060 108.594 81.367 1.00 21.09 H new ATOM 0 HB3 ARG A 50 51.033 107.721 82.486 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.383 109.761 84.104 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.991 110.609 82.696 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.685 109.554 81.620 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.181 109.707 83.291 1.00 26.75 H new ATOM 0 HE ARG A 50 50.666 112.105 82.356 1.00 26.68 H new ATOM 0 HH11 ARG A 50 48.431 112.325 84.300 1.00 27.75 H new ATOM 0 HH12 ARG A 50 47.102 112.940 83.311 1.00 27.75 H new ATOM 0 HH21 ARG A 50 48.611 112.047 80.286 1.00 29.05 H new ATOM 0 HH22 ARG A 50 47.203 112.784 81.058 1.00 29.05 H new ATOM 723 N HIS A 51 55.158 108.853 82.335 1.00 22.89 N ATOM 724 CA HIS A 51 56.276 109.835 82.246 1.00 23.99 C ATOM 725 C HIS A 51 56.746 109.941 80.791 1.00 24.58 C ATOM 726 O HIS A 51 57.297 109.010 80.234 1.00 24.14 O ATOM 727 CB HIS A 51 57.380 109.271 83.144 1.00 22.92 C ATOM 728 CG HIS A 51 58.565 110.199 83.139 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.833 109.782 83.512 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.688 111.526 82.809 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.657 110.840 83.398 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.010 111.928 82.973 1.00 25.48 N ATOM 0 H HIS A 51 55.237 108.057 81.703 1.00 22.89 H new ATOM 0 HA HIS A 51 55.985 110.837 82.563 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.007 109.148 84.161 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.678 108.283 82.792 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.094 108.844 83.817 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.882 112.161 82.473 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.713 110.812 83.623 1.00 26.28 H new ATOM 740 N TRP A 52 56.523 111.072 80.177 1.00 24.73 N ATOM 741 CA TRP A 52 56.937 111.270 78.757 1.00 24.73 C ATOM 742 C TRP A 52 58.257 112.043 78.666 1.00 25.24 C ATOM 743 O TRP A 52 58.464 113.031 79.344 1.00 25.25 O ATOM 744 CB TRP A 52 55.810 112.104 78.145 1.00 22.37 C ATOM 745 CG TRP A 52 54.694 111.208 77.716 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.518 111.058 78.368 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.633 110.332 76.553 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.738 110.146 77.677 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.383 109.672 76.550 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.534 110.052 75.509 1.00 19.22 C ATOM 751 CZ2 TRP A 52 53.037 108.765 75.548 1.00 19.14 C ATOM 752 CZ3 TRP A 52 55.189 109.140 74.498 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.944 108.498 74.518 1.00 18.33 C ATOM 0 H TRP A 52 56.066 111.877 80.604 1.00 24.73 H new ATOM 0 HA TRP A 52 57.095 110.320 78.247 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.447 112.830 78.872 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.185 112.668 77.291 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.234 111.566 79.278 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.802 109.859 77.964 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.497 110.541 75.485 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 52.076 108.273 75.568 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.887 108.933 73.701 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.685 107.797 73.738 1.00 18.33 H new ATOM 764 N GLN A 53 59.141 111.597 77.813 1.00 0.00 N ATOM 765 CA GLN A 53 60.453 112.287 77.637 1.00 0.00 C ATOM 766 C GLN A 53 60.521 112.861 76.220 1.00 0.00 C ATOM 767 O GLN A 53 61.090 112.261 75.325 1.00 0.00 O ATOM 768 CB GLN A 53 61.504 111.191 77.821 1.00 0.00 C ATOM 769 CG GLN A 53 61.537 110.758 79.288 1.00 0.00 C ATOM 770 CD GLN A 53 62.585 109.658 79.473 1.00 0.00 C ATOM 771 OE1 GLN A 53 62.720 108.786 78.639 1.00 0.00 O ATOM 772 NE2 GLN A 53 63.337 109.664 80.539 1.00 0.00 N ATOM 0 H GLN A 53 59.008 110.775 77.224 1.00 0.00 H new ATOM 0 HA GLN A 53 60.603 113.107 78.339 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.271 110.338 77.184 1.00 0.00 H new ATOM 0 HB3 GLN A 53 62.484 111.557 77.517 1.00 0.00 H new ATOM 0 HG2 GLN A 53 61.773 111.611 79.925 1.00 0.00 H new ATOM 0 HG3 GLN A 53 60.556 110.395 79.593 1.00 0.00 H new ATOM 0 HE21 GLN A 53 63.223 110.397 81.239 1.00 0.00 H new ATOM 0 HE22 GLN A 53 64.039 108.936 80.672 1.00 0.00 H new ATOM 781 N ILE A 54 59.914 114.001 76.001 1.00 28.56 N ATOM 782 CA ILE A 54 59.908 114.603 74.630 1.00 31.69 C ATOM 783 C ILE A 54 61.198 115.396 74.354 1.00 31.35 C ATOM 784 O ILE A 54 61.586 116.271 75.106 1.00 31.20 O ATOM 785 CB ILE A 54 58.639 115.506 74.562 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.840 116.829 75.326 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.421 114.767 75.146 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.635 117.743 75.091 1.00 36.11 C ATOM 0 H ILE A 54 59.422 114.542 76.712 1.00 28.56 H new ATOM 0 HA ILE A 54 59.877 113.833 73.859 1.00 31.69 H new ATOM 0 HB ILE A 54 58.464 115.735 73.511 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.958 116.632 76.391 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.753 117.320 74.990 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.544 115.411 75.091 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.239 113.857 74.574 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.617 114.509 76.187 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.777 118.679 75.631 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.538 117.951 74.025 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.730 117.251 75.449 1.00 36.11 H new ATOM 800 N THR A 55 61.848 115.099 73.259 1.00 32.39 N ATOM 801 CA THR A 55 63.090 115.838 72.883 1.00 32.79 C ATOM 802 C THR A 55 62.864 116.489 71.517 1.00 33.98 C ATOM 803 O THR A 55 62.423 115.854 70.577 1.00 33.62 O ATOM 804 CB THR A 55 64.213 114.796 72.842 1.00 32.44 C ATOM 805 OG1 THR A 55 64.371 114.224 74.131 1.00 30.14 O ATOM 806 CG2 THR A 55 65.524 115.458 72.407 1.00 31.51 C ATOM 0 H THR A 55 61.569 114.369 72.603 1.00 32.39 H new ATOM 0 HA THR A 55 63.350 116.628 73.587 1.00 32.79 H new ATOM 0 HB THR A 55 63.955 114.016 72.126 1.00 32.44 H new ATOM 0 HG1 THR A 55 65.088 113.556 74.107 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.317 114.711 72.380 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.401 115.892 71.415 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.788 116.243 73.116 1.00 31.51 H new ATOM 814 N ASP A 56 63.142 117.765 71.420 1.00 36.19 N ATOM 815 CA ASP A 56 62.922 118.489 70.136 1.00 38.66 C ATOM 816 C ASP A 56 64.183 118.472 69.267 1.00 38.50 C ATOM 817 O ASP A 56 65.243 118.049 69.687 1.00 37.75 O ATOM 818 CB ASP A 56 62.555 119.917 70.543 1.00 41.21 C ATOM 819 CG ASP A 56 61.944 120.655 69.352 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.699 121.086 68.496 1.00 43.86 O ATOM 821 OD2 ASP A 56 60.731 120.777 69.314 1.00 45.04 O ATOM 0 H ASP A 56 63.513 118.336 72.179 1.00 36.19 H new ATOM 0 HA ASP A 56 62.140 118.022 69.537 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.848 119.898 71.372 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.442 120.444 70.893 1.00 41.21 H new ATOM 826 N GLY A 57 64.058 118.921 68.044 1.00 37.51 N ATOM 827 CA GLY A 57 65.214 118.940 67.099 1.00 38.01 C ATOM 828 C GLY A 57 66.362 119.840 67.600 1.00 39.47 C ATOM 829 O GLY A 57 67.426 119.853 67.008 1.00 38.99 O ATOM 0 H GLY A 57 63.187 119.282 67.654 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.585 117.924 66.961 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.878 119.292 66.124 1.00 38.01 H new ATOM 833 N ASN A 58 66.186 120.574 68.681 1.00 0.00 N ATOM 834 CA ASN A 58 67.307 121.432 69.183 1.00 0.00 C ATOM 835 C ASN A 58 68.007 120.774 70.390 1.00 0.00 C ATOM 836 O ASN A 58 68.891 121.356 70.990 1.00 0.00 O ATOM 837 CB ASN A 58 66.669 122.770 69.570 1.00 0.00 C ATOM 838 CG ASN A 58 65.582 122.550 70.630 1.00 0.00 C ATOM 839 OD1 ASN A 58 65.523 121.509 71.255 1.00 0.00 O ATOM 840 ND2 ASN A 58 64.712 123.494 70.857 1.00 0.00 N ATOM 0 H ASN A 58 65.326 120.614 69.228 1.00 0.00 H new ATOM 0 HA ASN A 58 68.078 121.568 68.424 1.00 0.00 H new ATOM 0 HB2 ASN A 58 67.431 123.447 69.955 1.00 0.00 H new ATOM 0 HB3 ASN A 58 66.237 123.244 68.689 1.00 0.00 H new ATOM 0 HD21 ASN A 58 63.984 123.358 71.558 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.760 124.368 70.334 1.00 0.00 H new ATOM 847 N GLY A 59 67.638 119.559 70.731 1.00 0.00 N ATOM 848 CA GLY A 59 68.302 118.859 71.874 1.00 0.00 C ATOM 849 C GLY A 59 67.546 119.098 73.186 1.00 0.00 C ATOM 850 O GLY A 59 67.531 118.244 74.055 1.00 0.00 O ATOM 0 H GLY A 59 66.905 119.024 70.265 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.351 117.789 71.669 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.328 119.212 71.973 1.00 0.00 H new ATOM 854 N ARG A 60 66.926 120.242 73.349 1.00 49.10 N ATOM 855 CA ARG A 60 66.183 120.516 74.625 1.00 50.05 C ATOM 856 C ARG A 60 65.078 119.472 74.818 1.00 49.79 C ATOM 857 O ARG A 60 64.452 119.042 73.866 1.00 48.27 O ATOM 858 CB ARG A 60 65.582 121.918 74.452 1.00 52.38 C ATOM 859 CG ARG A 60 66.329 122.922 75.345 1.00 55.08 C ATOM 860 CD ARG A 60 67.213 123.830 74.481 1.00 57.97 C ATOM 861 NE ARG A 60 66.269 124.542 73.575 1.00 60.72 N ATOM 862 CZ ARG A 60 65.923 125.774 73.833 1.00 61.65 C ATOM 863 NH1 ARG A 60 65.133 126.033 74.840 1.00 62.78 N ATOM 864 NH2 ARG A 60 66.365 126.746 73.083 1.00 61.80 N ATOM 0 H ARG A 60 66.901 120.994 72.661 1.00 49.10 H new ATOM 0 HA ARG A 60 66.830 120.464 75.501 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.650 122.226 73.409 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.524 121.904 74.712 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.615 123.523 75.908 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.941 122.390 76.073 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.776 124.533 75.095 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.940 123.249 73.914 1.00 57.97 H new ATOM 0 HE ARG A 60 65.893 124.067 72.754 1.00 60.72 H new ATOM 0 HH11 ARG A 60 64.786 125.273 75.425 1.00 62.78 H new ATOM 0 HH12 ARG A 60 64.863 126.996 75.042 1.00 62.78 H new ATOM 0 HH21 ARG A 60 66.981 126.543 72.295 1.00 61.80 H new ATOM 0 HH22 ARG A 60 66.095 127.709 73.284 1.00 61.80 H new ATOM 878 N THR A 61 64.843 119.051 76.039 1.00 0.00 N ATOM 879 CA THR A 61 63.784 118.022 76.278 1.00 0.00 C ATOM 880 C THR A 61 62.875 118.436 77.439 1.00 0.00 C ATOM 881 O THR A 61 63.295 119.131 78.346 1.00 0.00 O ATOM 882 CB THR A 61 64.542 116.737 76.631 1.00 0.00 C ATOM 883 OG1 THR A 61 65.278 116.941 77.829 1.00 0.00 O ATOM 884 CG2 THR A 61 65.502 116.369 75.499 1.00 0.00 C ATOM 0 H THR A 61 65.335 119.373 76.873 1.00 0.00 H new ATOM 0 HA THR A 61 63.143 117.896 75.406 1.00 0.00 H new ATOM 0 HB THR A 61 63.828 115.925 76.770 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.763 116.121 78.059 1.00 0.00 H new ATOM 0 HG21 THR A 61 66.036 115.455 75.758 1.00 0.00 H new ATOM 0 HG22 THR A 61 64.937 116.211 74.580 1.00 0.00 H new ATOM 0 HG23 THR A 61 66.217 117.178 75.351 1.00 0.00 H new ATOM 892 N GLU A 62 61.638 118.011 77.418 1.00 0.00 N ATOM 893 CA GLU A 62 60.697 118.372 78.520 1.00 0.00 C ATOM 894 C GLU A 62 60.123 117.100 79.152 1.00 0.00 C ATOM 895 O GLU A 62 59.571 116.251 78.476 1.00 0.00 O ATOM 896 CB GLU A 62 59.590 119.187 77.849 1.00 0.00 C ATOM 897 CG GLU A 62 60.148 120.546 77.414 1.00 0.00 C ATOM 898 CD GLU A 62 59.049 121.375 76.737 1.00 0.00 C ATOM 899 OE1 GLU A 62 58.069 120.794 76.297 1.00 0.00 O ATOM 900 OE2 GLU A 62 59.207 122.583 76.671 1.00 0.00 O ATOM 0 H GLU A 62 61.238 117.428 76.683 1.00 0.00 H new ATOM 0 HA GLU A 62 61.185 118.934 79.316 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.200 118.649 76.985 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.758 119.328 78.539 1.00 0.00 H new ATOM 0 HG2 GLU A 62 60.537 121.082 78.280 1.00 0.00 H new ATOM 0 HG3 GLU A 62 60.982 120.402 76.727 1.00 0.00 H new ATOM 907 N GLN A 63 60.263 116.961 80.446 1.00 0.00 N ATOM 908 CA GLN A 63 59.739 115.742 81.136 1.00 0.00 C ATOM 909 C GLN A 63 58.415 116.045 81.842 1.00 0.00 C ATOM 910 O GLN A 63 58.270 117.054 82.506 1.00 0.00 O ATOM 911 CB GLN A 63 60.814 115.394 82.165 1.00 0.00 C ATOM 912 CG GLN A 63 62.062 114.878 81.445 1.00 0.00 C ATOM 913 CD GLN A 63 63.138 114.529 82.475 1.00 0.00 C ATOM 914 OE1 GLN A 63 62.842 113.981 83.518 1.00 0.00 O ATOM 915 NE2 GLN A 63 64.385 114.824 82.224 1.00 0.00 N ATOM 0 H GLN A 63 60.718 117.640 81.056 1.00 0.00 H new ATOM 0 HA GLN A 63 59.543 114.928 80.438 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.062 116.273 82.759 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.440 114.638 82.855 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.814 113.999 80.850 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.436 115.635 80.755 1.00 0.00 H new ATOM 0 HE21 GLN A 63 64.634 115.284 81.348 1.00 0.00 H new ATOM 0 HE22 GLN A 63 65.110 114.594 82.904 1.00 0.00 H new ATOM 924 N VAL A 64 57.448 115.174 81.698 1.00 37.94 N ATOM 925 CA VAL A 64 56.124 115.399 82.354 1.00 37.05 C ATOM 926 C VAL A 64 55.709 114.150 83.141 1.00 36.89 C ATOM 927 O VAL A 64 55.803 113.037 82.660 1.00 36.32 O ATOM 928 CB VAL A 64 55.144 115.681 81.210 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.744 115.927 81.777 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.603 116.922 80.438 1.00 35.74 C ATOM 0 H VAL A 64 57.519 114.315 81.153 1.00 37.94 H new ATOM 0 HA VAL A 64 56.150 116.225 83.065 1.00 37.05 H new ATOM 0 HB VAL A 64 55.117 114.821 80.540 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.051 116.127 80.960 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.414 115.045 82.326 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.769 116.784 82.450 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.906 117.123 79.624 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.632 117.779 81.111 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.598 116.748 80.029 1.00 35.74 H new ATOM 940 N ASP A 65 55.264 114.343 84.354 1.00 0.00 N ATOM 941 CA ASP A 65 54.847 113.190 85.209 1.00 0.00 C ATOM 942 C ASP A 65 53.412 113.386 85.714 1.00 0.00 C ATOM 943 O ASP A 65 53.085 114.402 86.298 1.00 0.00 O ATOM 944 CB ASP A 65 55.838 113.184 86.380 1.00 0.00 C ATOM 945 CG ASP A 65 55.768 114.517 87.137 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.025 115.539 86.523 1.00 0.00 O ATOM 947 OD2 ASP A 65 55.461 114.488 88.317 1.00 0.00 O ATOM 0 H ASP A 65 55.170 115.258 84.794 1.00 0.00 H new ATOM 0 HA ASP A 65 54.858 112.248 84.661 1.00 0.00 H new ATOM 0 HB2 ASP A 65 55.609 112.360 87.056 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.850 113.020 86.009 1.00 0.00 H new ATOM 952 N GLY A 66 52.563 112.413 85.504 1.00 31.82 N ATOM 953 CA GLY A 66 51.152 112.522 85.979 1.00 29.07 C ATOM 954 C GLY A 66 50.700 111.155 86.496 1.00 27.67 C ATOM 955 O GLY A 66 51.485 110.226 86.567 1.00 27.18 O ATOM 0 H GLY A 66 52.788 111.543 85.021 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.076 113.269 86.770 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.504 112.851 85.166 1.00 29.07 H new ATOM 959 N GLU A 67 49.446 111.015 86.851 1.00 0.00 N ATOM 960 CA GLU A 67 48.952 109.696 87.359 1.00 0.00 C ATOM 961 C GLU A 67 48.999 108.655 86.234 1.00 0.00 C ATOM 962 O GLU A 67 49.731 108.803 85.276 1.00 0.00 O ATOM 963 CB GLU A 67 47.507 109.951 87.807 1.00 0.00 C ATOM 964 CG GLU A 67 47.495 111.003 88.920 1.00 0.00 C ATOM 965 CD GLU A 67 46.053 111.257 89.366 1.00 0.00 C ATOM 966 OE1 GLU A 67 45.381 112.036 88.712 1.00 0.00 O ATOM 967 OE2 GLU A 67 45.648 110.669 90.355 1.00 0.00 O ATOM 0 H GLU A 67 48.745 111.754 86.811 1.00 0.00 H new ATOM 0 HA GLU A 67 49.561 109.310 88.177 1.00 0.00 H new ATOM 0 HB2 GLU A 67 46.908 110.293 86.963 1.00 0.00 H new ATOM 0 HB3 GLU A 67 47.057 109.024 88.163 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.093 110.661 89.765 1.00 0.00 H new ATOM 0 HG3 GLU A 67 47.946 111.930 88.564 1.00 0.00 H new ATOM 974 N GLY A 68 48.226 107.598 86.345 1.00 22.62 N ATOM 975 CA GLY A 68 48.226 106.538 85.286 1.00 22.36 C ATOM 976 C GLY A 68 48.010 107.162 83.901 1.00 20.38 C ATOM 977 O GLY A 68 48.953 107.510 83.219 1.00 21.93 O ATOM 0 H GLY A 68 47.594 107.425 87.126 1.00 22.62 H new ATOM 0 HA2 GLY A 68 49.172 105.997 85.304 1.00 22.36 H new ATOM 0 HA3 GLY A 68 47.440 105.811 85.491 1.00 22.36 H new ATOM 981 N VAL A 69 46.777 107.312 83.487 1.00 17.51 N ATOM 982 CA VAL A 69 46.504 107.922 82.148 1.00 15.40 C ATOM 983 C VAL A 69 45.296 108.857 82.231 1.00 17.02 C ATOM 984 O VAL A 69 44.247 108.493 82.714 1.00 17.35 O ATOM 985 CB VAL A 69 46.231 106.756 81.185 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.506 105.933 81.005 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.111 105.857 81.721 1.00 8.21 C ATOM 0 H VAL A 69 45.949 107.039 84.016 1.00 17.51 H new ATOM 0 HA VAL A 69 47.348 108.519 81.801 1.00 15.40 H new ATOM 0 HB VAL A 69 45.916 107.165 80.225 1.00 12.26 H new ATOM 0 HG11 VAL A 69 47.312 105.106 80.322 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.293 106.566 80.594 1.00 8.73 H new ATOM 0 HG13 VAL A 69 47.824 105.539 81.970 1.00 8.73 H new ATOM 0 HG21 VAL A 69 44.936 105.039 81.023 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.402 105.451 82.690 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.197 106.441 81.832 1.00 8.21 H new ATOM 997 N VAL A 70 45.465 110.069 81.764 1.00 17.68 N ATOM 998 CA VAL A 70 44.374 111.107 81.781 1.00 16.81 C ATOM 999 C VAL A 70 43.566 111.085 83.098 1.00 17.08 C ATOM 1000 O VAL A 70 42.381 111.357 83.117 1.00 16.77 O ATOM 1001 CB VAL A 70 43.482 110.837 80.551 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.343 110.774 79.284 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.718 109.521 80.716 1.00 20.55 C ATOM 0 H VAL A 70 46.341 110.397 81.357 1.00 17.68 H new ATOM 0 HA VAL A 70 44.803 112.108 81.731 1.00 16.81 H new ATOM 0 HB VAL A 70 42.763 111.652 80.463 1.00 18.60 H new ATOM 0 HG11 VAL A 70 43.706 110.583 78.420 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.862 111.723 79.149 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.074 109.971 79.380 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.095 109.349 79.838 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.427 108.700 80.824 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.087 109.575 81.603 1.00 20.55 H new ATOM 1013 N GLY A 71 44.221 110.804 84.199 1.00 17.30 N ATOM 1014 CA GLY A 71 43.532 110.808 85.530 1.00 16.44 C ATOM 1015 C GLY A 71 42.805 109.485 85.829 1.00 18.03 C ATOM 1016 O GLY A 71 41.910 109.455 86.656 1.00 18.29 O ATOM 0 H GLY A 71 45.213 110.570 84.233 1.00 17.30 H new ATOM 0 HA2 GLY A 71 44.266 110.999 86.313 1.00 16.44 H new ATOM 0 HA3 GLY A 71 42.813 111.627 85.560 1.00 16.44 H new ATOM 1020 N GLU A 72 43.172 108.398 85.194 1.00 0.00 N ATOM 1021 CA GLU A 72 42.478 107.100 85.497 1.00 0.00 C ATOM 1022 C GLU A 72 43.475 105.938 85.550 1.00 0.00 C ATOM 1023 O GLU A 72 44.505 105.956 84.905 1.00 0.00 O ATOM 1024 CB GLU A 72 41.451 106.888 84.376 1.00 0.00 C ATOM 1025 CG GLU A 72 42.152 106.800 83.019 1.00 0.00 C ATOM 1026 CD GLU A 72 41.442 105.769 82.139 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.313 106.025 81.754 1.00 0.00 O ATOM 1028 OE2 GLU A 72 42.040 104.741 81.865 1.00 0.00 O ATOM 0 H GLU A 72 43.909 108.349 84.490 1.00 0.00 H new ATOM 0 HA GLU A 72 41.995 107.136 86.474 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.886 105.974 84.560 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.735 107.710 84.370 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.146 107.775 82.531 1.00 0.00 H new ATOM 0 HG3 GLU A 72 43.196 106.519 83.156 1.00 0.00 H new ATOM 1035 N GLN A 73 43.164 104.927 86.320 1.00 13.09 N ATOM 1036 CA GLN A 73 44.069 103.745 86.437 1.00 15.45 C ATOM 1037 C GLN A 73 43.378 102.515 85.829 1.00 15.30 C ATOM 1038 O GLN A 73 42.902 101.654 86.545 1.00 16.40 O ATOM 1039 CB GLN A 73 44.274 103.558 87.942 1.00 18.12 C ATOM 1040 CG GLN A 73 45.140 104.695 88.486 1.00 18.21 C ATOM 1041 CD GLN A 73 45.135 104.656 90.015 1.00 16.98 C ATOM 1042 OE1 GLN A 73 45.205 103.597 90.607 1.00 18.14 O ATOM 1043 NE2 GLN A 73 45.053 105.773 90.684 1.00 14.04 N ATOM 0 H GLN A 73 42.312 104.870 86.878 1.00 13.09 H new ATOM 0 HA GLN A 73 45.016 103.880 85.914 1.00 15.45 H new ATOM 0 HB2 GLN A 73 43.311 103.545 88.452 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.751 102.598 88.138 1.00 18.12 H new ATOM 0 HG2 GLN A 73 46.160 104.600 88.113 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.761 105.655 88.135 1.00 18.21 H new ATOM 0 HE21 GLN A 73 44.994 106.662 90.187 1.00 14.04 H new ATOM 0 HE22 GLN A 73 45.048 105.757 91.704 1.00 14.04 H new ATOM 1052 N PRO A 74 43.328 102.485 84.515 1.00 15.25 N ATOM 1053 CA PRO A 74 42.652 101.336 83.841 1.00 16.63 C ATOM 1054 C PRO A 74 43.280 99.996 84.241 1.00 17.41 C ATOM 1055 O PRO A 74 44.483 99.873 84.383 1.00 17.61 O ATOM 1056 CB PRO A 74 42.863 101.600 82.354 1.00 16.18 C ATOM 1057 CG PRO A 74 44.086 102.446 82.285 1.00 16.38 C ATOM 1058 CD PRO A 74 44.106 103.275 83.539 1.00 13.89 C ATOM 0 HA PRO A 74 41.600 101.264 84.117 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.995 100.669 81.802 1.00 16.18 H new ATOM 0 HB3 PRO A 74 42.004 102.110 81.918 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.981 101.828 82.215 1.00 16.38 H new ATOM 0 HG3 PRO A 74 44.068 103.082 81.400 1.00 16.38 H new ATOM 0 HD2 PRO A 74 45.125 103.444 83.887 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.658 104.255 83.374 1.00 13.89 H new ATOM 1066 N TRP A 75 42.459 98.989 84.402 1.00 0.00 N ATOM 1067 CA TRP A 75 42.968 97.635 84.770 1.00 0.00 C ATOM 1068 C TRP A 75 42.960 96.744 83.527 1.00 0.00 C ATOM 1069 O TRP A 75 42.078 95.926 83.345 1.00 0.00 O ATOM 1070 CB TRP A 75 41.981 97.112 85.816 1.00 0.00 C ATOM 1071 CG TRP A 75 42.673 96.140 86.717 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.577 96.471 87.668 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.533 94.691 86.771 1.00 0.00 C ATOM 1074 NE1 TRP A 75 44.002 95.316 88.300 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.387 94.194 87.783 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.755 93.769 86.047 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.466 92.829 88.068 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.833 92.395 86.330 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.688 91.927 87.339 1.00 0.00 C ATOM 0 H TRP A 75 41.447 99.049 84.293 1.00 0.00 H new ATOM 0 HA TRP A 75 43.987 97.653 85.156 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.580 97.941 86.399 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.136 96.630 85.324 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.912 97.472 87.896 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.686 95.296 89.056 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.094 94.120 85.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.124 92.473 88.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.232 91.696 85.768 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.745 90.870 87.552 1.00 0.00 H new ATOM 1090 N LEU A 76 43.922 96.920 82.658 1.00 18.07 N ATOM 1091 CA LEU A 76 43.961 96.106 81.404 1.00 17.96 C ATOM 1092 C LEU A 76 44.113 94.615 81.714 1.00 19.47 C ATOM 1093 O LEU A 76 45.102 94.183 82.274 1.00 20.57 O ATOM 1094 CB LEU A 76 45.178 96.616 80.627 1.00 16.79 C ATOM 1095 CG LEU A 76 44.859 96.620 79.130 1.00 17.27 C ATOM 1096 CD1 LEU A 76 43.765 97.654 78.834 1.00 13.86 C ATOM 1097 CD2 LEU A 76 46.123 96.971 78.341 1.00 15.14 C ATOM 0 H LEU A 76 44.682 97.592 82.762 1.00 18.07 H new ATOM 0 HA LEU A 76 43.037 96.209 80.836 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.439 97.621 80.957 1.00 16.79 H new ATOM 0 HB3 LEU A 76 46.042 95.981 80.824 1.00 16.79 H new ATOM 0 HG LEU A 76 44.507 95.632 78.834 1.00 17.27 H new ATOM 0 HD11 LEU A 76 43.542 97.652 77.767 1.00 13.86 H new ATOM 0 HD12 LEU A 76 42.864 97.401 79.393 1.00 13.86 H new ATOM 0 HD13 LEU A 76 44.110 98.644 79.131 1.00 13.86 H new ATOM 0 HD21 LEU A 76 45.897 96.974 77.275 1.00 15.14 H new ATOM 0 HD22 LEU A 76 46.476 97.958 78.640 1.00 15.14 H new ATOM 0 HD23 LEU A 76 46.897 96.231 78.546 1.00 15.14 H new ATOM 1109 N ARG A 77 43.142 93.828 81.326 1.00 0.00 N ATOM 1110 CA ARG A 77 43.218 92.358 81.563 1.00 0.00 C ATOM 1111 C ARG A 77 43.967 91.702 80.398 1.00 0.00 C ATOM 1112 O ARG A 77 44.050 92.277 79.329 1.00 0.00 O ATOM 1113 CB ARG A 77 41.765 91.882 81.609 1.00 0.00 C ATOM 1114 CG ARG A 77 41.277 91.862 83.059 1.00 0.00 C ATOM 1115 CD ARG A 77 40.310 90.693 83.259 1.00 0.00 C ATOM 1116 NE ARG A 77 38.970 91.238 82.905 1.00 0.00 N ATOM 1117 CZ ARG A 77 37.989 91.162 83.761 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.733 90.033 84.363 1.00 0.00 N ATOM 1119 NH2 ARG A 77 37.263 92.216 84.015 1.00 0.00 N ATOM 0 H ARG A 77 42.296 94.144 80.853 1.00 0.00 H new ATOM 0 HA ARG A 77 43.747 92.103 82.481 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.136 92.543 81.012 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.684 90.886 81.174 1.00 0.00 H new ATOM 0 HG2 ARG A 77 42.125 91.766 83.737 1.00 0.00 H new ATOM 0 HG3 ARG A 77 40.781 92.802 83.300 1.00 0.00 H new ATOM 0 HD2 ARG A 77 40.574 89.849 82.622 1.00 0.00 H new ATOM 0 HD3 ARG A 77 40.331 90.335 84.288 1.00 0.00 H new ATOM 0 HE ARG A 77 38.820 91.670 81.994 1.00 0.00 H new ATOM 0 HH11 ARG A 77 38.300 89.209 84.164 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.966 89.975 85.032 1.00 0.00 H new ATOM 0 HH21 ARG A 77 37.463 93.098 83.544 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.496 92.157 84.684 1.00 0.00 H new ATOM 1133 N PRO A 78 44.498 90.520 80.632 1.00 23.86 N ATOM 1134 CA PRO A 78 45.248 89.843 79.529 1.00 24.22 C ATOM 1135 C PRO A 78 44.388 89.745 78.258 1.00 24.36 C ATOM 1136 O PRO A 78 43.272 89.260 78.278 1.00 22.27 O ATOM 1137 CB PRO A 78 45.572 88.461 80.084 1.00 25.39 C ATOM 1138 CG PRO A 78 44.532 88.214 81.121 1.00 27.04 C ATOM 1139 CD PRO A 78 44.165 89.557 81.699 1.00 25.13 C ATOM 0 HA PRO A 78 46.145 90.390 79.238 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.538 87.703 79.302 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.573 88.432 80.513 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.659 87.729 80.685 1.00 27.04 H new ATOM 0 HG3 PRO A 78 44.911 87.549 81.898 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.107 89.602 81.959 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.726 89.764 82.610 1.00 25.13 H new ATOM 1147 N GLY A 79 44.920 90.207 77.155 1.00 24.74 N ATOM 1148 CA GLY A 79 44.169 90.156 75.866 1.00 23.79 C ATOM 1149 C GLY A 79 43.309 91.419 75.683 1.00 23.44 C ATOM 1150 O GLY A 79 42.894 91.731 74.582 1.00 22.44 O ATOM 0 H GLY A 79 45.850 90.621 77.093 1.00 24.74 H new ATOM 0 HA2 GLY A 79 44.869 90.064 75.036 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.533 89.271 75.846 1.00 23.79 H new ATOM 1154 N GLU A 80 43.041 92.150 76.742 1.00 23.31 N ATOM 1155 CA GLU A 80 42.216 93.392 76.611 1.00 21.90 C ATOM 1156 C GLU A 80 43.114 94.595 76.308 1.00 20.95 C ATOM 1157 O GLU A 80 44.321 94.529 76.451 1.00 19.52 O ATOM 1158 CB GLU A 80 41.520 93.557 77.963 1.00 23.06 C ATOM 1159 CG GLU A 80 40.535 94.729 77.895 1.00 23.88 C ATOM 1160 CD GLU A 80 39.762 94.846 79.215 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.688 93.860 79.933 1.00 25.91 O ATOM 1162 OE2 GLU A 80 39.251 95.921 79.482 1.00 29.38 O ATOM 0 H GLU A 80 43.358 91.939 77.688 1.00 23.31 H new ATOM 0 HA GLU A 80 41.496 93.325 75.795 1.00 21.90 H new ATOM 0 HB2 GLU A 80 40.992 92.640 78.226 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.259 93.735 78.744 1.00 23.06 H new ATOM 0 HG2 GLU A 80 41.074 95.656 77.697 1.00 23.88 H new ATOM 0 HG3 GLU A 80 39.839 94.582 77.069 1.00 23.88 H new ATOM 1169 N ALA A 81 42.534 95.690 75.883 1.00 0.00 N ATOM 1170 CA ALA A 81 43.349 96.901 75.560 1.00 0.00 C ATOM 1171 C ALA A 81 42.570 98.177 75.901 1.00 0.00 C ATOM 1172 O ALA A 81 41.355 98.209 75.845 1.00 0.00 O ATOM 1173 CB ALA A 81 43.611 96.815 74.056 1.00 0.00 C ATOM 0 H ALA A 81 41.529 95.797 75.746 1.00 0.00 H new ATOM 0 HA ALA A 81 44.276 96.937 76.133 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.206 97.672 73.741 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.152 95.896 73.833 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.662 96.816 73.521 1.00 0.00 H new ATOM 1179 N PHE A 82 43.268 99.235 76.235 1.00 18.56 N ATOM 1180 CA PHE A 82 42.588 100.525 76.561 1.00 17.00 C ATOM 1181 C PHE A 82 43.035 101.591 75.553 1.00 16.61 C ATOM 1182 O PHE A 82 44.170 101.588 75.113 1.00 15.77 O ATOM 1183 CB PHE A 82 43.061 100.877 77.975 1.00 13.41 C ATOM 1184 CG PHE A 82 42.430 102.178 78.414 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.201 102.168 79.083 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.074 103.393 78.153 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.614 103.372 79.491 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.488 104.598 78.561 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.258 104.587 79.229 1.00 9.06 C ATOM 0 H PHE A 82 44.286 99.259 76.296 1.00 18.56 H new ATOM 0 HA PHE A 82 41.501 100.462 76.512 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.792 100.079 78.668 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.147 100.964 77.994 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.705 101.230 79.285 1.00 10.24 H new ATOM 0 HD2 PHE A 82 44.023 103.401 77.637 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.665 103.363 80.007 1.00 10.01 H new ATOM 0 HE2 PHE A 82 42.985 105.536 78.360 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.806 105.516 79.542 1.00 9.06 H new ATOM 1199 N HIS A 83 42.164 102.497 75.176 1.00 0.00 N ATOM 1200 CA HIS A 83 42.566 103.547 74.187 1.00 0.00 C ATOM 1201 C HIS A 83 41.927 104.900 74.522 1.00 0.00 C ATOM 1202 O HIS A 83 40.773 104.979 74.902 1.00 0.00 O ATOM 1203 CB HIS A 83 42.066 103.033 72.830 1.00 0.00 C ATOM 1204 CG HIS A 83 40.573 102.829 72.868 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.680 103.882 72.752 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.805 101.700 73.010 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.437 103.370 72.825 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.457 102.043 72.982 1.00 0.00 N ATOM 0 H HIS A 83 41.201 102.555 75.507 1.00 0.00 H new ATOM 0 HA HIS A 83 43.644 103.711 74.193 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.323 103.745 72.046 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.562 102.094 72.583 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.189 100.697 73.126 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.534 103.960 72.764 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.656 101.416 73.064 1.00 0.00 H new ATOM 1216 N TYR A 84 42.671 105.967 74.361 1.00 21.96 N ATOM 1217 CA TYR A 84 42.124 107.329 74.641 1.00 22.81 C ATOM 1218 C TYR A 84 42.828 108.364 73.750 1.00 25.11 C ATOM 1219 O TYR A 84 43.901 108.115 73.233 1.00 26.65 O ATOM 1220 CB TYR A 84 42.384 107.583 76.135 1.00 19.35 C ATOM 1221 CG TYR A 84 43.869 107.659 76.418 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.589 106.491 76.694 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.520 108.897 76.413 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.960 106.561 76.965 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.891 108.968 76.686 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.611 107.800 76.962 1.00 12.19 C ATOM 1227 OH TYR A 84 47.962 107.870 77.232 1.00 13.46 O ATOM 0 H TYR A 84 43.641 105.951 74.045 1.00 21.96 H new ATOM 0 HA TYR A 84 41.059 107.407 74.422 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.903 108.513 76.439 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.937 106.785 76.727 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.086 105.535 76.698 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.965 109.798 76.198 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.516 105.659 77.176 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.393 109.924 76.684 1.00 14.00 H new ATOM 0 HH TYR A 84 48.256 108.804 77.188 1.00 13.46 H new ATOM 1237 N THR A 85 42.228 109.513 73.559 1.00 26.58 N ATOM 1238 CA THR A 85 42.860 110.556 72.692 1.00 26.99 C ATOM 1239 C THR A 85 43.506 111.655 73.541 1.00 28.14 C ATOM 1240 O THR A 85 42.938 112.116 74.514 1.00 27.02 O ATOM 1241 CB THR A 85 41.710 111.127 71.860 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.065 110.071 71.161 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.257 112.145 70.859 1.00 21.76 C ATOM 0 H THR A 85 41.329 109.774 73.965 1.00 26.58 H new ATOM 0 HA THR A 85 43.653 110.141 72.070 1.00 26.99 H new ATOM 0 HB THR A 85 40.994 111.619 72.518 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.327 110.434 70.629 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.436 112.551 70.267 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.751 112.954 71.396 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.974 111.657 70.199 1.00 21.76 H new ATOM 1251 N SER A 86 44.692 112.076 73.174 1.00 29.06 N ATOM 1252 CA SER A 86 45.388 113.148 73.948 1.00 29.05 C ATOM 1253 C SER A 86 45.770 114.307 73.019 1.00 29.43 C ATOM 1254 O SER A 86 45.699 114.181 71.805 1.00 29.12 O ATOM 1255 CB SER A 86 46.642 112.475 74.496 1.00 29.12 C ATOM 1256 OG SER A 86 47.506 113.469 75.028 1.00 33.88 O ATOM 0 H SER A 86 45.208 111.721 72.369 1.00 29.06 H new ATOM 0 HA SER A 86 44.762 113.564 74.738 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.375 111.755 75.270 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.148 111.921 73.705 1.00 29.12 H new ATOM 0 HG SER A 86 48.373 113.426 74.574 1.00 33.88 H new ATOM 1262 N GLY A 87 46.190 115.426 73.563 1.00 29.08 N ATOM 1263 CA GLY A 87 46.579 116.578 72.692 1.00 29.89 C ATOM 1264 C GLY A 87 47.811 117.289 73.266 1.00 31.80 C ATOM 1265 O GLY A 87 47.817 117.727 74.400 1.00 31.40 O ATOM 0 H GLY A 87 46.279 115.589 74.566 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.792 116.224 71.683 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.749 117.280 72.614 1.00 29.89 H new ATOM 1269 N VAL A 88 48.847 117.416 72.474 1.00 0.00 N ATOM 1270 CA VAL A 88 50.090 118.109 72.939 1.00 0.00 C ATOM 1271 C VAL A 88 50.504 119.160 71.902 1.00 0.00 C ATOM 1272 O VAL A 88 50.239 119.017 70.723 1.00 0.00 O ATOM 1273 CB VAL A 88 51.153 117.004 73.061 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.516 117.618 73.402 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.756 116.036 74.176 1.00 0.00 C ATOM 0 H VAL A 88 48.886 117.066 71.517 1.00 0.00 H new ATOM 0 HA VAL A 88 49.953 118.628 73.888 1.00 0.00 H new ATOM 0 HB VAL A 88 51.220 116.475 72.111 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.261 116.827 73.486 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.810 118.311 72.614 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.447 118.153 74.349 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.509 115.253 74.263 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.685 116.577 75.119 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.791 115.587 73.942 1.00 0.00 H new ATOM 1285 N LEU A 89 51.145 120.217 72.337 1.00 0.00 N ATOM 1286 CA LEU A 89 51.570 121.284 71.382 1.00 0.00 C ATOM 1287 C LEU A 89 53.097 121.305 71.242 1.00 0.00 C ATOM 1288 O LEU A 89 53.817 121.080 72.196 1.00 0.00 O ATOM 1289 CB LEU A 89 51.069 122.588 72.008 1.00 0.00 C ATOM 1290 CG LEU A 89 51.224 123.733 71.005 1.00 0.00 C ATOM 1291 CD1 LEU A 89 50.181 124.813 71.302 1.00 0.00 C ATOM 1292 CD2 LEU A 89 52.627 124.333 71.128 1.00 0.00 C ATOM 0 H LEU A 89 51.392 120.386 73.312 1.00 0.00 H new ATOM 0 HA LEU A 89 51.168 121.126 70.381 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.024 122.485 72.299 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.632 122.807 72.915 1.00 0.00 H new ATOM 0 HG LEU A 89 51.079 123.353 69.994 1.00 0.00 H new ATOM 0 HD11 LEU A 89 50.290 125.630 70.588 1.00 0.00 H new ATOM 0 HD12 LEU A 89 49.181 124.387 71.216 1.00 0.00 H new ATOM 0 HD13 LEU A 89 50.328 125.193 72.313 1.00 0.00 H new ATOM 0 HD21 LEU A 89 52.738 125.149 70.414 1.00 0.00 H new ATOM 0 HD22 LEU A 89 52.773 124.714 72.139 1.00 0.00 H new ATOM 0 HD23 LEU A 89 53.371 123.564 70.919 1.00 0.00 H new ATOM 1304 N LEU A 90 53.590 121.572 70.059 1.00 37.85 N ATOM 1305 CA LEU A 90 55.071 121.607 69.850 1.00 36.74 C ATOM 1306 C LEU A 90 55.492 122.980 69.316 1.00 35.30 C ATOM 1307 O LEU A 90 54.768 123.608 68.569 1.00 35.10 O ATOM 1308 CB LEU A 90 55.352 120.518 68.816 1.00 38.41 C ATOM 1309 CG LEU A 90 55.131 119.144 69.451 1.00 38.68 C ATOM 1310 CD1 LEU A 90 55.168 118.064 68.369 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.235 118.877 70.478 1.00 38.08 C ATOM 0 H LEU A 90 53.031 121.767 69.228 1.00 37.85 H new ATOM 0 HA LEU A 90 55.625 121.440 70.774 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.696 120.642 67.954 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.376 120.602 68.452 1.00 38.41 H new ATOM 0 HG LEU A 90 54.159 119.125 69.945 1.00 38.68 H new ATOM 0 HD11 LEU A 90 55.010 117.087 68.825 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.382 118.254 67.638 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.138 118.080 67.872 1.00 37.80 H new ATOM 0 HD21 LEU A 90 56.080 117.898 70.932 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.206 118.898 69.982 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.206 119.645 71.251 1.00 38.08 H new ATOM 1323 N GLU A 91 56.651 123.455 69.702 1.00 0.00 N ATOM 1324 CA GLU A 91 57.113 124.795 69.225 1.00 0.00 C ATOM 1325 C GLU A 91 57.530 124.744 67.748 1.00 0.00 C ATOM 1326 O GLU A 91 57.520 125.751 67.065 1.00 0.00 O ATOM 1327 CB GLU A 91 58.310 125.156 70.114 1.00 0.00 C ATOM 1328 CG GLU A 91 59.414 124.101 69.971 1.00 0.00 C ATOM 1329 CD GLU A 91 60.735 124.672 70.488 1.00 0.00 C ATOM 1330 OE1 GLU A 91 61.205 125.640 69.912 1.00 0.00 O ATOM 1331 OE2 GLU A 91 61.253 124.134 71.452 1.00 0.00 O ATOM 0 H GLU A 91 57.297 122.972 70.327 1.00 0.00 H new ATOM 0 HA GLU A 91 56.318 125.538 69.293 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.696 126.137 69.836 1.00 0.00 H new ATOM 0 HB3 GLU A 91 57.993 125.222 71.155 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.149 123.204 70.531 1.00 0.00 H new ATOM 0 HG3 GLU A 91 59.517 123.806 68.927 1.00 0.00 H new ATOM 1338 N THR A 92 57.903 123.587 67.253 1.00 31.63 N ATOM 1339 CA THR A 92 58.326 123.492 65.821 1.00 28.98 C ATOM 1340 C THR A 92 57.495 122.441 65.078 1.00 28.33 C ATOM 1341 O THR A 92 56.726 121.708 65.672 1.00 29.20 O ATOM 1342 CB THR A 92 59.800 123.087 65.864 1.00 29.53 C ATOM 1343 OG1 THR A 92 59.937 121.882 66.605 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.617 124.195 66.532 1.00 25.50 C ATOM 0 H THR A 92 57.932 122.711 67.775 1.00 31.63 H new ATOM 0 HA THR A 92 58.179 124.433 65.291 1.00 28.98 H new ATOM 0 HB THR A 92 60.164 122.933 64.848 1.00 29.53 H new ATOM 0 HG1 THR A 92 59.925 121.118 65.992 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.667 123.905 66.562 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.512 125.118 65.963 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.255 124.352 67.548 1.00 25.50 H new ATOM 1352 N GLU A 93 57.639 122.378 63.778 1.00 0.00 N ATOM 1353 CA GLU A 93 56.854 121.395 62.972 1.00 0.00 C ATOM 1354 C GLU A 93 57.546 120.026 62.916 1.00 0.00 C ATOM 1355 O GLU A 93 57.105 119.142 62.204 1.00 0.00 O ATOM 1356 CB GLU A 93 56.790 122.006 61.571 1.00 0.00 C ATOM 1357 CG GLU A 93 55.745 121.263 60.734 1.00 0.00 C ATOM 1358 CD GLU A 93 55.546 121.989 59.403 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.254 121.666 58.463 1.00 0.00 O ATOM 1360 OE2 GLU A 93 54.689 122.856 59.346 1.00 0.00 O ATOM 0 H GLU A 93 58.271 122.969 63.238 1.00 0.00 H new ATOM 0 HA GLU A 93 55.870 121.221 63.407 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.534 123.063 61.636 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.767 121.943 61.091 1.00 0.00 H new ATOM 0 HG2 GLU A 93 56.069 120.237 60.556 1.00 0.00 H new ATOM 0 HG3 GLU A 93 54.801 121.210 61.276 1.00 0.00 H new ATOM 1367 N GLN A 94 58.617 119.831 63.652 1.00 0.00 N ATOM 1368 CA GLN A 94 59.310 118.506 63.619 1.00 0.00 C ATOM 1369 C GLN A 94 59.763 118.122 65.030 1.00 0.00 C ATOM 1370 O GLN A 94 60.074 118.987 65.830 1.00 0.00 O ATOM 1371 CB GLN A 94 60.518 118.708 62.697 1.00 0.00 C ATOM 1372 CG GLN A 94 61.413 119.830 63.237 1.00 0.00 C ATOM 1373 CD GLN A 94 62.614 120.020 62.306 1.00 0.00 C ATOM 1374 OE1 GLN A 94 63.001 119.110 61.600 1.00 0.00 O ATOM 1375 NE2 GLN A 94 63.224 121.172 62.276 1.00 0.00 N ATOM 0 H GLN A 94 59.036 120.527 64.268 1.00 0.00 H new ATOM 0 HA GLN A 94 58.662 117.706 63.262 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.088 117.782 62.623 1.00 0.00 H new ATOM 0 HB3 GLN A 94 60.180 118.955 61.691 1.00 0.00 H new ATOM 0 HG2 GLN A 94 60.846 120.758 63.310 1.00 0.00 H new ATOM 0 HG3 GLN A 94 61.754 119.585 64.243 1.00 0.00 H new ATOM 0 HE21 GLN A 94 62.900 121.936 62.868 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.025 121.309 61.660 1.00 0.00 H new ATOM 1384 N GLY A 95 59.814 116.849 65.352 1.00 27.89 N ATOM 1385 CA GLY A 95 60.266 116.471 66.726 1.00 28.05 C ATOM 1386 C GLY A 95 60.166 114.963 66.973 1.00 27.70 C ATOM 1387 O GLY A 95 59.451 114.244 66.304 1.00 25.89 O ATOM 0 H GLY A 95 59.568 116.073 64.737 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.297 116.793 66.869 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.662 116.999 67.464 1.00 28.05 H new ATOM 1391 N GLN A 96 60.885 114.503 67.964 1.00 0.00 N ATOM 1392 CA GLN A 96 60.869 113.056 68.333 1.00 0.00 C ATOM 1393 C GLN A 96 60.431 112.908 69.795 1.00 0.00 C ATOM 1394 O GLN A 96 60.917 113.603 70.669 1.00 0.00 O ATOM 1395 CB GLN A 96 62.315 112.572 68.140 1.00 0.00 C ATOM 1396 CG GLN A 96 63.279 113.378 69.019 1.00 0.00 C ATOM 1397 CD GLN A 96 64.706 112.873 68.802 1.00 0.00 C ATOM 1398 OE1 GLN A 96 65.107 112.612 67.685 1.00 0.00 O ATOM 1399 NE2 GLN A 96 65.496 112.723 69.830 1.00 0.00 N ATOM 0 H GLN A 96 61.494 115.081 68.544 1.00 0.00 H new ATOM 0 HA GLN A 96 60.174 112.474 67.727 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.386 111.513 68.390 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.600 112.672 67.093 1.00 0.00 H new ATOM 0 HG2 GLN A 96 63.215 114.438 68.772 1.00 0.00 H new ATOM 0 HG3 GLN A 96 63.002 113.278 70.068 1.00 0.00 H new ATOM 0 HE21 GLN A 96 65.160 112.942 70.768 1.00 0.00 H new ATOM 0 HE22 GLN A 96 66.450 112.387 69.696 1.00 0.00 H new ATOM 1408 N MET A 97 59.498 112.027 70.065 1.00 0.00 N ATOM 1409 CA MET A 97 59.011 111.857 71.468 1.00 0.00 C ATOM 1410 C MET A 97 59.080 110.391 71.909 1.00 0.00 C ATOM 1411 O MET A 97 58.494 109.520 71.294 1.00 0.00 O ATOM 1412 CB MET A 97 57.554 112.330 71.431 1.00 0.00 C ATOM 1413 CG MET A 97 56.948 112.243 72.834 1.00 0.00 C ATOM 1414 SD MET A 97 55.201 112.712 72.772 1.00 0.00 S ATOM 1415 CE MET A 97 55.447 114.437 72.287 1.00 0.00 C ATOM 0 H MET A 97 59.054 111.420 69.376 1.00 0.00 H new ATOM 0 HA MET A 97 59.620 112.418 72.177 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.504 113.356 71.066 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.980 111.716 70.737 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.049 111.230 73.222 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.487 112.901 73.515 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.754 115.072 72.838 1.00 0.00 H new ATOM 0 HE2 MET A 97 56.471 114.736 72.512 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.265 114.544 71.218 1.00 0.00 H new ATOM 1425 N GLN A 98 59.769 110.117 72.989 1.00 0.00 N ATOM 1426 CA GLN A 98 59.861 108.718 73.509 1.00 0.00 C ATOM 1427 C GLN A 98 59.370 108.729 74.958 1.00 0.00 C ATOM 1428 O GLN A 98 59.536 109.720 75.647 1.00 0.00 O ATOM 1429 CB GLN A 98 61.353 108.362 73.459 1.00 0.00 C ATOM 1430 CG GLN A 98 61.888 108.540 72.032 1.00 0.00 C ATOM 1431 CD GLN A 98 62.636 109.871 71.927 1.00 0.00 C ATOM 1432 OE1 GLN A 98 62.033 110.907 71.730 1.00 0.00 O ATOM 1433 NE2 GLN A 98 63.936 109.887 72.049 1.00 0.00 N ATOM 0 H GLN A 98 60.277 110.811 73.538 1.00 0.00 H new ATOM 0 HA GLN A 98 59.268 108.003 72.939 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.910 108.998 74.147 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.501 107.333 73.786 1.00 0.00 H new ATOM 0 HG2 GLN A 98 62.554 107.716 71.777 1.00 0.00 H new ATOM 0 HG3 GLN A 98 61.064 108.517 71.318 1.00 0.00 H new ATOM 0 HE21 GLN A 98 64.443 109.018 72.214 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.444 110.769 71.979 1.00 0.00 H new ATOM 1442 N GLY A 99 58.764 107.667 75.436 1.00 29.62 N ATOM 1443 CA GLY A 99 58.276 107.697 76.855 1.00 28.62 C ATOM 1444 C GLY A 99 57.971 106.292 77.361 1.00 28.62 C ATOM 1445 O GLY A 99 58.055 105.327 76.634 1.00 29.22 O ATOM 0 H GLY A 99 58.589 106.803 74.923 1.00 29.62 H new ATOM 0 HA2 GLY A 99 59.029 108.161 77.492 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.379 108.313 76.921 1.00 28.62 H new ATOM 1449 N HIS A 100 57.609 106.182 78.616 1.00 0.00 N ATOM 1450 CA HIS A 100 57.283 104.845 79.191 1.00 0.00 C ATOM 1451 C HIS A 100 56.083 104.943 80.144 1.00 0.00 C ATOM 1452 O HIS A 100 55.775 105.998 80.665 1.00 0.00 O ATOM 1453 CB HIS A 100 58.545 104.392 79.935 1.00 0.00 C ATOM 1454 CG HIS A 100 58.914 105.390 80.999 1.00 0.00 C ATOM 1455 ND1 HIS A 100 59.664 106.522 80.722 1.00 0.00 N ATOM 1456 CD2 HIS A 100 58.657 105.432 82.347 1.00 0.00 C ATOM 1457 CE1 HIS A 100 59.833 107.189 81.877 1.00 0.00 C ATOM 1458 NE2 HIS A 100 59.240 106.568 82.900 1.00 0.00 N ATOM 0 H HIS A 100 57.526 106.964 79.266 1.00 0.00 H new ATOM 0 HA HIS A 100 57.003 104.130 78.417 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.377 103.414 80.387 1.00 0.00 H new ATOM 0 HB3 HIS A 100 59.369 104.280 79.231 1.00 0.00 H new ATOM 0 HD2 HIS A 100 58.089 104.695 82.895 1.00 0.00 H new ATOM 0 HE1 HIS A 100 60.382 108.115 81.967 1.00 0.00 H new ATOM 0 HE2 HIS A 100 59.219 106.863 83.876 1.00 0.00 H new ATOM 1466 N TYR A 101 55.408 103.844 80.366 1.00 25.77 N ATOM 1467 CA TYR A 101 54.221 103.846 81.277 1.00 25.79 C ATOM 1468 C TYR A 101 54.484 102.939 82.482 1.00 26.52 C ATOM 1469 O TYR A 101 54.837 101.787 82.319 1.00 27.05 O ATOM 1470 CB TYR A 101 53.068 103.275 80.441 1.00 24.67 C ATOM 1471 CG TYR A 101 52.462 104.338 79.545 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.202 105.629 80.033 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.152 104.021 78.216 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.636 106.594 79.193 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.587 104.989 77.377 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.329 106.274 77.866 1.00 23.58 C ATOM 1477 OH TYR A 101 50.768 107.226 77.040 1.00 25.91 O ATOM 0 H TYR A 101 55.629 102.938 79.953 1.00 25.77 H new ATOM 0 HA TYR A 101 54.000 104.844 81.656 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.432 102.447 79.833 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.301 102.872 81.102 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.439 105.877 81.057 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.349 103.029 77.838 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.436 107.586 79.569 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.350 104.744 76.352 1.00 24.17 H new ATOM 0 HH TYR A 101 49.813 107.313 77.243 1.00 25.91 H new ATOM 1487 N ASP A 102 54.283 103.419 83.685 1.00 0.00 N ATOM 1488 CA ASP A 102 54.492 102.544 84.879 1.00 0.00 C ATOM 1489 C ASP A 102 53.247 101.680 85.091 1.00 0.00 C ATOM 1490 O ASP A 102 52.141 102.172 85.216 1.00 0.00 O ATOM 1491 CB ASP A 102 54.721 103.491 86.057 1.00 0.00 C ATOM 1492 CG ASP A 102 55.110 102.682 87.294 1.00 0.00 C ATOM 1493 OD1 ASP A 102 55.842 101.718 87.141 1.00 0.00 O ATOM 1494 OD2 ASP A 102 54.672 103.041 88.375 1.00 0.00 O ATOM 0 H ASP A 102 53.985 104.373 83.891 1.00 0.00 H new ATOM 0 HA ASP A 102 55.340 101.869 84.762 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.507 104.206 85.815 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.817 104.067 86.255 1.00 0.00 H new ATOM 1499 N MET A 103 53.434 100.387 85.115 1.00 0.00 N ATOM 1500 CA MET A 103 52.290 99.445 85.299 1.00 0.00 C ATOM 1501 C MET A 103 52.521 98.555 86.519 1.00 0.00 C ATOM 1502 O MET A 103 53.630 98.428 87.005 1.00 0.00 O ATOM 1503 CB MET A 103 52.281 98.596 84.026 1.00 0.00 C ATOM 1504 CG MET A 103 52.057 99.495 82.808 1.00 0.00 C ATOM 1505 SD MET A 103 51.874 98.472 81.327 1.00 0.00 S ATOM 1506 CE MET A 103 51.269 99.775 80.228 1.00 0.00 C ATOM 0 H MET A 103 54.344 99.937 85.013 1.00 0.00 H new ATOM 0 HA MET A 103 51.348 99.969 85.461 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.226 98.062 83.927 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.494 97.844 84.085 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.166 100.106 82.953 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.897 100.179 82.689 1.00 0.00 H new ATOM 0 HE1 MET A 103 51.812 99.736 79.284 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.205 99.629 80.041 1.00 0.00 H new ATOM 0 HE3 MET A 103 51.425 100.747 80.696 1.00 0.00 H new ATOM 1516 N VAL A 104 51.481 97.933 87.015 1.00 21.01 N ATOM 1517 CA VAL A 104 51.633 97.041 88.206 1.00 21.69 C ATOM 1518 C VAL A 104 50.737 95.807 88.062 1.00 22.60 C ATOM 1519 O VAL A 104 49.551 95.918 87.815 1.00 22.32 O ATOM 1520 CB VAL A 104 51.188 97.873 89.420 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.243 98.937 89.726 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.836 98.546 89.148 1.00 23.28 C ATOM 0 H VAL A 104 50.532 98.004 86.647 1.00 21.01 H new ATOM 0 HA VAL A 104 52.660 96.692 88.312 1.00 21.69 H new ATOM 0 HB VAL A 104 51.078 97.209 90.278 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.927 99.526 90.587 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.194 98.453 89.947 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.361 99.591 88.862 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.539 99.130 90.019 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.924 99.204 88.283 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.083 97.783 88.948 1.00 23.28 H new ATOM 1532 N ALA A 105 51.293 94.635 88.231 1.00 0.00 N ATOM 1533 CA ALA A 105 50.474 93.388 88.121 1.00 0.00 C ATOM 1534 C ALA A 105 49.591 93.241 89.360 1.00 0.00 C ATOM 1535 O ALA A 105 49.772 93.935 90.343 1.00 0.00 O ATOM 1536 CB ALA A 105 51.491 92.246 88.050 1.00 0.00 C ATOM 0 H ALA A 105 52.280 94.486 88.441 1.00 0.00 H new ATOM 0 HA ALA A 105 49.816 93.397 87.252 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.965 91.295 87.968 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.132 92.383 87.179 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.102 92.246 88.953 1.00 0.00 H new ATOM 1542 N ASP A 106 48.634 92.347 89.320 1.00 0.00 N ATOM 1543 CA ASP A 106 47.736 92.164 90.502 1.00 0.00 C ATOM 1544 C ASP A 106 48.542 91.656 91.700 1.00 0.00 C ATOM 1545 O ASP A 106 48.220 91.938 92.838 1.00 0.00 O ATOM 1546 CB ASP A 106 46.705 91.119 90.068 1.00 0.00 C ATOM 1547 CG ASP A 106 45.593 91.034 91.115 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.867 90.566 92.207 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.483 91.440 90.806 1.00 0.00 O ATOM 0 H ASP A 106 48.436 91.739 88.525 1.00 0.00 H new ATOM 0 HA ASP A 106 47.262 93.097 90.806 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.286 91.387 89.098 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.184 90.147 89.951 1.00 0.00 H new ATOM 1554 N ASP A 107 49.584 90.904 91.450 1.00 0.00 N ATOM 1555 CA ASP A 107 50.414 90.366 92.573 1.00 0.00 C ATOM 1556 C ASP A 107 51.250 91.479 93.220 1.00 0.00 C ATOM 1557 O ASP A 107 51.827 91.287 94.276 1.00 0.00 O ATOM 1558 CB ASP A 107 51.327 89.320 91.931 1.00 0.00 C ATOM 1559 CG ASP A 107 50.497 88.105 91.506 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.531 87.803 92.188 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.843 87.498 90.506 1.00 0.00 O ATOM 0 H ASP A 107 49.897 90.639 90.516 1.00 0.00 H new ATOM 0 HA ASP A 107 49.794 89.943 93.364 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.834 89.747 91.066 1.00 0.00 H new ATOM 0 HB3 ASP A 107 52.101 89.016 92.636 1.00 0.00 H new ATOM 1566 N GLY A 108 51.326 92.635 92.604 1.00 30.43 N ATOM 1567 CA GLY A 108 52.128 93.747 93.193 1.00 29.11 C ATOM 1568 C GLY A 108 53.454 93.909 92.437 1.00 29.35 C ATOM 1569 O GLY A 108 54.193 94.845 92.679 1.00 30.17 O ATOM 0 H GLY A 108 50.867 92.853 91.720 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.561 94.677 93.148 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.325 93.544 94.246 1.00 29.11 H new ATOM 1573 N THR A 109 53.771 93.011 91.528 1.00 0.00 N ATOM 1574 CA THR A 109 55.061 93.132 90.769 1.00 0.00 C ATOM 1575 C THR A 109 55.123 94.485 90.051 1.00 0.00 C ATOM 1576 O THR A 109 54.157 94.913 89.446 1.00 0.00 O ATOM 1577 CB THR A 109 55.038 91.989 89.751 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.873 90.754 90.433 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.353 91.973 88.970 1.00 0.00 C ATOM 0 H THR A 109 53.196 92.205 91.281 1.00 0.00 H new ATOM 0 HA THR A 109 55.930 93.074 91.424 1.00 0.00 H new ATOM 0 HB THR A 109 54.209 92.135 89.058 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.726 90.037 89.781 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.336 91.159 88.245 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.477 92.921 88.447 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.184 91.827 89.660 1.00 0.00 H new ATOM 1587 N GLU A 110 56.240 95.165 90.121 1.00 0.00 N ATOM 1588 CA GLU A 110 56.347 96.495 89.448 1.00 0.00 C ATOM 1589 C GLU A 110 57.104 96.375 88.122 1.00 0.00 C ATOM 1590 O GLU A 110 58.087 95.667 88.018 1.00 0.00 O ATOM 1591 CB GLU A 110 57.111 97.381 90.433 1.00 0.00 C ATOM 1592 CG GLU A 110 57.215 98.803 89.871 1.00 0.00 C ATOM 1593 CD GLU A 110 57.980 99.704 90.850 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.067 99.352 92.017 1.00 0.00 O ATOM 1595 OE2 GLU A 110 58.471 100.733 90.413 1.00 0.00 O ATOM 0 H GLU A 110 57.079 94.858 90.613 1.00 0.00 H new ATOM 0 HA GLU A 110 55.368 96.908 89.205 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.600 97.396 91.396 1.00 0.00 H new ATOM 0 HB3 GLU A 110 58.107 96.974 90.607 1.00 0.00 H new ATOM 0 HG2 GLU A 110 57.725 98.785 88.908 1.00 0.00 H new ATOM 0 HG3 GLU A 110 56.218 99.207 89.697 1.00 0.00 H new ATOM 1602 N PHE A 111 56.652 97.075 87.115 1.00 27.41 N ATOM 1603 CA PHE A 111 57.332 97.032 85.787 1.00 27.50 C ATOM 1604 C PHE A 111 56.806 98.160 84.889 1.00 28.03 C ATOM 1605 O PHE A 111 55.657 98.551 84.970 1.00 27.72 O ATOM 1606 CB PHE A 111 57.017 95.643 85.204 1.00 26.12 C ATOM 1607 CG PHE A 111 55.542 95.514 84.883 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.653 95.038 85.853 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.070 95.859 83.610 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.293 94.910 85.553 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.709 95.729 83.310 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.821 95.254 84.281 1.00 23.73 C ATOM 0 H PHE A 111 55.832 97.681 87.157 1.00 27.41 H new ATOM 0 HA PHE A 111 58.409 97.181 85.867 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.605 95.481 84.301 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.307 94.871 85.916 1.00 26.12 H new ATOM 0 HD1 PHE A 111 55.017 94.769 86.834 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.756 96.225 82.860 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.607 94.546 86.303 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.344 95.995 82.329 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.771 95.153 84.049 1.00 23.73 H new ATOM 1622 N ILE A 112 57.654 98.690 84.046 1.00 0.00 N ATOM 1623 CA ILE A 112 57.234 99.806 83.144 1.00 0.00 C ATOM 1624 C ILE A 112 56.997 99.298 81.717 1.00 0.00 C ATOM 1625 O ILE A 112 57.506 98.266 81.321 1.00 0.00 O ATOM 1626 CB ILE A 112 58.391 100.812 83.175 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.685 100.145 82.691 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.589 101.317 84.606 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.704 101.224 82.314 1.00 0.00 C ATOM 0 H ILE A 112 58.625 98.396 83.943 1.00 0.00 H new ATOM 0 HA ILE A 112 56.296 100.255 83.471 1.00 0.00 H new ATOM 0 HB ILE A 112 58.151 101.647 82.517 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.091 99.504 83.473 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.479 99.508 81.831 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.411 102.032 84.629 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.676 101.803 84.950 1.00 0.00 H new ATOM 0 HG23 ILE A 112 58.821 100.476 85.260 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.624 100.751 81.970 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.296 101.847 81.518 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.918 101.843 83.185 1.00 0.00 H new ATOM 1641 N ALA A 113 56.245 100.034 80.942 1.00 0.00 N ATOM 1642 CA ALA A 113 55.979 99.634 79.531 1.00 0.00 C ATOM 1643 C ALA A 113 56.513 100.732 78.599 1.00 0.00 C ATOM 1644 O ALA A 113 55.852 101.727 78.374 1.00 0.00 O ATOM 1645 CB ALA A 113 54.459 99.517 79.421 1.00 0.00 C ATOM 0 H ALA A 113 55.799 100.905 81.231 1.00 0.00 H new ATOM 0 HA ALA A 113 56.463 98.697 79.254 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.189 99.225 78.406 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.100 98.764 80.123 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.002 100.478 79.655 1.00 0.00 H new ATOM 1651 N PRO A 114 57.713 100.521 78.104 1.00 31.26 N ATOM 1652 CA PRO A 114 58.318 101.550 77.211 1.00 32.26 C ATOM 1653 C PRO A 114 57.464 101.813 75.966 1.00 31.77 C ATOM 1654 O PRO A 114 56.865 100.926 75.392 1.00 33.24 O ATOM 1655 CB PRO A 114 59.669 100.960 76.818 1.00 32.64 C ATOM 1656 CG PRO A 114 59.498 99.489 76.966 1.00 33.31 C ATOM 1657 CD PRO A 114 58.520 99.284 78.088 1.00 32.61 C ATOM 0 HA PRO A 114 58.401 102.514 77.713 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.935 101.227 75.795 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.466 101.333 77.462 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.126 99.047 76.042 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.450 99.008 77.189 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.897 98.406 77.917 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.032 99.131 79.038 1.00 32.61 H new ATOM 1665 N ILE A 115 57.442 103.052 75.554 1.00 30.59 N ATOM 1666 CA ILE A 115 56.672 103.458 74.342 1.00 30.04 C ATOM 1667 C ILE A 115 57.658 103.768 73.217 1.00 30.45 C ATOM 1668 O ILE A 115 58.527 104.618 73.356 1.00 30.15 O ATOM 1669 CB ILE A 115 55.899 104.721 74.739 1.00 29.44 C ATOM 1670 CG1 ILE A 115 55.017 104.430 75.959 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.015 105.162 73.572 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.445 105.740 76.500 1.00 28.50 C ATOM 0 H ILE A 115 57.936 103.816 76.016 1.00 30.59 H new ATOM 0 HA ILE A 115 55.993 102.678 73.996 1.00 30.04 H new ATOM 0 HB ILE A 115 56.607 105.512 74.986 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.208 103.754 75.683 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.601 103.929 76.732 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.464 106.060 73.852 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.638 105.375 72.703 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.311 104.366 73.328 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.818 105.533 77.367 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.261 106.400 76.792 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.847 106.223 75.727 1.00 28.50 H new ATOM 1684 N ALA A 116 57.529 103.079 72.108 1.00 30.78 N ATOM 1685 CA ALA A 116 58.456 103.292 70.947 1.00 29.78 C ATOM 1686 C ALA A 116 58.584 104.775 70.594 1.00 29.57 C ATOM 1687 O ALA A 116 57.711 105.571 70.885 1.00 28.51 O ATOM 1688 CB ALA A 116 57.816 102.529 69.784 1.00 27.76 C ATOM 0 H ALA A 116 56.813 102.369 71.955 1.00 30.78 H new ATOM 0 HA ALA A 116 59.463 102.944 71.176 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.436 102.636 68.894 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.732 101.474 70.043 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.824 102.934 69.586 1.00 27.76 H new ATOM 1694 N ALA A 117 59.674 105.146 69.973 1.00 0.00 N ATOM 1695 CA ALA A 117 59.885 106.572 69.597 1.00 0.00 C ATOM 1696 C ALA A 117 59.348 106.845 68.190 1.00 0.00 C ATOM 1697 O ALA A 117 59.805 106.270 67.221 1.00 0.00 O ATOM 1698 CB ALA A 117 61.400 106.759 69.628 1.00 0.00 C ATOM 0 H ALA A 117 60.431 104.516 69.709 1.00 0.00 H new ATOM 0 HA ALA A 117 59.365 107.255 70.269 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.645 107.787 69.362 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.773 106.545 70.630 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.865 106.079 68.915 1.00 0.00 H new ATOM 1704 N PHE A 118 58.405 107.742 68.073 1.00 29.64 N ATOM 1705 CA PHE A 118 57.856 108.090 66.731 1.00 29.08 C ATOM 1706 C PHE A 118 58.292 109.515 66.383 1.00 30.66 C ATOM 1707 O PHE A 118 58.701 110.264 67.252 1.00 30.55 O ATOM 1708 CB PHE A 118 56.330 107.972 66.848 1.00 25.73 C ATOM 1709 CG PHE A 118 55.803 108.892 67.924 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.457 110.210 67.607 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.648 108.423 69.234 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.958 111.061 68.601 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.148 109.273 70.228 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.803 110.592 69.910 1.00 21.66 C ATOM 0 H PHE A 118 57.990 108.251 68.854 1.00 29.64 H new ATOM 0 HA PHE A 118 58.217 107.433 65.939 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.867 108.219 65.893 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.057 106.942 67.078 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.575 110.571 66.596 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.914 107.405 69.478 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.693 112.079 68.357 1.00 21.08 H new ATOM 0 HE2 PHE A 118 55.029 108.912 71.239 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.417 111.248 70.676 1.00 21.66 H new ATOM 1724 N VAL A 119 58.222 109.900 65.133 1.00 0.00 N ATOM 1725 CA VAL A 119 58.652 111.279 64.757 1.00 0.00 C ATOM 1726 C VAL A 119 57.470 112.092 64.219 1.00 0.00 C ATOM 1727 O VAL A 119 56.512 111.550 63.700 1.00 0.00 O ATOM 1728 CB VAL A 119 59.725 111.080 63.678 1.00 0.00 C ATOM 1729 CG1 VAL A 119 59.127 110.343 62.476 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.259 112.442 63.226 1.00 0.00 C ATOM 0 H VAL A 119 57.888 109.322 64.362 1.00 0.00 H new ATOM 0 HA VAL A 119 59.036 111.836 65.612 1.00 0.00 H new ATOM 0 HB VAL A 119 60.541 110.488 64.093 1.00 0.00 H new ATOM 0 HG11 VAL A 119 59.895 110.206 61.715 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.754 109.370 62.795 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.306 110.928 62.062 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.021 112.298 62.460 1.00 0.00 H new ATOM 0 HG22 VAL A 119 59.441 113.036 62.818 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.695 112.963 64.078 1.00 0.00 H new ATOM 1740 N LEU A 120 57.548 113.392 64.331 1.00 36.62 N ATOM 1741 CA LEU A 120 56.451 114.266 63.824 1.00 37.66 C ATOM 1742 C LEU A 120 56.971 115.104 62.655 1.00 38.64 C ATOM 1743 O LEU A 120 58.032 115.697 62.734 1.00 37.83 O ATOM 1744 CB LEU A 120 56.055 115.175 64.996 1.00 38.14 C ATOM 1745 CG LEU A 120 55.311 114.374 66.073 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.283 113.453 66.817 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.664 115.343 67.065 1.00 37.30 C ATOM 0 H LEU A 120 58.331 113.889 64.755 1.00 36.62 H new ATOM 0 HA LEU A 120 55.598 113.688 63.470 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.946 115.632 65.426 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.422 115.986 64.636 1.00 38.14 H new ATOM 0 HG LEU A 120 54.544 113.764 65.597 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.741 112.891 67.578 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.740 112.760 66.111 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.060 114.052 67.292 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.134 114.778 67.832 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.436 115.954 67.532 1.00 37.30 H new ATOM 0 HD23 LEU A 120 53.960 115.987 66.538 1.00 37.30 H new ATOM 1759 N SER A 121 56.238 115.150 61.573 1.00 0.00 N ATOM 1760 CA SER A 121 56.683 115.944 60.390 1.00 0.00 C ATOM 1761 C SER A 121 55.472 116.378 59.561 1.00 0.00 C ATOM 1762 O SER A 121 54.611 115.584 59.239 1.00 0.00 O ATOM 1763 CB SER A 121 57.571 114.995 59.586 1.00 0.00 C ATOM 1764 OG SER A 121 58.888 115.019 60.122 1.00 0.00 O ATOM 0 H SER A 121 55.346 114.669 61.458 1.00 0.00 H new ATOM 0 HA SER A 121 57.214 116.852 60.677 1.00 0.00 H new ATOM 0 HB2 SER A 121 57.169 113.983 59.623 1.00 0.00 H new ATOM 0 HB3 SER A 121 57.587 115.293 58.538 1.00 0.00 H new ATOM 0 HG SER A 121 58.855 115.309 61.058 1.00 0.00 H new TER 1770 SER A 121