USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 GLN :FLIP amide:sc= -0.763 F(o=-2.3,f=-0.5) USER MOD Set 1.2: A 121 SER OG : rot -19:sc= 0.267! USER MOD Set 2.1: A 33 TYR OH : rot 80:sc= 0.844 USER MOD Set 2.2: A 86 SER OG : rot -120:sc= 1.45 USER MOD Set 3.1: A 55 THR OG1 : rot 180:sc= -0.109 USER MOD Set 3.2: A 61 THR OG1 : rot 16:sc= 1.11 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0.585 USER MOD Set 4.2: A 109 THR OG1 : rot 164:sc= 0.674 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -124:sc= 1.14 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -89:sc= 0.621 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00187 USER MOD Single : A 38 GLN : amide:sc= -4.62! C(o=-4.6!,f=-5.8!) USER MOD Single : A 39 ASN : amide:sc= -0.151 K(o=-0.15,f=-9!) USER MOD Single : A 51 HIS : no HE2:sc= -0.33 X(o=-0.33,f=-0.37) USER MOD Single : A 53 GLN : amide:sc=-0.00822 K(o=-0.0082,f=-1.7!) USER MOD Single : A 58 ASN : amide:sc=-0.00807 X(o=-0.0081,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.286 K(o=-0.29,f=-1) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.424 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 97 MET CE :methyl -171:sc= -2.04 (180deg=-2.4) USER MOD Single : A 98 GLN : amide:sc= -1.64! C(o=-1.6!,f=-2.1!) USER MOD Single : A 100 HIS : no HD1:sc= -4.95 K(o=-5,f=-5.7!) USER MOD Single : A 101 TYR OH : rot 60:sc= -0.115 USER MOD Single : A 103 MET CE :methyl 137:sc= -3.44! (180deg=-8.01!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.183 86.917 81.751 1.00 0.00 N ATOM 2 CA ARG A 6 53.953 87.177 82.554 1.00 0.00 C ATOM 3 C ARG A 6 53.669 88.680 82.618 1.00 0.00 C ATOM 4 O ARG A 6 52.534 89.099 82.760 1.00 0.00 O ATOM 5 CB ARG A 6 54.266 86.631 83.947 1.00 0.00 C ATOM 6 CG ARG A 6 54.327 85.103 83.897 1.00 0.00 C ATOM 7 CD ARG A 6 54.642 84.558 85.292 1.00 0.00 C ATOM 8 NE ARG A 6 54.737 83.083 85.116 1.00 0.00 N ATOM 9 CZ ARG A 6 55.894 82.527 84.880 1.00 0.00 C ATOM 10 NH1 ARG A 6 56.683 82.215 85.872 1.00 0.00 N ATOM 11 NH2 ARG A 6 56.263 82.285 83.652 1.00 0.00 N ATOM 0 HA ARG A 6 53.071 86.706 82.120 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.216 87.032 84.301 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.501 86.952 84.655 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.377 84.702 83.545 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.091 84.782 83.189 1.00 0.00 H new ATOM 0 HD2 ARG A 6 55.575 84.971 85.676 1.00 0.00 H new ATOM 0 HD3 ARG A 6 53.860 84.821 86.005 1.00 0.00 H new ATOM 0 HE ARG A 6 53.898 82.507 85.180 1.00 0.00 H new ATOM 0 HH11 ARG A 6 56.395 82.406 86.832 1.00 0.00 H new ATOM 0 HH12 ARG A 6 57.587 81.780 85.687 1.00 0.00 H new ATOM 0 HH21 ARG A 6 55.647 82.530 82.877 1.00 0.00 H new ATOM 0 HH22 ARG A 6 57.167 81.851 83.467 1.00 0.00 H new ATOM 25 N TYR A 7 54.692 89.492 82.517 1.00 31.93 N ATOM 26 CA TYR A 7 54.494 90.972 82.573 1.00 29.59 C ATOM 27 C TYR A 7 54.868 91.605 81.228 1.00 29.68 C ATOM 28 O TYR A 7 56.027 91.833 80.940 1.00 30.50 O ATOM 29 CB TYR A 7 55.431 91.467 83.680 1.00 27.35 C ATOM 30 CG TYR A 7 55.094 90.781 84.988 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.777 90.787 85.466 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.100 90.137 85.717 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.469 90.150 86.674 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.791 89.500 86.925 1.00 22.47 C ATOM 35 CZ TYR A 7 54.475 89.505 87.403 1.00 22.87 C ATOM 36 OH TYR A 7 54.171 88.877 88.594 1.00 25.71 O ATOM 0 H TYR A 7 55.659 89.191 82.398 1.00 31.93 H new ATOM 0 HA TYR A 7 53.457 91.239 82.775 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.467 91.263 83.409 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.337 92.547 83.791 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.000 91.283 84.903 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.115 90.131 85.348 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.454 90.156 87.044 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.568 89.005 87.488 1.00 22.47 H new ATOM 0 HH TYR A 7 54.983 88.479 88.971 1.00 25.71 H new ATOM 46 N ARG A 8 53.890 91.885 80.405 1.00 0.00 N ATOM 47 CA ARG A 8 54.167 92.501 79.072 1.00 0.00 C ATOM 48 C ARG A 8 53.027 93.445 78.678 1.00 0.00 C ATOM 49 O ARG A 8 51.862 93.143 78.849 1.00 0.00 O ATOM 50 CB ARG A 8 54.250 91.325 78.096 1.00 0.00 C ATOM 51 CG ARG A 8 55.573 90.582 78.300 1.00 0.00 C ATOM 52 CD ARG A 8 55.654 89.406 77.323 1.00 0.00 C ATOM 53 NE ARG A 8 56.966 88.762 77.605 1.00 0.00 N ATOM 54 CZ ARG A 8 57.096 87.972 78.636 1.00 0.00 C ATOM 55 NH1 ARG A 8 57.397 88.469 79.805 1.00 0.00 N ATOM 56 NH2 ARG A 8 56.926 86.686 78.498 1.00 0.00 N ATOM 0 H ARG A 8 52.904 91.712 80.601 1.00 0.00 H new ATOM 0 HA ARG A 8 55.083 93.092 79.075 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.412 90.647 78.256 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.178 91.685 77.070 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.411 91.260 78.140 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.646 90.222 79.326 1.00 0.00 H new ATOM 0 HD2 ARG A 8 54.831 88.708 77.476 1.00 0.00 H new ATOM 0 HD3 ARG A 8 55.595 89.747 76.289 1.00 0.00 H new ATOM 0 HE ARG A 8 57.763 88.938 76.993 1.00 0.00 H new ATOM 0 HH11 ARG A 8 57.531 89.474 79.913 1.00 0.00 H new ATOM 0 HH12 ARG A 8 57.499 87.852 80.611 1.00 0.00 H new ATOM 0 HH21 ARG A 8 56.691 86.298 77.584 1.00 0.00 H new ATOM 0 HH22 ARG A 8 57.028 86.069 79.304 1.00 0.00 H new ATOM 70 N VAL A 9 53.370 94.590 78.150 1.00 0.00 N ATOM 71 CA VAL A 9 52.343 95.591 77.729 1.00 0.00 C ATOM 72 C VAL A 9 52.912 96.456 76.598 1.00 0.00 C ATOM 73 O VAL A 9 53.835 97.224 76.790 1.00 0.00 O ATOM 74 CB VAL A 9 52.067 96.447 78.975 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.044 97.537 78.639 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.505 95.566 80.093 1.00 0.00 C ATOM 0 H VAL A 9 54.335 94.880 77.990 1.00 0.00 H new ATOM 0 HA VAL A 9 51.431 95.122 77.360 1.00 0.00 H new ATOM 0 HB VAL A 9 53.000 96.907 79.302 1.00 0.00 H new ATOM 0 HG11 VAL A 9 50.852 98.141 79.526 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.437 98.172 77.845 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.115 97.074 78.307 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.311 96.177 80.975 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.576 95.104 79.760 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.228 94.789 80.342 1.00 0.00 H new ATOM 86 N GLU A 10 52.346 96.346 75.423 1.00 0.00 N ATOM 87 CA GLU A 10 52.807 97.158 74.260 1.00 0.00 C ATOM 88 C GLU A 10 51.759 98.220 73.915 1.00 0.00 C ATOM 89 O GLU A 10 50.584 97.935 73.781 1.00 0.00 O ATOM 90 CB GLU A 10 52.948 96.157 73.112 1.00 0.00 C ATOM 91 CG GLU A 10 53.654 96.828 71.932 1.00 0.00 C ATOM 92 CD GLU A 10 55.098 97.157 72.315 1.00 0.00 C ATOM 93 OE1 GLU A 10 55.673 96.407 73.088 1.00 0.00 O ATOM 94 OE2 GLU A 10 55.606 98.155 71.831 1.00 0.00 O ATOM 0 H GLU A 10 51.570 95.716 75.219 1.00 0.00 H new ATOM 0 HA GLU A 10 53.741 97.682 74.463 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.516 95.287 73.442 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.965 95.799 72.805 1.00 0.00 H new ATOM 0 HG2 GLU A 10 53.639 96.169 71.064 1.00 0.00 H new ATOM 0 HG3 GLU A 10 53.126 97.739 71.650 1.00 0.00 H new ATOM 101 N VAL A 11 52.191 99.447 73.777 1.00 26.88 N ATOM 102 CA VAL A 11 51.247 100.557 73.444 1.00 26.83 C ATOM 103 C VAL A 11 51.629 101.183 72.098 1.00 27.58 C ATOM 104 O VAL A 11 52.794 101.340 71.785 1.00 28.21 O ATOM 105 CB VAL A 11 51.403 101.576 74.578 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.450 102.752 74.346 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.065 100.912 75.917 1.00 25.75 C ATOM 0 H VAL A 11 53.165 99.730 73.882 1.00 26.88 H new ATOM 0 HA VAL A 11 50.217 100.210 73.355 1.00 26.83 H new ATOM 0 HB VAL A 11 52.432 101.936 74.597 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.562 103.476 75.153 1.00 26.50 H new ATOM 0 HG12 VAL A 11 50.686 103.230 73.395 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.422 102.389 74.324 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.177 101.639 76.722 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.037 100.550 75.895 1.00 25.75 H new ATOM 0 HG23 VAL A 11 51.741 100.074 76.088 1.00 25.75 H new ATOM 117 N GLU A 12 50.653 101.544 71.303 1.00 0.00 N ATOM 118 CA GLU A 12 50.940 102.162 69.974 1.00 0.00 C ATOM 119 C GLU A 12 50.322 103.562 69.908 1.00 0.00 C ATOM 120 O GLU A 12 49.209 103.781 70.347 1.00 0.00 O ATOM 121 CB GLU A 12 50.269 101.237 68.958 1.00 0.00 C ATOM 122 CG GLU A 12 51.023 99.906 68.903 1.00 0.00 C ATOM 123 CD GLU A 12 52.414 100.131 68.308 1.00 0.00 C ATOM 124 OE1 GLU A 12 52.486 100.583 67.177 1.00 0.00 O ATOM 125 OE2 GLU A 12 53.382 99.847 68.992 1.00 0.00 O ATOM 0 H GLU A 12 49.662 101.436 71.520 1.00 0.00 H new ATOM 0 HA GLU A 12 52.008 102.270 69.786 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.229 101.067 69.237 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.263 101.704 67.973 1.00 0.00 H new ATOM 0 HG2 GLU A 12 51.108 99.483 69.904 1.00 0.00 H new ATOM 0 HG3 GLU A 12 50.469 99.187 68.299 1.00 0.00 H new ATOM 132 N VAL A 13 51.045 104.510 69.367 1.00 26.55 N ATOM 133 CA VAL A 13 50.518 105.906 69.272 1.00 26.45 C ATOM 134 C VAL A 13 50.648 106.431 67.838 1.00 27.95 C ATOM 135 O VAL A 13 51.652 106.233 67.181 1.00 27.94 O ATOM 136 CB VAL A 13 51.386 106.725 70.233 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.932 108.187 70.223 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.255 106.165 71.651 1.00 26.97 C ATOM 0 H VAL A 13 51.981 104.377 68.985 1.00 26.55 H new ATOM 0 HA VAL A 13 49.461 105.966 69.530 1.00 26.45 H new ATOM 0 HB VAL A 13 52.426 106.665 69.912 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.552 108.765 70.908 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.030 108.591 69.216 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.890 108.247 70.538 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.874 106.750 72.332 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.214 106.220 71.969 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.584 105.126 71.664 1.00 26.97 H new ATOM 148 N SER A 14 49.626 107.100 67.355 1.00 0.00 N ATOM 149 CA SER A 14 49.668 107.645 65.965 1.00 0.00 C ATOM 150 C SER A 14 49.365 109.156 65.965 1.00 0.00 C ATOM 151 O SER A 14 48.231 109.555 66.148 1.00 0.00 O ATOM 152 CB SER A 14 48.585 106.881 65.205 1.00 0.00 C ATOM 153 OG SER A 14 48.548 107.334 63.858 1.00 0.00 O ATOM 0 H SER A 14 48.765 107.291 67.867 1.00 0.00 H new ATOM 0 HA SER A 14 50.651 107.523 65.509 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.790 105.811 65.235 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.615 107.034 65.679 1.00 0.00 H new ATOM 0 HG SER A 14 47.855 106.845 63.367 1.00 0.00 H new ATOM 159 N PRO A 15 50.396 109.945 65.759 1.00 28.75 N ATOM 160 CA PRO A 15 50.187 111.424 65.736 1.00 30.20 C ATOM 161 C PRO A 15 49.738 111.897 64.346 1.00 33.00 C ATOM 162 O PRO A 15 49.827 111.178 63.370 1.00 32.76 O ATOM 163 CB PRO A 15 51.556 112.001 66.079 1.00 29.34 C ATOM 164 CG PRO A 15 52.530 110.950 65.669 1.00 29.59 C ATOM 165 CD PRO A 15 51.835 109.624 65.819 1.00 28.91 C ATOM 0 HA PRO A 15 49.409 111.741 66.430 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.736 112.935 65.547 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.637 112.220 67.144 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.851 111.103 64.639 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.424 110.989 66.291 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.120 108.935 65.024 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.095 109.146 66.763 1.00 28.91 H new ATOM 173 N ARG A 16 49.250 113.111 64.269 1.00 34.77 N ATOM 174 CA ARG A 16 48.778 113.674 62.965 1.00 37.64 C ATOM 175 C ARG A 16 48.778 115.208 63.026 1.00 38.99 C ATOM 176 O ARG A 16 48.286 115.807 63.963 1.00 38.96 O ATOM 177 CB ARG A 16 47.356 113.133 62.773 1.00 40.22 C ATOM 178 CG ARG A 16 46.469 113.558 63.948 1.00 43.41 C ATOM 179 CD ARG A 16 45.128 112.824 63.867 1.00 47.90 C ATOM 180 NE ARG A 16 44.317 113.375 64.990 1.00 51.85 N ATOM 181 CZ ARG A 16 43.018 113.253 64.976 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.324 113.781 64.005 1.00 54.10 N ATOM 183 NH2 ARG A 16 42.413 112.605 65.933 1.00 53.27 N ATOM 0 H ARG A 16 49.158 113.743 65.064 1.00 34.77 H new ATOM 0 HA ARG A 16 49.424 113.389 62.135 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.939 113.508 61.838 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.379 112.046 62.699 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.964 113.330 64.892 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.308 114.636 63.925 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.641 112.997 62.907 1.00 47.90 H new ATOM 0 HD3 ARG A 16 45.261 111.747 63.968 1.00 47.90 H new ATOM 0 HE ARG A 16 44.777 113.847 65.768 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.797 114.289 63.257 1.00 54.10 H new ATOM 0 HH12 ARG A 16 41.309 113.686 63.994 1.00 54.10 H new ATOM 0 HH21 ARG A 16 42.955 112.194 66.693 1.00 53.27 H new ATOM 0 HH22 ARG A 16 41.398 112.510 65.922 1.00 53.27 H new ATOM 197 N PHE A 17 49.350 115.836 62.031 1.00 0.00 N ATOM 198 CA PHE A 17 49.423 117.334 62.004 1.00 0.00 C ATOM 199 C PHE A 17 48.024 117.967 61.986 1.00 0.00 C ATOM 200 O PHE A 17 47.127 117.497 61.312 1.00 0.00 O ATOM 201 CB PHE A 17 50.165 117.666 60.704 1.00 0.00 C ATOM 202 CG PHE A 17 50.392 119.157 60.614 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.383 119.762 61.397 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.613 119.933 59.748 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.595 121.143 61.314 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.826 121.315 59.665 1.00 0.00 C ATOM 207 CZ PHE A 17 50.816 121.920 60.448 1.00 0.00 C ATOM 0 H PHE A 17 49.774 115.373 61.227 1.00 0.00 H new ATOM 0 HA PHE A 17 49.924 117.724 62.890 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.120 117.141 60.674 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.586 117.324 59.846 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.984 119.163 62.065 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.848 119.467 59.144 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.359 121.609 61.918 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.226 121.914 58.996 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.979 122.986 60.384 1.00 0.00 H new ATOM 217 N LEU A 18 47.844 119.041 62.716 1.00 0.00 N ATOM 218 CA LEU A 18 46.515 119.730 62.743 1.00 0.00 C ATOM 219 C LEU A 18 46.636 121.145 62.164 1.00 0.00 C ATOM 220 O LEU A 18 46.706 122.126 62.876 1.00 0.00 O ATOM 221 CB LEU A 18 46.097 119.785 64.212 1.00 0.00 C ATOM 222 CG LEU A 18 45.933 118.364 64.760 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.796 118.417 66.288 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.678 117.723 64.153 1.00 0.00 C ATOM 0 H LEU A 18 48.563 119.472 63.297 1.00 0.00 H new ATOM 0 HA LEU A 18 45.777 119.199 62.141 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.846 120.324 64.792 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.160 120.333 64.313 1.00 0.00 H new ATOM 0 HG LEU A 18 46.807 117.769 64.496 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.679 117.406 66.678 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.689 118.871 66.718 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.922 119.012 66.555 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.561 116.712 64.543 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.803 118.317 64.416 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.778 117.684 63.068 1.00 0.00 H new ATOM 236 N ALA A 19 46.629 121.235 60.862 1.00 0.00 N ATOM 237 CA ALA A 19 46.708 122.561 60.168 1.00 0.00 C ATOM 238 C ALA A 19 45.455 123.397 60.443 1.00 0.00 C ATOM 239 O ALA A 19 45.525 124.607 60.556 1.00 0.00 O ATOM 240 CB ALA A 19 46.767 122.212 58.678 1.00 0.00 C ATOM 0 H ALA A 19 46.571 120.433 60.235 1.00 0.00 H new ATOM 0 HA ALA A 19 47.564 123.144 60.508 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.827 123.129 58.092 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.646 121.598 58.483 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.870 121.660 58.398 1.00 0.00 H new ATOM 246 N HIS A 20 44.312 122.770 60.535 1.00 0.00 N ATOM 247 CA HIS A 20 43.052 123.537 60.785 1.00 0.00 C ATOM 248 C HIS A 20 43.024 124.104 62.210 1.00 0.00 C ATOM 249 O HIS A 20 42.324 125.060 62.485 1.00 0.00 O ATOM 250 CB HIS A 20 41.915 122.534 60.580 1.00 0.00 C ATOM 251 CG HIS A 20 41.811 122.187 59.120 1.00 0.00 C ATOM 252 ND1 HIS A 20 41.137 122.990 58.216 1.00 0.00 N ATOM 253 CD2 HIS A 20 42.289 121.125 58.394 1.00 0.00 C ATOM 254 CE1 HIS A 20 41.228 122.406 57.007 1.00 0.00 C ATOM 255 NE2 HIS A 20 41.920 121.265 57.060 1.00 0.00 N ATOM 0 H HIS A 20 44.194 121.761 60.448 1.00 0.00 H new ATOM 0 HA HIS A 20 42.966 124.391 60.113 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.099 121.634 61.167 1.00 0.00 H new ATOM 0 HB3 HIS A 20 40.974 122.957 60.932 1.00 0.00 H new ATOM 0 HD2 HIS A 20 42.864 120.305 58.797 1.00 0.00 H new ATOM 0 HE1 HIS A 20 40.794 122.811 56.104 1.00 0.00 H new ATOM 0 HE2 HIS A 20 42.132 120.632 56.289 1.00 0.00 H new ATOM 263 N GLN A 21 43.769 123.521 63.116 1.00 51.13 N ATOM 264 CA GLN A 21 43.768 124.029 64.523 1.00 51.59 C ATOM 265 C GLN A 21 45.182 124.422 64.965 1.00 51.55 C ATOM 266 O GLN A 21 45.596 124.117 66.068 1.00 51.24 O ATOM 267 CB GLN A 21 43.254 122.859 65.361 1.00 52.27 C ATOM 268 CG GLN A 21 42.860 123.358 66.753 1.00 52.27 C ATOM 269 CD GLN A 21 42.262 122.204 67.560 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.146 121.793 67.317 1.00 52.37 O ATOM 271 NE2 GLN A 21 42.965 121.661 68.516 1.00 51.79 N ATOM 0 H GLN A 21 44.375 122.719 62.944 1.00 51.13 H new ATOM 0 HA GLN A 21 43.151 124.921 64.632 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.395 122.398 64.872 1.00 52.27 H new ATOM 0 HB3 GLN A 21 44.024 122.092 65.443 1.00 52.27 H new ATOM 0 HG2 GLN A 21 43.733 123.761 67.267 1.00 52.27 H new ATOM 0 HG3 GLN A 21 42.137 124.169 66.669 1.00 52.27 H new ATOM 0 HE21 GLN A 21 43.903 122.007 68.719 1.00 51.79 H new ATOM 0 HE22 GLN A 21 42.577 120.890 69.060 1.00 51.79 H new ATOM 280 N SER A 22 45.926 125.096 64.120 1.00 52.26 N ATOM 281 CA SER A 22 47.311 125.505 64.510 1.00 52.76 C ATOM 282 C SER A 22 47.857 126.574 63.559 1.00 51.68 C ATOM 283 O SER A 22 47.558 126.580 62.380 1.00 52.15 O ATOM 284 CB SER A 22 48.144 124.230 64.407 1.00 53.63 C ATOM 285 OG SER A 22 48.394 123.939 63.039 1.00 55.19 O ATOM 0 H SER A 22 45.636 125.378 63.184 1.00 52.26 H new ATOM 0 HA SER A 22 47.336 125.938 65.510 1.00 52.76 H new ATOM 0 HB2 SER A 22 49.086 124.353 64.942 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.617 123.399 64.877 1.00 53.63 H new ATOM 0 HG SER A 22 48.079 123.034 62.834 1.00 55.19 H new ATOM 291 N THR A 23 48.673 127.465 64.064 1.00 0.00 N ATOM 292 CA THR A 23 49.266 128.529 63.199 1.00 0.00 C ATOM 293 C THR A 23 50.790 128.349 63.155 1.00 0.00 C ATOM 294 O THR A 23 51.495 128.867 63.999 1.00 0.00 O ATOM 295 CB THR A 23 48.897 129.849 63.879 1.00 0.00 C ATOM 296 OG1 THR A 23 47.485 129.924 64.024 1.00 0.00 O ATOM 297 CG2 THR A 23 49.388 131.019 63.026 1.00 0.00 C ATOM 0 H THR A 23 48.955 127.501 65.044 1.00 0.00 H new ATOM 0 HA THR A 23 48.900 128.495 62.173 1.00 0.00 H new ATOM 0 HB THR A 23 49.367 129.898 64.861 1.00 0.00 H new ATOM 0 HG1 THR A 23 47.245 130.768 64.461 1.00 0.00 H new ATOM 0 HG21 THR A 23 49.125 131.959 63.511 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.471 130.959 62.915 1.00 0.00 H new ATOM 0 HG23 THR A 23 48.919 130.974 62.043 1.00 0.00 H new ATOM 305 N PRO A 24 51.248 127.600 62.177 1.00 49.88 N ATOM 306 CA PRO A 24 52.718 127.362 62.085 1.00 51.02 C ATOM 307 C PRO A 24 53.473 128.662 61.794 1.00 51.50 C ATOM 308 O PRO A 24 54.642 128.789 62.107 1.00 51.57 O ATOM 309 CB PRO A 24 52.862 126.388 60.918 1.00 51.23 C ATOM 310 CG PRO A 24 51.655 126.618 60.076 1.00 51.05 C ATOM 311 CD PRO A 24 50.550 127.035 61.006 1.00 49.44 C ATOM 0 HA PRO A 24 53.133 126.976 63.016 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.777 126.577 60.357 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.909 125.357 61.268 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.845 127.390 59.331 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.383 125.712 59.534 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.896 127.772 60.540 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.926 126.187 61.287 1.00 49.44 H new ATOM 319 N ASP A 25 52.820 129.624 61.192 1.00 0.00 N ATOM 320 CA ASP A 25 53.510 130.913 60.873 1.00 0.00 C ATOM 321 C ASP A 25 53.848 131.683 62.156 1.00 0.00 C ATOM 322 O ASP A 25 54.737 132.513 62.167 1.00 0.00 O ATOM 323 CB ASP A 25 52.529 131.702 60.003 1.00 0.00 C ATOM 324 CG ASP A 25 52.408 131.037 58.629 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.391 130.473 58.175 1.00 0.00 O ATOM 326 OD2 ASP A 25 51.335 131.104 58.054 1.00 0.00 O ATOM 0 H ASP A 25 51.842 129.574 60.908 1.00 0.00 H new ATOM 0 HA ASP A 25 54.456 130.746 60.357 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.552 131.743 60.485 1.00 0.00 H new ATOM 0 HB3 ASP A 25 52.873 132.730 59.891 1.00 0.00 H new ATOM 331 N GLU A 26 53.149 131.420 63.234 1.00 0.00 N ATOM 332 CA GLU A 26 53.438 132.145 64.510 1.00 0.00 C ATOM 333 C GLU A 26 54.152 131.221 65.507 1.00 0.00 C ATOM 334 O GLU A 26 54.107 131.436 66.703 1.00 0.00 O ATOM 335 CB GLU A 26 52.067 132.555 65.049 1.00 0.00 C ATOM 336 CG GLU A 26 52.237 133.648 66.109 1.00 0.00 C ATOM 337 CD GLU A 26 50.867 134.070 66.657 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.874 133.828 65.987 1.00 0.00 O ATOM 339 OE2 GLU A 26 50.835 134.632 67.739 1.00 0.00 O ATOM 0 H GLU A 26 52.393 130.737 63.285 1.00 0.00 H new ATOM 0 HA GLU A 26 54.093 133.002 64.354 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.439 132.918 64.235 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.562 131.691 65.481 1.00 0.00 H new ATOM 0 HG2 GLU A 26 52.865 133.283 66.921 1.00 0.00 H new ATOM 0 HG3 GLU A 26 52.745 134.510 65.676 1.00 0.00 H new ATOM 346 N GLY A 27 54.808 130.195 65.022 1.00 0.00 N ATOM 347 CA GLY A 27 55.524 129.255 65.936 1.00 0.00 C ATOM 348 C GLY A 27 54.507 128.473 66.770 1.00 0.00 C ATOM 349 O GLY A 27 54.783 128.071 67.885 1.00 0.00 O ATOM 0 H GLY A 27 54.878 129.969 64.030 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.140 128.567 65.357 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.196 129.810 66.591 1.00 0.00 H new ATOM 353 N ARG A 28 53.333 128.256 66.234 1.00 0.00 N ATOM 354 CA ARG A 28 52.287 127.499 66.985 1.00 0.00 C ATOM 355 C ARG A 28 51.878 126.248 66.204 1.00 0.00 C ATOM 356 O ARG A 28 51.007 126.295 65.356 1.00 0.00 O ATOM 357 CB ARG A 28 51.109 128.465 67.115 1.00 0.00 C ATOM 358 CG ARG A 28 51.472 129.582 68.096 1.00 0.00 C ATOM 359 CD ARG A 28 50.295 130.550 68.228 1.00 0.00 C ATOM 360 NE ARG A 28 50.755 131.583 69.197 1.00 0.00 N ATOM 361 CZ ARG A 28 50.617 131.383 70.479 1.00 0.00 C ATOM 362 NH1 ARG A 28 49.431 131.431 71.023 1.00 0.00 N ATOM 363 NH2 ARG A 28 51.664 131.133 71.217 1.00 0.00 N ATOM 0 H ARG A 28 53.053 128.572 65.305 1.00 0.00 H new ATOM 0 HA ARG A 28 52.641 127.162 67.959 1.00 0.00 H new ATOM 0 HB2 ARG A 28 50.862 128.888 66.141 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.225 127.932 67.465 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.719 129.159 69.070 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.356 130.114 67.746 1.00 0.00 H new ATOM 0 HD2 ARG A 28 50.040 130.996 67.266 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.402 130.039 68.589 1.00 0.00 H new ATOM 0 HE ARG A 28 51.178 132.447 68.858 1.00 0.00 H new ATOM 0 HH11 ARG A 28 48.613 131.625 70.446 1.00 0.00 H new ATOM 0 HH12 ARG A 28 49.323 131.275 72.025 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.590 131.094 70.792 1.00 0.00 H new ATOM 0 HH22 ARG A 28 51.556 130.977 72.219 1.00 0.00 H new ATOM 377 N TYR A 29 52.490 125.127 66.495 1.00 46.07 N ATOM 378 CA TYR A 29 52.129 123.864 65.784 1.00 43.41 C ATOM 379 C TYR A 29 51.310 122.973 66.721 1.00 41.37 C ATOM 380 O TYR A 29 51.668 122.777 67.869 1.00 39.95 O ATOM 381 CB TYR A 29 53.460 123.194 65.430 1.00 43.56 C ATOM 382 CG TYR A 29 54.297 124.120 64.579 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.117 125.078 65.187 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.258 124.017 63.183 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.897 125.934 64.400 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.038 124.873 62.396 1.00 42.98 C ATOM 387 CZ TYR A 29 55.857 125.832 63.004 1.00 43.35 C ATOM 388 OH TYR A 29 56.627 126.674 62.229 1.00 43.13 O ATOM 0 H TYR A 29 53.225 125.033 67.196 1.00 46.07 H new ATOM 0 HA TYR A 29 51.530 124.045 64.892 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.000 122.937 66.341 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.276 122.262 64.895 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.148 125.157 66.264 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.626 123.277 62.713 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.529 126.673 64.870 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.008 124.793 61.319 1.00 42.98 H new ATOM 0 HH TYR A 29 56.124 127.493 62.037 1.00 43.13 H new ATOM 398 N ALA A 30 50.209 122.448 66.249 1.00 0.00 N ATOM 399 CA ALA A 30 49.361 121.586 67.129 1.00 0.00 C ATOM 400 C ALA A 30 49.327 120.143 66.619 1.00 0.00 C ATOM 401 O ALA A 30 48.903 119.877 65.511 1.00 0.00 O ATOM 402 CB ALA A 30 47.967 122.211 67.075 1.00 0.00 C ATOM 0 H ALA A 30 49.861 122.577 65.299 1.00 0.00 H new ATOM 0 HA ALA A 30 49.751 121.541 68.146 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.285 121.633 67.698 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.013 123.236 67.442 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.607 122.210 66.046 1.00 0.00 H new ATOM 408 N PHE A 31 49.760 119.210 67.429 1.00 36.58 N ATOM 409 CA PHE A 31 49.741 117.778 67.007 1.00 36.29 C ATOM 410 C PHE A 31 48.789 116.985 67.907 1.00 35.25 C ATOM 411 O PHE A 31 48.825 117.114 69.117 1.00 34.09 O ATOM 412 CB PHE A 31 51.172 117.273 67.193 1.00 36.39 C ATOM 413 CG PHE A 31 52.083 117.908 66.172 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.690 119.140 66.444 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.327 117.262 64.954 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.540 119.725 65.499 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.177 117.848 64.009 1.00 37.25 C ATOM 418 CZ PHE A 31 53.783 119.080 64.282 1.00 36.45 C ATOM 0 H PHE A 31 50.126 119.379 68.366 1.00 36.58 H new ATOM 0 HA PHE A 31 49.402 117.663 65.978 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.521 117.508 68.199 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.199 116.188 67.091 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.502 119.639 67.383 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.859 116.312 64.744 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.009 120.675 65.709 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.365 117.350 63.069 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.438 119.533 63.553 1.00 36.45 H new ATOM 428 N ALA A 32 47.960 116.149 67.336 1.00 34.06 N ATOM 429 CA ALA A 32 47.029 115.324 68.159 1.00 32.35 C ATOM 430 C ALA A 32 47.460 113.863 68.057 1.00 31.25 C ATOM 431 O ALA A 32 47.717 113.372 66.974 1.00 31.96 O ATOM 432 CB ALA A 32 45.649 115.523 67.531 1.00 32.65 C ATOM 0 H ALA A 32 47.889 116.003 66.329 1.00 34.06 H new ATOM 0 HA ALA A 32 47.025 115.604 69.212 1.00 32.35 H new ATOM 0 HB1 ALA A 32 44.910 114.944 68.085 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.383 116.579 67.565 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.669 115.187 66.494 1.00 32.65 H new ATOM 438 N TYR A 33 47.565 113.168 69.163 1.00 29.03 N ATOM 439 CA TYR A 33 48.009 111.741 69.086 1.00 27.15 C ATOM 440 C TYR A 33 47.035 110.816 69.821 1.00 26.72 C ATOM 441 O TYR A 33 46.495 111.158 70.856 1.00 28.24 O ATOM 442 CB TYR A 33 49.418 111.715 69.711 1.00 26.09 C ATOM 443 CG TYR A 33 49.372 111.920 71.212 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.128 113.189 71.748 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.593 110.833 72.065 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.102 113.367 73.137 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.572 111.013 73.452 1.00 25.85 C ATOM 448 CZ TYR A 33 49.325 112.278 73.989 1.00 27.60 C ATOM 449 OH TYR A 33 49.309 112.454 75.358 1.00 28.81 O ATOM 0 H TYR A 33 47.367 113.519 70.100 1.00 29.03 H new ATOM 0 HA TYR A 33 48.030 111.376 68.059 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.897 110.761 69.489 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.032 112.493 69.257 1.00 26.09 H new ATOM 0 HD1 TYR A 33 48.960 114.030 71.092 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.780 109.853 71.652 1.00 25.37 H new ATOM 0 HE1 TYR A 33 48.910 114.345 73.552 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.747 110.173 74.108 1.00 25.85 H new ATOM 0 HH TYR A 33 48.382 112.477 75.674 1.00 28.81 H new ATOM 459 N SER A 34 46.816 109.643 69.285 1.00 0.00 N ATOM 460 CA SER A 34 45.886 108.676 69.937 1.00 0.00 C ATOM 461 C SER A 34 46.697 107.569 70.608 1.00 0.00 C ATOM 462 O SER A 34 47.699 107.124 70.087 1.00 0.00 O ATOM 463 CB SER A 34 45.034 108.112 68.802 1.00 0.00 C ATOM 464 OG SER A 34 45.879 107.467 67.858 1.00 0.00 O ATOM 0 H SER A 34 47.244 109.313 68.420 1.00 0.00 H new ATOM 0 HA SER A 34 45.267 109.138 70.706 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.304 107.405 69.196 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.474 108.913 68.319 1.00 0.00 H new ATOM 0 HG SER A 34 45.336 107.102 67.129 1.00 0.00 H new ATOM 470 N ILE A 35 46.280 107.141 71.769 1.00 0.00 N ATOM 471 CA ILE A 35 47.030 106.078 72.501 1.00 0.00 C ATOM 472 C ILE A 35 46.308 104.728 72.431 1.00 0.00 C ATOM 473 O ILE A 35 45.123 104.621 72.679 1.00 0.00 O ATOM 474 CB ILE A 35 47.066 106.588 73.952 1.00 0.00 C ATOM 475 CG1 ILE A 35 47.849 107.913 74.011 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.745 105.556 74.866 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.288 107.706 73.518 1.00 0.00 C ATOM 0 H ILE A 35 45.446 107.484 72.246 1.00 0.00 H new ATOM 0 HA ILE A 35 48.020 105.908 72.077 1.00 0.00 H new ATOM 0 HB ILE A 35 46.043 106.746 74.294 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.352 108.664 73.397 1.00 0.00 H new ATOM 0 HG13 ILE A 35 47.859 108.292 75.033 1.00 0.00 H new ATOM 0 HG21 ILE A 35 47.763 105.932 75.889 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.189 104.619 74.833 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.766 105.384 74.525 1.00 0.00 H new ATOM 0 HD11 ILE A 35 49.828 108.651 73.566 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.787 106.971 74.149 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.272 107.349 72.488 1.00 0.00 H new ATOM 489 N ARG A 36 47.045 103.701 72.099 1.00 25.30 N ATOM 490 CA ARG A 36 46.458 102.333 72.006 1.00 25.64 C ATOM 491 C ARG A 36 47.215 101.396 72.949 1.00 23.79 C ATOM 492 O ARG A 36 48.255 100.863 72.614 1.00 25.11 O ATOM 493 CB ARG A 36 46.652 101.911 70.550 1.00 28.66 C ATOM 494 CG ARG A 36 45.738 102.745 69.649 1.00 34.24 C ATOM 495 CD ARG A 36 45.861 102.259 68.203 1.00 37.45 C ATOM 496 NE ARG A 36 47.233 102.657 67.775 1.00 40.12 N ATOM 497 CZ ARG A 36 47.523 102.729 66.504 1.00 40.24 C ATOM 498 NH1 ARG A 36 47.316 103.839 65.849 1.00 39.07 N ATOM 499 NH2 ARG A 36 48.021 101.691 65.889 1.00 39.81 N ATOM 0 H ARG A 36 48.041 103.753 71.886 1.00 25.30 H new ATOM 0 HA ARG A 36 45.406 102.303 72.290 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.693 102.048 70.256 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.425 100.851 70.434 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.704 102.661 69.985 1.00 34.24 H new ATOM 0 HG3 ARG A 36 46.010 103.799 69.714 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.725 101.180 68.137 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.102 102.715 67.568 1.00 37.45 H new ATOM 0 HE ARG A 36 47.944 102.873 68.474 1.00 40.12 H new ATOM 0 HH11 ARG A 36 46.928 104.650 66.330 1.00 39.07 H new ATOM 0 HH12 ARG A 36 47.543 103.895 64.856 1.00 39.07 H new ATOM 0 HH21 ARG A 36 48.183 100.824 66.401 1.00 39.81 H new ATOM 0 HH22 ARG A 36 48.248 101.747 64.896 1.00 39.81 H new ATOM 513 N ILE A 37 46.696 101.208 74.131 1.00 20.73 N ATOM 514 CA ILE A 37 47.363 100.322 75.133 1.00 18.17 C ATOM 515 C ILE A 37 46.852 98.883 75.007 1.00 17.71 C ATOM 516 O ILE A 37 45.688 98.607 75.221 1.00 15.34 O ATOM 517 CB ILE A 37 46.974 100.907 76.497 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.431 102.369 76.586 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.657 100.107 77.607 1.00 14.36 C ATOM 520 CD1 ILE A 37 46.806 103.024 77.818 1.00 16.07 C ATOM 0 H ILE A 37 45.827 101.635 74.451 1.00 20.73 H new ATOM 0 HA ILE A 37 48.443 100.286 74.990 1.00 18.17 H new ATOM 0 HB ILE A 37 45.891 100.854 76.611 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.518 102.418 76.647 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.137 102.909 75.686 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.381 100.522 78.577 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.339 99.066 77.554 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.738 100.162 77.483 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.130 104.063 77.882 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.720 102.987 77.738 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.122 102.490 78.714 1.00 16.07 H new ATOM 532 N GLN A 38 47.726 97.963 74.685 1.00 0.00 N ATOM 533 CA GLN A 38 47.315 96.531 74.568 1.00 0.00 C ATOM 534 C GLN A 38 48.062 95.700 75.616 1.00 0.00 C ATOM 535 O GLN A 38 49.249 95.865 75.825 1.00 0.00 O ATOM 536 CB GLN A 38 47.699 96.108 73.150 1.00 0.00 C ATOM 537 CG GLN A 38 47.281 94.655 72.917 1.00 0.00 C ATOM 538 CD GLN A 38 45.755 94.555 72.929 1.00 0.00 C ATOM 539 OE1 GLN A 38 45.085 95.203 72.147 1.00 0.00 O ATOM 540 NE2 GLN A 38 45.170 93.766 73.788 1.00 0.00 N ATOM 0 H GLN A 38 48.712 98.144 74.497 1.00 0.00 H new ATOM 0 HA GLN A 38 46.249 96.385 74.742 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.214 96.758 72.422 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.774 96.215 73.006 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.672 94.302 71.963 1.00 0.00 H new ATOM 0 HG3 GLN A 38 47.704 94.015 73.691 1.00 0.00 H new ATOM 0 HE21 GLN A 38 45.730 93.222 74.444 1.00 0.00 H new ATOM 0 HE22 GLN A 38 44.153 93.693 73.803 1.00 0.00 H new ATOM 549 N ASN A 39 47.360 94.819 76.283 1.00 15.86 N ATOM 550 CA ASN A 39 48.007 93.980 77.337 1.00 17.88 C ATOM 551 C ASN A 39 48.522 92.666 76.741 1.00 18.37 C ATOM 552 O ASN A 39 47.753 91.852 76.265 1.00 18.69 O ATOM 553 CB ASN A 39 46.914 93.718 78.373 1.00 19.10 C ATOM 554 CG ASN A 39 47.512 92.987 79.579 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.542 92.352 79.471 1.00 20.99 O ATOM 556 ND2 ASN A 39 46.902 93.052 80.732 1.00 19.13 N ATOM 0 H ASN A 39 46.365 94.644 76.143 1.00 15.86 H new ATOM 0 HA ASN A 39 48.870 94.477 77.780 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.467 94.660 78.691 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.117 93.120 77.932 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.290 92.569 81.542 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.037 93.585 80.822 1.00 19.13 H new ATOM 563 N ALA A 40 49.811 92.447 76.782 1.00 0.00 N ATOM 564 CA ALA A 40 50.381 91.176 76.237 1.00 0.00 C ATOM 565 C ALA A 40 50.981 90.323 77.369 1.00 0.00 C ATOM 566 O ALA A 40 51.636 89.330 77.115 1.00 0.00 O ATOM 567 CB ALA A 40 51.463 91.609 75.249 1.00 0.00 C ATOM 0 H ALA A 40 50.496 93.095 77.170 1.00 0.00 H new ATOM 0 HA ALA A 40 49.620 90.561 75.756 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.927 90.727 74.808 1.00 0.00 H new ATOM 0 HB2 ALA A 40 51.015 92.216 74.462 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.220 92.194 75.772 1.00 0.00 H new ATOM 573 N GLY A 41 50.760 90.694 78.609 1.00 27.60 N ATOM 574 CA GLY A 41 51.314 89.894 79.743 1.00 28.62 C ATOM 575 C GLY A 41 50.388 88.710 80.022 1.00 29.10 C ATOM 576 O GLY A 41 49.408 88.507 79.329 1.00 28.18 O ATOM 0 H GLY A 41 50.220 91.515 78.882 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.315 89.539 79.498 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.406 90.517 80.633 1.00 28.62 H new ATOM 580 N ALA A 42 50.688 87.928 81.028 1.00 0.00 N ATOM 581 CA ALA A 42 49.822 86.754 81.349 1.00 0.00 C ATOM 582 C ALA A 42 48.897 87.089 82.519 1.00 0.00 C ATOM 583 O ALA A 42 47.791 86.592 82.618 1.00 0.00 O ATOM 584 CB ALA A 42 50.793 85.637 81.733 1.00 0.00 C ATOM 0 H ALA A 42 51.494 88.052 81.640 1.00 0.00 H new ATOM 0 HA ALA A 42 49.185 86.467 80.512 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.232 84.737 81.984 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.458 85.428 80.895 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.383 85.948 82.595 1.00 0.00 H new ATOM 590 N VAL A 43 49.353 87.933 83.403 1.00 0.00 N ATOM 591 CA VAL A 43 48.525 88.327 84.583 1.00 0.00 C ATOM 592 C VAL A 43 47.984 89.750 84.379 1.00 0.00 C ATOM 593 O VAL A 43 48.680 90.605 83.869 1.00 0.00 O ATOM 594 CB VAL A 43 49.493 88.257 85.772 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.793 88.703 87.057 1.00 0.00 C ATOM 596 CG2 VAL A 43 49.983 86.816 85.942 1.00 0.00 C ATOM 0 H VAL A 43 50.273 88.372 83.360 1.00 0.00 H new ATOM 0 HA VAL A 43 47.658 87.684 84.737 1.00 0.00 H new ATOM 0 HB VAL A 43 50.336 88.920 85.578 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.493 88.648 87.891 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.444 89.729 86.944 1.00 0.00 H new ATOM 0 HG13 VAL A 43 47.942 88.050 87.253 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.671 86.763 86.786 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.131 86.161 86.126 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.496 86.497 85.035 1.00 0.00 H new ATOM 606 N PRO A 44 46.742 89.957 84.778 1.00 21.08 N ATOM 607 CA PRO A 44 46.139 91.319 84.598 1.00 21.01 C ATOM 608 C PRO A 44 47.040 92.425 85.170 1.00 21.95 C ATOM 609 O PRO A 44 47.673 92.262 86.199 1.00 21.40 O ATOM 610 CB PRO A 44 44.814 91.242 85.354 1.00 20.53 C ATOM 611 CG PRO A 44 45.019 90.153 86.343 1.00 18.90 C ATOM 612 CD PRO A 44 45.875 89.137 85.647 1.00 19.89 C ATOM 0 HA PRO A 44 46.010 91.573 83.546 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.581 92.187 85.845 1.00 20.53 H new ATOM 0 HB3 PRO A 44 43.985 91.019 84.682 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.507 90.527 87.243 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.068 89.719 86.652 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.458 88.549 86.356 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.275 88.435 85.068 1.00 19.89 H new ATOM 620 N ALA A 45 47.097 93.541 84.492 1.00 20.91 N ATOM 621 CA ALA A 45 47.949 94.673 84.956 1.00 19.47 C ATOM 622 C ALA A 45 47.235 96.014 84.755 1.00 19.21 C ATOM 623 O ALA A 45 46.413 96.171 83.869 1.00 19.53 O ATOM 624 CB ALA A 45 49.194 94.604 84.071 1.00 18.37 C ATOM 0 H ALA A 45 46.584 93.717 83.628 1.00 20.91 H new ATOM 0 HA ALA A 45 48.181 94.600 86.018 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.880 95.406 84.345 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.686 93.642 84.210 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.904 94.716 83.026 1.00 18.37 H new ATOM 630 N ARG A 46 47.554 96.978 85.578 1.00 0.00 N ATOM 631 CA ARG A 46 46.915 98.321 85.459 1.00 0.00 C ATOM 632 C ARG A 46 47.994 99.406 85.391 1.00 0.00 C ATOM 633 O ARG A 46 49.118 99.197 85.807 1.00 0.00 O ATOM 634 CB ARG A 46 46.062 98.475 86.726 1.00 0.00 C ATOM 635 CG ARG A 46 46.952 98.391 87.972 1.00 0.00 C ATOM 636 CD ARG A 46 46.110 98.641 89.227 1.00 0.00 C ATOM 637 NE ARG A 46 45.569 100.018 89.061 1.00 0.00 N ATOM 638 CZ ARG A 46 44.471 100.366 89.676 1.00 0.00 C ATOM 639 NH1 ARG A 46 44.455 100.465 90.977 1.00 0.00 N ATOM 640 NH2 ARG A 46 43.389 100.616 88.989 1.00 0.00 N ATOM 0 H ARG A 46 48.235 96.892 86.333 1.00 0.00 H new ATOM 0 HA ARG A 46 46.310 98.417 84.557 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.538 99.431 86.707 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.301 97.695 86.759 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.423 97.410 88.028 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.754 99.127 87.908 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.307 97.910 89.315 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.715 98.561 90.130 1.00 0.00 H new ATOM 0 HE ARG A 46 46.056 100.689 88.467 1.00 0.00 H new ATOM 0 HH11 ARG A 46 45.300 100.271 91.514 1.00 0.00 H new ATOM 0 HH12 ARG A 46 43.597 100.737 91.457 1.00 0.00 H new ATOM 0 HH21 ARG A 46 43.402 100.539 87.972 1.00 0.00 H new ATOM 0 HH22 ARG A 46 42.531 100.888 89.469 1.00 0.00 H new ATOM 654 N LEU A 47 47.661 100.562 84.873 1.00 0.00 N ATOM 655 CA LEU A 47 48.670 101.661 84.782 1.00 0.00 C ATOM 656 C LEU A 47 48.486 102.619 85.961 1.00 0.00 C ATOM 657 O LEU A 47 47.453 103.245 86.104 1.00 0.00 O ATOM 658 CB LEU A 47 48.372 102.366 83.458 1.00 0.00 C ATOM 659 CG LEU A 47 49.513 103.329 83.118 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.484 103.646 81.623 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.343 104.625 83.915 1.00 0.00 C ATOM 0 H LEU A 47 46.736 100.792 84.510 1.00 0.00 H new ATOM 0 HA LEU A 47 49.697 101.296 84.818 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.254 101.631 82.662 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.431 102.912 83.529 1.00 0.00 H new ATOM 0 HG LEU A 47 50.466 102.866 83.374 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.296 104.332 81.381 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.605 102.725 81.053 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.531 104.108 81.368 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.155 105.310 83.673 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.390 105.087 83.659 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.363 104.401 84.982 1.00 0.00 H new ATOM 673 N VAL A 48 49.479 102.729 86.807 1.00 0.00 N ATOM 674 CA VAL A 48 49.362 103.640 87.984 1.00 0.00 C ATOM 675 C VAL A 48 50.099 104.956 87.721 1.00 0.00 C ATOM 676 O VAL A 48 49.752 105.983 88.277 1.00 0.00 O ATOM 677 CB VAL A 48 50.003 102.879 89.150 1.00 0.00 C ATOM 678 CG1 VAL A 48 49.937 103.728 90.423 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.247 101.568 89.382 1.00 0.00 C ATOM 0 H VAL A 48 50.364 102.228 86.733 1.00 0.00 H new ATOM 0 HA VAL A 48 48.325 103.902 88.195 1.00 0.00 H new ATOM 0 HB VAL A 48 51.044 102.667 88.908 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.394 103.182 91.248 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.474 104.663 90.265 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.896 103.944 90.663 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.703 101.027 90.211 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.206 101.786 89.620 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.293 100.957 88.481 1.00 0.00 H new ATOM 689 N ALA A 49 51.120 104.941 86.893 1.00 0.00 N ATOM 690 CA ALA A 49 51.867 106.208 86.631 1.00 0.00 C ATOM 691 C ALA A 49 52.257 106.345 85.155 1.00 0.00 C ATOM 692 O ALA A 49 52.255 105.391 84.401 1.00 0.00 O ATOM 693 CB ALA A 49 53.115 106.126 87.515 1.00 0.00 C ATOM 0 H ALA A 49 51.462 104.118 86.396 1.00 0.00 H new ATOM 0 HA ALA A 49 51.255 107.081 86.857 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.717 107.024 87.378 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.816 106.045 88.560 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.701 105.250 87.237 1.00 0.00 H new ATOM 699 N ARG A 50 52.594 107.540 84.755 1.00 18.13 N ATOM 700 CA ARG A 50 52.995 107.803 83.343 1.00 20.89 C ATOM 701 C ARG A 50 54.132 108.831 83.298 1.00 22.46 C ATOM 702 O ARG A 50 54.144 109.797 84.038 1.00 23.35 O ATOM 703 CB ARG A 50 51.728 108.351 82.669 1.00 21.09 C ATOM 704 CG ARG A 50 51.310 109.680 83.310 1.00 22.20 C ATOM 705 CD ARG A 50 49.880 110.022 82.888 1.00 26.75 C ATOM 706 NE ARG A 50 49.846 111.509 82.809 1.00 26.68 N ATOM 707 CZ ARG A 50 49.712 112.097 81.652 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.672 111.840 80.906 1.00 27.75 N ATOM 709 NH2 ARG A 50 50.618 112.941 81.240 1.00 29.05 N ATOM 0 H ARG A 50 52.609 108.362 85.359 1.00 18.13 H new ATOM 0 HA ARG A 50 53.365 106.909 82.840 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.909 108.495 81.604 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.919 107.627 82.759 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.373 109.608 84.396 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.991 110.474 83.003 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.633 109.570 81.927 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.155 109.649 83.611 1.00 26.75 H new ATOM 0 HE ARG A 50 49.927 112.067 83.659 1.00 26.68 H new ATOM 0 HH11 ARG A 50 47.964 111.180 81.228 1.00 27.75 H new ATOM 0 HH12 ARG A 50 48.567 112.300 80.001 1.00 27.75 H new ATOM 0 HH21 ARG A 50 51.431 113.141 81.822 1.00 29.05 H new ATOM 0 HH22 ARG A 50 50.513 113.401 80.335 1.00 29.05 H new ATOM 723 N HIS A 51 55.086 108.619 82.428 1.00 22.89 N ATOM 724 CA HIS A 51 56.238 109.561 82.313 1.00 23.99 C ATOM 725 C HIS A 51 56.636 109.713 80.841 1.00 24.58 C ATOM 726 O HIS A 51 57.097 108.780 80.211 1.00 24.14 O ATOM 727 CB HIS A 51 57.364 108.918 83.127 1.00 22.92 C ATOM 728 CG HIS A 51 58.591 109.791 83.082 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.862 109.292 83.323 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.756 111.129 82.824 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.727 110.315 83.207 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.106 111.458 82.905 1.00 25.48 N ATOM 0 H HIS A 51 55.116 107.826 81.787 1.00 22.89 H new ATOM 0 HA HIS A 51 56.004 110.560 82.682 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.044 108.778 84.160 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.595 107.930 82.728 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.098 108.325 83.547 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.960 111.821 82.593 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.795 110.223 83.342 1.00 26.28 H new ATOM 740 N TRP A 52 56.451 110.888 80.295 1.00 24.73 N ATOM 741 CA TRP A 52 56.804 111.127 78.864 1.00 24.73 C ATOM 742 C TRP A 52 58.137 111.877 78.750 1.00 25.24 C ATOM 743 O TRP A 52 58.367 112.857 79.432 1.00 25.25 O ATOM 744 CB TRP A 52 55.675 112.012 78.333 1.00 22.37 C ATOM 745 CG TRP A 52 54.427 111.207 78.161 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.339 111.284 78.962 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.117 110.211 77.144 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.380 110.402 78.499 1.00 19.65 N ATOM 749 CE2 TRP A 52 52.812 109.718 77.381 1.00 19.51 C ATOM 750 CE3 TRP A 52 54.833 109.696 76.049 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.238 108.748 76.561 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.258 108.718 75.221 1.00 19.43 C ATOM 753 CH2 TRP A 52 52.963 108.246 75.477 1.00 18.33 C ATOM 0 H TRP A 52 56.068 111.697 80.783 1.00 24.73 H new ATOM 0 HA TRP A 52 56.912 110.194 78.312 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.493 112.836 79.023 1.00 22.37 H new ATOM 0 HB3 TRP A 52 55.966 112.453 77.380 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.236 111.929 79.822 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.465 110.273 78.931 1.00 19.65 H new ATOM 0 HE3 TRP A 52 55.831 110.054 75.843 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.240 108.387 76.762 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 54.816 108.328 74.383 1.00 19.43 H new ATOM 0 HH2 TRP A 52 52.526 107.494 74.836 1.00 18.33 H new ATOM 764 N GLN A 53 59.007 111.423 77.887 1.00 0.00 N ATOM 765 CA GLN A 53 60.326 112.103 77.710 1.00 0.00 C ATOM 766 C GLN A 53 60.422 112.661 76.287 1.00 0.00 C ATOM 767 O GLN A 53 61.062 112.085 75.426 1.00 0.00 O ATOM 768 CB GLN A 53 61.368 111.004 77.925 1.00 0.00 C ATOM 769 CG GLN A 53 62.772 111.611 77.865 1.00 0.00 C ATOM 770 CD GLN A 53 63.806 110.565 78.291 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.475 109.592 78.941 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.055 110.726 77.952 1.00 0.00 N ATOM 0 H GLN A 53 58.861 110.606 77.294 1.00 0.00 H new ATOM 0 HA GLN A 53 60.469 112.935 78.399 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.210 110.522 78.890 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.261 110.233 77.162 1.00 0.00 H new ATOM 0 HG2 GLN A 53 62.986 111.957 76.854 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.831 112.481 78.519 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.334 111.542 77.407 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.752 110.036 78.232 1.00 0.00 H new ATOM 781 N ILE A 54 59.770 113.768 76.028 1.00 28.56 N ATOM 782 CA ILE A 54 59.797 114.361 74.654 1.00 31.69 C ATOM 783 C ILE A 54 61.038 115.239 74.426 1.00 31.35 C ATOM 784 O ILE A 54 61.343 116.132 75.192 1.00 31.20 O ATOM 785 CB ILE A 54 58.484 115.173 74.524 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.509 116.425 75.415 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.282 114.302 74.910 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.281 117.288 75.110 1.00 36.11 C ATOM 0 H ILE A 54 59.219 114.288 76.711 1.00 28.56 H new ATOM 0 HA ILE A 54 59.862 113.584 73.892 1.00 31.69 H new ATOM 0 HB ILE A 54 58.393 115.488 73.484 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.513 116.137 76.466 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.421 116.994 75.237 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.365 114.884 74.815 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.233 113.436 74.249 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.393 113.966 75.941 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.295 118.177 75.740 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.297 117.586 74.062 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.375 116.716 75.311 1.00 36.11 H new ATOM 800 N THR A 55 61.738 114.994 73.347 1.00 32.39 N ATOM 801 CA THR A 55 62.939 115.814 73.010 1.00 32.79 C ATOM 802 C THR A 55 62.714 116.456 71.640 1.00 33.98 C ATOM 803 O THR A 55 62.308 115.807 70.692 1.00 33.62 O ATOM 804 CB THR A 55 64.130 114.854 73.002 1.00 32.44 C ATOM 805 OG1 THR A 55 64.264 114.259 74.284 1.00 30.14 O ATOM 806 CG2 THR A 55 65.407 115.623 72.659 1.00 31.51 C ATOM 0 H THR A 55 61.525 114.253 72.679 1.00 32.39 H new ATOM 0 HA THR A 55 63.122 116.616 73.725 1.00 32.79 H new ATOM 0 HB THR A 55 63.965 114.077 72.255 1.00 32.44 H new ATOM 0 HG1 THR A 55 65.026 113.642 74.280 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.254 114.937 72.654 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.304 116.079 71.675 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.574 116.401 73.404 1.00 31.51 H new ATOM 814 N ASP A 56 62.945 117.743 71.544 1.00 36.19 N ATOM 815 CA ASP A 56 62.715 118.455 70.255 1.00 38.66 C ATOM 816 C ASP A 56 63.964 118.423 69.367 1.00 38.50 C ATOM 817 O ASP A 56 65.030 118.008 69.778 1.00 37.75 O ATOM 818 CB ASP A 56 62.362 119.891 70.653 1.00 41.21 C ATOM 819 CG ASP A 56 61.746 120.621 69.458 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.497 121.038 68.593 1.00 43.86 O ATOM 821 OD2 ASP A 56 60.534 120.752 69.431 1.00 45.04 O ATOM 0 H ASP A 56 63.284 118.330 72.307 1.00 36.19 H new ATOM 0 HA ASP A 56 61.924 117.985 69.671 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.662 119.885 71.488 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.256 120.415 70.990 1.00 41.21 H new ATOM 826 N GLY A 57 63.817 118.850 68.139 1.00 37.51 N ATOM 827 CA GLY A 57 64.956 118.853 67.172 1.00 38.01 C ATOM 828 C GLY A 57 66.127 119.735 67.650 1.00 39.47 C ATOM 829 O GLY A 57 67.187 119.715 67.050 1.00 38.99 O ATOM 0 H GLY A 57 62.939 119.203 67.759 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.309 117.832 67.027 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.607 119.211 66.203 1.00 38.01 H new ATOM 833 N ASN A 58 65.974 120.490 68.719 1.00 0.00 N ATOM 834 CA ASN A 58 67.117 121.331 69.201 1.00 0.00 C ATOM 835 C ASN A 58 67.814 120.665 70.403 1.00 0.00 C ATOM 836 O ASN A 58 68.700 121.239 71.006 1.00 0.00 O ATOM 837 CB ASN A 58 66.500 122.672 69.596 1.00 0.00 C ATOM 838 CG ASN A 58 67.536 123.784 69.417 1.00 0.00 C ATOM 839 OD1 ASN A 58 68.019 124.340 70.382 1.00 0.00 O ATOM 840 ND2 ASN A 58 67.900 124.132 68.212 1.00 0.00 N ATOM 0 H ASN A 58 65.118 120.558 69.270 1.00 0.00 H new ATOM 0 HA ASN A 58 67.881 121.455 68.434 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.623 122.876 68.982 1.00 0.00 H new ATOM 0 HB3 ASN A 58 66.163 122.638 70.632 1.00 0.00 H new ATOM 0 HD21 ASN A 58 68.590 124.871 68.081 1.00 0.00 H new ATOM 0 HD22 ASN A 58 67.494 123.664 67.402 1.00 0.00 H new ATOM 847 N GLY A 59 67.436 119.451 70.740 1.00 0.00 N ATOM 848 CA GLY A 59 68.091 118.743 71.882 1.00 0.00 C ATOM 849 C GLY A 59 67.322 118.979 73.187 1.00 0.00 C ATOM 850 O GLY A 59 67.347 118.151 74.079 1.00 0.00 O ATOM 0 H GLY A 59 66.701 118.923 70.270 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.140 117.674 71.672 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.117 119.094 71.992 1.00 0.00 H new ATOM 854 N ARG A 60 66.645 120.094 73.313 1.00 49.10 N ATOM 855 CA ARG A 60 65.882 120.364 74.574 1.00 50.05 C ATOM 856 C ARG A 60 64.771 119.324 74.740 1.00 49.79 C ATOM 857 O ARG A 60 64.148 118.917 73.777 1.00 48.27 O ATOM 858 CB ARG A 60 65.288 121.769 74.399 1.00 52.38 C ATOM 859 CG ARG A 60 66.023 122.769 75.306 1.00 55.08 C ATOM 860 CD ARG A 60 66.917 123.682 74.459 1.00 57.97 C ATOM 861 NE ARG A 60 65.985 124.385 73.533 1.00 60.72 N ATOM 862 CZ ARG A 60 65.313 125.423 73.950 1.00 61.65 C ATOM 863 NH1 ARG A 60 64.140 125.264 74.500 1.00 62.78 N ATOM 864 NH2 ARG A 60 65.814 126.620 73.816 1.00 61.80 N ATOM 0 H ARG A 60 66.587 120.825 72.604 1.00 49.10 H new ATOM 0 HA ARG A 60 66.513 120.306 75.461 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.372 122.081 73.358 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.226 121.757 74.644 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.301 123.367 75.863 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.626 122.233 76.039 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.462 124.390 75.083 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.660 123.106 73.908 1.00 57.97 H new ATOM 0 HE ARG A 60 65.872 124.055 72.574 1.00 60.72 H new ATOM 0 HH11 ARG A 60 63.748 124.328 74.604 1.00 62.78 H new ATOM 0 HH12 ARG A 60 63.615 126.076 74.826 1.00 62.78 H new ATOM 0 HH21 ARG A 60 66.730 126.744 73.386 1.00 61.80 H new ATOM 0 HH22 ARG A 60 65.289 127.432 74.142 1.00 61.80 H new ATOM 878 N THR A 61 64.522 118.887 75.952 1.00 0.00 N ATOM 879 CA THR A 61 63.450 117.868 76.169 1.00 0.00 C ATOM 880 C THR A 61 62.578 118.245 77.370 1.00 0.00 C ATOM 881 O THR A 61 63.018 118.924 78.278 1.00 0.00 O ATOM 882 CB THR A 61 64.191 116.549 76.420 1.00 0.00 C ATOM 883 OG1 THR A 61 63.246 115.515 76.660 1.00 0.00 O ATOM 884 CG2 THR A 61 65.114 116.689 77.634 1.00 0.00 C ATOM 0 H THR A 61 65.012 119.190 76.794 1.00 0.00 H new ATOM 0 HA THR A 61 62.778 117.796 75.314 1.00 0.00 H new ATOM 0 HB THR A 61 64.790 116.303 75.543 1.00 0.00 H new ATOM 0 HG1 THR A 61 62.360 115.806 76.360 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.636 115.747 77.805 1.00 0.00 H new ATOM 0 HG22 THR A 61 65.842 117.479 77.449 1.00 0.00 H new ATOM 0 HG23 THR A 61 64.522 116.940 78.514 1.00 0.00 H new ATOM 892 N GLU A 62 61.343 117.809 77.377 1.00 0.00 N ATOM 893 CA GLU A 62 60.432 118.138 78.512 1.00 0.00 C ATOM 894 C GLU A 62 59.920 116.850 79.166 1.00 0.00 C ATOM 895 O GLU A 62 59.340 115.998 78.516 1.00 0.00 O ATOM 896 CB GLU A 62 59.279 118.921 77.881 1.00 0.00 C ATOM 897 CG GLU A 62 58.287 119.346 78.970 1.00 0.00 C ATOM 898 CD GLU A 62 57.125 120.131 78.348 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.291 120.643 77.251 1.00 0.00 O ATOM 900 OE2 GLU A 62 56.088 120.213 78.986 1.00 0.00 O ATOM 0 H GLU A 62 60.927 117.237 76.642 1.00 0.00 H new ATOM 0 HA GLU A 62 60.931 118.712 79.293 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.664 119.799 77.363 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.774 118.307 77.135 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.905 118.466 79.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.794 119.960 79.715 1.00 0.00 H new ATOM 907 N GLN A 63 60.144 116.705 80.446 1.00 0.00 N ATOM 908 CA GLN A 63 59.687 115.478 81.162 1.00 0.00 C ATOM 909 C GLN A 63 58.416 115.762 81.968 1.00 0.00 C ATOM 910 O GLN A 63 58.309 116.770 82.642 1.00 0.00 O ATOM 911 CB GLN A 63 60.840 115.141 82.109 1.00 0.00 C ATOM 912 CG GLN A 63 62.041 114.650 81.299 1.00 0.00 C ATOM 913 CD GLN A 63 63.194 114.316 82.246 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.419 115.010 83.218 1.00 0.00 O ATOM 915 NE2 GLN A 63 63.941 113.274 82.004 1.00 0.00 N ATOM 0 H GLN A 63 60.627 117.388 81.029 1.00 0.00 H new ATOM 0 HA GLN A 63 59.450 114.666 80.475 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.116 116.021 82.690 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.529 114.374 82.819 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.766 113.769 80.719 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.351 115.416 80.588 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.754 112.690 81.189 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.712 113.043 82.630 1.00 0.00 H new ATOM 924 N VAL A 64 57.455 114.877 81.900 1.00 37.94 N ATOM 925 CA VAL A 64 56.183 115.082 82.658 1.00 37.05 C ATOM 926 C VAL A 64 55.861 113.831 83.482 1.00 36.89 C ATOM 927 O VAL A 64 55.928 112.720 82.997 1.00 36.32 O ATOM 928 CB VAL A 64 55.111 115.333 81.593 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.755 115.557 82.268 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.479 116.574 80.777 1.00 35.74 C ATOM 0 H VAL A 64 57.496 114.019 81.351 1.00 37.94 H new ATOM 0 HA VAL A 64 56.245 115.915 83.359 1.00 37.05 H new ATOM 0 HB VAL A 64 55.051 114.466 80.935 1.00 36.50 H new ATOM 0 HG11 VAL A 64 52.995 115.735 81.507 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.487 114.674 82.849 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.816 116.421 82.929 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.715 116.751 80.020 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.542 117.438 81.438 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.442 116.418 80.291 1.00 35.74 H new ATOM 940 N ASP A 65 55.522 114.019 84.731 1.00 0.00 N ATOM 941 CA ASP A 65 55.202 112.863 85.621 1.00 0.00 C ATOM 942 C ASP A 65 53.812 113.032 86.238 1.00 0.00 C ATOM 943 O ASP A 65 53.507 114.051 86.829 1.00 0.00 O ATOM 944 CB ASP A 65 56.275 112.899 86.710 1.00 0.00 C ATOM 945 CG ASP A 65 56.193 111.624 87.551 1.00 0.00 C ATOM 946 OD1 ASP A 65 55.225 111.480 88.280 1.00 0.00 O ATOM 947 OD2 ASP A 65 57.099 110.813 87.452 1.00 0.00 O ATOM 0 H ASP A 65 55.453 114.934 85.177 1.00 0.00 H new ATOM 0 HA ASP A 65 55.194 111.917 85.080 1.00 0.00 H new ATOM 0 HB2 ASP A 65 57.263 112.986 86.259 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.135 113.775 87.344 1.00 0.00 H new ATOM 952 N GLY A 66 52.970 112.037 86.109 1.00 31.82 N ATOM 953 CA GLY A 66 51.599 112.125 86.692 1.00 29.07 C ATOM 954 C GLY A 66 51.084 110.713 86.984 1.00 27.67 C ATOM 955 O GLY A 66 51.687 109.733 86.587 1.00 27.18 O ATOM 0 H GLY A 66 53.176 111.164 85.623 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.618 112.715 87.608 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.928 112.634 85.999 1.00 29.07 H new ATOM 959 N GLU A 67 49.978 110.599 87.676 1.00 0.00 N ATOM 960 CA GLU A 67 49.423 109.248 87.994 1.00 0.00 C ATOM 961 C GLU A 67 48.072 109.056 87.299 1.00 0.00 C ATOM 962 O GLU A 67 47.417 110.010 86.932 1.00 0.00 O ATOM 963 CB GLU A 67 49.249 109.240 89.513 1.00 0.00 C ATOM 964 CG GLU A 67 50.627 109.244 90.185 1.00 0.00 C ATOM 965 CD GLU A 67 50.470 109.236 91.711 1.00 0.00 C ATOM 966 OE1 GLU A 67 49.404 109.596 92.188 1.00 0.00 O ATOM 967 OE2 GLU A 67 51.423 108.869 92.380 1.00 0.00 O ATOM 0 H GLU A 67 49.435 111.384 88.035 1.00 0.00 H new ATOM 0 HA GLU A 67 50.074 108.443 87.653 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.676 110.112 89.829 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.685 108.359 89.821 1.00 0.00 H new ATOM 0 HG2 GLU A 67 51.198 108.372 89.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 51.189 110.125 89.874 1.00 0.00 H new ATOM 974 N GLY A 68 47.640 107.826 87.133 1.00 22.62 N ATOM 975 CA GLY A 68 46.317 107.551 86.481 1.00 22.36 C ATOM 976 C GLY A 68 46.171 108.321 85.161 1.00 20.38 C ATOM 977 O GLY A 68 45.798 109.477 85.150 1.00 21.93 O ATOM 0 H GLY A 68 48.152 106.994 87.424 1.00 22.62 H new ATOM 0 HA2 GLY A 68 46.218 106.482 86.293 1.00 22.36 H new ATOM 0 HA3 GLY A 68 45.511 107.832 87.159 1.00 22.36 H new ATOM 981 N VAL A 69 46.465 107.685 84.046 1.00 17.51 N ATOM 982 CA VAL A 69 46.349 108.369 82.707 1.00 15.40 C ATOM 983 C VAL A 69 45.025 109.130 82.580 1.00 17.02 C ATOM 984 O VAL A 69 43.973 108.633 82.917 1.00 17.35 O ATOM 985 CB VAL A 69 46.416 107.248 81.660 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.800 106.598 81.696 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.342 106.190 81.936 1.00 8.21 C ATOM 0 H VAL A 69 46.782 106.716 84.004 1.00 17.51 H new ATOM 0 HA VAL A 69 47.144 109.103 82.575 1.00 15.40 H new ATOM 0 HB VAL A 69 46.237 107.677 80.674 1.00 12.26 H new ATOM 0 HG11 VAL A 69 47.848 105.802 80.953 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.560 107.347 81.474 1.00 8.73 H new ATOM 0 HG13 VAL A 69 47.980 106.181 82.687 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.404 105.403 81.184 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.500 105.760 82.925 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.356 106.653 81.895 1.00 8.21 H new ATOM 997 N VAL A 70 45.104 110.354 82.112 1.00 17.68 N ATOM 998 CA VAL A 70 43.900 111.243 81.949 1.00 16.81 C ATOM 999 C VAL A 70 42.944 111.119 83.154 1.00 17.08 C ATOM 1000 O VAL A 70 41.739 111.232 83.026 1.00 16.77 O ATOM 1001 CB VAL A 70 43.222 110.849 80.617 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.250 110.863 79.479 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.590 109.459 80.720 1.00 20.55 C ATOM 0 H VAL A 70 45.981 110.790 81.826 1.00 17.68 H new ATOM 0 HA VAL A 70 44.193 112.292 81.918 1.00 16.81 H new ATOM 0 HB VAL A 70 42.437 111.575 80.406 1.00 18.60 H new ATOM 0 HG11 VAL A 70 43.763 110.584 78.545 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.673 111.863 79.383 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.046 110.152 79.699 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.119 109.202 79.771 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.361 108.725 80.952 1.00 20.55 H new ATOM 0 HG23 VAL A 70 41.839 109.458 81.510 1.00 20.55 H new ATOM 1013 N GLY A 71 43.497 110.924 84.326 1.00 17.30 N ATOM 1014 CA GLY A 71 42.667 110.831 85.566 1.00 16.44 C ATOM 1015 C GLY A 71 42.101 109.420 85.784 1.00 18.03 C ATOM 1016 O GLY A 71 41.109 109.262 86.474 1.00 18.29 O ATOM 0 H GLY A 71 44.501 110.824 84.477 1.00 17.30 H new ATOM 0 HA2 GLY A 71 43.272 111.115 86.427 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.845 111.544 85.505 1.00 16.44 H new ATOM 1020 N GLU A 72 42.707 108.394 85.227 1.00 0.00 N ATOM 1021 CA GLU A 72 42.158 107.016 85.450 1.00 0.00 C ATOM 1022 C GLU A 72 43.265 105.957 85.557 1.00 0.00 C ATOM 1023 O GLU A 72 44.332 106.075 84.978 1.00 0.00 O ATOM 1024 CB GLU A 72 41.242 106.719 84.254 1.00 0.00 C ATOM 1025 CG GLU A 72 42.044 106.729 82.949 1.00 0.00 C ATOM 1026 CD GLU A 72 41.479 105.677 81.994 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.325 105.804 81.618 1.00 0.00 O ATOM 1028 OE2 GLU A 72 42.210 104.761 81.654 1.00 0.00 O ATOM 0 H GLU A 72 43.540 108.448 84.640 1.00 0.00 H new ATOM 0 HA GLU A 72 41.618 106.977 86.396 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.764 105.748 84.387 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.446 107.462 84.204 1.00 0.00 H new ATOM 0 HG2 GLU A 72 41.997 107.716 82.489 1.00 0.00 H new ATOM 0 HG3 GLU A 72 43.094 106.523 83.154 1.00 0.00 H new ATOM 1035 N GLN A 73 42.984 104.915 86.292 1.00 13.09 N ATOM 1036 CA GLN A 73 43.950 103.795 86.470 1.00 15.45 C ATOM 1037 C GLN A 73 43.314 102.518 85.896 1.00 15.30 C ATOM 1038 O GLN A 73 42.891 101.649 86.633 1.00 16.40 O ATOM 1039 CB GLN A 73 44.128 103.672 87.985 1.00 18.12 C ATOM 1040 CG GLN A 73 44.922 104.871 88.505 1.00 18.21 C ATOM 1041 CD GLN A 73 44.904 104.873 90.035 1.00 16.98 C ATOM 1042 OE1 GLN A 73 44.138 105.594 90.644 1.00 18.14 O ATOM 1043 NE2 GLN A 73 45.719 104.090 90.686 1.00 14.04 N ATOM 0 H GLN A 73 42.102 104.792 86.789 1.00 13.09 H new ATOM 0 HA GLN A 73 44.904 103.955 85.968 1.00 15.45 H new ATOM 0 HB2 GLN A 73 43.155 103.627 88.474 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.649 102.745 88.227 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.949 104.824 88.143 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.492 105.798 88.125 1.00 18.21 H new ATOM 0 HE21 GLN A 73 46.362 103.485 90.175 1.00 14.04 H new ATOM 0 HE22 GLN A 73 45.713 104.083 91.706 1.00 14.04 H new ATOM 1052 N PRO A 74 43.235 102.466 84.583 1.00 15.25 N ATOM 1053 CA PRO A 74 42.593 101.282 83.935 1.00 16.63 C ATOM 1054 C PRO A 74 43.228 99.959 84.377 1.00 17.41 C ATOM 1055 O PRO A 74 44.431 99.848 84.533 1.00 17.61 O ATOM 1056 CB PRO A 74 42.817 101.508 82.444 1.00 16.18 C ATOM 1057 CG PRO A 74 44.023 102.378 82.365 1.00 16.38 C ATOM 1058 CD PRO A 74 44.006 103.245 83.593 1.00 13.89 C ATOM 0 HA PRO A 74 41.541 101.200 84.207 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.975 100.565 81.921 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.953 101.987 81.983 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.932 101.778 82.327 1.00 16.38 H new ATOM 0 HG3 PRO A 74 44.004 102.986 81.461 1.00 16.38 H new ATOM 0 HD2 PRO A 74 45.016 103.450 83.948 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.537 104.208 83.393 1.00 13.89 H new ATOM 1066 N TRP A 75 42.412 98.950 84.552 1.00 0.00 N ATOM 1067 CA TRP A 75 42.922 97.607 84.955 1.00 0.00 C ATOM 1068 C TRP A 75 42.912 96.691 83.729 1.00 0.00 C ATOM 1069 O TRP A 75 42.049 95.848 83.578 1.00 0.00 O ATOM 1070 CB TRP A 75 41.935 97.108 86.010 1.00 0.00 C ATOM 1071 CG TRP A 75 42.578 96.034 86.827 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.509 96.242 87.785 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.356 94.595 86.777 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.875 95.023 88.326 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.192 93.977 87.739 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.520 93.773 85.999 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.197 92.594 87.921 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.524 92.380 86.181 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.361 91.792 87.140 1.00 0.00 C ATOM 0 H TRP A 75 41.401 99.002 84.431 1.00 0.00 H new ATOM 0 HA TRP A 75 43.940 97.632 85.345 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.626 97.932 86.653 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.035 96.724 85.529 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.903 97.203 88.080 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.565 94.911 89.068 1.00 0.00 H new ATOM 0 HE3 TRP A 75 40.871 94.216 85.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 43.843 92.146 88.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 40.878 91.758 85.579 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.359 90.720 87.275 1.00 0.00 H new ATOM 1090 N LEU A 76 43.850 96.880 82.840 1.00 18.07 N ATOM 1091 CA LEU A 76 43.891 96.053 81.595 1.00 17.96 C ATOM 1092 C LEU A 76 44.046 94.564 81.904 1.00 19.47 C ATOM 1093 O LEU A 76 45.030 94.137 82.477 1.00 20.57 O ATOM 1094 CB LEU A 76 45.107 96.555 80.819 1.00 16.79 C ATOM 1095 CG LEU A 76 44.704 97.746 79.949 1.00 17.27 C ATOM 1096 CD1 LEU A 76 45.948 98.316 79.271 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.705 97.290 78.879 1.00 15.14 C ATOM 0 H LEU A 76 44.593 97.574 82.921 1.00 18.07 H new ATOM 0 HA LEU A 76 42.962 96.152 81.033 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.897 96.848 81.511 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.509 95.756 80.196 1.00 16.79 H new ATOM 0 HG LEU A 76 44.240 98.511 80.572 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.666 99.166 78.649 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.659 98.642 80.030 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.408 97.548 78.649 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.420 98.141 78.261 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.166 96.525 78.253 1.00 15.14 H new ATOM 0 HD23 LEU A 76 42.818 96.879 79.361 1.00 15.14 H new ATOM 1109 N ARG A 77 43.092 93.772 81.491 1.00 0.00 N ATOM 1110 CA ARG A 77 43.181 92.302 81.712 1.00 0.00 C ATOM 1111 C ARG A 77 43.975 91.686 80.555 1.00 0.00 C ATOM 1112 O ARG A 77 44.077 92.288 79.502 1.00 0.00 O ATOM 1113 CB ARG A 77 41.732 91.801 81.703 1.00 0.00 C ATOM 1114 CG ARG A 77 41.293 91.468 83.132 1.00 0.00 C ATOM 1115 CD ARG A 77 40.356 90.257 83.111 1.00 0.00 C ATOM 1116 NE ARG A 77 38.983 90.832 83.134 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.037 90.293 82.414 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.833 89.006 82.464 1.00 0.00 N ATOM 1119 NH2 ARG A 77 37.295 91.042 81.645 1.00 0.00 N ATOM 0 H ARG A 77 42.250 94.084 81.007 1.00 0.00 H new ATOM 0 HA ARG A 77 43.680 92.037 82.644 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.077 92.562 81.279 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.646 90.917 81.071 1.00 0.00 H new ATOM 0 HG2 ARG A 77 42.165 91.256 83.751 1.00 0.00 H new ATOM 0 HG3 ARG A 77 40.787 92.325 83.577 1.00 0.00 H new ATOM 0 HD2 ARG A 77 40.515 89.650 82.219 1.00 0.00 H new ATOM 0 HD3 ARG A 77 40.528 89.610 83.971 1.00 0.00 H new ATOM 0 HE ARG A 77 38.781 91.647 83.713 1.00 0.00 H new ATOM 0 HH11 ARG A 77 38.413 88.421 83.066 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.094 88.585 81.901 1.00 0.00 H new ATOM 0 HH21 ARG A 77 37.454 92.049 81.606 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.556 90.621 81.082 1.00 0.00 H new ATOM 1133 N PRO A 78 44.527 90.513 80.778 1.00 23.86 N ATOM 1134 CA PRO A 78 45.322 89.881 79.680 1.00 24.22 C ATOM 1135 C PRO A 78 44.504 89.795 78.381 1.00 24.36 C ATOM 1136 O PRO A 78 43.399 89.286 78.357 1.00 22.27 O ATOM 1137 CB PRO A 78 45.664 88.494 80.212 1.00 25.39 C ATOM 1138 CG PRO A 78 44.599 88.199 81.212 1.00 27.04 C ATOM 1139 CD PRO A 78 44.187 89.518 81.811 1.00 25.13 C ATOM 0 HA PRO A 78 46.212 90.457 79.427 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.672 87.754 79.412 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.653 88.478 80.670 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.749 87.707 80.738 1.00 27.04 H new ATOM 0 HG3 PRO A 78 44.969 87.523 81.983 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.122 89.534 82.042 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.718 89.715 82.742 1.00 25.13 H new ATOM 1147 N GLY A 79 45.060 90.293 77.306 1.00 24.74 N ATOM 1148 CA GLY A 79 44.348 90.253 75.993 1.00 23.79 C ATOM 1149 C GLY A 79 43.488 91.514 75.801 1.00 23.44 C ATOM 1150 O GLY A 79 43.076 91.819 74.697 1.00 22.44 O ATOM 0 H GLY A 79 45.982 90.728 77.281 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.073 90.175 75.183 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.717 89.366 75.943 1.00 23.79 H new ATOM 1154 N GLU A 80 43.215 92.251 76.855 1.00 23.31 N ATOM 1155 CA GLU A 80 42.383 93.489 76.713 1.00 21.90 C ATOM 1156 C GLU A 80 43.267 94.690 76.363 1.00 20.95 C ATOM 1157 O GLU A 80 44.474 94.648 76.503 1.00 19.52 O ATOM 1158 CB GLU A 80 41.720 93.688 78.075 1.00 23.06 C ATOM 1159 CG GLU A 80 40.365 94.374 77.889 1.00 23.88 C ATOM 1160 CD GLU A 80 39.413 93.432 77.149 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.487 92.238 77.391 1.00 25.91 O ATOM 1162 OE2 GLU A 80 38.627 93.919 76.354 1.00 29.38 O ATOM 0 H GLU A 80 43.532 92.049 77.803 1.00 23.31 H new ATOM 0 HA GLU A 80 41.647 93.396 75.914 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.587 92.726 78.571 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.360 94.292 78.718 1.00 23.06 H new ATOM 0 HG2 GLU A 80 39.946 94.644 78.858 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.488 95.299 77.326 1.00 23.88 H new ATOM 1169 N ALA A 81 42.666 95.761 75.902 1.00 0.00 N ATOM 1170 CA ALA A 81 43.456 96.973 75.531 1.00 0.00 C ATOM 1171 C ALA A 81 42.658 98.244 75.851 1.00 0.00 C ATOM 1172 O ALA A 81 41.443 98.254 75.791 1.00 0.00 O ATOM 1173 CB ALA A 81 43.690 96.850 74.025 1.00 0.00 C ATOM 0 H ALA A 81 41.659 95.846 75.767 1.00 0.00 H new ATOM 0 HA ALA A 81 44.393 97.040 76.083 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.266 97.707 73.675 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.240 95.933 73.816 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.730 96.823 73.509 1.00 0.00 H new ATOM 1179 N PHE A 82 43.336 99.316 76.179 1.00 18.56 N ATOM 1180 CA PHE A 82 42.630 100.596 76.489 1.00 17.00 C ATOM 1181 C PHE A 82 43.079 101.674 75.494 1.00 16.61 C ATOM 1182 O PHE A 82 44.224 101.694 75.081 1.00 15.77 O ATOM 1183 CB PHE A 82 43.063 100.954 77.913 1.00 13.41 C ATOM 1184 CG PHE A 82 42.403 102.247 78.338 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.152 102.217 78.966 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.038 103.471 78.099 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.537 103.413 79.358 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.422 104.666 78.489 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.172 104.637 79.119 1.00 9.06 C ATOM 0 H PHE A 82 44.353 99.359 76.245 1.00 18.56 H new ATOM 0 HA PHE A 82 41.546 100.513 76.412 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.789 100.152 78.599 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.147 101.056 77.959 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.661 101.272 79.148 1.00 10.24 H new ATOM 0 HD2 PHE A 82 44.003 103.494 77.614 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.573 103.391 79.845 1.00 10.01 H new ATOM 0 HE2 PHE A 82 42.911 105.611 78.304 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.698 105.559 79.421 1.00 9.06 H new ATOM 1199 N HIS A 83 42.199 102.561 75.097 1.00 0.00 N ATOM 1200 CA HIS A 83 42.601 103.621 74.120 1.00 0.00 C ATOM 1201 C HIS A 83 41.895 104.950 74.420 1.00 0.00 C ATOM 1202 O HIS A 83 40.727 104.982 74.759 1.00 0.00 O ATOM 1203 CB HIS A 83 42.180 103.082 72.746 1.00 0.00 C ATOM 1204 CG HIS A 83 40.694 102.827 72.719 1.00 0.00 C ATOM 1205 ND1 HIS A 83 40.133 101.676 73.250 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.645 103.565 72.230 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.801 101.754 73.069 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.451 102.885 72.451 1.00 0.00 N ATOM 0 H HIS A 83 41.227 102.597 75.404 1.00 0.00 H new ATOM 0 HA HIS A 83 43.670 103.827 74.170 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.448 103.798 71.969 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.719 102.160 72.529 1.00 0.00 H new ATOM 0 HD2 HIS A 83 39.733 104.527 71.747 1.00 0.00 H new ATOM 0 HE1 HIS A 83 38.101 100.995 73.385 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.510 103.186 72.196 1.00 0.00 H new ATOM 1216 N TYR A 84 42.599 106.046 74.274 1.00 21.96 N ATOM 1217 CA TYR A 84 41.982 107.386 74.522 1.00 22.81 C ATOM 1218 C TYR A 84 42.669 108.445 73.643 1.00 25.11 C ATOM 1219 O TYR A 84 43.768 108.240 73.164 1.00 26.65 O ATOM 1220 CB TYR A 84 42.179 107.666 76.022 1.00 19.35 C ATOM 1221 CG TYR A 84 43.645 107.851 76.353 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.440 106.742 76.661 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.201 109.136 76.363 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.792 106.916 76.978 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.553 109.310 76.681 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.349 108.200 76.988 1.00 12.19 C ATOM 1227 OH TYR A 84 47.681 108.372 77.300 1.00 13.46 O ATOM 0 H TYR A 84 43.579 106.070 73.992 1.00 21.96 H new ATOM 0 HA TYR A 84 40.923 107.413 74.267 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.623 108.560 76.304 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.772 106.840 76.606 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.010 105.751 76.654 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.587 109.992 76.126 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.406 106.059 77.215 1.00 9.20 H new ATOM 0 HE2 TYR A 84 45.982 110.301 76.690 1.00 14.00 H new ATOM 0 HH TYR A 84 47.906 109.325 77.260 1.00 13.46 H new ATOM 1237 N THR A 85 42.026 109.564 73.423 1.00 26.58 N ATOM 1238 CA THR A 85 42.638 110.627 72.565 1.00 26.99 C ATOM 1239 C THR A 85 43.248 111.739 73.426 1.00 28.14 C ATOM 1240 O THR A 85 42.655 112.189 74.388 1.00 27.02 O ATOM 1241 CB THR A 85 41.483 111.172 71.724 1.00 26.65 C ATOM 1242 OG1 THR A 85 40.873 110.104 71.013 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.014 112.209 70.734 1.00 21.76 C ATOM 0 H THR A 85 41.105 109.788 73.799 1.00 26.58 H new ATOM 0 HA THR A 85 43.446 110.235 71.948 1.00 26.99 H new ATOM 0 HB THR A 85 40.748 111.642 72.377 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.131 110.451 70.475 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.189 112.596 70.135 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.482 113.028 71.281 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.750 111.743 70.079 1.00 21.76 H new ATOM 1251 N SER A 86 44.432 112.184 73.080 1.00 29.06 N ATOM 1252 CA SER A 86 45.094 113.268 73.867 1.00 29.05 C ATOM 1253 C SER A 86 45.502 114.420 72.939 1.00 29.43 C ATOM 1254 O SER A 86 45.488 114.277 71.726 1.00 29.12 O ATOM 1255 CB SER A 86 46.332 112.608 74.464 1.00 29.12 C ATOM 1256 OG SER A 86 47.154 113.611 75.045 1.00 33.88 O ATOM 0 H SER A 86 44.969 111.841 72.283 1.00 29.06 H new ATOM 0 HA SER A 86 44.439 113.688 74.630 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.042 111.875 75.217 1.00 29.12 H new ATOM 0 HB3 SER A 86 46.882 112.071 73.692 1.00 29.12 H new ATOM 0 HG SER A 86 48.031 113.609 74.608 1.00 33.88 H new ATOM 1262 N GLY A 87 45.879 115.554 73.485 1.00 29.08 N ATOM 1263 CA GLY A 87 46.292 116.700 72.616 1.00 29.89 C ATOM 1264 C GLY A 87 47.567 117.356 73.162 1.00 31.80 C ATOM 1265 O GLY A 87 47.649 117.708 74.324 1.00 31.40 O ATOM 0 H GLY A 87 45.918 115.733 74.488 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.464 116.349 71.598 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.489 117.436 72.568 1.00 29.89 H new ATOM 1269 N VAL A 88 48.554 117.534 72.320 1.00 0.00 N ATOM 1270 CA VAL A 88 49.832 118.183 72.757 1.00 0.00 C ATOM 1271 C VAL A 88 50.234 119.252 71.730 1.00 0.00 C ATOM 1272 O VAL A 88 49.952 119.130 70.552 1.00 0.00 O ATOM 1273 CB VAL A 88 50.869 117.045 72.819 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.281 117.614 73.017 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.543 116.128 73.999 1.00 0.00 C ATOM 0 H VAL A 88 48.530 117.255 71.339 1.00 0.00 H new ATOM 0 HA VAL A 88 49.746 118.682 73.722 1.00 0.00 H new ATOM 0 HB VAL A 88 50.832 116.490 71.882 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.000 116.796 73.059 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.528 118.273 72.184 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.319 118.178 73.949 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.275 115.321 74.046 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.575 116.702 74.925 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.546 115.706 73.868 1.00 0.00 H new ATOM 1285 N LEU A 89 50.884 120.298 72.174 1.00 0.00 N ATOM 1286 CA LEU A 89 51.300 121.383 71.234 1.00 0.00 C ATOM 1287 C LEU A 89 52.821 121.381 71.050 1.00 0.00 C ATOM 1288 O LEU A 89 53.567 121.115 71.973 1.00 0.00 O ATOM 1289 CB LEU A 89 50.841 122.680 71.902 1.00 0.00 C ATOM 1290 CG LEU A 89 51.151 123.866 70.987 1.00 0.00 C ATOM 1291 CD1 LEU A 89 50.098 123.947 69.881 1.00 0.00 C ATOM 1292 CD2 LEU A 89 51.129 125.159 71.806 1.00 0.00 C ATOM 0 H LEU A 89 51.145 120.448 73.149 1.00 0.00 H new ATOM 0 HA LEU A 89 50.866 121.256 70.242 1.00 0.00 H new ATOM 0 HB2 LEU A 89 49.771 122.636 72.108 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.345 122.806 72.860 1.00 0.00 H new ATOM 0 HG LEU A 89 52.137 123.733 70.541 1.00 0.00 H new ATOM 0 HD11 LEU A 89 50.319 124.792 69.229 1.00 0.00 H new ATOM 0 HD12 LEU A 89 50.111 123.026 69.298 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.112 124.081 70.326 1.00 0.00 H new ATOM 0 HD21 LEU A 89 51.350 126.005 71.156 1.00 0.00 H new ATOM 0 HD22 LEU A 89 50.143 125.291 72.251 1.00 0.00 H new ATOM 0 HD23 LEU A 89 51.879 125.103 72.595 1.00 0.00 H new ATOM 1304 N LEU A 90 53.281 121.675 69.859 1.00 37.85 N ATOM 1305 CA LEU A 90 54.753 121.691 69.599 1.00 36.74 C ATOM 1306 C LEU A 90 55.176 123.076 69.102 1.00 35.30 C ATOM 1307 O LEU A 90 54.441 123.732 68.389 1.00 35.10 O ATOM 1308 CB LEU A 90 54.970 120.639 68.511 1.00 38.41 C ATOM 1309 CG LEU A 90 56.445 120.238 68.473 1.00 38.68 C ATOM 1310 CD1 LEU A 90 56.745 119.286 69.631 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.750 119.537 67.144 1.00 38.08 C ATOM 0 H LEU A 90 52.699 121.905 69.054 1.00 37.85 H new ATOM 0 HA LEU A 90 55.340 121.478 70.492 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.350 119.764 68.708 1.00 38.41 H new ATOM 0 HB3 LEU A 90 54.665 121.035 67.542 1.00 38.41 H new ATOM 0 HG LEU A 90 57.066 121.129 68.565 1.00 38.68 H new ATOM 0 HD11 LEU A 90 57.796 119.000 69.604 1.00 37.80 H new ATOM 0 HD12 LEU A 90 56.528 119.783 70.576 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.124 118.395 69.539 1.00 37.80 H new ATOM 0 HD21 LEU A 90 57.801 119.251 67.116 1.00 38.08 H new ATOM 0 HD22 LEU A 90 56.129 118.646 67.052 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.537 120.215 66.318 1.00 38.08 H new ATOM 1323 N GLU A 91 56.346 123.533 69.476 1.00 0.00 N ATOM 1324 CA GLU A 91 56.804 124.886 69.027 1.00 0.00 C ATOM 1325 C GLU A 91 57.259 124.857 67.561 1.00 0.00 C ATOM 1326 O GLU A 91 57.233 125.864 66.879 1.00 0.00 O ATOM 1327 CB GLU A 91 57.970 125.250 69.960 1.00 0.00 C ATOM 1328 CG GLU A 91 59.144 124.282 69.756 1.00 0.00 C ATOM 1329 CD GLU A 91 59.929 124.149 71.062 1.00 0.00 C ATOM 1330 OE1 GLU A 91 59.520 123.362 71.900 1.00 0.00 O ATOM 1331 OE2 GLU A 91 60.926 124.837 71.203 1.00 0.00 O ATOM 0 H GLU A 91 57.003 123.029 70.072 1.00 0.00 H new ATOM 0 HA GLU A 91 56.001 125.621 69.078 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.295 126.272 69.764 1.00 0.00 H new ATOM 0 HB3 GLU A 91 57.638 125.215 70.998 1.00 0.00 H new ATOM 0 HG2 GLU A 91 58.774 123.306 69.441 1.00 0.00 H new ATOM 0 HG3 GLU A 91 59.796 124.647 68.963 1.00 0.00 H new ATOM 1338 N THR A 92 57.680 123.714 67.074 1.00 31.63 N ATOM 1339 CA THR A 92 58.141 123.629 65.654 1.00 28.98 C ATOM 1340 C THR A 92 57.354 122.556 64.898 1.00 28.33 C ATOM 1341 O THR A 92 56.579 121.818 65.477 1.00 29.20 O ATOM 1342 CB THR A 92 59.622 123.260 65.734 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.249 124.041 66.742 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.292 123.531 64.385 1.00 25.50 C ATOM 0 H THR A 92 57.724 122.840 67.597 1.00 31.63 H new ATOM 0 HA THR A 92 57.986 124.565 65.117 1.00 28.98 H new ATOM 0 HB THR A 92 59.720 122.202 65.979 1.00 29.53 H new ATOM 0 HG1 THR A 92 61.198 123.804 66.796 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.348 123.267 64.444 1.00 25.50 H new ATOM 0 HG22 THR A 92 59.811 122.931 63.613 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.195 124.588 64.136 1.00 25.50 H new ATOM 1352 N GLU A 93 57.537 122.480 63.603 1.00 0.00 N ATOM 1353 CA GLU A 93 56.793 121.470 62.790 1.00 0.00 C ATOM 1354 C GLU A 93 57.522 120.118 62.763 1.00 0.00 C ATOM 1355 O GLU A 93 57.172 119.246 61.990 1.00 0.00 O ATOM 1356 CB GLU A 93 56.744 122.067 61.383 1.00 0.00 C ATOM 1357 CG GLU A 93 55.632 121.388 60.577 1.00 0.00 C ATOM 1358 CD GLU A 93 55.572 121.978 59.161 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.076 123.074 58.966 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.020 121.321 58.294 1.00 0.00 O ATOM 0 H GLU A 93 58.172 123.076 63.073 1.00 0.00 H new ATOM 0 HA GLU A 93 55.804 121.274 63.204 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.564 123.141 61.438 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.704 121.930 60.885 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.814 120.314 60.525 1.00 0.00 H new ATOM 0 HG3 GLU A 93 54.674 121.525 61.078 1.00 0.00 H new ATOM 1367 N GLN A 94 58.522 119.930 63.593 1.00 0.00 N ATOM 1368 CA GLN A 94 59.252 118.626 63.597 1.00 0.00 C ATOM 1369 C GLN A 94 59.637 118.257 65.031 1.00 0.00 C ATOM 1370 O GLN A 94 59.985 119.124 65.813 1.00 0.00 O ATOM 1371 CB GLN A 94 60.503 118.875 62.755 1.00 0.00 C ATOM 1372 CG GLN A 94 61.295 117.573 62.614 1.00 0.00 C ATOM 1373 CD GLN A 94 60.482 116.563 61.803 1.00 0.00 C ATOM 1374 OE1 GLN A 94 60.216 115.395 62.318 1.00 0.00 O flip ATOM 1375 NE2 GLN A 94 60.083 116.841 60.689 1.00 0.00 N flip ATOM 0 H GLN A 94 58.861 120.620 64.263 1.00 0.00 H new ATOM 0 HA GLN A 94 58.652 117.807 63.201 1.00 0.00 H new ATOM 0 HB2 GLN A 94 60.222 119.250 61.771 1.00 0.00 H new ATOM 0 HB3 GLN A 94 61.122 119.640 63.223 1.00 0.00 H new ATOM 0 HG2 GLN A 94 62.248 117.767 62.122 1.00 0.00 H new ATOM 0 HG3 GLN A 94 61.522 117.165 63.599 1.00 0.00 H new ATOM 0 HE21 GLN A 94 60.291 117.755 60.286 1.00 0.00 H new ATOM 0 HE22 GLN A 94 59.540 116.161 60.157 1.00 0.00 H new ATOM 1384 N GLY A 95 59.589 116.994 65.395 1.00 27.89 N ATOM 1385 CA GLY A 95 59.970 116.634 66.796 1.00 28.05 C ATOM 1386 C GLY A 95 59.920 115.123 67.039 1.00 27.70 C ATOM 1387 O GLY A 95 59.171 114.394 66.419 1.00 25.89 O ATOM 0 H GLY A 95 59.309 116.216 64.797 1.00 27.89 H new ATOM 0 HA2 GLY A 95 60.976 117.000 67.003 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.299 117.135 67.493 1.00 28.05 H new ATOM 1391 N GLN A 96 60.720 114.668 67.970 1.00 0.00 N ATOM 1392 CA GLN A 96 60.757 113.219 68.325 1.00 0.00 C ATOM 1393 C GLN A 96 60.336 113.053 69.789 1.00 0.00 C ATOM 1394 O GLN A 96 60.823 113.749 70.659 1.00 0.00 O ATOM 1395 CB GLN A 96 62.221 112.809 68.144 1.00 0.00 C ATOM 1396 CG GLN A 96 62.377 111.318 68.450 1.00 0.00 C ATOM 1397 CD GLN A 96 63.839 110.910 68.268 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.730 111.548 68.793 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.127 109.865 67.541 1.00 0.00 N ATOM 0 H GLN A 96 61.360 115.252 68.508 1.00 0.00 H new ATOM 0 HA GLN A 96 60.088 112.613 67.714 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.544 113.017 67.124 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.858 113.395 68.806 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.055 111.110 69.470 1.00 0.00 H new ATOM 0 HG3 GLN A 96 61.740 110.732 67.788 1.00 0.00 H new ATOM 0 HE21 GLN A 96 63.380 109.329 67.100 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.099 109.584 67.414 1.00 0.00 H new ATOM 1408 N MET A 97 59.416 112.161 70.062 1.00 0.00 N ATOM 1409 CA MET A 97 58.945 111.984 71.471 1.00 0.00 C ATOM 1410 C MET A 97 59.014 110.516 71.909 1.00 0.00 C ATOM 1411 O MET A 97 58.424 109.647 71.297 1.00 0.00 O ATOM 1412 CB MET A 97 57.491 112.455 71.446 1.00 0.00 C ATOM 1413 CG MET A 97 57.433 113.932 71.050 1.00 0.00 C ATOM 1414 SD MET A 97 55.716 114.407 70.727 1.00 0.00 S ATOM 1415 CE MET A 97 55.147 114.394 72.445 1.00 0.00 C ATOM 0 H MET A 97 58.973 111.551 69.375 1.00 0.00 H new ATOM 0 HA MET A 97 59.564 112.540 72.175 1.00 0.00 H new ATOM 0 HB2 MET A 97 56.917 111.856 70.739 1.00 0.00 H new ATOM 0 HB3 MET A 97 57.036 112.313 72.426 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.848 114.549 71.847 1.00 0.00 H new ATOM 0 HG3 MET A 97 58.042 114.105 70.163 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.063 114.506 72.470 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.426 113.450 72.913 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.609 115.219 72.988 1.00 0.00 H new ATOM 1425 N GLN A 98 59.709 110.239 72.985 1.00 0.00 N ATOM 1426 CA GLN A 98 59.808 108.843 73.507 1.00 0.00 C ATOM 1427 C GLN A 98 59.369 108.849 74.972 1.00 0.00 C ATOM 1428 O GLN A 98 59.494 109.859 75.641 1.00 0.00 O ATOM 1429 CB GLN A 98 61.290 108.483 73.404 1.00 0.00 C ATOM 1430 CG GLN A 98 61.625 108.101 71.964 1.00 0.00 C ATOM 1431 CD GLN A 98 63.112 107.756 71.860 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.672 107.153 72.754 1.00 0.00 O ATOM 1433 NE2 GLN A 98 63.779 108.114 70.797 1.00 0.00 N ATOM 0 H GLN A 98 60.219 110.933 73.531 1.00 0.00 H new ATOM 0 HA GLN A 98 59.186 108.134 72.961 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.903 109.328 73.719 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.521 107.655 74.074 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.021 107.249 71.653 1.00 0.00 H new ATOM 0 HG3 GLN A 98 61.384 108.925 71.293 1.00 0.00 H new ATOM 0 HE21 GLN A 98 63.309 108.620 70.046 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.770 107.888 70.717 1.00 0.00 H new ATOM 1442 N GLY A 99 58.847 107.757 75.484 1.00 29.62 N ATOM 1443 CA GLY A 99 58.406 107.774 76.918 1.00 28.62 C ATOM 1444 C GLY A 99 58.204 106.359 77.450 1.00 28.62 C ATOM 1445 O GLY A 99 58.390 105.386 76.747 1.00 29.22 O ATOM 0 H GLY A 99 58.710 106.877 74.987 1.00 29.62 H new ATOM 0 HA2 GLY A 99 59.151 108.290 77.524 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.476 108.336 77.009 1.00 28.62 H new ATOM 1449 N HIS A 100 57.819 106.247 78.699 1.00 0.00 N ATOM 1450 CA HIS A 100 57.592 104.901 79.299 1.00 0.00 C ATOM 1451 C HIS A 100 56.278 104.893 80.089 1.00 0.00 C ATOM 1452 O HIS A 100 55.772 105.928 80.484 1.00 0.00 O ATOM 1453 CB HIS A 100 58.781 104.665 80.233 1.00 0.00 C ATOM 1454 CG HIS A 100 59.996 104.276 79.436 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.675 105.179 78.631 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.671 103.087 79.315 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.707 104.524 78.069 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.751 103.246 78.452 1.00 0.00 N ATOM 0 H HIS A 100 57.653 107.033 79.327 1.00 0.00 H new ATOM 0 HA HIS A 100 57.516 104.122 78.541 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.987 105.568 80.807 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.540 103.880 80.950 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.404 102.167 79.814 1.00 0.00 H new ATOM 0 HE1 HIS A 100 62.414 104.977 77.390 1.00 0.00 H new ATOM 0 HE2 HIS A 100 62.430 102.538 78.172 1.00 0.00 H new ATOM 1466 N TYR A 101 55.725 103.730 80.316 1.00 25.77 N ATOM 1467 CA TYR A 101 54.442 103.632 81.076 1.00 25.79 C ATOM 1468 C TYR A 101 54.663 102.856 82.376 1.00 26.52 C ATOM 1469 O TYR A 101 55.150 101.742 82.354 1.00 27.05 O ATOM 1470 CB TYR A 101 53.487 102.858 80.160 1.00 24.67 C ATOM 1471 CG TYR A 101 52.887 103.768 79.106 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.403 105.042 79.446 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.811 103.327 77.779 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.846 105.866 78.460 1.00 23.58 C ATOM 1475 CE2 TYR A 101 52.256 104.152 76.795 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.773 105.421 77.135 1.00 23.58 C ATOM 1477 OH TYR A 101 51.225 106.231 76.162 1.00 25.91 O ATOM 0 H TYR A 101 56.109 102.838 80.006 1.00 25.77 H new ATOM 0 HA TYR A 101 54.048 104.613 81.342 1.00 25.79 H new ATOM 0 HB2 TYR A 101 54.023 102.041 79.677 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.691 102.410 80.754 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.460 105.386 80.468 1.00 20.31 H new ATOM 0 HD2 TYR A 101 53.182 102.348 77.515 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.473 106.845 78.722 1.00 23.58 H new ATOM 0 HE2 TYR A 101 52.200 103.810 75.772 1.00 24.17 H new ATOM 0 HH TYR A 101 51.738 107.064 76.103 1.00 25.91 H new ATOM 1487 N ASP A 102 54.275 103.402 83.502 1.00 0.00 N ATOM 1488 CA ASP A 102 54.433 102.652 84.785 1.00 0.00 C ATOM 1489 C ASP A 102 53.212 101.752 84.984 1.00 0.00 C ATOM 1490 O ASP A 102 52.089 102.208 85.075 1.00 0.00 O ATOM 1491 CB ASP A 102 54.535 103.711 85.884 1.00 0.00 C ATOM 1492 CG ASP A 102 54.944 103.047 87.201 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.560 101.908 87.415 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.632 103.691 87.975 1.00 0.00 O ATOM 0 H ASP A 102 53.858 104.329 83.588 1.00 0.00 H new ATOM 0 HA ASP A 102 55.316 102.013 84.795 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.266 104.470 85.605 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.578 104.219 86.003 1.00 0.00 H new ATOM 1499 N MET A 103 53.446 100.468 85.038 1.00 0.00 N ATOM 1500 CA MET A 103 52.334 99.490 85.213 1.00 0.00 C ATOM 1501 C MET A 103 52.598 98.598 86.428 1.00 0.00 C ATOM 1502 O MET A 103 53.719 98.480 86.890 1.00 0.00 O ATOM 1503 CB MET A 103 52.361 98.657 83.932 1.00 0.00 C ATOM 1504 CG MET A 103 50.967 98.099 83.648 1.00 0.00 C ATOM 1505 SD MET A 103 49.946 99.382 82.880 1.00 0.00 S ATOM 1506 CE MET A 103 50.915 99.566 81.363 1.00 0.00 C ATOM 0 H MET A 103 54.374 100.050 84.967 1.00 0.00 H new ATOM 0 HA MET A 103 51.372 99.975 85.379 1.00 0.00 H new ATOM 0 HB2 MET A 103 52.694 99.271 83.095 1.00 0.00 H new ATOM 0 HB3 MET A 103 53.076 97.840 84.033 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.038 97.233 82.989 1.00 0.00 H new ATOM 0 HG3 MET A 103 50.505 97.758 84.574 1.00 0.00 H new ATOM 0 HE1 MET A 103 50.243 99.636 80.508 1.00 0.00 H new ATOM 0 HE2 MET A 103 51.519 100.471 81.425 1.00 0.00 H new ATOM 0 HE3 MET A 103 51.568 98.702 81.241 1.00 0.00 H new ATOM 1516 N VAL A 104 51.574 97.967 86.943 1.00 21.01 N ATOM 1517 CA VAL A 104 51.758 97.075 88.132 1.00 21.69 C ATOM 1518 C VAL A 104 50.889 95.821 87.996 1.00 22.60 C ATOM 1519 O VAL A 104 49.708 95.903 87.716 1.00 22.32 O ATOM 1520 CB VAL A 104 51.317 97.896 89.357 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.375 98.954 89.670 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.966 98.579 89.099 1.00 23.28 C ATOM 0 H VAL A 104 50.618 98.030 86.593 1.00 21.01 H new ATOM 0 HA VAL A 104 52.793 96.746 88.224 1.00 21.69 H new ATOM 0 HB VAL A 104 51.206 97.221 90.206 1.00 22.67 H new ATOM 0 HG11 VAL A 104 52.063 99.535 90.537 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.326 98.466 89.884 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.492 99.616 88.812 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.675 99.153 89.978 1.00 23.28 H new ATOM 0 HG22 VAL A 104 50.054 99.247 88.242 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.209 97.822 88.893 1.00 23.28 H new ATOM 1532 N ALA A 105 51.461 94.665 88.206 1.00 0.00 N ATOM 1533 CA ALA A 105 50.668 93.401 88.107 1.00 0.00 C ATOM 1534 C ALA A 105 49.742 93.280 89.318 1.00 0.00 C ATOM 1535 O ALA A 105 49.884 94.001 90.288 1.00 0.00 O ATOM 1536 CB ALA A 105 51.704 92.276 88.112 1.00 0.00 C ATOM 0 H ALA A 105 52.445 94.540 88.442 1.00 0.00 H new ATOM 0 HA ALA A 105 50.044 93.369 87.214 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.197 91.314 88.042 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.375 92.395 87.261 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.280 92.316 89.037 1.00 0.00 H new ATOM 1542 N ASP A 106 48.793 92.378 89.268 1.00 0.00 N ATOM 1543 CA ASP A 106 47.854 92.221 90.422 1.00 0.00 C ATOM 1544 C ASP A 106 48.621 91.745 91.658 1.00 0.00 C ATOM 1545 O ASP A 106 48.245 92.033 92.779 1.00 0.00 O ATOM 1546 CB ASP A 106 46.841 91.163 89.978 1.00 0.00 C ATOM 1547 CG ASP A 106 45.688 91.101 90.984 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.938 91.318 92.158 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.575 90.836 90.561 1.00 0.00 O ATOM 0 H ASP A 106 48.628 91.747 88.483 1.00 0.00 H new ATOM 0 HA ASP A 106 47.366 93.159 90.687 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.459 91.405 88.986 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.326 90.189 89.905 1.00 0.00 H new ATOM 1554 N ASP A 107 49.689 91.013 91.461 1.00 0.00 N ATOM 1555 CA ASP A 107 50.483 90.508 92.623 1.00 0.00 C ATOM 1556 C ASP A 107 51.294 91.639 93.270 1.00 0.00 C ATOM 1557 O ASP A 107 51.842 91.472 94.345 1.00 0.00 O ATOM 1558 CB ASP A 107 51.420 89.449 92.037 1.00 0.00 C ATOM 1559 CG ASP A 107 50.610 88.220 91.618 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.612 87.939 92.264 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.999 87.579 90.655 1.00 0.00 O ATOM 0 H ASP A 107 50.046 90.743 90.544 1.00 0.00 H new ATOM 0 HA ASP A 107 49.839 90.103 93.404 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.953 89.856 91.177 1.00 0.00 H new ATOM 0 HB3 ASP A 107 52.172 89.167 92.774 1.00 0.00 H new ATOM 1566 N GLY A 108 51.380 92.783 92.634 1.00 30.43 N ATOM 1567 CA GLY A 108 52.158 93.912 93.224 1.00 29.11 C ATOM 1568 C GLY A 108 53.504 94.069 92.503 1.00 29.35 C ATOM 1569 O GLY A 108 54.229 95.016 92.746 1.00 30.17 O ATOM 0 H GLY A 108 50.945 92.981 91.733 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.586 94.837 93.145 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.326 93.731 94.286 1.00 29.11 H new ATOM 1573 N THR A 109 53.852 93.157 91.619 1.00 0.00 N ATOM 1574 CA THR A 109 55.161 93.274 90.894 1.00 0.00 C ATOM 1575 C THR A 109 55.229 94.609 90.144 1.00 0.00 C ATOM 1576 O THR A 109 54.274 95.012 89.505 1.00 0.00 O ATOM 1577 CB THR A 109 55.180 92.105 89.906 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.876 90.900 90.594 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.566 91.997 89.269 1.00 0.00 C ATOM 0 H THR A 109 53.290 92.343 91.371 1.00 0.00 H new ATOM 0 HA THR A 109 56.012 93.243 91.574 1.00 0.00 H new ATOM 0 HB THR A 109 54.437 92.275 89.127 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.636 90.205 89.946 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.579 91.164 88.566 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.797 92.922 88.741 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.311 91.827 90.046 1.00 0.00 H new ATOM 1587 N GLU A 110 56.340 95.299 90.221 1.00 0.00 N ATOM 1588 CA GLU A 110 56.451 96.611 89.515 1.00 0.00 C ATOM 1589 C GLU A 110 57.238 96.458 88.208 1.00 0.00 C ATOM 1590 O GLU A 110 58.229 95.757 88.145 1.00 0.00 O ATOM 1591 CB GLU A 110 57.191 97.528 90.491 1.00 0.00 C ATOM 1592 CG GLU A 110 57.313 98.932 89.888 1.00 0.00 C ATOM 1593 CD GLU A 110 58.055 99.861 90.859 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.101 99.549 92.040 1.00 0.00 O ATOM 1595 OE2 GLU A 110 58.561 100.873 90.404 1.00 0.00 O ATOM 0 H GLU A 110 57.170 95.012 90.739 1.00 0.00 H new ATOM 0 HA GLU A 110 55.475 97.012 89.242 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.655 97.574 91.439 1.00 0.00 H new ATOM 0 HB3 GLU A 110 58.181 97.126 90.704 1.00 0.00 H new ATOM 0 HG2 GLU A 110 57.847 98.883 88.939 1.00 0.00 H new ATOM 0 HG3 GLU A 110 56.322 99.332 89.676 1.00 0.00 H new ATOM 1602 N PHE A 111 56.797 97.122 87.170 1.00 27.41 N ATOM 1603 CA PHE A 111 57.505 97.041 85.857 1.00 27.50 C ATOM 1604 C PHE A 111 57.013 98.160 84.928 1.00 28.03 C ATOM 1605 O PHE A 111 55.860 98.545 84.958 1.00 27.72 O ATOM 1606 CB PHE A 111 57.183 95.641 85.301 1.00 26.12 C ATOM 1607 CG PHE A 111 55.724 95.537 84.902 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.760 95.185 85.852 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.345 95.793 83.578 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.414 95.087 85.478 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.999 95.694 83.206 1.00 24.17 C ATOM 1612 CZ PHE A 111 53.033 95.341 84.156 1.00 23.73 C ATOM 0 H PHE A 111 55.971 97.721 87.176 1.00 27.41 H new ATOM 0 HA PHE A 111 58.583 97.176 85.951 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.815 95.434 84.438 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.413 94.886 86.052 1.00 26.12 H new ATOM 0 HD1 PHE A 111 55.053 94.989 86.873 1.00 23.96 H new ATOM 0 HD2 PHE A 111 56.090 96.066 82.845 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.669 94.815 86.211 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.706 95.890 82.185 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.995 95.265 83.869 1.00 23.73 H new ATOM 1622 N ILE A 112 57.894 98.689 84.118 1.00 0.00 N ATOM 1623 CA ILE A 112 57.506 99.798 83.193 1.00 0.00 C ATOM 1624 C ILE A 112 57.306 99.282 81.764 1.00 0.00 C ATOM 1625 O ILE A 112 57.834 98.254 81.383 1.00 0.00 O ATOM 1626 CB ILE A 112 58.667 100.799 83.248 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.971 100.120 82.807 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.828 101.318 84.677 1.00 0.00 C ATOM 1629 CD1 ILE A 112 61.001 101.188 82.435 1.00 0.00 C ATOM 0 H ILE A 112 58.870 98.400 84.057 1.00 0.00 H new ATOM 0 HA ILE A 112 56.561 100.252 83.490 1.00 0.00 H new ATOM 0 HB ILE A 112 58.449 101.629 82.576 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.356 99.492 83.610 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.784 99.468 81.954 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.653 102.029 84.715 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.908 101.812 84.990 1.00 0.00 H new ATOM 0 HG23 ILE A 112 59.037 100.483 85.346 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.927 100.707 82.122 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.614 101.797 81.618 1.00 0.00 H new ATOM 0 HD13 ILE A 112 61.196 101.822 83.300 1.00 0.00 H new ATOM 1641 N ALA A 113 56.563 100.009 80.971 1.00 0.00 N ATOM 1642 CA ALA A 113 56.332 99.604 79.555 1.00 0.00 C ATOM 1643 C ALA A 113 56.861 100.711 78.631 1.00 0.00 C ATOM 1644 O ALA A 113 56.189 101.699 78.407 1.00 0.00 O ATOM 1645 CB ALA A 113 54.816 99.456 79.419 1.00 0.00 C ATOM 0 H ALA A 113 56.102 100.875 81.249 1.00 0.00 H new ATOM 0 HA ALA A 113 56.841 98.678 79.287 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.569 99.159 78.400 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.461 98.696 80.115 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.336 100.408 79.645 1.00 0.00 H new ATOM 1651 N PRO A 114 58.065 100.518 78.140 1.00 31.26 N ATOM 1652 CA PRO A 114 58.663 101.559 77.253 1.00 32.26 C ATOM 1653 C PRO A 114 57.798 101.834 76.021 1.00 31.77 C ATOM 1654 O PRO A 114 57.187 100.956 75.446 1.00 33.24 O ATOM 1655 CB PRO A 114 60.011 100.976 76.843 1.00 32.64 C ATOM 1656 CG PRO A 114 59.845 99.503 76.977 1.00 33.31 C ATOM 1657 CD PRO A 114 58.876 99.283 78.105 1.00 32.61 C ATOM 0 HA PRO A 114 58.750 102.518 77.764 1.00 32.26 H new ATOM 0 HB2 PRO A 114 60.268 101.254 75.821 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.812 101.344 77.484 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.467 99.069 76.051 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.801 99.023 77.187 1.00 33.31 H new ATOM 0 HD2 PRO A 114 58.255 98.405 77.929 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.396 99.122 79.050 1.00 32.61 H new ATOM 1665 N ILE A 115 57.771 103.079 75.622 1.00 30.59 N ATOM 1666 CA ILE A 115 56.981 103.498 74.427 1.00 30.04 C ATOM 1667 C ILE A 115 57.944 103.845 73.292 1.00 30.45 C ATOM 1668 O ILE A 115 58.804 104.701 73.436 1.00 30.15 O ATOM 1669 CB ILE A 115 56.202 104.743 74.864 1.00 29.44 C ATOM 1670 CG1 ILE A 115 55.342 104.418 76.091 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.296 105.202 73.721 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.809 105.717 76.697 1.00 28.50 C ATOM 0 H ILE A 115 58.273 103.837 76.084 1.00 30.59 H new ATOM 0 HA ILE A 115 56.310 102.716 74.073 1.00 30.04 H new ATOM 0 HB ILE A 115 56.907 105.535 75.118 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.513 103.770 75.806 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.932 103.875 76.829 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.741 106.088 74.030 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.904 105.441 72.848 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.596 104.405 73.469 1.00 25.80 H new ATOM 0 HD11 ILE A 115 54.197 105.487 77.569 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.645 106.349 76.996 1.00 28.50 H new ATOM 0 HD13 ILE A 115 54.204 106.242 75.958 1.00 28.50 H new ATOM 1684 N ALA A 116 57.803 103.182 72.169 1.00 30.78 N ATOM 1685 CA ALA A 116 58.706 103.440 70.998 1.00 29.78 C ATOM 1686 C ALA A 116 58.807 104.934 70.689 1.00 29.57 C ATOM 1687 O ALA A 116 58.112 105.747 71.269 1.00 28.51 O ATOM 1688 CB ALA A 116 58.055 102.703 69.825 1.00 27.76 C ATOM 0 H ALA A 116 57.094 102.466 72.011 1.00 30.78 H new ATOM 0 HA ALA A 116 59.722 103.098 71.197 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.658 102.843 68.928 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.989 101.640 70.055 1.00 27.76 H new ATOM 0 HB3 ALA A 116 57.054 103.100 69.656 1.00 27.76 H new ATOM 1694 N ALA A 117 59.677 105.299 69.782 1.00 0.00 N ATOM 1695 CA ALA A 117 59.844 106.737 69.430 1.00 0.00 C ATOM 1696 C ALA A 117 59.100 107.068 68.135 1.00 0.00 C ATOM 1697 O ALA A 117 59.397 106.533 67.084 1.00 0.00 O ATOM 1698 CB ALA A 117 61.349 106.920 69.232 1.00 0.00 C ATOM 0 H ALA A 117 60.281 104.657 69.269 1.00 0.00 H new ATOM 0 HA ALA A 117 59.441 107.393 70.202 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.558 107.957 68.969 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.871 106.668 70.155 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.693 106.266 68.431 1.00 0.00 H new ATOM 1704 N PHE A 118 58.162 107.974 68.204 1.00 29.64 N ATOM 1705 CA PHE A 118 57.418 108.385 66.977 1.00 29.08 C ATOM 1706 C PHE A 118 57.798 109.828 66.648 1.00 30.66 C ATOM 1707 O PHE A 118 58.225 110.567 67.518 1.00 30.55 O ATOM 1708 CB PHE A 118 55.922 108.250 67.307 1.00 25.73 C ATOM 1709 CG PHE A 118 55.570 109.030 68.555 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.188 110.372 68.459 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.610 108.402 69.806 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.851 111.089 69.612 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.272 109.118 70.961 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.892 110.461 70.863 1.00 21.66 C ATOM 0 H PHE A 118 57.878 108.449 69.060 1.00 29.64 H new ATOM 0 HA PHE A 118 57.657 107.771 66.109 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.327 108.611 66.468 1.00 25.73 H new ATOM 0 HB3 PHE A 118 55.670 107.199 67.448 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.153 110.855 67.494 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.902 107.365 69.880 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.559 112.126 69.537 1.00 21.08 H new ATOM 0 HE2 PHE A 118 55.305 108.634 71.926 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.630 111.014 71.753 1.00 21.66 H new ATOM 1724 N VAL A 119 57.668 110.240 65.413 1.00 0.00 N ATOM 1725 CA VAL A 119 58.049 111.640 65.054 1.00 0.00 C ATOM 1726 C VAL A 119 56.833 112.427 64.562 1.00 0.00 C ATOM 1727 O VAL A 119 55.885 111.874 64.039 1.00 0.00 O ATOM 1728 CB VAL A 119 59.094 111.499 63.940 1.00 0.00 C ATOM 1729 CG1 VAL A 119 59.574 112.884 63.501 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.290 110.693 64.457 1.00 0.00 C ATOM 0 H VAL A 119 57.317 109.672 64.642 1.00 0.00 H new ATOM 0 HA VAL A 119 58.441 112.186 65.912 1.00 0.00 H new ATOM 0 HB VAL A 119 58.643 110.985 63.092 1.00 0.00 H new ATOM 0 HG11 VAL A 119 60.316 112.778 62.710 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.728 113.462 63.130 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.021 113.400 64.351 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.032 110.594 63.664 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.735 111.208 65.308 1.00 0.00 H new ATOM 0 HG23 VAL A 119 59.955 109.703 64.767 1.00 0.00 H new ATOM 1740 N LEU A 120 56.871 113.724 64.723 1.00 36.62 N ATOM 1741 CA LEU A 120 55.743 114.584 64.268 1.00 37.66 C ATOM 1742 C LEU A 120 56.228 115.489 63.134 1.00 38.64 C ATOM 1743 O LEU A 120 57.252 116.136 63.247 1.00 37.83 O ATOM 1744 CB LEU A 120 55.336 115.425 65.485 1.00 38.14 C ATOM 1745 CG LEU A 120 54.590 114.563 66.515 1.00 37.94 C ATOM 1746 CD1 LEU A 120 55.550 113.567 67.172 1.00 39.15 C ATOM 1747 CD2 LEU A 120 53.984 115.469 67.591 1.00 37.30 C ATOM 0 H LEU A 120 57.645 114.228 65.156 1.00 36.62 H new ATOM 0 HA LEU A 120 54.902 113.999 63.896 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.223 115.863 65.944 1.00 38.14 H new ATOM 0 HB3 LEU A 120 54.701 116.251 65.166 1.00 38.14 H new ATOM 0 HG LEU A 120 53.800 114.010 66.007 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.007 112.964 67.899 1.00 39.15 H new ATOM 0 HD12 LEU A 120 55.978 112.917 66.409 1.00 39.15 H new ATOM 0 HD13 LEU A 120 56.349 114.110 67.676 1.00 39.15 H new ATOM 0 HD21 LEU A 120 53.454 114.860 68.323 1.00 37.30 H new ATOM 0 HD22 LEU A 120 54.779 116.025 68.088 1.00 37.30 H new ATOM 0 HD23 LEU A 120 53.287 116.168 67.128 1.00 37.30 H new ATOM 1759 N SER A 121 55.506 115.533 62.044 1.00 0.00 N ATOM 1760 CA SER A 121 55.921 116.391 60.895 1.00 0.00 C ATOM 1761 C SER A 121 54.699 116.778 60.057 1.00 0.00 C ATOM 1762 O SER A 121 54.055 115.940 59.458 1.00 0.00 O ATOM 1763 CB SER A 121 56.878 115.524 60.078 1.00 0.00 C ATOM 1764 OG SER A 121 57.929 115.065 60.918 1.00 0.00 O ATOM 0 H SER A 121 54.643 115.009 61.900 1.00 0.00 H new ATOM 0 HA SER A 121 56.390 117.319 61.221 1.00 0.00 H new ATOM 0 HB2 SER A 121 56.343 114.677 59.649 1.00 0.00 H new ATOM 0 HB3 SER A 121 57.286 116.098 59.246 1.00 0.00 H new ATOM 0 HG SER A 121 57.983 115.633 61.715 1.00 0.00 H new TER 1770 SER A 121