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 33 TYR OH : rot 108:sc= 1.16 USER MOD Set 1.2: A 86 SER OG : rot -113:sc= 2.29 USER MOD Set 2.1: A 84 TYR OH : rot 180:sc= -0.12 USER MOD Set 2.2: A 101 TYR OH : rot 61:sc= -0.0304 USER MOD Set 3.1: A 55 THR OG1 : rot -43:sc= 0.145 USER MOD Set 3.2: A 61 THR OG1 : rot 21:sc= 1.29 USER MOD Set 4.1: A 7 TYR OH : rot 165:sc= 0.665 USER MOD Set 4.2: A 109 THR OG1 : rot 167:sc= 0.769 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=-0.032) USER MOD Single : A 21 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 22 SER OG : rot -87:sc= 1.2 USER MOD Single : A 23 THR OG1 : rot 23:sc= 1.17 USER MOD Single : A 29 TYR OH : rot -92:sc= 0.471 USER MOD Single : A 34 SER OG : rot 140:sc= -1.01 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 39 ASN : amide:sc= 0.052 K(o=0.052,f=-7.4!) USER MOD Single : A 51 HIS : no HE2:sc= -0.4 X(o=-0.4,f=-0.86) USER MOD Single : A 53 GLN : amide:sc= -0.0511 K(o=-0.051,f=-1.8!) USER MOD Single : A 58 ASN : amide:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-1.5) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 154:sc= 0.318 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 96 GLN : amide:sc= -0.0794 X(o=-0.079,f=-0.4) USER MOD Single : A 97 MET CE :methyl -152:sc= -2.22! (180deg=-2.86!) USER MOD Single : A 98 GLN :FLIP amide:sc= -1.22! C(o=-2!,f=-1.2!) USER MOD Single : A 100 HIS : no HD1:sc= -4.58 K(o=-4.6,f=-5.1!) USER MOD Single : A 103 MET CE :methyl 155:sc= 0 (180deg=-0.417) USER MOD Single : A 121 SER OG : rot 21:sc= 0.711 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.456 86.643 81.758 1.00 0.00 N ATOM 2 CA ARG A 6 54.177 86.952 82.459 1.00 0.00 C ATOM 3 C ARG A 6 53.870 88.454 82.390 1.00 0.00 C ATOM 4 O ARG A 6 52.739 88.868 82.583 1.00 0.00 O ATOM 5 CB ARG A 6 54.401 86.515 83.908 1.00 0.00 C ATOM 6 CG ARG A 6 54.475 84.988 83.977 1.00 0.00 C ATOM 7 CD ARG A 6 54.700 84.553 85.427 1.00 0.00 C ATOM 8 NE ARG A 6 54.756 83.063 85.385 1.00 0.00 N ATOM 9 CZ ARG A 6 54.707 82.378 86.495 1.00 0.00 C ATOM 10 NH1 ARG A 6 53.556 82.114 87.049 1.00 0.00 N ATOM 11 NH2 ARG A 6 55.811 81.957 87.051 1.00 0.00 N ATOM 0 HA ARG A 6 53.329 86.440 82.004 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.323 86.952 84.292 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.589 86.879 84.538 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.553 84.551 83.594 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.286 84.624 83.347 1.00 0.00 H new ATOM 0 HD2 ARG A 6 55.625 84.971 85.824 1.00 0.00 H new ATOM 0 HD3 ARG A 6 53.892 84.899 86.072 1.00 0.00 H new ATOM 0 HE ARG A 6 54.832 82.580 84.490 1.00 0.00 H new ATOM 0 HH11 ARG A 6 52.694 82.443 86.615 1.00 0.00 H new ATOM 0 HH12 ARG A 6 53.518 81.579 87.916 1.00 0.00 H new ATOM 0 HH21 ARG A 6 56.711 82.164 86.618 1.00 0.00 H new ATOM 0 HH22 ARG A 6 55.773 81.422 87.918 1.00 0.00 H new ATOM 25 N TYR A 7 54.863 89.271 82.119 1.00 31.93 N ATOM 26 CA TYR A 7 54.624 90.745 82.040 1.00 29.59 C ATOM 27 C TYR A 7 54.956 91.264 80.636 1.00 29.68 C ATOM 28 O TYR A 7 56.108 91.394 80.266 1.00 30.50 O ATOM 29 CB TYR A 7 55.569 91.359 83.075 1.00 27.35 C ATOM 30 CG TYR A 7 55.219 90.844 84.451 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.921 91.003 84.949 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.194 90.207 85.228 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.597 90.525 86.224 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.871 89.729 86.503 1.00 22.47 C ATOM 35 CZ TYR A 7 54.572 89.888 87.002 1.00 22.87 C ATOM 36 OH TYR A 7 54.253 89.417 88.258 1.00 25.71 O ATOM 0 H TYR A 7 55.826 88.979 81.950 1.00 31.93 H new ATOM 0 HA TYR A 7 53.583 91.003 82.235 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.602 91.107 82.834 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.492 92.446 83.052 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.169 91.495 84.349 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.196 90.084 84.843 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.595 90.647 86.608 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.623 89.238 87.102 1.00 22.47 H new ATOM 0 HH TYR A 7 54.952 88.801 88.564 1.00 25.71 H new ATOM 46 N ARG A 8 53.949 91.562 79.858 1.00 0.00 N ATOM 47 CA ARG A 8 54.175 92.079 78.474 1.00 0.00 C ATOM 48 C ARG A 8 53.064 93.062 78.099 1.00 0.00 C ATOM 49 O ARG A 8 51.893 92.799 78.296 1.00 0.00 O ATOM 50 CB ARG A 8 54.129 90.845 77.571 1.00 0.00 C ATOM 51 CG ARG A 8 55.431 90.053 77.720 1.00 0.00 C ATOM 52 CD ARG A 8 55.384 88.818 76.818 1.00 0.00 C ATOM 53 NE ARG A 8 56.686 88.130 77.040 1.00 0.00 N ATOM 54 CZ ARG A 8 56.824 87.304 78.040 1.00 0.00 C ATOM 55 NH1 ARG A 8 56.096 86.222 78.099 1.00 0.00 N ATOM 56 NH2 ARG A 8 57.691 87.558 78.982 1.00 0.00 N ATOM 0 H ARG A 8 52.969 91.469 80.124 1.00 0.00 H new ATOM 0 HA ARG A 8 55.122 92.611 78.379 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.278 90.218 77.837 1.00 0.00 H new ATOM 0 HB3 ARG A 8 53.991 91.146 76.533 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.282 90.679 77.453 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.569 89.753 78.759 1.00 0.00 H new ATOM 0 HD2 ARG A 8 54.546 88.171 77.078 1.00 0.00 H new ATOM 0 HD3 ARG A 8 55.258 89.098 75.772 1.00 0.00 H new ATOM 0 HE ARG A 8 57.469 88.305 76.410 1.00 0.00 H new ATOM 0 HH11 ARG A 8 55.419 86.022 77.363 1.00 0.00 H new ATOM 0 HH12 ARG A 8 56.204 85.576 78.881 1.00 0.00 H new ATOM 0 HH21 ARG A 8 58.261 88.403 78.936 1.00 0.00 H new ATOM 0 HH22 ARG A 8 57.799 86.912 79.764 1.00 0.00 H new ATOM 70 N VAL A 9 53.429 94.200 77.564 1.00 0.00 N ATOM 71 CA VAL A 9 52.415 95.226 77.171 1.00 0.00 C ATOM 72 C VAL A 9 52.954 96.076 76.012 1.00 0.00 C ATOM 73 O VAL A 9 53.912 96.810 76.154 1.00 0.00 O ATOM 74 CB VAL A 9 52.200 96.090 78.422 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.193 97.204 78.118 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.656 95.224 79.561 1.00 0.00 C ATOM 0 H VAL A 9 54.397 94.465 77.381 1.00 0.00 H new ATOM 0 HA VAL A 9 51.482 94.775 76.833 1.00 0.00 H new ATOM 0 HB VAL A 9 53.154 96.529 78.716 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.045 97.814 79.009 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.574 97.829 77.310 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.242 96.763 77.818 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.505 95.841 80.447 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.706 94.782 79.260 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.369 94.432 79.788 1.00 0.00 H new ATOM 86 N GLU A 10 52.319 95.990 74.874 1.00 0.00 N ATOM 87 CA GLU A 10 52.733 96.789 73.684 1.00 0.00 C ATOM 88 C GLU A 10 51.742 97.934 73.457 1.00 0.00 C ATOM 89 O GLU A 10 50.544 97.734 73.397 1.00 0.00 O ATOM 90 CB GLU A 10 52.679 95.801 72.516 1.00 0.00 C ATOM 91 CG GLU A 10 53.137 96.499 71.230 1.00 0.00 C ATOM 92 CD GLU A 10 53.086 95.518 70.051 1.00 0.00 C ATOM 93 OE1 GLU A 10 53.082 94.320 70.292 1.00 0.00 O ATOM 94 OE2 GLU A 10 53.054 95.984 68.924 1.00 0.00 O ATOM 0 H GLU A 10 51.513 95.386 74.716 1.00 0.00 H new ATOM 0 HA GLU A 10 53.721 97.235 73.801 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.318 94.942 72.723 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.664 95.421 72.394 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.498 97.358 71.026 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.151 96.878 71.354 1.00 0.00 H new ATOM 101 N VAL A 11 52.247 99.135 73.332 1.00 26.88 N ATOM 102 CA VAL A 11 51.360 100.316 73.110 1.00 26.83 C ATOM 103 C VAL A 11 51.707 100.982 71.773 1.00 27.58 C ATOM 104 O VAL A 11 52.865 101.129 71.430 1.00 28.21 O ATOM 105 CB VAL A 11 51.650 101.263 74.279 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.778 102.516 74.155 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.335 100.557 75.602 1.00 25.75 C ATOM 0 H VAL A 11 53.243 99.349 73.375 1.00 26.88 H new ATOM 0 HA VAL A 11 50.306 100.043 73.068 1.00 26.83 H new ATOM 0 HB VAL A 11 52.702 101.547 74.258 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.986 103.188 74.988 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.000 103.022 73.216 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.726 102.231 74.173 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.542 101.232 76.433 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.283 100.271 75.620 1.00 25.75 H new ATOM 0 HG23 VAL A 11 51.955 99.666 75.696 1.00 25.75 H new ATOM 117 N GLU A 12 50.717 101.387 71.018 1.00 0.00 N ATOM 118 CA GLU A 12 50.987 102.046 69.703 1.00 0.00 C ATOM 119 C GLU A 12 50.325 103.427 69.659 1.00 0.00 C ATOM 120 O GLU A 12 49.196 103.598 70.079 1.00 0.00 O ATOM 121 CB GLU A 12 50.355 101.119 68.664 1.00 0.00 C ATOM 122 CG GLU A 12 51.164 99.824 68.574 1.00 0.00 C ATOM 123 CD GLU A 12 50.533 98.897 67.534 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.557 98.245 67.867 1.00 0.00 O ATOM 125 OE2 GLU A 12 51.035 98.856 66.423 1.00 0.00 O ATOM 0 H GLU A 12 49.730 101.289 71.256 1.00 0.00 H new ATOM 0 HA GLU A 12 52.052 102.197 69.525 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.324 100.897 68.939 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.327 101.611 67.692 1.00 0.00 H new ATOM 0 HG2 GLU A 12 52.195 100.046 68.300 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.191 99.332 69.546 1.00 0.00 H new ATOM 132 N VAL A 13 51.026 104.412 69.157 1.00 26.55 N ATOM 133 CA VAL A 13 50.451 105.791 69.082 1.00 26.45 C ATOM 134 C VAL A 13 50.619 106.358 67.667 1.00 27.95 C ATOM 135 O VAL A 13 51.656 106.215 67.049 1.00 27.94 O ATOM 136 CB VAL A 13 51.247 106.618 70.098 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.717 108.053 70.124 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.099 106.000 71.492 1.00 26.97 C ATOM 0 H VAL A 13 51.975 104.321 68.794 1.00 26.55 H new ATOM 0 HA VAL A 13 49.384 105.804 69.303 1.00 26.45 H new ATOM 0 HB VAL A 13 52.298 106.623 69.810 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.285 108.638 70.847 1.00 24.91 H new ATOM 0 HG12 VAL A 13 50.823 108.498 69.135 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.665 108.047 70.409 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.666 106.589 72.213 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.047 105.992 71.777 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.479 104.979 71.479 1.00 26.97 H new ATOM 148 N SER A 14 49.594 106.998 67.155 1.00 0.00 N ATOM 149 CA SER A 14 49.674 107.576 65.779 1.00 0.00 C ATOM 150 C SER A 14 49.323 109.074 65.792 1.00 0.00 C ATOM 151 O SER A 14 48.167 109.435 65.911 1.00 0.00 O ATOM 152 CB SER A 14 48.649 106.792 64.961 1.00 0.00 C ATOM 153 OG SER A 14 48.650 107.272 63.622 1.00 0.00 O ATOM 0 H SER A 14 48.705 107.144 67.633 1.00 0.00 H new ATOM 0 HA SER A 14 50.679 107.498 65.364 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.889 105.729 64.979 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.657 106.902 65.398 1.00 0.00 H new ATOM 0 HG SER A 14 47.994 106.770 63.094 1.00 0.00 H new ATOM 159 N PRO A 15 50.337 109.900 65.660 1.00 28.75 N ATOM 160 CA PRO A 15 50.083 111.371 65.649 1.00 30.20 C ATOM 161 C PRO A 15 49.662 111.843 64.251 1.00 33.00 C ATOM 162 O PRO A 15 49.812 111.141 63.269 1.00 32.76 O ATOM 163 CB PRO A 15 51.420 111.986 66.043 1.00 29.34 C ATOM 164 CG PRO A 15 52.439 110.972 65.652 1.00 29.59 C ATOM 165 CD PRO A 15 51.783 109.623 65.769 1.00 28.91 C ATOM 0 HA PRO A 15 49.275 111.657 66.323 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.587 112.932 65.528 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.459 112.194 67.112 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.785 111.146 64.633 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.313 111.034 66.300 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.118 108.950 64.980 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.025 109.146 66.719 1.00 28.91 H new ATOM 173 N ARG A 16 49.125 113.036 64.171 1.00 34.77 N ATOM 174 CA ARG A 16 48.671 113.592 62.858 1.00 37.64 C ATOM 175 C ARG A 16 48.607 115.124 62.932 1.00 38.99 C ATOM 176 O ARG A 16 48.077 115.697 63.866 1.00 38.96 O ATOM 177 CB ARG A 16 47.279 112.997 62.616 1.00 40.22 C ATOM 178 CG ARG A 16 46.342 113.363 63.771 1.00 43.41 C ATOM 179 CD ARG A 16 45.006 112.637 63.594 1.00 47.90 C ATOM 180 NE ARG A 16 44.246 112.923 64.841 1.00 51.85 N ATOM 181 CZ ARG A 16 44.005 111.962 65.692 1.00 53.88 C ATOM 182 NH1 ARG A 16 43.094 111.067 65.426 1.00 54.10 N ATOM 183 NH2 ARG A 16 44.675 111.899 66.811 1.00 53.27 N ATOM 0 H ARG A 16 48.980 113.655 64.969 1.00 34.77 H new ATOM 0 HA ARG A 16 49.354 113.340 62.047 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.873 113.371 61.676 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.349 111.913 62.524 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.795 113.086 64.723 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.182 114.441 63.796 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.473 112.999 62.715 1.00 47.90 H new ATOM 0 HD3 ARG A 16 45.154 111.566 63.458 1.00 47.90 H new ATOM 0 HE ARG A 16 43.914 113.868 65.031 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.569 111.117 64.553 1.00 54.10 H new ATOM 0 HH12 ARG A 16 42.906 110.317 66.091 1.00 54.10 H new ATOM 0 HH21 ARG A 16 45.386 112.600 67.020 1.00 53.27 H new ATOM 0 HH22 ARG A 16 44.487 111.149 67.476 1.00 53.27 H new ATOM 197 N PHE A 17 49.168 115.782 61.950 1.00 0.00 N ATOM 198 CA PHE A 17 49.182 117.281 61.932 1.00 0.00 C ATOM 199 C PHE A 17 47.759 117.860 61.933 1.00 0.00 C ATOM 200 O PHE A 17 46.874 117.361 61.266 1.00 0.00 O ATOM 201 CB PHE A 17 49.898 117.647 60.627 1.00 0.00 C ATOM 202 CG PHE A 17 50.067 119.147 60.541 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.039 119.787 61.321 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.253 119.896 59.684 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.198 121.175 61.242 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.412 121.285 59.605 1.00 0.00 C ATOM 207 CZ PHE A 17 50.383 121.924 60.383 1.00 0.00 C ATOM 0 H PHE A 17 49.623 115.342 61.150 1.00 0.00 H new ATOM 0 HA PHE A 17 49.676 117.686 62.816 1.00 0.00 H new ATOM 0 HB2 PHE A 17 50.872 117.159 60.586 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.325 117.287 59.773 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.666 119.209 61.984 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.503 119.403 59.084 1.00 0.00 H new ATOM 0 HE1 PHE A 17 51.948 121.668 61.842 1.00 0.00 H new ATOM 0 HE2 PHE A 17 48.785 121.863 58.943 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.505 122.995 60.322 1.00 0.00 H new ATOM 217 N LEU A 18 47.548 118.921 62.672 1.00 0.00 N ATOM 218 CA LEU A 18 46.196 119.562 62.719 1.00 0.00 C ATOM 219 C LEU A 18 46.259 120.985 62.154 1.00 0.00 C ATOM 220 O LEU A 18 46.306 121.961 62.876 1.00 0.00 O ATOM 221 CB LEU A 18 45.789 119.585 64.194 1.00 0.00 C ATOM 222 CG LEU A 18 45.498 118.162 64.673 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.217 118.180 66.177 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.274 117.615 63.933 1.00 0.00 C ATOM 0 H LEU A 18 48.258 119.374 63.248 1.00 0.00 H new ATOM 0 HA LEU A 18 45.472 119.012 62.117 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.586 120.025 64.794 1.00 0.00 H new ATOM 0 HB3 LEU A 18 44.907 120.211 64.328 1.00 0.00 H new ATOM 0 HG LEU A 18 46.360 117.526 64.470 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.009 117.167 66.520 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.087 118.571 66.705 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.354 118.815 66.378 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.066 116.601 64.274 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.412 118.250 64.136 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.472 117.604 62.861 1.00 0.00 H new ATOM 236 N ALA A 19 46.236 121.088 60.852 1.00 0.00 N ATOM 237 CA ALA A 19 46.267 122.423 60.173 1.00 0.00 C ATOM 238 C ALA A 19 44.996 123.222 60.472 1.00 0.00 C ATOM 239 O ALA A 19 45.036 124.433 60.595 1.00 0.00 O ATOM 240 CB ALA A 19 46.313 122.090 58.678 1.00 0.00 C ATOM 0 H ALA A 19 46.196 120.291 60.217 1.00 0.00 H new ATOM 0 HA ALA A 19 47.111 123.026 60.509 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.338 123.014 58.100 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.206 121.503 58.463 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.428 121.516 58.406 1.00 0.00 H new ATOM 246 N HIS A 20 43.868 122.565 60.575 1.00 0.00 N ATOM 247 CA HIS A 20 42.593 123.301 60.847 1.00 0.00 C ATOM 248 C HIS A 20 42.576 123.855 62.277 1.00 0.00 C ATOM 249 O HIS A 20 41.882 124.813 62.565 1.00 0.00 O ATOM 250 CB HIS A 20 41.477 122.275 60.649 1.00 0.00 C ATOM 251 CG HIS A 20 40.143 122.959 60.760 1.00 0.00 C ATOM 252 ND1 HIS A 20 39.755 123.968 59.892 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.094 122.790 61.631 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.521 124.364 60.257 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.072 123.678 61.312 1.00 0.00 N ATOM 0 H HIS A 20 43.774 121.554 60.483 1.00 0.00 H new ATOM 0 HA HIS A 20 42.475 124.157 60.183 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.574 121.800 59.673 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.557 121.486 61.397 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.067 122.076 62.441 1.00 0.00 H new ATOM 0 HE1 HIS A 20 37.962 125.142 59.758 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.173 123.783 61.782 1.00 0.00 H new ATOM 263 N GLN A 21 43.323 123.262 63.173 1.00 51.13 N ATOM 264 CA GLN A 21 43.337 123.757 64.583 1.00 51.59 C ATOM 265 C GLN A 21 44.755 124.156 65.005 1.00 51.55 C ATOM 266 O GLN A 21 45.234 123.756 66.049 1.00 51.24 O ATOM 267 CB GLN A 21 42.844 122.575 65.419 1.00 52.27 C ATOM 268 CG GLN A 21 42.462 123.061 66.818 1.00 52.27 C ATOM 269 CD GLN A 21 41.192 123.912 66.734 1.00 52.27 C ATOM 270 OE1 GLN A 21 40.121 123.401 66.476 1.00 52.37 O ATOM 271 NE2 GLN A 21 41.268 125.199 66.943 1.00 51.79 N ATOM 0 H GLN A 21 43.923 122.458 62.990 1.00 51.13 H new ATOM 0 HA GLN A 21 42.714 124.642 64.710 1.00 51.59 H new ATOM 0 HB2 GLN A 21 41.984 122.109 64.937 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.622 121.815 65.487 1.00 52.27 H new ATOM 0 HG2 GLN A 21 42.299 122.209 67.478 1.00 52.27 H new ATOM 0 HG3 GLN A 21 43.276 123.645 67.247 1.00 52.27 H new ATOM 0 HE21 GLN A 21 42.168 125.628 67.160 1.00 51.79 H new ATOM 0 HE22 GLN A 21 40.428 125.775 66.890 1.00 51.79 H new ATOM 280 N SER A 22 45.432 124.946 64.204 1.00 52.26 N ATOM 281 CA SER A 22 46.819 125.372 64.567 1.00 52.76 C ATOM 282 C SER A 22 47.313 126.481 63.632 1.00 51.68 C ATOM 283 O SER A 22 46.955 126.532 62.472 1.00 52.15 O ATOM 284 CB SER A 22 47.679 124.120 64.399 1.00 53.63 C ATOM 285 OG SER A 22 47.887 123.873 63.015 1.00 55.19 O ATOM 0 H SER A 22 45.084 125.312 63.318 1.00 52.26 H new ATOM 0 HA SER A 22 46.863 125.772 65.580 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.636 124.252 64.904 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.189 123.264 64.863 1.00 53.63 H new ATOM 0 HG SER A 22 47.149 123.331 62.665 1.00 55.19 H new ATOM 291 N THR A 23 48.151 127.354 64.130 1.00 0.00 N ATOM 292 CA THR A 23 48.700 128.456 63.278 1.00 0.00 C ATOM 293 C THR A 23 50.230 128.317 63.205 1.00 0.00 C ATOM 294 O THR A 23 50.939 128.808 64.063 1.00 0.00 O ATOM 295 CB THR A 23 48.286 129.765 63.971 1.00 0.00 C ATOM 296 OG1 THR A 23 48.852 130.864 63.270 1.00 0.00 O ATOM 297 CG2 THR A 23 48.774 129.788 65.423 1.00 0.00 C ATOM 0 H THR A 23 48.481 127.352 65.095 1.00 0.00 H new ATOM 0 HA THR A 23 48.323 128.430 62.256 1.00 0.00 H new ATOM 0 HB THR A 23 47.198 129.834 63.967 1.00 0.00 H new ATOM 0 HG1 THR A 23 49.054 130.596 62.349 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.470 130.723 65.894 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.339 128.949 65.966 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.861 129.708 65.443 1.00 0.00 H new ATOM 305 N PRO A 24 50.687 127.619 62.190 1.00 49.88 N ATOM 306 CA PRO A 24 52.158 127.403 62.061 1.00 51.02 C ATOM 307 C PRO A 24 52.909 128.709 61.770 1.00 51.50 C ATOM 308 O PRO A 24 54.087 128.823 62.060 1.00 51.57 O ATOM 309 CB PRO A 24 52.288 126.445 60.880 1.00 51.23 C ATOM 310 CG PRO A 24 51.059 126.667 60.069 1.00 51.05 C ATOM 311 CD PRO A 24 49.971 127.054 61.029 1.00 49.44 C ATOM 0 HA PRO A 24 52.590 127.016 62.984 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.187 126.653 60.300 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.358 125.411 61.216 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.220 127.452 59.330 1.00 51.05 H new ATOM 0 HG3 PRO A 24 50.789 125.764 59.521 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.293 127.784 60.587 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.369 126.192 61.315 1.00 49.44 H new ATOM 319 N ASP A 25 52.255 129.684 61.193 1.00 0.00 N ATOM 320 CA ASP A 25 52.959 130.968 60.877 1.00 0.00 C ATOM 321 C ASP A 25 53.362 131.706 62.162 1.00 0.00 C ATOM 322 O ASP A 25 54.245 132.542 62.146 1.00 0.00 O ATOM 323 CB ASP A 25 51.974 131.796 60.047 1.00 0.00 C ATOM 324 CG ASP A 25 50.686 132.021 60.842 1.00 0.00 C ATOM 325 OD1 ASP A 25 49.977 131.055 61.066 1.00 0.00 O ATOM 326 OD2 ASP A 25 50.433 133.156 61.213 1.00 0.00 O ATOM 0 H ASP A 25 51.271 129.650 60.928 1.00 0.00 H new ATOM 0 HA ASP A 25 53.883 130.790 60.328 1.00 0.00 H new ATOM 0 HB2 ASP A 25 52.422 132.754 59.784 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.750 131.282 59.112 1.00 0.00 H new ATOM 331 N GLU A 26 52.730 131.408 63.272 1.00 0.00 N ATOM 332 CA GLU A 26 53.090 132.103 64.549 1.00 0.00 C ATOM 333 C GLU A 26 53.889 131.169 65.470 1.00 0.00 C ATOM 334 O GLU A 26 53.917 131.350 66.672 1.00 0.00 O ATOM 335 CB GLU A 26 51.753 132.469 65.191 1.00 0.00 C ATOM 336 CG GLU A 26 51.108 133.618 64.413 1.00 0.00 C ATOM 337 CD GLU A 26 49.770 133.984 65.055 1.00 0.00 C ATOM 338 OE1 GLU A 26 48.769 133.410 64.661 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.769 134.833 65.932 1.00 0.00 O ATOM 0 H GLU A 26 51.984 130.717 63.349 1.00 0.00 H new ATOM 0 HA GLU A 26 53.716 132.978 64.373 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.091 131.603 65.196 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.905 132.760 66.230 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.770 134.484 64.408 1.00 0.00 H new ATOM 0 HG3 GLU A 26 50.957 133.327 63.374 1.00 0.00 H new ATOM 346 N GLY A 27 54.537 130.175 64.914 1.00 0.00 N ATOM 347 CA GLY A 27 55.333 129.225 65.749 1.00 0.00 C ATOM 348 C GLY A 27 54.396 128.410 66.646 1.00 0.00 C ATOM 349 O GLY A 27 54.777 127.960 67.710 1.00 0.00 O ATOM 0 H GLY A 27 54.548 129.981 63.913 1.00 0.00 H new ATOM 0 HA2 GLY A 27 55.909 128.558 65.108 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.048 129.775 66.360 1.00 0.00 H new ATOM 353 N ARG A 28 53.175 128.219 66.218 1.00 0.00 N ATOM 354 CA ARG A 28 52.200 127.434 67.030 1.00 0.00 C ATOM 355 C ARG A 28 51.680 126.245 66.221 1.00 0.00 C ATOM 356 O ARG A 28 50.729 126.364 65.469 1.00 0.00 O ATOM 357 CB ARG A 28 51.072 128.412 67.354 1.00 0.00 C ATOM 358 CG ARG A 28 51.317 129.038 68.729 1.00 0.00 C ATOM 359 CD ARG A 28 50.187 130.018 69.054 1.00 0.00 C ATOM 360 NE ARG A 28 50.527 130.562 70.399 1.00 0.00 N ATOM 361 CZ ARG A 28 50.881 131.811 70.527 1.00 0.00 C ATOM 362 NH1 ARG A 28 50.146 132.755 70.008 1.00 0.00 N ATOM 363 NH2 ARG A 28 51.972 132.115 71.175 1.00 0.00 N ATOM 0 H ARG A 28 52.810 128.576 65.335 1.00 0.00 H new ATOM 0 HA ARG A 28 52.647 127.025 67.936 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.021 129.190 66.592 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.113 127.894 67.344 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.368 128.260 69.491 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.276 129.556 68.739 1.00 0.00 H new ATOM 0 HD2 ARG A 28 50.127 130.812 68.310 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.219 129.516 69.064 1.00 0.00 H new ATOM 0 HE ARG A 28 50.483 129.958 71.220 1.00 0.00 H new ATOM 0 HH11 ARG A 28 49.293 132.517 69.501 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.424 133.731 70.109 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.547 131.376 71.581 1.00 0.00 H new ATOM 0 HH22 ARG A 28 52.250 133.091 71.276 1.00 0.00 H new ATOM 377 N TYR A 29 52.291 125.097 66.378 1.00 46.07 N ATOM 378 CA TYR A 29 51.832 123.887 65.630 1.00 43.41 C ATOM 379 C TYR A 29 51.067 122.965 66.584 1.00 41.37 C ATOM 380 O TYR A 29 51.465 122.765 67.716 1.00 39.95 O ATOM 381 CB TYR A 29 53.109 123.199 65.131 1.00 43.56 C ATOM 382 CG TYR A 29 53.933 124.161 64.304 1.00 42.53 C ATOM 383 CD1 TYR A 29 54.801 125.058 64.938 1.00 41.55 C ATOM 384 CD2 TYR A 29 53.834 124.151 62.909 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.569 125.946 64.177 1.00 42.67 C ATOM 386 CE2 TYR A 29 54.603 125.040 62.147 1.00 42.98 C ATOM 387 CZ TYR A 29 55.470 125.938 62.781 1.00 43.35 C ATOM 388 OH TYR A 29 56.227 126.813 62.030 1.00 43.13 O ATOM 0 H TYR A 29 53.090 124.946 66.994 1.00 46.07 H new ATOM 0 HA TYR A 29 51.168 124.137 64.802 1.00 43.41 H new ATOM 0 HB2 TYR A 29 53.694 122.844 65.979 1.00 43.56 H new ATOM 0 HB3 TYR A 29 52.850 122.325 64.534 1.00 43.56 H new ATOM 0 HD1 TYR A 29 54.878 125.065 66.015 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.165 123.458 62.420 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.238 126.638 64.667 1.00 42.67 H new ATOM 0 HE2 TYR A 29 54.527 125.033 61.070 1.00 42.98 H new ATOM 0 HH TYR A 29 55.718 127.636 61.875 1.00 43.13 H new ATOM 398 N ALA A 30 49.964 122.421 66.138 1.00 0.00 N ATOM 399 CA ALA A 30 49.162 121.528 67.029 1.00 0.00 C ATOM 400 C ALA A 30 49.158 120.087 66.509 1.00 0.00 C ATOM 401 O ALA A 30 48.712 119.816 65.412 1.00 0.00 O ATOM 402 CB ALA A 30 47.749 122.111 67.011 1.00 0.00 C ATOM 0 H ALA A 30 49.585 122.555 65.201 1.00 0.00 H new ATOM 0 HA ALA A 30 49.577 121.487 68.036 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.098 121.508 67.644 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.773 123.134 67.385 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.367 122.107 65.990 1.00 0.00 H new ATOM 408 N PHE A 31 49.640 119.163 67.301 1.00 36.58 N ATOM 409 CA PHE A 31 49.651 117.731 66.873 1.00 36.29 C ATOM 410 C PHE A 31 48.757 116.908 67.805 1.00 35.25 C ATOM 411 O PHE A 31 48.871 116.995 69.014 1.00 34.09 O ATOM 412 CB PHE A 31 51.105 117.274 67.005 1.00 36.39 C ATOM 413 CG PHE A 31 51.954 117.937 65.949 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.499 119.205 66.182 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.200 117.283 64.736 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.290 119.818 65.204 1.00 37.40 C ATOM 417 CE2 PHE A 31 52.991 117.895 63.757 1.00 37.25 C ATOM 418 CZ PHE A 31 53.535 119.163 63.991 1.00 36.45 C ATOM 0 H PHE A 31 50.027 119.339 68.228 1.00 36.58 H new ATOM 0 HA PHE A 31 49.279 117.605 65.856 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.484 117.522 67.996 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.165 116.190 66.903 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.309 119.711 67.117 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.779 116.305 64.555 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.711 120.796 65.385 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.181 117.389 62.822 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.144 119.637 63.235 1.00 36.45 H new ATOM 428 N ALA A 32 47.885 116.097 67.261 1.00 34.06 N ATOM 429 CA ALA A 32 47.000 115.250 68.117 1.00 32.35 C ATOM 430 C ALA A 32 47.373 113.784 67.913 1.00 31.25 C ATOM 431 O ALA A 32 47.514 113.333 66.792 1.00 31.96 O ATOM 432 CB ALA A 32 45.581 115.516 67.615 1.00 32.65 C ATOM 0 H ALA A 32 47.748 115.985 66.257 1.00 34.06 H new ATOM 0 HA ALA A 32 47.094 115.475 69.179 1.00 32.35 H new ATOM 0 HB1 ALA A 32 44.873 114.927 68.197 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.349 116.575 67.725 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.508 115.236 66.564 1.00 32.65 H new ATOM 438 N TYR A 33 47.554 113.036 68.973 1.00 29.03 N ATOM 439 CA TYR A 33 47.938 111.600 68.800 1.00 27.15 C ATOM 440 C TYR A 33 46.987 110.675 69.559 1.00 26.72 C ATOM 441 O TYR A 33 46.500 111.004 70.624 1.00 28.24 O ATOM 442 CB TYR A 33 49.369 111.489 69.340 1.00 26.09 C ATOM 443 CG TYR A 33 49.420 111.875 70.801 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.646 113.207 71.165 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.258 110.896 71.789 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.708 113.561 72.518 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.323 111.249 73.141 1.00 25.85 C ATOM 448 CZ TYR A 33 49.547 112.582 73.506 1.00 27.60 C ATOM 449 OH TYR A 33 49.615 112.929 74.841 1.00 28.81 O ATOM 0 H TYR A 33 47.454 113.351 69.938 1.00 29.03 H new ATOM 0 HA TYR A 33 47.879 111.295 67.755 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.732 110.469 69.215 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.031 112.136 68.764 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.773 113.961 70.403 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.083 109.868 71.507 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.880 114.589 72.800 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.200 110.494 73.903 1.00 25.85 H new ATOM 0 HH TYR A 33 48.718 112.892 75.235 1.00 28.81 H new ATOM 459 N SER A 34 46.731 109.513 69.013 1.00 0.00 N ATOM 460 CA SER A 34 45.822 108.544 69.690 1.00 0.00 C ATOM 461 C SER A 34 46.660 107.456 70.362 1.00 0.00 C ATOM 462 O SER A 34 47.658 107.017 69.830 1.00 0.00 O ATOM 463 CB SER A 34 44.963 107.953 68.573 1.00 0.00 C ATOM 464 OG SER A 34 44.056 107.009 69.129 1.00 0.00 O ATOM 0 H SER A 34 47.115 109.194 68.123 1.00 0.00 H new ATOM 0 HA SER A 34 45.206 109.008 70.461 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.415 108.745 68.062 1.00 0.00 H new ATOM 0 HB3 SER A 34 45.596 107.471 67.828 1.00 0.00 H new ATOM 0 HG SER A 34 43.183 107.098 68.693 1.00 0.00 H new ATOM 470 N ILE A 35 46.273 107.042 71.537 1.00 0.00 N ATOM 471 CA ILE A 35 47.053 106.002 72.274 1.00 0.00 C ATOM 472 C ILE A 35 46.347 104.641 72.251 1.00 0.00 C ATOM 473 O ILE A 35 45.165 104.528 72.514 1.00 0.00 O ATOM 474 CB ILE A 35 47.120 106.540 73.714 1.00 0.00 C ATOM 475 CG1 ILE A 35 47.826 107.910 73.724 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.894 105.562 74.606 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.249 107.783 73.162 1.00 0.00 C ATOM 0 H ILE A 35 45.443 107.381 72.024 1.00 0.00 H new ATOM 0 HA ILE A 35 48.033 105.837 71.827 1.00 0.00 H new ATOM 0 HB ILE A 35 46.106 106.649 74.098 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.256 108.624 73.130 1.00 0.00 H new ATOM 0 HG13 ILE A 35 47.863 108.300 74.741 1.00 0.00 H new ATOM 0 HG21 ILE A 35 47.936 105.952 75.623 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.390 104.595 74.608 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.907 105.442 74.221 1.00 0.00 H new ATOM 0 HD11 ILE A 35 49.734 108.759 73.176 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.821 107.085 73.773 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.204 107.415 72.137 1.00 0.00 H new ATOM 489 N ARG A 36 47.090 103.610 71.937 1.00 25.30 N ATOM 490 CA ARG A 36 46.510 102.235 71.886 1.00 25.64 C ATOM 491 C ARG A 36 47.293 101.309 72.821 1.00 23.79 C ATOM 492 O ARG A 36 48.340 100.796 72.477 1.00 25.11 O ATOM 493 CB ARG A 36 46.661 101.786 70.432 1.00 28.66 C ATOM 494 CG ARG A 36 45.704 102.587 69.547 1.00 34.24 C ATOM 495 CD ARG A 36 45.856 102.138 68.093 1.00 37.45 C ATOM 496 NE ARG A 36 44.823 102.905 67.343 1.00 40.12 N ATOM 497 CZ ARG A 36 45.063 104.134 66.975 1.00 40.24 C ATOM 498 NH1 ARG A 36 46.114 104.406 66.251 1.00 39.07 N ATOM 499 NH2 ARG A 36 44.250 105.091 67.330 1.00 39.81 N ATOM 0 H ARG A 36 48.083 103.664 71.712 1.00 25.30 H new ATOM 0 HA ARG A 36 45.468 102.212 72.205 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.689 101.933 70.100 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.447 100.721 70.345 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.676 102.440 69.878 1.00 34.24 H new ATOM 0 HG3 ARG A 36 45.917 103.652 69.634 1.00 34.24 H new ATOM 0 HD2 ARG A 36 46.857 102.351 67.717 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.700 101.064 67.993 1.00 37.45 H new ATOM 0 HE ARG A 36 43.928 102.470 67.117 1.00 40.12 H new ATOM 0 HH11 ARG A 36 46.749 103.658 65.972 1.00 39.07 H new ATOM 0 HH12 ARG A 36 46.301 105.367 65.964 1.00 39.07 H new ATOM 0 HH21 ARG A 36 43.428 104.878 67.895 1.00 39.81 H new ATOM 0 HH22 ARG A 36 44.437 106.052 67.043 1.00 39.81 H new ATOM 513 N ILE A 37 46.784 101.104 74.004 1.00 20.73 N ATOM 514 CA ILE A 37 47.467 100.223 74.999 1.00 18.17 C ATOM 515 C ILE A 37 46.934 98.788 74.904 1.00 17.71 C ATOM 516 O ILE A 37 45.774 98.531 75.153 1.00 15.34 O ATOM 517 CB ILE A 37 47.115 100.830 76.364 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.617 102.276 76.430 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.788 100.019 77.476 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.039 102.962 77.669 1.00 16.07 C ATOM 0 H ILE A 37 45.910 101.515 74.331 1.00 20.73 H new ATOM 0 HA ILE A 37 48.543 100.172 74.831 1.00 18.17 H new ATOM 0 HB ILE A 37 46.033 100.809 76.495 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.706 102.292 76.467 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.321 102.816 75.531 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.537 100.451 78.445 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.437 98.988 77.437 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.869 100.040 77.338 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.397 103.991 77.715 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.950 102.958 77.612 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.358 102.426 78.563 1.00 16.07 H new ATOM 532 N GLN A 38 47.785 97.850 74.569 1.00 0.00 N ATOM 533 CA GLN A 38 47.346 96.425 74.484 1.00 0.00 C ATOM 534 C GLN A 38 48.112 95.596 75.520 1.00 0.00 C ATOM 535 O GLN A 38 49.313 95.716 75.665 1.00 0.00 O ATOM 536 CB GLN A 38 47.679 95.977 73.059 1.00 0.00 C ATOM 537 CG GLN A 38 47.246 94.522 72.863 1.00 0.00 C ATOM 538 CD GLN A 38 47.580 94.077 71.438 1.00 0.00 C ATOM 539 OE1 GLN A 38 48.686 94.266 70.973 1.00 0.00 O ATOM 540 NE2 GLN A 38 46.662 93.489 70.721 1.00 0.00 N ATOM 0 H GLN A 38 48.768 98.012 74.350 1.00 0.00 H new ATOM 0 HA GLN A 38 46.284 96.299 74.692 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.172 96.618 72.338 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.749 96.076 72.877 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.753 93.880 73.584 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.176 94.422 73.045 1.00 0.00 H new ATOM 0 HE21 GLN A 38 45.733 93.330 71.112 1.00 0.00 H new ATOM 0 HE22 GLN A 38 46.873 93.188 69.770 1.00 0.00 H new ATOM 549 N ASN A 39 47.409 94.765 76.249 1.00 15.86 N ATOM 550 CA ASN A 39 48.077 93.931 77.294 1.00 17.88 C ATOM 551 C ASN A 39 48.436 92.552 76.732 1.00 18.37 C ATOM 552 O ASN A 39 47.570 91.783 76.360 1.00 18.69 O ATOM 553 CB ASN A 39 47.059 93.811 78.430 1.00 19.10 C ATOM 554 CG ASN A 39 47.690 93.082 79.622 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.777 92.546 79.523 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.044 93.037 80.756 1.00 19.13 N ATOM 0 H ASN A 39 46.402 94.629 76.165 1.00 15.86 H new ATOM 0 HA ASN A 39 49.010 94.378 77.638 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.723 94.802 78.735 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.179 93.268 78.085 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.451 92.553 81.556 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.132 93.486 80.842 1.00 19.13 H new ATOM 563 N ALA A 40 49.704 92.227 76.683 1.00 0.00 N ATOM 564 CA ALA A 40 50.118 90.887 76.163 1.00 0.00 C ATOM 565 C ALA A 40 50.799 90.068 77.271 1.00 0.00 C ATOM 566 O ALA A 40 51.456 89.080 77.000 1.00 0.00 O ATOM 567 CB ALA A 40 51.096 91.182 75.025 1.00 0.00 C ATOM 0 H ALA A 40 50.470 92.831 76.980 1.00 0.00 H new ATOM 0 HA ALA A 40 49.266 90.299 75.820 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.444 90.244 74.592 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.594 91.771 74.258 1.00 0.00 H new ATOM 0 HB3 ALA A 40 51.948 91.741 75.413 1.00 0.00 H new ATOM 573 N GLY A 41 50.645 90.465 78.513 1.00 27.60 N ATOM 574 CA GLY A 41 51.280 89.706 79.630 1.00 28.62 C ATOM 575 C GLY A 41 50.391 88.518 80.005 1.00 29.10 C ATOM 576 O GLY A 41 49.348 88.306 79.416 1.00 28.18 O ATOM 0 H GLY A 41 50.106 91.283 78.798 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.268 89.355 79.331 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.420 90.357 80.493 1.00 28.62 H new ATOM 580 N ALA A 42 50.798 87.743 80.978 1.00 0.00 N ATOM 581 CA ALA A 42 49.982 86.566 81.395 1.00 0.00 C ATOM 582 C ALA A 42 49.051 86.948 82.544 1.00 0.00 C ATOM 583 O ALA A 42 47.953 86.441 82.668 1.00 0.00 O ATOM 584 CB ALA A 42 51.002 85.526 81.859 1.00 0.00 C ATOM 0 H ALA A 42 51.663 87.876 81.502 1.00 0.00 H new ATOM 0 HA ALA A 42 49.353 86.192 80.587 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.481 84.625 82.184 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.672 85.281 81.035 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.581 85.930 82.690 1.00 0.00 H new ATOM 590 N VAL A 43 49.499 87.839 83.382 1.00 0.00 N ATOM 591 CA VAL A 43 48.667 88.278 84.546 1.00 0.00 C ATOM 592 C VAL A 43 48.121 89.693 84.296 1.00 0.00 C ATOM 593 O VAL A 43 48.805 90.526 83.736 1.00 0.00 O ATOM 594 CB VAL A 43 49.633 88.251 85.740 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.933 88.746 87.006 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.122 86.818 85.962 1.00 0.00 C ATOM 0 H VAL A 43 50.412 88.288 83.314 1.00 0.00 H new ATOM 0 HA VAL A 43 47.799 87.640 84.717 1.00 0.00 H new ATOM 0 HB VAL A 43 50.477 88.906 85.525 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.632 88.720 87.842 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.586 89.768 86.854 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.081 88.103 87.226 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.808 86.795 86.809 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.270 86.170 86.168 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.637 86.467 85.068 1.00 0.00 H new ATOM 606 N PRO A 44 46.889 89.916 84.716 1.00 21.08 N ATOM 607 CA PRO A 44 46.284 91.271 84.499 1.00 21.01 C ATOM 608 C PRO A 44 47.181 92.382 85.061 1.00 21.95 C ATOM 609 O PRO A 44 47.876 92.201 86.047 1.00 21.40 O ATOM 610 CB PRO A 44 44.952 91.209 85.246 1.00 20.53 C ATOM 611 CG PRO A 44 45.151 90.143 86.261 1.00 18.90 C ATOM 612 CD PRO A 44 46.017 89.114 85.596 1.00 19.89 C ATOM 0 HA PRO A 44 46.161 91.504 83.441 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.713 92.164 85.714 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.129 90.969 84.573 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.629 90.539 87.157 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.198 89.713 86.571 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.595 88.545 86.324 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.424 88.397 85.028 1.00 19.89 H new ATOM 620 N ALA A 45 47.177 93.525 84.421 1.00 20.91 N ATOM 621 CA ALA A 45 48.034 94.654 84.883 1.00 19.47 C ATOM 622 C ALA A 45 47.289 95.992 84.809 1.00 19.21 C ATOM 623 O ALA A 45 46.408 96.192 83.991 1.00 19.53 O ATOM 624 CB ALA A 45 49.211 94.655 83.909 1.00 18.37 C ATOM 0 H ALA A 45 46.613 93.723 83.594 1.00 20.91 H new ATOM 0 HA ALA A 45 48.337 94.533 85.923 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.900 95.458 84.172 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.730 93.698 83.965 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.844 94.810 82.894 1.00 18.37 H new ATOM 630 N ARG A 46 47.653 96.907 85.669 1.00 0.00 N ATOM 631 CA ARG A 46 46.999 98.248 85.685 1.00 0.00 C ATOM 632 C ARG A 46 48.066 99.340 85.599 1.00 0.00 C ATOM 633 O ARG A 46 49.192 99.149 86.019 1.00 0.00 O ATOM 634 CB ARG A 46 46.272 98.312 87.029 1.00 0.00 C ATOM 635 CG ARG A 46 45.376 99.551 87.077 1.00 0.00 C ATOM 636 CD ARG A 46 45.084 99.914 88.535 1.00 0.00 C ATOM 637 NE ARG A 46 43.747 100.569 88.508 1.00 0.00 N ATOM 638 CZ ARG A 46 42.928 100.421 89.512 1.00 0.00 C ATOM 639 NH1 ARG A 46 43.084 101.137 90.592 1.00 0.00 N ATOM 640 NH2 ARG A 46 41.952 99.558 89.437 1.00 0.00 N ATOM 0 H ARG A 46 48.384 96.780 86.369 1.00 0.00 H new ATOM 0 HA ARG A 46 46.317 98.395 84.847 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.672 97.413 87.171 1.00 0.00 H new ATOM 0 HB3 ARG A 46 46.996 98.344 87.843 1.00 0.00 H new ATOM 0 HG2 ARG A 46 45.864 100.386 86.574 1.00 0.00 H new ATOM 0 HG3 ARG A 46 44.444 99.360 86.545 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.076 99.027 89.169 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.844 100.585 88.935 1.00 0.00 H new ATOM 0 HE ARG A 46 43.472 101.133 87.704 1.00 0.00 H new ATOM 0 HH11 ARG A 46 43.846 101.812 90.651 1.00 0.00 H new ATOM 0 HH12 ARG A 46 42.444 101.021 91.377 1.00 0.00 H new ATOM 0 HH21 ARG A 46 41.829 98.999 88.593 1.00 0.00 H new ATOM 0 HH22 ARG A 46 41.312 99.443 90.223 1.00 0.00 H new ATOM 654 N LEU A 47 47.724 100.484 85.059 1.00 0.00 N ATOM 655 CA LEU A 47 48.725 101.590 84.945 1.00 0.00 C ATOM 656 C LEU A 47 48.539 102.576 86.100 1.00 0.00 C ATOM 657 O LEU A 47 47.490 103.174 86.249 1.00 0.00 O ATOM 658 CB LEU A 47 48.426 102.264 83.604 1.00 0.00 C ATOM 659 CG LEU A 47 49.584 103.191 83.226 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.525 103.495 81.728 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.474 104.498 84.014 1.00 0.00 C ATOM 0 H LEU A 47 46.797 100.700 84.693 1.00 0.00 H new ATOM 0 HA LEU A 47 49.753 101.230 84.992 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.283 101.510 82.830 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.498 102.833 83.670 1.00 0.00 H new ATOM 0 HG LEU A 47 50.529 102.703 83.463 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.349 104.155 81.458 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.605 102.565 81.165 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.578 103.982 81.492 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.299 105.157 83.743 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.528 104.986 83.779 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.516 104.284 85.082 1.00 0.00 H new ATOM 673 N VAL A 48 49.545 102.738 86.924 1.00 0.00 N ATOM 674 CA VAL A 48 49.423 103.676 88.079 1.00 0.00 C ATOM 675 C VAL A 48 50.104 105.017 87.775 1.00 0.00 C ATOM 676 O VAL A 48 49.709 106.041 88.303 1.00 0.00 O ATOM 677 CB VAL A 48 50.109 102.966 89.252 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.033 103.843 90.506 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.406 101.635 89.530 1.00 0.00 C ATOM 0 H VAL A 48 50.443 102.261 86.846 1.00 0.00 H new ATOM 0 HA VAL A 48 48.381 103.909 88.300 1.00 0.00 H new ATOM 0 HB VAL A 48 51.153 102.785 88.995 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.522 103.334 91.336 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.534 104.792 90.317 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.989 104.028 90.758 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.895 101.132 90.364 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.362 101.821 89.781 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.460 101.003 88.644 1.00 0.00 H new ATOM 689 N ALA A 49 51.133 105.027 86.956 1.00 0.00 N ATOM 690 CA ALA A 49 51.823 106.325 86.670 1.00 0.00 C ATOM 691 C ALA A 49 52.261 106.441 85.203 1.00 0.00 C ATOM 692 O ALA A 49 52.293 105.478 84.463 1.00 0.00 O ATOM 693 CB ALA A 49 53.043 106.331 87.591 1.00 0.00 C ATOM 0 H ALA A 49 51.517 104.209 86.483 1.00 0.00 H new ATOM 0 HA ALA A 49 51.155 107.169 86.844 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.606 107.253 87.443 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.716 106.268 88.629 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.679 105.476 87.359 1.00 0.00 H new ATOM 699 N ARG A 50 52.601 107.637 84.798 1.00 18.13 N ATOM 700 CA ARG A 50 53.051 107.888 83.396 1.00 20.89 C ATOM 701 C ARG A 50 54.175 108.935 83.375 1.00 22.46 C ATOM 702 O ARG A 50 54.154 109.905 84.108 1.00 23.35 O ATOM 703 CB ARG A 50 51.804 108.407 82.664 1.00 21.09 C ATOM 704 CG ARG A 50 51.347 109.743 83.261 1.00 22.20 C ATOM 705 CD ARG A 50 49.972 110.110 82.697 1.00 26.75 C ATOM 706 NE ARG A 50 49.667 111.450 83.270 1.00 26.68 N ATOM 707 CZ ARG A 50 49.683 112.505 82.503 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.754 112.671 81.601 1.00 29.05 N ATOM 709 NH2 ARG A 50 50.627 113.396 82.639 1.00 27.75 N ATOM 0 H ARG A 50 52.585 108.466 85.392 1.00 18.13 H new ATOM 0 HA ARG A 50 53.453 106.991 82.924 1.00 20.89 H new ATOM 0 HB2 ARG A 50 52.023 108.532 81.604 1.00 21.09 H new ATOM 0 HB3 ARG A 50 51.000 107.675 82.739 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.299 109.671 84.348 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.069 110.525 83.025 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.987 110.141 81.608 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.219 109.377 82.985 1.00 26.75 H new ATOM 0 HE ARG A 50 49.446 111.543 84.261 1.00 26.68 H new ATOM 0 HH11 ARG A 50 48.015 111.976 81.496 1.00 29.05 H new ATOM 0 HH12 ARG A 50 48.767 113.496 81.001 1.00 29.05 H new ATOM 0 HH21 ARG A 50 51.352 113.267 83.345 1.00 27.75 H new ATOM 0 HH22 ARG A 50 50.640 114.221 82.039 1.00 27.75 H new ATOM 723 N HIS A 51 55.154 108.730 82.531 1.00 22.89 N ATOM 724 CA HIS A 51 56.297 109.688 82.432 1.00 23.99 C ATOM 725 C HIS A 51 56.740 109.812 80.969 1.00 24.58 C ATOM 726 O HIS A 51 57.216 108.865 80.372 1.00 24.14 O ATOM 727 CB HIS A 51 57.404 109.075 83.296 1.00 22.92 C ATOM 728 CG HIS A 51 58.628 109.952 83.262 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.888 109.475 83.588 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.800 111.277 82.941 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.754 110.497 83.458 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.143 111.618 83.066 1.00 25.48 N ATOM 0 H HIS A 51 55.211 107.931 81.899 1.00 22.89 H new ATOM 0 HA HIS A 51 56.039 110.692 82.770 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.055 108.962 84.323 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.651 108.078 82.932 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.117 108.523 83.874 1.00 27.97 H new ATOM 0 HD2 HIS A 51 58.013 111.951 82.638 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.814 110.420 83.648 1.00 26.28 H new ATOM 740 N TRP A 52 56.575 110.975 80.390 1.00 24.73 N ATOM 741 CA TRP A 52 56.969 111.177 78.963 1.00 24.73 C ATOM 742 C TRP A 52 58.331 111.875 78.857 1.00 25.24 C ATOM 743 O TRP A 52 58.585 112.866 79.515 1.00 25.25 O ATOM 744 CB TRP A 52 55.882 112.088 78.391 1.00 22.37 C ATOM 745 CG TRP A 52 54.609 111.322 78.230 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.500 111.493 78.985 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.294 110.273 77.270 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.523 110.617 78.549 1.00 19.65 N ATOM 749 CE2 TRP A 52 52.964 109.844 77.494 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.025 109.659 76.237 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.380 108.842 76.719 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.439 108.649 75.456 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.120 108.241 75.697 1.00 18.33 C ATOM 0 H TRP A 52 56.182 111.797 80.848 1.00 24.73 H new ATOM 0 HA TRP A 52 57.059 110.229 78.433 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.723 112.939 79.053 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.200 112.488 77.428 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.395 112.198 79.796 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.591 110.550 78.957 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.042 109.966 76.043 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.363 108.533 76.907 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.008 108.184 74.665 1.00 19.43 H new ATOM 0 HH2 TRP A 52 52.676 107.463 75.094 1.00 18.33 H new ATOM 764 N GLN A 53 59.201 111.363 78.025 1.00 0.00 N ATOM 765 CA GLN A 53 60.549 111.985 77.852 1.00 0.00 C ATOM 766 C GLN A 53 60.692 112.499 76.415 1.00 0.00 C ATOM 767 O GLN A 53 61.340 111.886 75.588 1.00 0.00 O ATOM 768 CB GLN A 53 61.541 110.852 78.117 1.00 0.00 C ATOM 769 CG GLN A 53 62.967 111.410 78.118 1.00 0.00 C ATOM 770 CD GLN A 53 63.941 110.338 78.615 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.546 109.403 79.285 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.206 110.435 78.314 1.00 0.00 N ATOM 0 H GLN A 53 59.034 110.535 77.454 1.00 0.00 H new ATOM 0 HA GLN A 53 60.714 112.831 78.519 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.323 110.381 79.075 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.441 110.081 77.353 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.244 111.729 77.113 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.023 112.290 78.758 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.538 111.219 77.752 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.864 109.727 78.640 1.00 0.00 H new ATOM 781 N ILE A 54 60.068 113.609 76.111 1.00 28.56 N ATOM 782 CA ILE A 54 60.136 114.165 74.723 1.00 31.69 C ATOM 783 C ILE A 54 61.386 115.036 74.504 1.00 31.35 C ATOM 784 O ILE A 54 61.679 115.938 75.264 1.00 31.20 O ATOM 785 CB ILE A 54 58.830 114.978 74.537 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.838 116.252 75.396 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.615 114.121 74.915 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.619 117.109 75.044 1.00 36.11 C ATOM 0 H ILE A 54 59.512 114.157 76.767 1.00 28.56 H new ATOM 0 HA ILE A 54 60.220 113.367 73.985 1.00 31.69 H new ATOM 0 HB ILE A 54 58.766 115.266 73.488 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.820 115.991 76.454 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.755 116.815 75.223 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.703 114.703 74.780 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.580 113.238 74.277 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.698 113.812 75.957 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.622 118.014 75.652 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.658 117.381 73.989 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.708 116.544 75.240 1.00 36.11 H new ATOM 800 N THR A 55 62.106 114.775 73.442 1.00 32.39 N ATOM 801 CA THR A 55 63.316 115.590 73.116 1.00 32.79 C ATOM 802 C THR A 55 63.085 116.256 71.760 1.00 33.98 C ATOM 803 O THR A 55 62.667 115.623 70.809 1.00 33.62 O ATOM 804 CB THR A 55 64.498 114.621 73.072 1.00 32.44 C ATOM 805 OG1 THR A 55 64.431 113.745 74.189 1.00 30.14 O ATOM 806 CG2 THR A 55 65.810 115.405 73.115 1.00 31.51 C ATOM 0 H THR A 55 61.905 114.025 72.781 1.00 32.39 H new ATOM 0 HA THR A 55 63.513 116.371 73.850 1.00 32.79 H new ATOM 0 HB THR A 55 64.457 114.041 72.150 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.194 114.255 74.991 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.650 114.711 73.083 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.861 116.076 72.257 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.855 115.988 74.035 1.00 31.51 H new ATOM 814 N ASP A 56 63.322 117.541 71.681 1.00 36.19 N ATOM 815 CA ASP A 56 63.080 118.268 70.402 1.00 38.66 C ATOM 816 C ASP A 56 64.322 118.233 69.502 1.00 38.50 C ATOM 817 O ASP A 56 65.391 117.818 69.906 1.00 37.75 O ATOM 818 CB ASP A 56 62.740 119.701 70.825 1.00 41.21 C ATOM 819 CG ASP A 56 62.008 120.441 69.697 1.00 42.74 C ATOM 820 OD1 ASP A 56 61.949 119.920 68.595 1.00 45.04 O ATOM 821 OD2 ASP A 56 61.511 121.524 69.963 1.00 43.86 O ATOM 0 H ASP A 56 63.672 118.116 72.447 1.00 36.19 H new ATOM 0 HA ASP A 56 62.279 117.815 69.818 1.00 38.66 H new ATOM 0 HB2 ASP A 56 62.117 119.683 71.719 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.654 120.235 71.084 1.00 41.21 H new ATOM 826 N GLY A 57 64.167 118.655 68.273 1.00 37.51 N ATOM 827 CA GLY A 57 65.301 118.647 67.298 1.00 38.01 C ATOM 828 C GLY A 57 66.455 119.564 67.743 1.00 39.47 C ATOM 829 O GLY A 57 67.508 119.556 67.132 1.00 38.99 O ATOM 0 H GLY A 57 63.288 119.011 67.897 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.672 117.629 67.183 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.940 118.968 66.321 1.00 38.01 H new ATOM 833 N ASN A 58 66.296 120.335 68.798 1.00 0.00 N ATOM 834 CA ASN A 58 67.424 121.210 69.252 1.00 0.00 C ATOM 835 C ASN A 58 68.142 120.584 70.463 1.00 0.00 C ATOM 836 O ASN A 58 69.010 121.196 71.057 1.00 0.00 O ATOM 837 CB ASN A 58 66.781 122.546 69.624 1.00 0.00 C ATOM 838 CG ASN A 58 66.290 123.248 68.356 1.00 0.00 C ATOM 839 OD1 ASN A 58 65.140 123.629 68.264 1.00 0.00 O ATOM 840 ND2 ASN A 58 67.121 123.436 67.366 1.00 0.00 N ATOM 0 H ASN A 58 65.444 120.395 69.356 1.00 0.00 H new ATOM 0 HA ASN A 58 68.180 121.334 68.476 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.948 122.383 70.308 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.502 123.176 70.145 1.00 0.00 H new ATOM 0 HD21 ASN A 58 66.804 123.903 66.516 1.00 0.00 H new ATOM 0 HD22 ASN A 58 68.087 123.116 67.443 1.00 0.00 H new ATOM 847 N GLY A 59 67.801 119.365 70.818 1.00 0.00 N ATOM 848 CA GLY A 59 68.476 118.695 71.971 1.00 0.00 C ATOM 849 C GLY A 59 67.684 118.911 73.264 1.00 0.00 C ATOM 850 O GLY A 59 67.687 118.067 74.141 1.00 0.00 O ATOM 0 H GLY A 59 67.083 118.807 70.356 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.572 117.628 71.772 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.485 119.090 72.087 1.00 0.00 H new ATOM 854 N ARG A 60 67.013 120.029 73.395 1.00 49.10 N ATOM 855 CA ARG A 60 66.228 120.285 74.645 1.00 50.05 C ATOM 856 C ARG A 60 65.124 119.234 74.793 1.00 49.79 C ATOM 857 O ARG A 60 64.525 118.813 73.821 1.00 48.27 O ATOM 858 CB ARG A 60 65.622 121.685 74.467 1.00 52.38 C ATOM 859 CG ARG A 60 66.331 122.688 75.389 1.00 55.08 C ATOM 860 CD ARG A 60 67.227 123.615 74.560 1.00 57.97 C ATOM 861 NE ARG A 60 66.306 124.313 73.619 1.00 60.72 N ATOM 862 CZ ARG A 60 66.790 124.965 72.598 1.00 61.65 C ATOM 863 NH1 ARG A 60 67.744 125.837 72.772 1.00 62.78 N ATOM 864 NH2 ARG A 60 66.319 124.745 71.401 1.00 61.80 N ATOM 0 H ARG A 60 66.974 120.771 72.696 1.00 49.10 H new ATOM 0 HA ARG A 60 66.848 120.228 75.540 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.719 122.002 73.429 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.556 121.660 74.695 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.594 123.275 75.937 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.929 122.156 76.129 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.753 124.327 75.197 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.986 123.049 74.020 1.00 57.97 H new ATOM 0 HE ARG A 60 65.298 124.281 73.773 1.00 60.72 H new ATOM 0 HH11 ARG A 60 68.113 126.010 73.707 1.00 62.78 H new ATOM 0 HH12 ARG A 60 68.122 126.346 71.973 1.00 62.78 H new ATOM 0 HH21 ARG A 60 65.573 124.063 71.264 1.00 61.80 H new ATOM 0 HH22 ARG A 60 66.697 125.255 70.602 1.00 61.80 H new ATOM 878 N THR A 61 64.856 118.805 76.002 1.00 0.00 N ATOM 879 CA THR A 61 63.793 117.775 76.212 1.00 0.00 C ATOM 880 C THR A 61 62.889 118.170 77.384 1.00 0.00 C ATOM 881 O THR A 61 63.304 118.873 78.286 1.00 0.00 O ATOM 882 CB THR A 61 64.543 116.472 76.511 1.00 0.00 C ATOM 883 OG1 THR A 61 63.606 115.431 76.747 1.00 0.00 O ATOM 884 CG2 THR A 61 65.431 116.650 77.747 1.00 0.00 C ATOM 0 H THR A 61 65.326 119.123 76.850 1.00 0.00 H new ATOM 0 HA THR A 61 63.145 117.672 75.342 1.00 0.00 H new ATOM 0 HB THR A 61 65.169 116.216 75.656 1.00 0.00 H new ATOM 0 HG1 THR A 61 62.741 115.675 76.356 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.960 115.719 77.952 1.00 0.00 H new ATOM 0 HG22 THR A 61 66.153 117.445 77.564 1.00 0.00 H new ATOM 0 HG23 THR A 61 64.812 116.912 78.605 1.00 0.00 H new ATOM 892 N GLU A 62 61.658 117.726 77.373 1.00 0.00 N ATOM 893 CA GLU A 62 60.721 118.077 78.481 1.00 0.00 C ATOM 894 C GLU A 62 60.191 116.807 79.152 1.00 0.00 C ATOM 895 O GLU A 62 59.617 115.943 78.513 1.00 0.00 O ATOM 896 CB GLU A 62 59.583 118.843 77.808 1.00 0.00 C ATOM 897 CG GLU A 62 58.671 119.449 78.878 1.00 0.00 C ATOM 898 CD GLU A 62 59.439 120.514 79.666 1.00 0.00 C ATOM 899 OE1 GLU A 62 60.293 121.159 79.080 1.00 0.00 O ATOM 900 OE2 GLU A 62 59.159 120.666 80.845 1.00 0.00 O ATOM 0 H GLU A 62 61.261 117.134 76.643 1.00 0.00 H new ATOM 0 HA GLU A 62 61.206 118.666 79.260 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.987 119.630 77.171 1.00 0.00 H new ATOM 0 HB3 GLU A 62 59.011 118.174 77.164 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.791 119.892 78.412 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.316 118.669 79.552 1.00 0.00 H new ATOM 907 N GLN A 63 60.386 116.693 80.440 1.00 0.00 N ATOM 908 CA GLN A 63 59.905 115.490 81.179 1.00 0.00 C ATOM 909 C GLN A 63 58.632 115.817 81.965 1.00 0.00 C ATOM 910 O GLN A 63 58.548 116.832 82.631 1.00 0.00 O ATOM 911 CB GLN A 63 61.043 115.155 82.145 1.00 0.00 C ATOM 912 CG GLN A 63 62.242 114.626 81.356 1.00 0.00 C ATOM 913 CD GLN A 63 63.381 114.291 82.321 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.620 115.011 83.270 1.00 0.00 O ATOM 915 NE2 GLN A 63 64.098 113.221 82.118 1.00 0.00 N ATOM 0 H GLN A 63 60.862 117.388 81.015 1.00 0.00 H new ATOM 0 HA GLN A 63 59.663 114.664 80.510 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.328 116.043 82.709 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.713 114.410 82.869 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.956 113.738 80.792 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.572 115.371 80.632 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.898 112.616 81.321 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.859 112.989 82.756 1.00 0.00 H new ATOM 924 N VAL A 64 57.643 114.964 81.890 1.00 37.94 N ATOM 925 CA VAL A 64 56.369 115.221 82.630 1.00 37.05 C ATOM 926 C VAL A 64 55.992 113.995 83.468 1.00 36.89 C ATOM 927 O VAL A 64 56.003 112.876 82.996 1.00 36.32 O ATOM 928 CB VAL A 64 55.319 115.493 81.548 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.963 115.771 82.201 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.740 116.711 80.721 1.00 35.74 C ATOM 0 H VAL A 64 57.662 114.100 81.348 1.00 37.94 H new ATOM 0 HA VAL A 64 56.453 116.060 83.321 1.00 37.05 H new ATOM 0 HB VAL A 64 55.238 114.620 80.901 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.219 115.964 81.428 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.658 114.906 82.790 1.00 37.01 H new ATOM 0 HG13 VAL A 64 54.044 116.642 82.852 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.993 116.904 79.951 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.824 117.581 81.372 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.704 116.516 80.250 1.00 35.74 H new ATOM 940 N ASP A 65 55.666 114.214 84.715 1.00 0.00 N ATOM 941 CA ASP A 65 55.290 113.085 85.617 1.00 0.00 C ATOM 942 C ASP A 65 53.913 113.340 86.235 1.00 0.00 C ATOM 943 O ASP A 65 53.676 114.372 86.834 1.00 0.00 O ATOM 944 CB ASP A 65 56.367 113.078 86.704 1.00 0.00 C ATOM 945 CG ASP A 65 56.219 111.822 87.566 1.00 0.00 C ATOM 946 OD1 ASP A 65 55.097 111.377 87.746 1.00 0.00 O ATOM 947 OD2 ASP A 65 57.231 111.327 88.035 1.00 0.00 O ATOM 0 H ASP A 65 55.644 115.136 85.151 1.00 0.00 H new ATOM 0 HA ASP A 65 55.232 112.134 85.088 1.00 0.00 H new ATOM 0 HB2 ASP A 65 57.357 113.104 86.249 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.277 113.970 87.324 1.00 0.00 H new ATOM 952 N GLY A 66 53.008 112.404 86.097 1.00 31.82 N ATOM 953 CA GLY A 66 51.646 112.583 86.680 1.00 29.07 C ATOM 954 C GLY A 66 51.088 111.220 87.093 1.00 27.67 C ATOM 955 O GLY A 66 51.397 110.208 86.492 1.00 27.18 O ATOM 0 H GLY A 66 53.155 111.523 85.605 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.692 113.246 87.544 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.985 113.053 85.952 1.00 29.07 H new ATOM 959 N GLU A 67 50.274 111.185 88.116 1.00 0.00 N ATOM 960 CA GLU A 67 49.694 109.885 88.574 1.00 0.00 C ATOM 961 C GLU A 67 48.542 109.459 87.655 1.00 0.00 C ATOM 962 O GLU A 67 47.908 110.280 87.020 1.00 0.00 O ATOM 963 CB GLU A 67 49.189 110.143 90.001 1.00 0.00 C ATOM 964 CG GLU A 67 48.130 111.253 89.998 1.00 0.00 C ATOM 965 CD GLU A 67 47.320 111.186 91.294 1.00 0.00 C ATOM 966 OE1 GLU A 67 46.336 110.466 91.318 1.00 0.00 O ATOM 967 OE2 GLU A 67 47.699 111.856 92.240 1.00 0.00 O ATOM 0 H GLU A 67 49.985 112.001 88.655 1.00 0.00 H new ATOM 0 HA GLU A 67 50.428 109.079 88.549 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.766 109.228 90.415 1.00 0.00 H new ATOM 0 HB3 GLU A 67 50.022 110.428 90.643 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.609 112.228 89.906 1.00 0.00 H new ATOM 0 HG3 GLU A 67 47.470 111.139 89.138 1.00 0.00 H new ATOM 974 N GLY A 68 48.262 108.180 87.591 1.00 22.62 N ATOM 975 CA GLY A 68 47.144 107.680 86.731 1.00 22.36 C ATOM 976 C GLY A 68 47.281 108.197 85.294 1.00 20.38 C ATOM 977 O GLY A 68 48.243 108.851 84.943 1.00 21.93 O ATOM 0 H GLY A 68 48.765 107.455 88.102 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.141 106.590 86.730 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.189 108.001 87.147 1.00 22.36 H new ATOM 981 N VAL A 69 46.308 107.907 84.471 1.00 17.51 N ATOM 982 CA VAL A 69 46.333 108.370 83.048 1.00 15.40 C ATOM 983 C VAL A 69 45.019 109.081 82.717 1.00 17.02 C ATOM 984 O VAL A 69 43.945 108.567 82.943 1.00 17.35 O ATOM 985 CB VAL A 69 46.506 107.111 82.182 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.924 106.567 82.354 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.494 106.030 82.588 1.00 8.21 C ATOM 0 H VAL A 69 45.485 107.361 84.726 1.00 17.51 H new ATOM 0 HA VAL A 69 47.144 109.075 82.866 1.00 15.40 H new ATOM 0 HB VAL A 69 46.333 107.379 81.140 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.048 105.674 81.741 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.644 107.324 82.043 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.092 106.314 83.401 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.634 105.148 81.963 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.648 105.762 83.633 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.482 106.412 82.456 1.00 8.21 H new ATOM 997 N VAL A 70 45.126 110.278 82.195 1.00 17.68 N ATOM 998 CA VAL A 70 43.932 111.119 81.829 1.00 16.81 C ATOM 999 C VAL A 70 42.820 111.033 82.898 1.00 17.08 C ATOM 1000 O VAL A 70 41.642 111.073 82.597 1.00 16.77 O ATOM 1001 CB VAL A 70 43.452 110.644 80.439 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.623 110.647 79.451 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.857 109.236 80.521 1.00 20.55 C ATOM 0 H VAL A 70 46.021 110.726 81.999 1.00 17.68 H new ATOM 0 HA VAL A 70 44.204 112.174 81.788 1.00 16.81 H new ATOM 0 HB VAL A 70 42.680 111.331 80.092 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.276 110.311 78.474 1.00 19.36 H new ATOM 0 HG12 VAL A 70 45.024 111.657 79.366 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.403 109.975 79.809 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.526 108.923 79.531 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.614 108.542 80.887 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.007 109.239 81.204 1.00 20.55 H new ATOM 1013 N GLY A 71 43.207 110.965 84.149 1.00 17.30 N ATOM 1014 CA GLY A 71 42.215 110.930 85.272 1.00 16.44 C ATOM 1015 C GLY A 71 41.661 109.521 85.539 1.00 18.03 C ATOM 1016 O GLY A 71 40.658 109.378 86.215 1.00 18.29 O ATOM 0 H GLY A 71 44.183 110.932 84.445 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.688 111.307 86.179 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.388 111.602 85.041 1.00 16.44 H new ATOM 1020 N GLU A 72 42.286 108.483 85.036 1.00 0.00 N ATOM 1021 CA GLU A 72 41.749 107.105 85.304 1.00 0.00 C ATOM 1022 C GLU A 72 42.866 106.062 85.420 1.00 0.00 C ATOM 1023 O GLU A 72 43.920 106.182 84.828 1.00 0.00 O ATOM 1024 CB GLU A 72 40.824 106.775 84.129 1.00 0.00 C ATOM 1025 CG GLU A 72 41.605 106.832 82.820 1.00 0.00 C ATOM 1026 CD GLU A 72 40.727 106.312 81.682 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.572 105.106 81.584 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.225 107.128 80.926 1.00 0.00 O ATOM 0 H GLU A 72 43.128 108.524 84.462 1.00 0.00 H new ATOM 0 HA GLU A 72 41.221 107.082 86.257 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.393 105.783 84.262 1.00 0.00 H new ATOM 0 HB3 GLU A 72 39.995 107.482 84.099 1.00 0.00 H new ATOM 0 HG2 GLU A 72 41.917 107.856 82.614 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.511 106.232 82.898 1.00 0.00 H new ATOM 1035 N GLN A 73 42.614 105.032 86.184 1.00 13.09 N ATOM 1036 CA GLN A 73 43.610 103.939 86.376 1.00 15.45 C ATOM 1037 C GLN A 73 43.039 102.637 85.791 1.00 15.30 C ATOM 1038 O GLN A 73 42.588 101.775 86.523 1.00 16.40 O ATOM 1039 CB GLN A 73 43.767 103.819 87.894 1.00 18.12 C ATOM 1040 CG GLN A 73 44.515 105.042 88.428 1.00 18.21 C ATOM 1041 CD GLN A 73 44.442 105.058 89.956 1.00 16.98 C ATOM 1042 OE1 GLN A 73 45.390 104.698 90.624 1.00 18.14 O ATOM 1043 NE2 GLN A 73 43.349 105.465 90.540 1.00 14.04 N ATOM 0 H GLN A 73 41.740 104.901 86.694 1.00 13.09 H new ATOM 0 HA GLN A 73 44.563 104.135 85.885 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.788 103.743 88.367 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.312 102.909 88.143 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.555 105.016 88.103 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.078 105.955 88.023 1.00 18.21 H new ATOM 0 HE21 GLN A 73 42.553 105.767 89.978 1.00 14.04 H new ATOM 0 HE22 GLN A 73 43.290 105.481 91.558 1.00 14.04 H new ATOM 1052 N PRO A 74 43.049 102.552 84.480 1.00 15.25 N ATOM 1053 CA PRO A 74 42.478 101.336 83.829 1.00 16.63 C ATOM 1054 C PRO A 74 43.168 100.050 84.303 1.00 17.41 C ATOM 1055 O PRO A 74 44.377 99.984 84.438 1.00 17.61 O ATOM 1056 CB PRO A 74 42.730 101.556 82.341 1.00 16.18 C ATOM 1057 CG PRO A 74 43.897 102.481 82.285 1.00 16.38 C ATOM 1058 CD PRO A 74 43.811 103.355 83.503 1.00 13.89 C ATOM 0 HA PRO A 74 41.423 101.208 84.073 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.946 100.616 81.833 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.858 101.990 81.852 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.833 101.923 82.274 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.873 103.081 81.375 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.802 103.606 83.882 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.306 104.295 83.282 1.00 13.89 H new ATOM 1066 N TRP A 75 42.388 99.022 84.524 1.00 0.00 N ATOM 1067 CA TRP A 75 42.944 97.706 84.960 1.00 0.00 C ATOM 1068 C TRP A 75 42.987 96.773 83.749 1.00 0.00 C ATOM 1069 O TRP A 75 42.145 95.908 83.589 1.00 0.00 O ATOM 1070 CB TRP A 75 41.951 97.191 86.005 1.00 0.00 C ATOM 1071 CG TRP A 75 42.637 96.232 86.925 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.464 96.583 87.936 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.564 94.776 86.943 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.907 95.436 88.570 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.380 94.297 87.995 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.876 93.834 86.156 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.509 92.933 88.257 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 42.005 92.460 86.418 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.819 92.011 87.467 1.00 0.00 C ATOM 0 H TRP A 75 41.374 99.040 84.419 1.00 0.00 H new ATOM 0 HA TRP A 75 43.953 97.773 85.368 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.542 98.026 86.574 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.112 96.700 85.512 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.734 97.594 88.204 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.545 95.432 89.366 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.245 94.169 85.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.138 92.592 89.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.474 91.745 85.807 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.912 90.953 87.664 1.00 0.00 H new ATOM 1090 N LEU A 76 43.940 96.970 82.877 1.00 18.07 N ATOM 1091 CA LEU A 76 44.026 96.127 81.645 1.00 17.96 C ATOM 1092 C LEU A 76 44.202 94.646 81.975 1.00 19.47 C ATOM 1093 O LEU A 76 45.190 94.237 82.555 1.00 20.57 O ATOM 1094 CB LEU A 76 45.245 96.646 80.881 1.00 16.79 C ATOM 1095 CG LEU A 76 44.804 97.692 79.855 1.00 17.27 C ATOM 1096 CD1 LEU A 76 46.034 98.272 79.161 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.899 97.037 78.808 1.00 15.14 C ATOM 0 H LEU A 76 44.666 97.681 82.964 1.00 18.07 H new ATOM 0 HA LEU A 76 43.107 96.198 81.064 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.962 97.084 81.575 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.750 95.821 80.379 1.00 16.79 H new ATOM 0 HG LEU A 76 44.258 98.487 80.363 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.722 99.017 78.430 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.683 98.740 79.901 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.577 97.473 78.656 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.586 97.784 78.079 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.445 96.242 78.301 1.00 15.14 H new ATOM 0 HD23 LEU A 76 43.020 96.618 79.298 1.00 15.14 H new ATOM 1109 N ARG A 77 43.256 93.838 81.574 1.00 0.00 N ATOM 1110 CA ARG A 77 43.355 92.371 81.815 1.00 0.00 C ATOM 1111 C ARG A 77 44.135 91.740 80.657 1.00 0.00 C ATOM 1112 O ARG A 77 44.217 92.324 79.592 1.00 0.00 O ATOM 1113 CB ARG A 77 41.908 91.873 81.833 1.00 0.00 C ATOM 1114 CG ARG A 77 41.261 92.224 83.175 1.00 0.00 C ATOM 1115 CD ARG A 77 40.300 91.106 83.589 1.00 0.00 C ATOM 1116 NE ARG A 77 39.262 91.075 82.521 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.762 89.935 82.130 1.00 0.00 C ATOM 1118 NH1 ARG A 77 39.537 89.033 81.592 1.00 0.00 N ATOM 1119 NH2 ARG A 77 37.488 89.697 82.279 1.00 0.00 N ATOM 0 H ARG A 77 42.412 94.136 81.085 1.00 0.00 H new ATOM 0 HA ARG A 77 43.870 92.118 82.742 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.346 92.328 81.017 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.882 90.795 81.676 1.00 0.00 H new ATOM 0 HG2 ARG A 77 42.029 92.358 83.937 1.00 0.00 H new ATOM 0 HG3 ARG A 77 40.723 93.169 83.095 1.00 0.00 H new ATOM 0 HD2 ARG A 77 40.817 90.149 83.665 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.857 91.307 84.564 1.00 0.00 H new ATOM 0 HE ARG A 77 38.942 91.945 82.095 1.00 0.00 H new ATOM 0 HH11 ARG A 77 40.533 89.219 81.477 1.00 0.00 H new ATOM 0 HH12 ARG A 77 39.146 88.142 81.286 1.00 0.00 H new ATOM 0 HH21 ARG A 77 36.883 90.402 82.701 1.00 0.00 H new ATOM 0 HH22 ARG A 77 37.096 88.806 81.974 1.00 0.00 H new ATOM 1133 N PRO A 78 44.695 90.573 80.889 1.00 23.86 N ATOM 1134 CA PRO A 78 45.474 89.927 79.787 1.00 24.22 C ATOM 1135 C PRO A 78 44.629 89.800 78.508 1.00 24.36 C ATOM 1136 O PRO A 78 43.519 89.302 78.527 1.00 22.27 O ATOM 1137 CB PRO A 78 45.843 88.555 80.342 1.00 25.39 C ATOM 1138 CG PRO A 78 44.807 88.275 81.374 1.00 27.04 C ATOM 1139 CD PRO A 78 44.423 89.604 81.967 1.00 25.13 C ATOM 0 HA PRO A 78 46.350 90.509 79.502 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.838 87.796 79.559 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.843 88.559 80.775 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.941 87.783 80.931 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.195 87.606 82.142 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.374 89.620 82.262 1.00 25.13 H new ATOM 0 HD3 PRO A 78 45.008 89.826 82.859 1.00 25.13 H new ATOM 1147 N GLY A 79 45.168 90.244 77.401 1.00 24.74 N ATOM 1148 CA GLY A 79 44.430 90.153 76.104 1.00 23.79 C ATOM 1149 C GLY A 79 43.581 91.411 75.862 1.00 23.44 C ATOM 1150 O GLY A 79 43.185 91.682 74.744 1.00 22.44 O ATOM 0 H GLY A 79 46.093 90.668 77.339 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.139 90.026 75.286 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.788 89.272 76.108 1.00 23.79 H new ATOM 1154 N GLU A 80 43.297 92.182 76.887 1.00 23.31 N ATOM 1155 CA GLU A 80 42.474 93.420 76.691 1.00 21.90 C ATOM 1156 C GLU A 80 43.368 94.611 76.335 1.00 20.95 C ATOM 1157 O GLU A 80 44.575 94.561 76.481 1.00 19.52 O ATOM 1158 CB GLU A 80 41.766 93.659 78.023 1.00 23.06 C ATOM 1159 CG GLU A 80 40.564 92.719 78.139 1.00 23.88 C ATOM 1160 CD GLU A 80 39.702 93.127 79.338 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.669 94.306 79.650 1.00 29.38 O ATOM 1162 OE2 GLU A 80 39.090 92.250 79.926 1.00 25.91 O ATOM 0 H GLU A 80 43.598 92.009 77.846 1.00 23.31 H new ATOM 0 HA GLU A 80 41.763 93.305 75.873 1.00 21.90 H new ATOM 0 HB2 GLU A 80 42.456 93.488 78.849 1.00 23.06 H new ATOM 0 HB3 GLU A 80 41.438 94.696 78.091 1.00 23.06 H new ATOM 0 HG2 GLU A 80 39.972 92.756 77.224 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.905 91.690 78.257 1.00 23.88 H new ATOM 1169 N ALA A 81 42.776 95.683 75.866 1.00 0.00 N ATOM 1170 CA ALA A 81 43.575 96.887 75.491 1.00 0.00 C ATOM 1171 C ALA A 81 42.789 98.166 75.810 1.00 0.00 C ATOM 1172 O ALA A 81 41.576 98.200 75.718 1.00 0.00 O ATOM 1173 CB ALA A 81 43.807 96.758 73.985 1.00 0.00 C ATOM 0 H ALA A 81 41.770 95.774 75.727 1.00 0.00 H new ATOM 0 HA ALA A 81 44.514 96.947 76.042 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.390 97.609 73.632 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.350 95.836 73.778 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.847 96.737 73.469 1.00 0.00 H new ATOM 1179 N PHE A 82 43.478 99.220 76.166 1.00 18.56 N ATOM 1180 CA PHE A 82 42.790 100.511 76.475 1.00 17.00 C ATOM 1181 C PHE A 82 43.229 101.570 75.455 1.00 16.61 C ATOM 1182 O PHE A 82 44.367 101.577 75.026 1.00 15.77 O ATOM 1183 CB PHE A 82 43.256 100.884 77.887 1.00 13.41 C ATOM 1184 CG PHE A 82 42.638 102.202 78.294 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.345 102.233 78.830 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.356 103.393 78.129 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.771 103.455 79.202 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.782 104.614 78.501 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.489 104.645 79.037 1.00 9.06 C ATOM 0 H PHE A 82 44.494 99.242 76.257 1.00 18.56 H new ATOM 0 HA PHE A 82 41.704 100.439 76.424 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.971 100.104 78.593 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.343 100.957 77.915 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.790 101.315 78.957 1.00 10.24 H new ATOM 0 HD2 PHE A 82 44.353 103.369 77.715 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.774 103.479 79.616 1.00 10.01 H new ATOM 0 HE2 PHE A 82 43.336 105.532 78.375 1.00 8.77 H new ATOM 0 HZ PHE A 82 41.046 105.587 79.323 1.00 9.06 H new ATOM 1199 N HIS A 83 42.347 102.455 75.059 1.00 0.00 N ATOM 1200 CA HIS A 83 42.741 103.498 74.058 1.00 0.00 C ATOM 1201 C HIS A 83 42.046 104.835 74.349 1.00 0.00 C ATOM 1202 O HIS A 83 40.882 104.879 74.695 1.00 0.00 O ATOM 1203 CB HIS A 83 42.294 102.940 72.700 1.00 0.00 C ATOM 1204 CG HIS A 83 40.807 102.690 72.703 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.891 103.683 72.394 1.00 0.00 N ATOM 1206 CD2 HIS A 83 40.066 101.567 72.977 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.662 103.143 72.486 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.711 101.856 72.839 1.00 0.00 N ATOM 0 H HIS A 83 41.380 102.502 75.381 1.00 0.00 H new ATOM 0 HA HIS A 83 43.812 103.698 74.087 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.550 103.643 71.908 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.826 102.013 72.487 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.472 100.606 73.257 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.747 103.685 72.297 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.925 101.221 72.978 1.00 0.00 H new ATOM 1216 N TYR A 84 42.757 105.922 74.182 1.00 21.96 N ATOM 1217 CA TYR A 84 42.155 107.269 74.415 1.00 22.81 C ATOM 1218 C TYR A 84 42.836 108.301 73.502 1.00 25.11 C ATOM 1219 O TYR A 84 43.925 108.073 73.008 1.00 26.65 O ATOM 1220 CB TYR A 84 42.375 107.578 75.905 1.00 19.35 C ATOM 1221 CG TYR A 84 43.845 107.753 76.216 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.629 106.643 76.552 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.419 109.031 76.184 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.986 106.809 76.853 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.776 109.196 76.487 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.559 108.085 76.821 1.00 12.19 C ATOM 1227 OH TYR A 84 47.896 108.248 77.119 1.00 13.46 O ATOM 0 H TYR A 84 43.735 105.933 73.892 1.00 21.96 H new ATOM 0 HA TYR A 84 41.091 107.301 74.179 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.833 108.484 76.175 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.966 106.770 76.511 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.187 105.658 76.579 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.815 109.888 75.926 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.591 105.952 77.110 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.219 110.181 76.463 1.00 14.00 H new ATOM 0 HH TYR A 84 48.134 109.196 77.049 1.00 13.46 H new ATOM 1237 N THR A 85 42.201 109.421 73.267 1.00 26.58 N ATOM 1238 CA THR A 85 42.809 110.455 72.373 1.00 26.99 C ATOM 1239 C THR A 85 43.388 111.614 73.193 1.00 28.14 C ATOM 1240 O THR A 85 42.793 112.066 74.153 1.00 27.02 O ATOM 1241 CB THR A 85 41.656 110.945 71.497 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.069 109.836 70.829 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.184 111.943 70.465 1.00 21.76 C ATOM 0 H THR A 85 41.289 109.665 73.654 1.00 26.58 H new ATOM 0 HA THR A 85 43.632 110.050 71.785 1.00 26.99 H new ATOM 0 HB THR A 85 40.907 111.434 72.120 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.328 110.147 70.268 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.361 112.291 69.841 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.635 112.792 70.978 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.933 111.457 69.839 1.00 21.76 H new ATOM 1251 N SER A 86 44.545 112.097 72.810 1.00 29.06 N ATOM 1252 CA SER A 86 45.173 113.229 73.554 1.00 29.05 C ATOM 1253 C SER A 86 45.463 114.390 72.593 1.00 29.43 C ATOM 1254 O SER A 86 45.414 114.225 71.385 1.00 29.12 O ATOM 1255 CB SER A 86 46.477 112.657 74.104 1.00 29.12 C ATOM 1256 OG SER A 86 47.279 113.720 74.599 1.00 33.88 O ATOM 0 H SER A 86 45.081 111.754 72.013 1.00 29.06 H new ATOM 0 HA SER A 86 44.530 113.618 74.343 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.268 111.942 74.900 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.010 112.117 73.322 1.00 29.12 H new ATOM 0 HG SER A 86 48.080 113.813 74.042 1.00 33.88 H new ATOM 1262 N GLY A 87 45.778 115.554 73.110 1.00 29.08 N ATOM 1263 CA GLY A 87 46.073 116.713 72.213 1.00 29.89 C ATOM 1264 C GLY A 87 47.184 117.578 72.817 1.00 31.80 C ATOM 1265 O GLY A 87 47.047 118.120 73.897 1.00 31.40 O ATOM 0 H GLY A 87 45.843 115.750 74.109 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.376 116.354 71.229 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.173 117.311 72.071 1.00 29.89 H new ATOM 1269 N VAL A 88 48.282 117.713 72.116 1.00 0.00 N ATOM 1270 CA VAL A 88 49.415 118.547 72.626 1.00 0.00 C ATOM 1271 C VAL A 88 49.928 119.474 71.517 1.00 0.00 C ATOM 1272 O VAL A 88 49.807 119.176 70.343 1.00 0.00 O ATOM 1273 CB VAL A 88 50.500 117.548 73.045 1.00 0.00 C ATOM 1274 CG1 VAL A 88 49.968 116.666 74.174 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.891 116.669 71.852 1.00 0.00 C ATOM 0 H VAL A 88 48.444 117.279 71.207 1.00 0.00 H new ATOM 0 HA VAL A 88 49.115 119.183 73.458 1.00 0.00 H new ATOM 0 HB VAL A 88 51.378 118.095 73.388 1.00 0.00 H new ATOM 0 HG11 VAL A 88 50.738 115.955 74.474 1.00 0.00 H new ATOM 0 HG12 VAL A 88 49.698 117.289 75.026 1.00 0.00 H new ATOM 0 HG13 VAL A 88 49.088 116.124 73.828 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.662 115.962 72.158 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.016 116.122 71.501 1.00 0.00 H new ATOM 0 HG23 VAL A 88 51.273 117.297 71.047 1.00 0.00 H new ATOM 1285 N LEU A 89 50.493 120.598 71.884 1.00 0.00 N ATOM 1286 CA LEU A 89 51.010 121.551 70.854 1.00 0.00 C ATOM 1287 C LEU A 89 52.545 121.563 70.849 1.00 0.00 C ATOM 1288 O LEU A 89 53.176 121.457 71.885 1.00 0.00 O ATOM 1289 CB LEU A 89 50.449 122.923 71.256 1.00 0.00 C ATOM 1290 CG LEU A 89 50.993 123.343 72.636 1.00 0.00 C ATOM 1291 CD1 LEU A 89 51.949 124.529 72.476 1.00 0.00 C ATOM 1292 CD2 LEU A 89 49.831 123.753 73.547 1.00 0.00 C ATOM 0 H LEU A 89 50.618 120.896 72.851 1.00 0.00 H new ATOM 0 HA LEU A 89 50.703 121.270 69.847 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.722 123.668 70.508 1.00 0.00 H new ATOM 0 HB3 LEU A 89 49.360 122.884 71.284 1.00 0.00 H new ATOM 0 HG LEU A 89 51.526 122.502 73.079 1.00 0.00 H new ATOM 0 HD11 LEU A 89 52.331 124.823 73.454 1.00 0.00 H new ATOM 0 HD12 LEU A 89 52.781 124.242 71.833 1.00 0.00 H new ATOM 0 HD13 LEU A 89 51.416 125.368 72.028 1.00 0.00 H new ATOM 0 HD21 LEU A 89 50.220 124.049 74.521 1.00 0.00 H new ATOM 0 HD22 LEU A 89 49.296 124.591 73.100 1.00 0.00 H new ATOM 0 HD23 LEU A 89 49.150 122.911 73.669 1.00 0.00 H new ATOM 1304 N LEU A 90 53.146 121.683 69.691 1.00 37.85 N ATOM 1305 CA LEU A 90 54.639 121.692 69.617 1.00 36.74 C ATOM 1306 C LEU A 90 55.130 122.954 68.901 1.00 35.30 C ATOM 1307 O LEU A 90 54.501 123.426 67.973 1.00 35.10 O ATOM 1308 CB LEU A 90 54.992 120.450 68.799 1.00 38.41 C ATOM 1309 CG LEU A 90 54.853 119.205 69.675 1.00 38.68 C ATOM 1310 CD1 LEU A 90 54.808 117.959 68.788 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.053 119.112 70.620 1.00 38.08 C ATOM 0 H LEU A 90 52.667 121.775 68.795 1.00 37.85 H new ATOM 0 HA LEU A 90 55.102 121.687 70.604 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.335 120.373 67.933 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.011 120.529 68.420 1.00 38.41 H new ATOM 0 HG LEU A 90 53.934 119.271 70.257 1.00 38.68 H new ATOM 0 HD11 LEU A 90 54.709 117.071 69.413 1.00 37.80 H new ATOM 0 HD12 LEU A 90 53.955 118.024 68.112 1.00 37.80 H new ATOM 0 HD13 LEU A 90 55.728 117.893 68.207 1.00 37.80 H new ATOM 0 HD21 LEU A 90 55.956 118.225 71.246 1.00 38.08 H new ATOM 0 HD22 LEU A 90 56.971 119.046 70.037 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.088 119.999 71.252 1.00 38.08 H new ATOM 1323 N GLU A 91 56.248 123.501 69.309 1.00 0.00 N ATOM 1324 CA GLU A 91 56.775 124.728 68.633 1.00 0.00 C ATOM 1325 C GLU A 91 57.678 124.342 67.450 1.00 0.00 C ATOM 1326 O GLU A 91 57.921 125.135 66.561 1.00 0.00 O ATOM 1327 CB GLU A 91 57.582 125.456 69.709 1.00 0.00 C ATOM 1328 CG GLU A 91 58.129 126.771 69.141 1.00 0.00 C ATOM 1329 CD GLU A 91 58.941 127.511 70.213 1.00 0.00 C ATOM 1330 OE1 GLU A 91 58.752 127.226 71.386 1.00 0.00 O ATOM 1331 OE2 GLU A 91 59.737 128.357 69.840 1.00 0.00 O ATOM 0 H GLU A 91 56.818 123.152 70.079 1.00 0.00 H new ATOM 0 HA GLU A 91 55.977 125.351 68.229 1.00 0.00 H new ATOM 0 HB2 GLU A 91 56.953 125.657 70.576 1.00 0.00 H new ATOM 0 HB3 GLU A 91 58.403 124.826 70.050 1.00 0.00 H new ATOM 0 HG2 GLU A 91 58.757 126.568 68.273 1.00 0.00 H new ATOM 0 HG3 GLU A 91 57.306 127.399 68.799 1.00 0.00 H new ATOM 1338 N THR A 92 58.175 123.129 67.438 1.00 31.63 N ATOM 1339 CA THR A 92 59.064 122.677 66.324 1.00 28.98 C ATOM 1340 C THR A 92 58.294 121.774 65.357 1.00 28.33 C ATOM 1341 O THR A 92 57.577 120.886 65.778 1.00 29.20 O ATOM 1342 CB THR A 92 60.167 121.868 67.014 1.00 29.53 C ATOM 1343 OG1 THR A 92 59.609 121.094 68.069 1.00 29.23 O ATOM 1344 CG2 THR A 92 61.220 122.823 67.578 1.00 25.50 C ATOM 0 H THR A 92 58.001 122.428 68.158 1.00 31.63 H new ATOM 0 HA THR A 92 59.452 123.515 65.745 1.00 28.98 H new ATOM 0 HB THR A 92 60.632 121.200 66.289 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.169 120.306 68.228 1.00 29.23 H new ATOM 0 HG21 THR A 92 62.006 122.249 68.069 1.00 25.50 H new ATOM 0 HG22 THR A 92 61.652 123.409 66.767 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.754 123.493 68.301 1.00 25.50 H new ATOM 1352 N GLU A 93 58.436 121.981 64.069 1.00 0.00 N ATOM 1353 CA GLU A 93 57.705 121.110 63.095 1.00 0.00 C ATOM 1354 C GLU A 93 58.402 119.745 62.958 1.00 0.00 C ATOM 1355 O GLU A 93 57.920 118.869 62.263 1.00 0.00 O ATOM 1356 CB GLU A 93 57.735 121.870 61.769 1.00 0.00 C ATOM 1357 CG GLU A 93 56.912 123.152 61.894 1.00 0.00 C ATOM 1358 CD GLU A 93 56.942 123.912 60.567 1.00 0.00 C ATOM 1359 OE1 GLU A 93 57.925 124.589 60.317 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.980 123.804 59.824 1.00 0.00 O ATOM 0 H GLU A 93 59.020 122.707 63.654 1.00 0.00 H new ATOM 0 HA GLU A 93 56.685 120.906 63.420 1.00 0.00 H new ATOM 0 HB2 GLU A 93 58.763 122.111 61.500 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.334 121.245 60.971 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.884 122.911 62.164 1.00 0.00 H new ATOM 0 HG3 GLU A 93 57.313 123.777 62.692 1.00 0.00 H new ATOM 1367 N GLN A 94 59.517 119.548 63.625 1.00 0.00 N ATOM 1368 CA GLN A 94 60.223 118.235 63.546 1.00 0.00 C ATOM 1369 C GLN A 94 60.719 117.856 64.943 1.00 0.00 C ATOM 1370 O GLN A 94 61.171 118.715 65.679 1.00 0.00 O ATOM 1371 CB GLN A 94 61.404 118.477 62.605 1.00 0.00 C ATOM 1372 CG GLN A 94 60.887 118.677 61.179 1.00 0.00 C ATOM 1373 CD GLN A 94 62.068 118.919 60.237 1.00 0.00 C ATOM 1374 OE1 GLN A 94 63.013 119.599 60.590 1.00 0.00 O ATOM 1375 NE2 GLN A 94 62.055 118.390 59.044 1.00 0.00 N ATOM 0 H GLN A 94 59.966 120.244 64.221 1.00 0.00 H new ATOM 0 HA GLN A 94 59.585 117.427 63.187 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.965 119.355 62.926 1.00 0.00 H new ATOM 0 HB3 GLN A 94 62.090 117.630 62.639 1.00 0.00 H new ATOM 0 HG2 GLN A 94 60.326 117.799 60.858 1.00 0.00 H new ATOM 0 HG3 GLN A 94 60.201 119.524 61.145 1.00 0.00 H new ATOM 0 HE21 GLN A 94 61.263 117.820 58.748 1.00 0.00 H new ATOM 0 HE22 GLN A 94 62.837 118.547 58.408 1.00 0.00 H new ATOM 1384 N GLY A 95 60.645 116.601 65.334 1.00 27.89 N ATOM 1385 CA GLY A 95 61.133 116.252 66.708 1.00 28.05 C ATOM 1386 C GLY A 95 60.987 114.759 67.023 1.00 27.70 C ATOM 1387 O GLY A 95 60.308 114.018 66.341 1.00 25.89 O ATOM 0 H GLY A 95 60.280 115.827 64.780 1.00 27.89 H new ATOM 0 HA2 GLY A 95 62.180 116.539 66.801 1.00 28.05 H new ATOM 0 HA3 GLY A 95 60.577 116.831 67.445 1.00 28.05 H new ATOM 1391 N GLN A 96 61.635 114.335 68.082 1.00 0.00 N ATOM 1392 CA GLN A 96 61.575 112.903 68.514 1.00 0.00 C ATOM 1393 C GLN A 96 60.943 112.816 69.908 1.00 0.00 C ATOM 1394 O GLN A 96 61.337 113.528 70.812 1.00 0.00 O ATOM 1395 CB GLN A 96 63.037 112.437 68.593 1.00 0.00 C ATOM 1396 CG GLN A 96 63.766 112.729 67.277 1.00 0.00 C ATOM 1397 CD GLN A 96 64.769 111.612 66.986 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.426 110.447 67.024 1.00 0.00 O ATOM 1399 NE2 GLN A 96 66.004 111.919 66.696 1.00 0.00 N ATOM 0 H GLN A 96 62.212 114.931 68.675 1.00 0.00 H new ATOM 0 HA GLN A 96 60.984 112.295 67.829 1.00 0.00 H new ATOM 0 HB2 GLN A 96 63.542 112.943 69.415 1.00 0.00 H new ATOM 0 HB3 GLN A 96 63.073 111.369 68.806 1.00 0.00 H new ATOM 0 HG2 GLN A 96 63.047 112.807 66.461 1.00 0.00 H new ATOM 0 HG3 GLN A 96 64.282 113.687 67.340 1.00 0.00 H new ATOM 0 HE21 GLN A 96 66.292 112.897 66.664 1.00 0.00 H new ATOM 0 HE22 GLN A 96 66.681 111.181 66.501 1.00 0.00 H new ATOM 1408 N MET A 97 59.965 111.966 70.089 1.00 0.00 N ATOM 1409 CA MET A 97 59.310 111.859 71.430 1.00 0.00 C ATOM 1410 C MET A 97 59.309 110.411 71.935 1.00 0.00 C ATOM 1411 O MET A 97 58.741 109.531 71.319 1.00 0.00 O ATOM 1412 CB MET A 97 57.879 112.339 71.196 1.00 0.00 C ATOM 1413 CG MET A 97 57.880 113.845 70.929 1.00 0.00 C ATOM 1414 SD MET A 97 56.190 114.401 70.596 1.00 0.00 S ATOM 1415 CE MET A 97 55.543 114.187 72.273 1.00 0.00 C ATOM 0 H MET A 97 59.592 111.344 69.372 1.00 0.00 H new ATOM 0 HA MET A 97 59.834 112.445 72.185 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.441 111.810 70.350 1.00 0.00 H new ATOM 0 HB3 MET A 97 57.262 112.114 72.066 1.00 0.00 H new ATOM 0 HG2 MET A 97 58.286 114.377 71.789 1.00 0.00 H new ATOM 0 HG3 MET A 97 58.523 114.074 70.079 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.473 113.986 72.227 1.00 0.00 H new ATOM 0 HE2 MET A 97 56.049 113.350 72.754 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.717 115.096 72.849 1.00 0.00 H new ATOM 1425 N GLN A 98 59.926 110.165 73.066 1.00 0.00 N ATOM 1426 CA GLN A 98 59.958 108.788 73.645 1.00 0.00 C ATOM 1427 C GLN A 98 59.356 108.836 75.050 1.00 0.00 C ATOM 1428 O GLN A 98 59.409 109.862 75.704 1.00 0.00 O ATOM 1429 CB GLN A 98 61.441 108.428 73.724 1.00 0.00 C ATOM 1430 CG GLN A 98 61.937 107.995 72.347 1.00 0.00 C ATOM 1431 CD GLN A 98 63.439 107.713 72.407 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.866 106.488 72.272 1.00 0.00 O flip ATOM 1433 NE2 GLN A 98 64.232 108.617 72.582 1.00 0.00 N flip ATOM 0 H GLN A 98 60.414 110.870 73.618 1.00 0.00 H new ATOM 0 HA GLN A 98 59.397 108.063 73.056 1.00 0.00 H new ATOM 0 HB2 GLN A 98 62.015 109.285 74.076 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.593 107.625 74.445 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.402 107.103 72.021 1.00 0.00 H new ATOM 0 HG3 GLN A 98 61.732 108.775 71.614 1.00 0.00 H new ATOM 0 HE21 GLN A 98 63.898 109.575 72.688 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.232 108.418 72.623 1.00 0.00 H new ATOM 1442 N GLY A 99 58.778 107.756 75.525 1.00 29.62 N ATOM 1443 CA GLY A 99 58.178 107.803 76.897 1.00 28.62 C ATOM 1444 C GLY A 99 58.007 106.400 77.470 1.00 28.62 C ATOM 1445 O GLY A 99 58.224 105.412 76.798 1.00 29.22 O ATOM 0 H GLY A 99 58.697 106.865 75.036 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.815 108.393 77.556 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.210 108.303 76.857 1.00 28.62 H new ATOM 1449 N HIS A 100 57.615 106.312 78.717 1.00 0.00 N ATOM 1450 CA HIS A 100 57.414 104.979 79.351 1.00 0.00 C ATOM 1451 C HIS A 100 56.123 104.984 80.178 1.00 0.00 C ATOM 1452 O HIS A 100 55.648 106.024 80.594 1.00 0.00 O ATOM 1453 CB HIS A 100 58.632 104.767 80.251 1.00 0.00 C ATOM 1454 CG HIS A 100 59.872 104.637 79.410 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.445 105.721 78.763 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.663 103.558 79.107 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.533 105.274 78.108 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.711 103.962 78.284 1.00 0.00 N ATOM 0 H HIS A 100 57.426 107.111 79.323 1.00 0.00 H new ATOM 0 HA HIS A 100 57.320 104.182 78.614 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.736 105.605 80.941 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.497 103.871 80.856 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.498 102.549 79.454 1.00 0.00 H new ATOM 0 HE1 HIS A 100 62.182 105.900 77.513 1.00 0.00 H new ATOM 0 HE2 HIS A 100 62.455 103.381 77.898 1.00 0.00 H new ATOM 1466 N TYR A 101 55.556 103.831 80.408 1.00 25.77 N ATOM 1467 CA TYR A 101 54.292 103.752 81.202 1.00 25.79 C ATOM 1468 C TYR A 101 54.533 102.961 82.489 1.00 26.52 C ATOM 1469 O TYR A 101 54.997 101.838 82.444 1.00 27.05 O ATOM 1470 CB TYR A 101 53.301 103.000 80.305 1.00 24.67 C ATOM 1471 CG TYR A 101 52.719 103.918 79.247 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.292 105.215 79.574 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.606 103.460 77.928 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.753 106.045 78.583 1.00 23.58 C ATOM 1475 CE2 TYR A 101 52.069 104.291 76.939 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.642 105.583 77.266 1.00 23.58 C ATOM 1477 OH TYR A 101 51.110 106.399 76.290 1.00 25.91 O ATOM 0 H TYR A 101 55.914 102.934 80.079 1.00 25.77 H new ATOM 0 HA TYR A 101 53.923 104.738 81.486 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.804 102.160 79.826 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.497 102.585 80.913 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.379 105.572 80.589 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.934 102.463 77.674 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.423 107.042 78.835 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.984 103.935 75.923 1.00 24.17 H new ATOM 0 HH TYR A 101 51.659 107.206 76.203 1.00 25.91 H new ATOM 1487 N ASP A 102 54.185 103.502 83.632 1.00 0.00 N ATOM 1488 CA ASP A 102 54.360 102.734 84.900 1.00 0.00 C ATOM 1489 C ASP A 102 53.145 101.826 85.086 1.00 0.00 C ATOM 1490 O ASP A 102 52.017 102.275 85.156 1.00 0.00 O ATOM 1491 CB ASP A 102 54.463 103.773 86.018 1.00 0.00 C ATOM 1492 CG ASP A 102 55.793 104.524 85.900 1.00 0.00 C ATOM 1493 OD1 ASP A 102 56.761 103.913 85.479 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.819 105.696 86.235 1.00 0.00 O ATOM 0 H ASP A 102 53.790 104.436 83.739 1.00 0.00 H new ATOM 0 HA ASP A 102 55.249 102.103 84.897 1.00 0.00 H new ATOM 0 HB2 ASP A 102 53.631 104.474 85.954 1.00 0.00 H new ATOM 0 HB3 ASP A 102 54.395 103.284 86.990 1.00 0.00 H new ATOM 1499 N MET A 103 53.384 100.544 85.143 1.00 0.00 N ATOM 1500 CA MET A 103 52.274 99.562 85.299 1.00 0.00 C ATOM 1501 C MET A 103 52.497 98.686 86.533 1.00 0.00 C ATOM 1502 O MET A 103 53.593 98.604 87.055 1.00 0.00 O ATOM 1503 CB MET A 103 52.345 98.717 84.028 1.00 0.00 C ATOM 1504 CG MET A 103 50.955 98.182 83.693 1.00 0.00 C ATOM 1505 SD MET A 103 50.798 97.976 81.903 1.00 0.00 S ATOM 1506 CE MET A 103 50.126 99.618 81.545 1.00 0.00 C ATOM 0 H MET A 103 54.315 100.130 85.087 1.00 0.00 H new ATOM 0 HA MET A 103 51.306 100.044 85.433 1.00 0.00 H new ATOM 0 HB2 MET A 103 52.724 99.317 83.201 1.00 0.00 H new ATOM 0 HB3 MET A 103 53.041 97.890 84.167 1.00 0.00 H new ATOM 0 HG2 MET A 103 50.791 97.228 84.195 1.00 0.00 H new ATOM 0 HG3 MET A 103 50.192 98.870 84.058 1.00 0.00 H new ATOM 0 HE1 MET A 103 50.356 99.888 80.514 1.00 0.00 H new ATOM 0 HE2 MET A 103 49.045 99.607 81.685 1.00 0.00 H new ATOM 0 HE3 MET A 103 50.572 100.349 82.220 1.00 0.00 H new ATOM 1516 N VAL A 104 51.462 98.034 87.000 1.00 21.01 N ATOM 1517 CA VAL A 104 51.605 97.158 88.204 1.00 21.69 C ATOM 1518 C VAL A 104 50.767 95.886 88.045 1.00 22.60 C ATOM 1519 O VAL A 104 49.590 95.942 87.738 1.00 22.32 O ATOM 1520 CB VAL A 104 51.081 97.984 89.392 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.083 99.088 89.729 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.717 98.606 89.059 1.00 23.28 C ATOM 0 H VAL A 104 50.524 98.070 86.600 1.00 21.01 H new ATOM 0 HA VAL A 104 52.641 96.851 88.348 1.00 21.69 H new ATOM 0 HB VAL A 104 50.960 97.324 90.251 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.711 99.672 90.570 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.042 98.641 89.993 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.212 99.739 88.864 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.364 99.186 89.912 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.817 99.259 88.192 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.001 97.815 88.837 1.00 23.28 H new ATOM 1532 N ALA A 105 51.360 94.743 88.270 1.00 0.00 N ATOM 1533 CA ALA A 105 50.599 93.460 88.155 1.00 0.00 C ATOM 1534 C ALA A 105 49.662 93.313 89.353 1.00 0.00 C ATOM 1535 O ALA A 105 49.775 94.032 90.329 1.00 0.00 O ATOM 1536 CB ALA A 105 51.663 92.360 88.169 1.00 0.00 C ATOM 0 H ALA A 105 52.341 94.641 88.529 1.00 0.00 H new ATOM 0 HA ALA A 105 49.987 93.416 87.254 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.180 91.386 88.088 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.342 92.500 87.328 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.226 92.410 89.101 1.00 0.00 H new ATOM 1542 N ASP A 106 48.730 92.394 89.284 1.00 0.00 N ATOM 1543 CA ASP A 106 47.777 92.213 90.424 1.00 0.00 C ATOM 1544 C ASP A 106 48.520 91.700 91.661 1.00 0.00 C ATOM 1545 O ASP A 106 48.137 91.979 92.781 1.00 0.00 O ATOM 1546 CB ASP A 106 46.762 91.175 89.940 1.00 0.00 C ATOM 1547 CG ASP A 106 45.596 91.095 90.929 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.831 91.289 92.112 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.487 90.841 90.489 1.00 0.00 O ATOM 0 H ASP A 106 48.588 91.765 88.494 1.00 0.00 H new ATOM 0 HA ASP A 106 47.296 93.149 90.707 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.394 91.445 88.950 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.240 90.200 89.847 1.00 0.00 H new ATOM 1554 N ASP A 107 49.573 90.946 91.466 1.00 0.00 N ATOM 1555 CA ASP A 107 50.338 90.406 92.635 1.00 0.00 C ATOM 1556 C ASP A 107 51.191 91.499 93.294 1.00 0.00 C ATOM 1557 O ASP A 107 51.815 91.266 94.314 1.00 0.00 O ATOM 1558 CB ASP A 107 51.233 89.310 92.052 1.00 0.00 C ATOM 1559 CG ASP A 107 51.866 88.507 93.191 1.00 0.00 C ATOM 1560 OD1 ASP A 107 52.779 89.023 93.816 1.00 0.00 O ATOM 1561 OD2 ASP A 107 51.428 87.392 93.418 1.00 0.00 O ATOM 0 H ASP A 107 49.936 90.681 90.551 1.00 0.00 H new ATOM 0 HA ASP A 107 49.671 90.029 93.410 1.00 0.00 H new ATOM 0 HB2 ASP A 107 50.648 88.651 91.410 1.00 0.00 H new ATOM 0 HB3 ASP A 107 52.010 89.753 91.430 1.00 0.00 H new ATOM 1566 N GLY A 108 51.226 92.686 92.734 1.00 30.43 N ATOM 1567 CA GLY A 108 52.040 93.779 93.344 1.00 29.11 C ATOM 1568 C GLY A 108 53.370 93.943 92.594 1.00 29.35 C ATOM 1569 O GLY A 108 54.093 94.895 92.822 1.00 30.17 O ATOM 0 H GLY A 108 50.726 92.942 91.883 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.482 94.715 93.316 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.233 93.555 94.393 1.00 29.11 H new ATOM 1573 N THR A 109 53.705 93.032 91.706 1.00 0.00 N ATOM 1574 CA THR A 109 54.999 93.155 90.955 1.00 0.00 C ATOM 1575 C THR A 109 55.044 94.491 90.204 1.00 0.00 C ATOM 1576 O THR A 109 54.079 94.884 89.573 1.00 0.00 O ATOM 1577 CB THR A 109 55.003 91.988 89.965 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.803 90.771 90.671 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.345 91.942 89.233 1.00 0.00 C ATOM 0 H THR A 109 53.142 92.214 91.470 1.00 0.00 H new ATOM 0 HA THR A 109 55.864 93.127 91.618 1.00 0.00 H new ATOM 0 HB THR A 109 54.201 92.123 89.239 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.592 90.055 90.036 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.347 91.110 88.528 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.497 92.876 88.692 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.149 91.806 89.956 1.00 0.00 H new ATOM 1587 N GLU A 110 56.147 95.196 90.273 1.00 0.00 N ATOM 1588 CA GLU A 110 56.234 96.510 89.566 1.00 0.00 C ATOM 1589 C GLU A 110 57.017 96.372 88.258 1.00 0.00 C ATOM 1590 O GLU A 110 58.016 95.682 88.188 1.00 0.00 O ATOM 1591 CB GLU A 110 56.962 97.440 90.538 1.00 0.00 C ATOM 1592 CG GLU A 110 56.050 97.751 91.727 1.00 0.00 C ATOM 1593 CD GLU A 110 56.778 98.681 92.699 1.00 0.00 C ATOM 1594 OE1 GLU A 110 57.541 98.181 93.508 1.00 0.00 O ATOM 1595 OE2 GLU A 110 56.560 99.879 92.617 1.00 0.00 O ATOM 0 H GLU A 110 56.985 94.920 90.785 1.00 0.00 H new ATOM 0 HA GLU A 110 55.250 96.893 89.297 1.00 0.00 H new ATOM 0 HB2 GLU A 110 57.883 96.972 90.885 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.245 98.363 90.032 1.00 0.00 H new ATOM 0 HG2 GLU A 110 55.129 98.219 91.380 1.00 0.00 H new ATOM 0 HG3 GLU A 110 55.767 96.828 92.233 1.00 0.00 H new ATOM 1602 N PHE A 111 56.567 97.035 87.224 1.00 27.41 N ATOM 1603 CA PHE A 111 57.269 96.969 85.908 1.00 27.50 C ATOM 1604 C PHE A 111 56.784 98.108 85.002 1.00 28.03 C ATOM 1605 O PHE A 111 55.625 98.480 85.018 1.00 27.72 O ATOM 1606 CB PHE A 111 56.929 95.583 85.327 1.00 26.12 C ATOM 1607 CG PHE A 111 55.472 95.506 84.915 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.495 95.142 85.849 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.106 95.796 83.595 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.151 95.067 85.461 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.763 95.721 83.208 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.786 95.357 84.140 1.00 23.73 C ATOM 0 H PHE A 111 55.735 97.625 87.236 1.00 27.41 H new ATOM 0 HA PHE A 111 58.348 97.090 86.000 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.565 95.381 84.465 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.142 94.813 86.068 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.777 94.919 86.867 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.860 96.078 82.875 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.396 94.786 86.180 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.481 95.944 82.190 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.750 95.299 83.841 1.00 23.73 H new ATOM 1622 N ILE A 112 57.674 98.671 84.228 1.00 0.00 N ATOM 1623 CA ILE A 112 57.295 99.800 83.328 1.00 0.00 C ATOM 1624 C ILE A 112 57.114 99.302 81.889 1.00 0.00 C ATOM 1625 O ILE A 112 57.650 98.281 81.501 1.00 0.00 O ATOM 1626 CB ILE A 112 58.464 100.788 83.417 1.00 0.00 C ATOM 1627 CG1 ILE A 112 58.632 101.254 84.866 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.181 102.004 82.531 1.00 0.00 C ATOM 1629 CD1 ILE A 112 59.940 102.038 85.002 1.00 0.00 C ATOM 0 H ILE A 112 58.655 98.395 84.180 1.00 0.00 H new ATOM 0 HA ILE A 112 56.350 100.259 83.620 1.00 0.00 H new ATOM 0 HB ILE A 112 59.375 100.294 83.080 1.00 0.00 H new ATOM 0 HG12 ILE A 112 57.789 101.880 85.158 1.00 0.00 H new ATOM 0 HG13 ILE A 112 58.639 100.395 85.537 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.014 102.704 82.597 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.060 101.681 81.497 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.268 102.494 82.867 1.00 0.00 H new ATOM 0 HD11 ILE A 112 60.060 102.370 86.033 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.778 101.398 84.727 1.00 0.00 H new ATOM 0 HD13 ILE A 112 59.915 102.905 84.342 1.00 0.00 H new ATOM 1641 N ALA A 113 56.377 100.035 81.096 1.00 0.00 N ATOM 1642 CA ALA A 113 56.164 99.643 79.674 1.00 0.00 C ATOM 1643 C ALA A 113 56.719 100.752 78.766 1.00 0.00 C ATOM 1644 O ALA A 113 56.047 101.731 78.504 1.00 0.00 O ATOM 1645 CB ALA A 113 54.649 99.511 79.513 1.00 0.00 C ATOM 0 H ALA A 113 55.910 100.897 81.377 1.00 0.00 H new ATOM 0 HA ALA A 113 56.667 98.714 79.407 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.416 99.224 78.488 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.275 98.749 80.197 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.175 100.466 79.739 1.00 0.00 H new ATOM 1651 N PRO A 114 57.946 100.566 78.331 1.00 31.26 N ATOM 1652 CA PRO A 114 58.574 101.603 77.462 1.00 32.26 C ATOM 1653 C PRO A 114 57.780 101.832 76.174 1.00 31.77 C ATOM 1654 O PRO A 114 57.191 100.933 75.606 1.00 33.24 O ATOM 1655 CB PRO A 114 59.954 101.039 77.141 1.00 32.64 C ATOM 1656 CG PRO A 114 59.806 99.566 77.290 1.00 33.31 C ATOM 1657 CD PRO A 114 58.779 99.346 78.364 1.00 32.61 C ATOM 0 HA PRO A 114 58.611 102.572 77.959 1.00 32.26 H new ATOM 0 HB2 PRO A 114 60.265 101.305 76.131 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.710 101.432 77.821 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.489 99.111 76.351 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.756 99.106 77.562 1.00 33.31 H new ATOM 0 HD2 PRO A 114 58.185 98.454 78.169 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.247 99.210 79.339 1.00 32.61 H new ATOM 1665 N ILE A 115 57.793 103.056 75.713 1.00 30.59 N ATOM 1666 CA ILE A 115 57.081 103.419 74.453 1.00 30.04 C ATOM 1667 C ILE A 115 58.120 103.754 73.386 1.00 30.45 C ATOM 1668 O ILE A 115 58.933 104.652 73.560 1.00 30.15 O ATOM 1669 CB ILE A 115 56.239 104.657 74.785 1.00 29.44 C ATOM 1670 CG1 ILE A 115 55.309 104.358 75.966 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.396 105.037 73.567 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.690 105.663 76.469 1.00 28.50 C ATOM 0 H ILE A 115 58.276 103.832 76.165 1.00 30.59 H new ATOM 0 HA ILE A 115 56.453 102.610 74.079 1.00 30.04 H new ATOM 0 HB ILE A 115 56.903 105.480 75.049 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.525 103.665 75.659 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.866 103.874 76.768 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.796 105.917 73.800 1.00 25.80 H new ATOM 0 HG22 ILE A 115 56.052 105.258 72.725 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.738 104.208 73.307 1.00 25.80 H new ATOM 0 HD11 ILE A 115 54.028 105.452 77.309 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.481 106.340 76.791 1.00 28.50 H new ATOM 0 HD13 ILE A 115 54.119 106.128 75.665 1.00 28.50 H new ATOM 1684 N ALA A 116 58.104 103.034 72.287 1.00 30.78 N ATOM 1685 CA ALA A 116 59.096 103.275 71.185 1.00 29.78 C ATOM 1686 C ALA A 116 59.196 104.761 70.837 1.00 29.57 C ATOM 1687 O ALA A 116 58.397 105.566 71.278 1.00 28.51 O ATOM 1688 CB ALA A 116 58.558 102.487 69.988 1.00 27.76 C ATOM 0 H ALA A 116 57.440 102.282 72.104 1.00 30.78 H new ATOM 0 HA ALA A 116 60.098 102.961 71.477 1.00 29.78 H new ATOM 0 HB1 ALA A 116 59.229 102.612 69.139 1.00 27.76 H new ATOM 0 HB2 ALA A 116 58.494 101.430 70.247 1.00 27.76 H new ATOM 0 HB3 ALA A 116 57.567 102.857 69.725 1.00 27.76 H new ATOM 1694 N ALA A 117 60.180 105.129 70.057 1.00 0.00 N ATOM 1695 CA ALA A 117 60.352 106.561 69.685 1.00 0.00 C ATOM 1696 C ALA A 117 59.727 106.845 68.319 1.00 0.00 C ATOM 1697 O ALA A 117 60.105 106.264 67.319 1.00 0.00 O ATOM 1698 CB ALA A 117 61.865 106.770 69.623 1.00 0.00 C ATOM 0 H ALA A 117 60.874 104.494 69.661 1.00 0.00 H new ATOM 0 HA ALA A 117 59.867 107.227 70.398 1.00 0.00 H new ATOM 0 HB1 ALA A 117 62.079 107.804 69.354 1.00 0.00 H new ATOM 0 HB2 ALA A 117 62.303 106.551 70.597 1.00 0.00 H new ATOM 0 HB3 ALA A 117 62.294 106.104 68.874 1.00 0.00 H new ATOM 1704 N PHE A 118 58.802 107.764 68.271 1.00 29.64 N ATOM 1705 CA PHE A 118 58.172 108.134 66.972 1.00 29.08 C ATOM 1706 C PHE A 118 58.602 109.557 66.622 1.00 30.66 C ATOM 1707 O PHE A 118 58.995 110.314 67.491 1.00 30.55 O ATOM 1708 CB PHE A 118 56.653 108.031 67.180 1.00 25.73 C ATOM 1709 CG PHE A 118 56.205 108.904 68.331 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.842 110.236 68.099 1.00 22.18 C ATOM 1711 CD2 PHE A 118 56.139 108.376 69.627 1.00 22.99 C ATOM 1712 CE1 PHE A 118 55.415 111.040 69.163 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.711 109.181 70.690 1.00 21.66 C ATOM 1714 CZ PHE A 118 55.349 110.512 70.458 1.00 21.66 C ATOM 0 H PHE A 118 58.454 108.277 69.081 1.00 29.64 H new ATOM 0 HA PHE A 118 58.472 107.483 66.151 1.00 29.08 H new ATOM 0 HB2 PHE A 118 56.136 108.331 66.268 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.378 106.995 67.376 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.891 110.643 67.100 1.00 22.18 H new ATOM 0 HD2 PHE A 118 56.418 107.348 69.806 1.00 22.99 H new ATOM 0 HE1 PHE A 118 55.136 112.068 68.985 1.00 21.08 H new ATOM 0 HE2 PHE A 118 55.660 108.774 71.689 1.00 21.66 H new ATOM 0 HZ PHE A 118 55.019 111.132 71.278 1.00 21.66 H new ATOM 1724 N VAL A 119 58.546 109.932 65.370 1.00 0.00 N ATOM 1725 CA VAL A 119 58.972 111.312 64.991 1.00 0.00 C ATOM 1726 C VAL A 119 57.783 112.112 64.459 1.00 0.00 C ATOM 1727 O VAL A 119 56.831 111.561 63.936 1.00 0.00 O ATOM 1728 CB VAL A 119 60.034 111.123 63.901 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.558 112.487 63.447 1.00 0.00 C ATOM 1730 CG2 VAL A 119 61.198 110.296 64.457 1.00 0.00 C ATOM 0 H VAL A 119 58.226 109.347 64.598 1.00 0.00 H new ATOM 0 HA VAL A 119 59.364 111.867 65.843 1.00 0.00 H new ATOM 0 HB VAL A 119 59.587 110.604 63.053 1.00 0.00 H new ATOM 0 HG11 VAL A 119 61.312 112.348 62.673 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.734 113.079 63.049 1.00 0.00 H new ATOM 0 HG13 VAL A 119 61.001 113.007 64.296 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.952 110.162 63.682 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.640 110.815 65.307 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.831 109.321 64.778 1.00 0.00 H new ATOM 1740 N LEU A 120 57.843 113.411 64.585 1.00 36.62 N ATOM 1741 CA LEU A 120 56.736 114.272 64.085 1.00 37.66 C ATOM 1742 C LEU A 120 57.242 115.109 62.913 1.00 38.64 C ATOM 1743 O LEU A 120 58.294 115.716 62.991 1.00 37.83 O ATOM 1744 CB LEU A 120 56.342 115.179 65.261 1.00 38.14 C ATOM 1745 CG LEU A 120 55.615 114.371 66.346 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.601 113.451 67.073 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.981 115.335 67.351 1.00 37.30 C ATOM 0 H LEU A 120 58.618 113.915 65.016 1.00 36.62 H new ATOM 0 HA LEU A 120 55.883 113.688 63.738 1.00 37.66 H new ATOM 0 HB2 LEU A 120 57.233 115.645 65.682 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.698 115.984 64.907 1.00 38.14 H new ATOM 0 HG LEU A 120 54.843 113.760 65.879 1.00 37.94 H new ATOM 0 HD11 LEU A 120 56.072 112.884 67.839 1.00 39.15 H new ATOM 0 HD12 LEU A 120 57.051 112.762 66.358 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.382 114.051 67.540 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.463 114.767 68.124 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.759 115.946 67.809 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.269 115.980 66.837 1.00 37.30 H new ATOM 1759 N SER A 121 56.508 115.137 61.831 1.00 0.00 N ATOM 1760 CA SER A 121 56.942 115.930 60.642 1.00 0.00 C ATOM 1761 C SER A 121 55.724 116.330 59.804 1.00 0.00 C ATOM 1762 O SER A 121 54.622 116.436 60.305 1.00 0.00 O ATOM 1763 CB SER A 121 57.854 114.992 59.852 1.00 0.00 C ATOM 1764 OG SER A 121 59.161 115.029 60.409 1.00 0.00 O ATOM 0 H SER A 121 55.623 114.643 61.719 1.00 0.00 H new ATOM 0 HA SER A 121 57.452 116.852 60.922 1.00 0.00 H new ATOM 0 HB2 SER A 121 57.462 113.975 59.881 1.00 0.00 H new ATOM 0 HB3 SER A 121 57.884 115.292 58.805 1.00 0.00 H new ATOM 0 HG SER A 121 59.114 115.356 61.332 1.00 0.00 H new