USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 HIS : no HE2:sc= -0.837 K(o=-3.3,f=-6.1!) USER MOD Set 1.2: A 100 HIS : no HD1:sc= -2.45 K(o=-3.3,f=-4.1!) USER MOD Set 2.1: A 33 TYR OH : rot -63:sc= 1.21 USER MOD Set 2.2: A 86 SER OG : rot -100:sc= 2.27 USER MOD Set 3.1: A 84 TYR OH : rot 180:sc= 0.432 USER MOD Set 3.2: A 101 TYR OH : rot -56:sc= 0.831 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 109 THR OG1 : rot 180:sc= 0 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=-0.03) USER MOD Single : A 21 GLN : amide:sc= -2.6! C(o=-2.6!,f=-7.8!) USER MOD Single : A 22 SER OG : rot -1:sc= -0.683 USER MOD Single : A 23 THR OG1 : rot -154:sc= 0.0802 USER MOD Single : A 29 TYR OH : rot -98:sc= 0.499 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.2!) USER MOD Single : A 39 ASN : amide:sc= 0.185 K(o=0.19,f=-9.6!) USER MOD Single : A 53 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.27! USER MOD Single : A 58 ASN : amide:sc=-0.00478 K(o=-0.0048,f=-1.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.492 X(o=-0.49,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.407 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 -134:sc= 0.443 USER MOD Single : A 94 GLN : amide:sc= -0.0579 K(o=-0.058,f=-0.89) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 97 MET CE :methyl -156:sc= -2.17 (180deg=-4.58!) USER MOD Single : A 98 GLN : amide:sc= -1.41! C(o=-1.4!,f=-1.6!) USER MOD Single : A 103 MET CE :methyl -100:sc= -0.144 (180deg=-0.655) USER MOD Single : A 121 SER OG : rot -35:sc= 0.0259 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.031 86.964 81.218 1.00 0.00 N ATOM 2 CA ARG A 6 53.930 87.068 82.219 1.00 0.00 C ATOM 3 C ARG A 6 53.650 88.540 82.539 1.00 0.00 C ATOM 4 O ARG A 6 52.522 88.922 82.805 1.00 0.00 O ATOM 5 CB ARG A 6 54.452 86.338 83.456 1.00 0.00 C ATOM 6 CG ARG A 6 53.279 85.966 84.367 1.00 0.00 C ATOM 7 CD ARG A 6 53.803 85.234 85.606 1.00 0.00 C ATOM 8 NE ARG A 6 54.478 84.013 85.082 1.00 0.00 N ATOM 9 CZ ARG A 6 53.928 82.841 85.244 1.00 0.00 C ATOM 10 NH1 ARG A 6 53.523 82.469 86.427 1.00 0.00 N ATOM 11 NH2 ARG A 6 53.785 82.041 84.223 1.00 0.00 N ATOM 0 HA ARG A 6 52.996 86.638 81.857 1.00 0.00 H new ATOM 0 HB2 ARG A 6 54.994 85.440 83.159 1.00 0.00 H new ATOM 0 HB3 ARG A 6 55.157 86.972 83.994 1.00 0.00 H new ATOM 0 HG2 ARG A 6 52.738 86.864 84.665 1.00 0.00 H new ATOM 0 HG3 ARG A 6 52.574 85.332 83.829 1.00 0.00 H new ATOM 0 HD2 ARG A 6 54.498 85.858 86.167 1.00 0.00 H new ATOM 0 HD3 ARG A 6 52.989 84.974 86.283 1.00 0.00 H new ATOM 0 HE ARG A 6 55.371 84.094 84.596 1.00 0.00 H new ATOM 0 HH11 ARG A 6 53.636 83.094 87.225 1.00 0.00 H new ATOM 0 HH12 ARG A 6 53.093 81.553 86.554 1.00 0.00 H new ATOM 0 HH21 ARG A 6 54.103 82.332 83.299 1.00 0.00 H new ATOM 0 HH22 ARG A 6 53.355 81.125 84.349 1.00 0.00 H new ATOM 25 N TYR A 7 54.669 89.362 82.517 1.00 31.93 N ATOM 26 CA TYR A 7 54.482 90.812 82.818 1.00 29.59 C ATOM 27 C TYR A 7 54.969 91.668 81.642 1.00 29.68 C ATOM 28 O TYR A 7 56.092 92.136 81.629 1.00 30.50 O ATOM 29 CB TYR A 7 55.345 91.069 84.055 1.00 27.35 C ATOM 30 CG TYR A 7 54.806 90.270 85.217 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.514 90.517 85.698 1.00 23.78 C ATOM 32 CD2 TYR A 7 55.599 89.282 85.814 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.016 89.776 86.775 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.099 88.542 86.892 1.00 22.47 C ATOM 35 CZ TYR A 7 53.808 88.789 87.372 1.00 22.87 C ATOM 36 OH TYR A 7 53.315 88.058 88.436 1.00 25.71 O ATOM 0 H TYR A 7 55.628 89.088 82.302 1.00 31.93 H new ATOM 0 HA TYR A 7 53.435 91.067 82.984 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.379 90.789 83.855 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.344 92.131 84.298 1.00 27.35 H new ATOM 0 HD1 TYR A 7 52.903 91.279 85.238 1.00 23.78 H new ATOM 0 HD2 TYR A 7 56.595 89.091 85.443 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.020 89.966 87.146 1.00 22.01 H new ATOM 0 HE2 TYR A 7 55.710 87.780 87.353 1.00 22.47 H new ATOM 0 HH TYR A 7 53.992 87.414 88.732 1.00 25.71 H new ATOM 46 N ARG A 8 54.131 91.874 80.659 1.00 0.00 N ATOM 47 CA ARG A 8 54.535 92.699 79.478 1.00 0.00 C ATOM 48 C ARG A 8 53.329 93.444 78.899 1.00 0.00 C ATOM 49 O ARG A 8 52.213 92.957 78.884 1.00 0.00 O ATOM 50 CB ARG A 8 55.115 91.716 78.456 1.00 0.00 C ATOM 51 CG ARG A 8 54.076 90.650 78.109 1.00 0.00 C ATOM 52 CD ARG A 8 54.673 89.660 77.104 1.00 0.00 C ATOM 53 NE ARG A 8 55.298 88.592 77.936 1.00 0.00 N ATOM 54 CZ ARG A 8 56.121 87.738 77.389 1.00 0.00 C ATOM 55 NH1 ARG A 8 55.660 86.782 76.630 1.00 0.00 N ATOM 56 NH2 ARG A 8 57.405 87.841 77.602 1.00 0.00 N ATOM 0 H ARG A 8 53.181 91.506 80.622 1.00 0.00 H new ATOM 0 HA ARG A 8 55.266 93.459 79.753 1.00 0.00 H new ATOM 0 HB2 ARG A 8 55.415 92.250 77.555 1.00 0.00 H new ATOM 0 HB3 ARG A 8 56.011 91.245 78.860 1.00 0.00 H new ATOM 0 HG2 ARG A 8 53.764 90.124 79.011 1.00 0.00 H new ATOM 0 HG3 ARG A 8 53.186 91.118 77.689 1.00 0.00 H new ATOM 0 HD2 ARG A 8 53.904 89.250 76.449 1.00 0.00 H new ATOM 0 HD3 ARG A 8 55.411 90.144 76.464 1.00 0.00 H new ATOM 0 HE ARG A 8 55.083 88.528 78.931 1.00 0.00 H new ATOM 0 HH11 ARG A 8 54.657 86.702 76.464 1.00 0.00 H new ATOM 0 HH12 ARG A 8 56.303 86.115 76.203 1.00 0.00 H new ATOM 0 HH21 ARG A 8 57.765 88.588 78.196 1.00 0.00 H new ATOM 0 HH22 ARG A 8 58.048 87.174 77.175 1.00 0.00 H new ATOM 70 N VAL A 9 53.572 94.639 78.431 1.00 0.00 N ATOM 71 CA VAL A 9 52.502 95.497 77.843 1.00 0.00 C ATOM 72 C VAL A 9 53.126 96.420 76.792 1.00 0.00 C ATOM 73 O VAL A 9 53.999 97.215 77.081 1.00 0.00 O ATOM 74 CB VAL A 9 51.951 96.312 79.020 1.00 0.00 C ATOM 75 CG1 VAL A 9 50.860 97.267 78.524 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.354 95.363 80.062 1.00 0.00 C ATOM 0 H VAL A 9 54.497 95.069 78.432 1.00 0.00 H new ATOM 0 HA VAL A 9 51.715 94.922 77.354 1.00 0.00 H new ATOM 0 HB VAL A 9 52.761 96.888 79.467 1.00 0.00 H new ATOM 0 HG11 VAL A 9 50.472 97.844 79.364 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.280 97.945 77.781 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.051 96.692 78.074 1.00 0.00 H new ATOM 0 HG21 VAL A 9 50.962 95.941 80.899 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.547 94.787 79.609 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.127 94.684 80.421 1.00 0.00 H new ATOM 86 N GLU A 10 52.665 96.319 75.575 1.00 0.00 N ATOM 87 CA GLU A 10 53.186 97.177 74.469 1.00 0.00 C ATOM 88 C GLU A 10 52.140 98.222 74.076 1.00 0.00 C ATOM 89 O GLU A 10 50.973 97.927 73.921 1.00 0.00 O ATOM 90 CB GLU A 10 53.442 96.213 73.309 1.00 0.00 C ATOM 91 CG GLU A 10 54.043 96.980 72.126 1.00 0.00 C ATOM 92 CD GLU A 10 54.305 96.023 70.955 1.00 0.00 C ATOM 93 OE1 GLU A 10 54.391 94.827 71.190 1.00 0.00 O ATOM 94 OE2 GLU A 10 54.423 96.506 69.841 1.00 0.00 O ATOM 0 H GLU A 10 51.934 95.665 75.294 1.00 0.00 H new ATOM 0 HA GLU A 10 54.087 97.720 74.755 1.00 0.00 H new ATOM 0 HB2 GLU A 10 54.121 95.421 73.624 1.00 0.00 H new ATOM 0 HB3 GLU A 10 52.510 95.734 73.009 1.00 0.00 H new ATOM 0 HG2 GLU A 10 53.363 97.772 71.813 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.974 97.460 72.429 1.00 0.00 H new ATOM 101 N VAL A 11 52.569 99.447 73.924 1.00 26.88 N ATOM 102 CA VAL A 11 51.630 100.544 73.544 1.00 26.83 C ATOM 103 C VAL A 11 52.059 101.159 72.207 1.00 27.58 C ATOM 104 O VAL A 11 53.231 101.381 71.964 1.00 28.21 O ATOM 105 CB VAL A 11 51.738 101.575 74.674 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.786 102.743 74.401 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.361 100.920 76.007 1.00 25.75 C ATOM 0 H VAL A 11 53.539 99.737 74.048 1.00 26.88 H new ATOM 0 HA VAL A 11 50.607 100.190 73.419 1.00 26.83 H new ATOM 0 HB VAL A 11 52.763 101.943 74.723 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.866 103.473 75.206 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.051 103.215 73.455 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.762 102.373 74.347 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.439 101.655 76.808 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.338 100.548 75.953 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.038 100.090 76.209 1.00 25.75 H new ATOM 117 N GLU A 12 51.117 101.447 71.348 1.00 0.00 N ATOM 118 CA GLU A 12 51.451 102.062 70.027 1.00 0.00 C ATOM 119 C GLU A 12 50.695 103.388 69.876 1.00 0.00 C ATOM 120 O GLU A 12 49.549 103.509 70.265 1.00 0.00 O ATOM 121 CB GLU A 12 51.009 101.037 68.970 1.00 0.00 C ATOM 122 CG GLU A 12 49.492 100.819 69.030 1.00 0.00 C ATOM 123 CD GLU A 12 49.098 99.712 68.050 1.00 0.00 C ATOM 124 OE1 GLU A 12 48.995 100.001 66.869 1.00 0.00 O ATOM 125 OE2 GLU A 12 48.906 98.593 68.498 1.00 0.00 O ATOM 0 H GLU A 12 50.123 101.282 71.505 1.00 0.00 H new ATOM 0 HA GLU A 12 52.512 102.288 69.924 1.00 0.00 H new ATOM 0 HB2 GLU A 12 51.293 101.385 67.977 1.00 0.00 H new ATOM 0 HB3 GLU A 12 51.525 100.091 69.135 1.00 0.00 H new ATOM 0 HG2 GLU A 12 49.192 100.547 70.042 1.00 0.00 H new ATOM 0 HG3 GLU A 12 48.971 101.743 68.781 1.00 0.00 H new ATOM 132 N VAL A 13 51.344 104.385 69.332 1.00 26.55 N ATOM 133 CA VAL A 13 50.691 105.718 69.165 1.00 26.45 C ATOM 134 C VAL A 13 50.828 106.211 67.723 1.00 27.95 C ATOM 135 O VAL A 13 51.857 106.054 67.093 1.00 27.94 O ATOM 136 CB VAL A 13 51.439 106.651 70.127 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.839 108.057 70.062 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.322 106.115 71.558 1.00 26.97 C ATOM 0 H VAL A 13 52.305 104.332 68.994 1.00 26.55 H new ATOM 0 HA VAL A 13 49.623 105.678 69.380 1.00 26.45 H new ATOM 0 HB VAL A 13 52.489 106.694 69.837 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.375 108.713 70.747 1.00 24.91 H new ATOM 0 HG12 VAL A 13 50.927 108.443 69.047 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.787 108.017 70.346 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.854 106.779 72.240 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.271 106.067 71.844 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.758 105.117 71.610 1.00 26.97 H new ATOM 148 N SER A 14 49.785 106.812 67.205 1.00 0.00 N ATOM 149 CA SER A 14 49.824 107.330 65.806 1.00 0.00 C ATOM 150 C SER A 14 49.514 108.837 65.795 1.00 0.00 C ATOM 151 O SER A 14 48.372 109.232 65.943 1.00 0.00 O ATOM 152 CB SER A 14 48.741 106.552 65.062 1.00 0.00 C ATOM 153 OG SER A 14 48.701 106.980 63.707 1.00 0.00 O ATOM 0 H SER A 14 48.904 106.966 67.696 1.00 0.00 H new ATOM 0 HA SER A 14 50.803 107.202 65.343 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.946 105.483 65.112 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.772 106.713 65.535 1.00 0.00 H new ATOM 0 HG SER A 14 48.008 106.481 63.227 1.00 0.00 H new ATOM 159 N PRO A 15 50.547 109.630 65.622 1.00 28.75 N ATOM 160 CA PRO A 15 50.332 111.106 65.599 1.00 30.20 C ATOM 161 C PRO A 15 49.879 111.580 64.214 1.00 33.00 C ATOM 162 O PRO A 15 49.968 110.869 63.232 1.00 32.76 O ATOM 163 CB PRO A 15 51.699 111.689 65.939 1.00 29.34 C ATOM 164 CG PRO A 15 52.676 110.642 65.527 1.00 29.59 C ATOM 165 CD PRO A 15 51.987 109.313 65.684 1.00 28.91 C ATOM 0 HA PRO A 15 49.553 111.417 66.295 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.873 112.624 65.406 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.781 111.909 67.003 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.992 110.793 64.495 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.573 110.687 66.144 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.275 108.621 64.892 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.248 108.840 66.631 1.00 28.91 H new ATOM 173 N ARG A 16 49.388 112.791 64.149 1.00 34.77 N ATOM 174 CA ARG A 16 48.910 113.367 62.858 1.00 37.64 C ATOM 175 C ARG A 16 48.923 114.899 62.943 1.00 38.99 C ATOM 176 O ARG A 16 48.477 115.487 63.913 1.00 38.96 O ATOM 177 CB ARG A 16 47.483 112.839 62.664 1.00 40.22 C ATOM 178 CG ARG A 16 46.607 113.233 63.857 1.00 43.41 C ATOM 179 CD ARG A 16 45.190 112.697 63.648 1.00 47.90 C ATOM 180 NE ARG A 16 44.433 113.134 64.854 1.00 51.85 N ATOM 181 CZ ARG A 16 43.707 112.274 65.516 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.634 111.771 64.971 1.00 53.27 N ATOM 183 NH2 ARG A 16 44.056 111.919 66.722 1.00 54.10 N ATOM 0 H ARG A 16 49.297 113.415 64.951 1.00 34.77 H new ATOM 0 HA ARG A 16 49.546 113.084 62.019 1.00 37.64 H new ATOM 0 HB2 ARG A 16 47.060 113.242 61.744 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.500 111.754 62.558 1.00 40.22 H new ATOM 0 HG2 ARG A 16 47.027 112.831 64.779 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.585 114.318 63.963 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.746 113.098 62.737 1.00 47.90 H new ATOM 0 HD3 ARG A 16 45.188 111.611 63.553 1.00 47.90 H new ATOM 0 HE ARG A 16 44.482 114.105 65.163 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.362 112.049 64.028 1.00 53.27 H new ATOM 0 HH12 ARG A 16 42.067 111.099 65.488 1.00 53.27 H new ATOM 0 HH21 ARG A 16 44.895 112.313 67.147 1.00 54.10 H new ATOM 0 HH22 ARG A 16 43.490 111.247 67.240 1.00 54.10 H new ATOM 197 N PHE A 17 49.461 115.538 61.937 1.00 0.00 N ATOM 198 CA PHE A 17 49.551 117.033 61.936 1.00 0.00 C ATOM 199 C PHE A 17 48.159 117.673 62.026 1.00 0.00 C ATOM 200 O PHE A 17 47.223 117.243 61.379 1.00 0.00 O ATOM 201 CB PHE A 17 50.212 117.384 60.599 1.00 0.00 C ATOM 202 CG PHE A 17 50.493 118.866 60.543 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.533 119.408 61.309 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.724 119.698 59.721 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.803 120.780 61.253 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.994 121.071 59.667 1.00 0.00 C ATOM 207 CZ PHE A 17 51.033 121.612 60.433 1.00 0.00 C ATOM 0 H PHE A 17 49.846 115.086 61.108 1.00 0.00 H new ATOM 0 HA PHE A 17 50.115 117.404 62.792 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.140 116.824 60.483 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.561 117.096 59.774 1.00 0.00 H new ATOM 0 HD1 PHE A 17 52.127 118.767 61.943 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.923 119.281 59.129 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.606 121.197 61.843 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.400 121.713 59.034 1.00 0.00 H new ATOM 0 HZ PHE A 17 51.240 122.671 60.391 1.00 0.00 H new ATOM 217 N LEU A 18 48.027 118.703 62.822 1.00 0.00 N ATOM 218 CA LEU A 18 46.706 119.394 62.965 1.00 0.00 C ATOM 219 C LEU A 18 46.797 120.827 62.428 1.00 0.00 C ATOM 220 O LEU A 18 46.890 121.786 63.167 1.00 0.00 O ATOM 221 CB LEU A 18 46.401 119.383 64.464 1.00 0.00 C ATOM 222 CG LEU A 18 44.905 119.149 64.682 1.00 0.00 C ATOM 223 CD1 LEU A 18 44.528 117.749 64.192 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.584 119.268 66.174 1.00 0.00 C ATOM 0 H LEU A 18 48.781 119.099 63.383 1.00 0.00 H new ATOM 0 HA LEU A 18 45.918 118.899 62.398 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.977 118.600 64.957 1.00 0.00 H new ATOM 0 HB3 LEU A 18 46.700 120.330 64.913 1.00 0.00 H new ATOM 0 HG LEU A 18 44.337 119.894 64.125 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.462 117.584 64.348 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.757 117.661 63.130 1.00 0.00 H new ATOM 0 HD13 LEU A 18 45.096 117.004 64.749 1.00 0.00 H new ATOM 0 HD21 LEU A 18 43.518 119.102 66.331 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.154 118.523 66.729 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.851 120.265 66.525 1.00 0.00 H new ATOM 236 N ALA A 19 46.744 120.953 61.130 1.00 0.00 N ATOM 237 CA ALA A 19 46.799 122.295 60.465 1.00 0.00 C ATOM 238 C ALA A 19 45.509 123.092 60.696 1.00 0.00 C ATOM 239 O ALA A 19 45.541 124.303 60.810 1.00 0.00 O ATOM 240 CB ALA A 19 46.933 121.977 58.973 1.00 0.00 C ATOM 0 H ALA A 19 46.663 120.167 60.485 1.00 0.00 H new ATOM 0 HA ALA A 19 47.617 122.899 60.858 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.981 122.907 58.406 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.843 121.402 58.804 1.00 0.00 H new ATOM 0 HB3 ALA A 19 46.071 121.396 58.646 1.00 0.00 H new ATOM 246 N HIS A 20 44.379 122.434 60.740 1.00 0.00 N ATOM 247 CA HIS A 20 43.092 123.176 60.934 1.00 0.00 C ATOM 248 C HIS A 20 43.013 123.781 62.339 1.00 0.00 C ATOM 249 O HIS A 20 42.320 124.758 62.557 1.00 0.00 O ATOM 250 CB HIS A 20 41.984 122.143 60.721 1.00 0.00 C ATOM 251 CG HIS A 20 40.651 122.839 60.674 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.317 123.729 59.666 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.560 122.786 61.505 1.00 0.00 C ATOM 254 CE1 HIS A 20 39.070 124.171 59.913 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.563 123.629 61.024 1.00 0.00 N ATOM 0 H HIS A 20 44.289 121.422 60.651 1.00 0.00 H new ATOM 0 HA HIS A 20 43.003 124.009 60.237 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.154 121.598 59.793 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.995 121.410 61.528 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.486 122.182 62.397 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.543 124.878 59.289 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.643 123.797 61.432 1.00 0.00 H new ATOM 263 N GLN A 21 43.711 123.215 63.290 1.00 51.13 N ATOM 264 CA GLN A 21 43.668 123.769 64.678 1.00 51.59 C ATOM 265 C GLN A 21 45.067 124.210 65.120 1.00 51.55 C ATOM 266 O GLN A 21 45.417 124.113 66.282 1.00 51.24 O ATOM 267 CB GLN A 21 43.159 122.623 65.552 1.00 52.27 C ATOM 268 CG GLN A 21 41.683 122.362 65.243 1.00 52.27 C ATOM 269 CD GLN A 21 41.173 121.214 66.118 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.913 120.306 66.440 1.00 52.37 O ATOM 271 NE2 GLN A 21 39.931 121.218 66.518 1.00 51.79 N ATOM 0 H GLN A 21 44.307 122.396 63.167 1.00 51.13 H new ATOM 0 HA GLN A 21 43.026 124.647 64.750 1.00 51.59 H new ATOM 0 HB2 GLN A 21 43.745 121.723 65.367 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.282 122.873 66.606 1.00 52.27 H new ATOM 0 HG2 GLN A 21 41.097 123.262 65.428 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.560 122.112 64.189 1.00 52.27 H new ATOM 0 HE21 GLN A 21 39.310 121.981 66.247 1.00 51.79 H new ATOM 0 HE22 GLN A 21 39.581 120.458 67.102 1.00 51.79 H new ATOM 280 N SER A 22 45.866 124.694 64.202 1.00 52.26 N ATOM 281 CA SER A 22 47.244 125.145 64.567 1.00 52.76 C ATOM 282 C SER A 22 47.727 126.239 63.610 1.00 51.68 C ATOM 283 O SER A 22 47.455 126.204 62.426 1.00 52.15 O ATOM 284 CB SER A 22 48.119 123.902 64.431 1.00 53.63 C ATOM 285 OG SER A 22 49.426 124.199 64.902 1.00 55.19 O ATOM 0 H SER A 22 45.624 124.796 63.216 1.00 52.26 H new ATOM 0 HA SER A 22 47.279 125.566 65.572 1.00 52.76 H new ATOM 0 HB2 SER A 22 47.692 123.077 65.002 1.00 53.63 H new ATOM 0 HB3 SER A 22 48.158 123.582 63.390 1.00 53.63 H new ATOM 0 HG SER A 22 49.468 125.137 65.182 1.00 55.19 H new ATOM 291 N THR A 23 48.465 127.195 64.117 1.00 0.00 N ATOM 292 CA THR A 23 49.000 128.281 63.240 1.00 0.00 C ATOM 293 C THR A 23 50.536 128.280 63.329 1.00 0.00 C ATOM 294 O THR A 23 51.107 128.840 64.244 1.00 0.00 O ATOM 295 CB THR A 23 48.390 129.599 63.757 1.00 0.00 C ATOM 296 OG1 THR A 23 48.877 130.676 62.968 1.00 0.00 O ATOM 297 CG2 THR A 23 48.754 129.847 65.225 1.00 0.00 C ATOM 0 H THR A 23 48.720 127.270 65.102 1.00 0.00 H new ATOM 0 HA THR A 23 48.738 128.144 62.191 1.00 0.00 H new ATOM 0 HB THR A 23 47.305 129.527 63.682 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.857 131.502 63.494 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.308 130.784 65.557 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.376 129.028 65.837 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.838 129.905 65.326 1.00 0.00 H new ATOM 305 N PRO A 24 51.155 127.610 62.381 1.00 49.88 N ATOM 306 CA PRO A 24 52.645 127.519 62.411 1.00 51.02 C ATOM 307 C PRO A 24 53.311 128.881 62.182 1.00 51.50 C ATOM 308 O PRO A 24 54.450 129.084 62.557 1.00 51.57 O ATOM 309 CB PRO A 24 52.980 126.569 61.264 1.00 51.23 C ATOM 310 CG PRO A 24 51.830 126.683 60.325 1.00 51.05 C ATOM 311 CD PRO A 24 50.619 126.970 61.163 1.00 49.44 C ATOM 0 HA PRO A 24 53.007 127.175 63.380 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.915 126.849 60.779 1.00 51.23 H new ATOM 0 HB3 PRO A 24 53.099 125.546 61.620 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.998 127.481 59.601 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.699 125.761 59.759 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.923 127.628 60.642 1.00 49.44 H new ATOM 0 HD3 PRO A 24 50.076 126.056 61.401 1.00 49.44 H new ATOM 319 N ASP A 25 52.627 129.804 61.555 1.00 0.00 N ATOM 320 CA ASP A 25 53.249 131.140 61.289 1.00 0.00 C ATOM 321 C ASP A 25 53.531 131.886 62.600 1.00 0.00 C ATOM 322 O ASP A 25 54.390 132.749 62.650 1.00 0.00 O ATOM 323 CB ASP A 25 52.246 131.903 60.423 1.00 0.00 C ATOM 324 CG ASP A 25 52.911 133.159 59.857 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.148 134.077 60.626 1.00 0.00 O ATOM 326 OD2 ASP A 25 53.172 133.183 58.666 1.00 0.00 O ATOM 0 H ASP A 25 51.671 129.693 61.217 1.00 0.00 H new ATOM 0 HA ASP A 25 54.210 131.039 60.785 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.894 131.268 59.610 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.373 132.177 61.015 1.00 0.00 H new ATOM 331 N GLU A 26 52.821 131.573 63.656 1.00 0.00 N ATOM 332 CA GLU A 26 53.061 132.281 64.953 1.00 0.00 C ATOM 333 C GLU A 26 53.814 131.377 65.941 1.00 0.00 C ATOM 334 O GLU A 26 53.765 131.585 67.139 1.00 0.00 O ATOM 335 CB GLU A 26 51.668 132.611 65.488 1.00 0.00 C ATOM 336 CG GLU A 26 51.030 133.696 64.617 1.00 0.00 C ATOM 337 CD GLU A 26 49.637 134.027 65.153 1.00 0.00 C ATOM 338 OE1 GLU A 26 48.706 133.319 64.805 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.523 134.982 65.903 1.00 0.00 O ATOM 0 H GLU A 26 52.090 130.862 63.677 1.00 0.00 H new ATOM 0 HA GLU A 26 53.674 133.172 64.819 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.045 131.716 65.487 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.735 132.952 66.521 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.653 134.590 64.617 1.00 0.00 H new ATOM 0 HG3 GLU A 26 50.962 133.355 63.584 1.00 0.00 H new ATOM 346 N GLY A 27 54.506 130.378 65.450 1.00 0.00 N ATOM 347 CA GLY A 27 55.262 129.462 66.359 1.00 0.00 C ATOM 348 C GLY A 27 54.280 128.605 67.162 1.00 0.00 C ATOM 349 O GLY A 27 54.553 128.212 68.280 1.00 0.00 O ATOM 0 H GLY A 27 54.580 130.157 64.457 1.00 0.00 H new ATOM 0 HA2 GLY A 27 55.926 128.823 65.777 1.00 0.00 H new ATOM 0 HA3 GLY A 27 55.890 130.042 67.035 1.00 0.00 H new ATOM 353 N ARG A 28 53.139 128.315 66.593 1.00 0.00 N ATOM 354 CA ARG A 28 52.125 127.483 67.305 1.00 0.00 C ATOM 355 C ARG A 28 51.813 126.226 66.487 1.00 0.00 C ATOM 356 O ARG A 28 50.950 126.239 65.626 1.00 0.00 O ATOM 357 CB ARG A 28 50.892 128.381 67.412 1.00 0.00 C ATOM 358 CG ARG A 28 49.767 127.641 68.140 1.00 0.00 C ATOM 359 CD ARG A 28 50.135 127.476 69.616 1.00 0.00 C ATOM 360 NE ARG A 28 48.983 126.751 70.220 1.00 0.00 N ATOM 361 CZ ARG A 28 48.303 127.299 71.189 1.00 0.00 C ATOM 362 NH1 ARG A 28 47.723 128.454 71.007 1.00 0.00 N ATOM 363 NH2 ARG A 28 48.204 126.693 72.340 1.00 0.00 N ATOM 0 H ARG A 28 52.865 128.621 65.659 1.00 0.00 H new ATOM 0 HA ARG A 28 52.469 127.146 68.283 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.144 129.296 67.949 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.560 128.676 66.417 1.00 0.00 H new ATOM 0 HG2 ARG A 28 48.833 128.195 68.047 1.00 0.00 H new ATOM 0 HG3 ARG A 28 49.605 126.665 67.683 1.00 0.00 H new ATOM 0 HD2 ARG A 28 51.061 126.912 69.732 1.00 0.00 H new ATOM 0 HD3 ARG A 28 50.288 128.443 70.095 1.00 0.00 H new ATOM 0 HE ARG A 28 48.726 125.826 69.876 1.00 0.00 H new ATOM 0 HH11 ARG A 28 47.801 128.928 70.107 1.00 0.00 H new ATOM 0 HH12 ARG A 28 47.191 128.883 71.765 1.00 0.00 H new ATOM 0 HH21 ARG A 28 48.658 125.791 72.482 1.00 0.00 H new ATOM 0 HH22 ARG A 28 47.672 127.121 73.098 1.00 0.00 H new ATOM 377 N TYR A 29 52.498 125.140 66.754 1.00 46.07 N ATOM 378 CA TYR A 29 52.231 123.877 65.997 1.00 43.41 C ATOM 379 C TYR A 29 51.464 122.908 66.901 1.00 41.37 C ATOM 380 O TYR A 29 51.840 122.692 68.038 1.00 39.95 O ATOM 381 CB TYR A 29 53.610 123.307 65.640 1.00 43.56 C ATOM 382 CG TYR A 29 54.435 124.350 64.916 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.191 125.272 65.651 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.443 124.398 63.518 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.955 126.239 64.989 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.208 125.367 62.856 1.00 42.98 C ATOM 387 CZ TYR A 29 55.962 126.287 63.591 1.00 43.35 C ATOM 388 OH TYR A 29 56.715 127.242 62.937 1.00 43.13 O ATOM 0 H TYR A 29 53.229 125.074 67.462 1.00 46.07 H new ATOM 0 HA TYR A 29 51.633 124.043 65.101 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.126 122.989 66.546 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.495 122.423 65.012 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.184 125.236 66.730 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.860 123.689 62.950 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.539 126.948 65.557 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.215 125.403 61.777 1.00 42.98 H new ATOM 0 HH TYR A 29 56.140 127.993 62.680 1.00 43.13 H new ATOM 398 N ALA A 30 50.384 122.341 66.418 1.00 0.00 N ATOM 399 CA ALA A 30 49.594 121.407 67.281 1.00 0.00 C ATOM 400 C ALA A 30 49.555 119.992 66.694 1.00 0.00 C ATOM 401 O ALA A 30 49.056 119.773 65.608 1.00 0.00 O ATOM 402 CB ALA A 30 48.190 122.006 67.337 1.00 0.00 C ATOM 0 H ALA A 30 50.019 122.482 65.476 1.00 0.00 H new ATOM 0 HA ALA A 30 50.041 121.308 68.270 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.550 121.375 67.954 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.238 123.006 67.768 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.779 122.065 66.329 1.00 0.00 H new ATOM 408 N PHE A 31 50.060 119.033 67.427 1.00 36.58 N ATOM 409 CA PHE A 31 50.039 117.619 66.947 1.00 36.29 C ATOM 410 C PHE A 31 49.137 116.791 67.865 1.00 35.25 C ATOM 411 O PHE A 31 49.268 116.845 69.075 1.00 34.09 O ATOM 412 CB PHE A 31 51.484 117.125 67.057 1.00 36.39 C ATOM 413 CG PHE A 31 52.344 117.795 66.014 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.892 119.058 66.263 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.600 117.147 64.799 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.696 119.673 65.297 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.403 117.763 63.834 1.00 37.25 C ATOM 418 CZ PHE A 31 53.951 119.026 64.082 1.00 36.45 C ATOM 0 H PHE A 31 50.488 119.170 68.343 1.00 36.58 H new ATOM 0 HA PHE A 31 49.661 117.534 65.928 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.874 117.338 68.052 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.517 116.043 66.926 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.695 119.558 67.200 1.00 38.88 H new ATOM 0 HD2 PHE A 31 52.177 116.172 64.607 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.120 120.648 65.489 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.600 117.264 62.897 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.571 119.502 63.336 1.00 36.45 H new ATOM 428 N ALA A 32 48.236 116.015 67.315 1.00 34.06 N ATOM 429 CA ALA A 32 47.345 115.175 68.171 1.00 32.35 C ATOM 430 C ALA A 32 47.668 113.701 67.930 1.00 31.25 C ATOM 431 O ALA A 32 47.763 113.267 66.798 1.00 31.96 O ATOM 432 CB ALA A 32 45.925 115.497 67.702 1.00 32.65 C ATOM 0 H ALA A 32 48.080 115.928 66.311 1.00 34.06 H new ATOM 0 HA ALA A 32 47.469 115.372 69.236 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.209 114.917 68.285 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.729 116.560 67.840 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.824 115.243 66.647 1.00 32.65 H new ATOM 438 N TYR A 33 47.857 112.929 68.973 1.00 29.03 N ATOM 439 CA TYR A 33 48.192 111.486 68.763 1.00 27.15 C ATOM 440 C TYR A 33 47.264 110.580 69.574 1.00 26.72 C ATOM 441 O TYR A 33 46.824 110.934 70.651 1.00 28.24 O ATOM 442 CB TYR A 33 49.648 111.328 69.216 1.00 26.09 C ATOM 443 CG TYR A 33 49.803 111.723 70.664 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.648 110.765 71.671 1.00 25.37 C ATOM 445 CD2 TYR A 33 50.120 113.044 70.997 1.00 24.81 C ATOM 446 CE1 TYR A 33 49.811 111.128 73.014 1.00 25.85 C ATOM 447 CE2 TYR A 33 50.279 113.408 72.339 1.00 25.46 C ATOM 448 CZ TYR A 33 50.126 112.449 73.347 1.00 27.60 C ATOM 449 OH TYR A 33 50.291 112.806 74.670 1.00 28.81 O ATOM 0 H TYR A 33 47.795 113.229 69.946 1.00 29.03 H new ATOM 0 HA TYR A 33 48.063 111.196 67.720 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.966 110.294 69.080 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.296 111.945 68.594 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.403 109.745 71.413 1.00 25.37 H new ATOM 0 HD2 TYR A 33 50.242 113.783 70.219 1.00 24.81 H new ATOM 0 HE1 TYR A 33 49.693 110.388 73.792 1.00 25.85 H new ATOM 0 HE2 TYR A 33 50.520 114.429 72.597 1.00 25.46 H new ATOM 0 HH TYR A 33 49.449 112.670 75.153 1.00 28.81 H new ATOM 459 N SER A 34 46.968 109.413 69.060 1.00 0.00 N ATOM 460 CA SER A 34 46.072 108.473 69.793 1.00 0.00 C ATOM 461 C SER A 34 46.910 107.396 70.485 1.00 0.00 C ATOM 462 O SER A 34 47.878 106.906 69.939 1.00 0.00 O ATOM 463 CB SER A 34 45.176 107.855 68.721 1.00 0.00 C ATOM 464 OG SER A 34 44.376 108.873 68.134 1.00 0.00 O ATOM 0 H SER A 34 47.310 109.072 68.162 1.00 0.00 H new ATOM 0 HA SER A 34 45.486 108.971 70.565 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.784 107.369 67.958 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.541 107.086 69.160 1.00 0.00 H new ATOM 0 HG SER A 34 43.801 108.480 67.444 1.00 0.00 H new ATOM 470 N ILE A 35 46.549 107.042 71.689 1.00 0.00 N ATOM 471 CA ILE A 35 47.321 106.013 72.450 1.00 0.00 C ATOM 472 C ILE A 35 46.598 104.661 72.450 1.00 0.00 C ATOM 473 O ILE A 35 45.413 104.572 72.699 1.00 0.00 O ATOM 474 CB ILE A 35 47.384 106.580 73.879 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.118 107.935 73.868 1.00 0.00 C ATOM 476 CG2 ILE A 35 48.124 105.603 74.803 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.548 107.769 73.337 1.00 0.00 C ATOM 0 H ILE A 35 45.744 107.425 72.184 1.00 0.00 H new ATOM 0 HA ILE A 35 48.304 105.831 72.015 1.00 0.00 H new ATOM 0 HB ILE A 35 46.368 106.719 74.249 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.573 108.645 73.246 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.144 108.349 74.876 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.163 106.015 75.812 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.597 104.649 74.820 1.00 0.00 H new ATOM 0 HG23 ILE A 35 49.138 105.451 74.434 1.00 0.00 H new ATOM 0 HD11 ILE A 35 50.051 108.736 73.337 1.00 0.00 H new ATOM 0 HD12 ILE A 35 50.095 107.076 73.976 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.515 107.377 72.321 1.00 0.00 H new ATOM 489 N ARG A 36 47.327 103.615 72.164 1.00 25.30 N ATOM 490 CA ARG A 36 46.725 102.249 72.133 1.00 25.64 C ATOM 491 C ARG A 36 47.513 101.303 73.046 1.00 23.79 C ATOM 492 O ARG A 36 48.539 100.767 72.674 1.00 25.11 O ATOM 493 CB ARG A 36 46.828 101.805 70.674 1.00 28.66 C ATOM 494 CG ARG A 36 45.686 102.430 69.871 1.00 34.24 C ATOM 495 CD ARG A 36 45.786 101.987 68.409 1.00 37.45 C ATOM 496 NE ARG A 36 44.638 102.648 67.728 1.00 40.12 N ATOM 497 CZ ARG A 36 44.848 103.642 66.910 1.00 40.24 C ATOM 498 NH1 ARG A 36 45.074 103.411 65.645 1.00 39.07 N ATOM 499 NH2 ARG A 36 44.831 104.868 67.356 1.00 39.81 N ATOM 0 H ARG A 36 48.323 103.649 71.948 1.00 25.30 H new ATOM 0 HA ARG A 36 45.694 102.241 72.487 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.789 102.108 70.257 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.781 100.718 70.609 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.726 102.127 70.289 1.00 34.24 H new ATOM 0 HG3 ARG A 36 45.734 103.517 69.937 1.00 34.24 H new ATOM 0 HD2 ARG A 36 46.735 102.291 67.968 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.727 100.902 68.320 1.00 37.45 H new ATOM 0 HE ARG A 36 43.687 102.323 67.901 1.00 40.12 H new ATOM 0 HH11 ARG A 36 45.086 102.453 65.296 1.00 39.07 H new ATOM 0 HH12 ARG A 36 45.238 104.189 65.006 1.00 39.07 H new ATOM 0 HH21 ARG A 36 44.654 105.049 68.344 1.00 39.81 H new ATOM 0 HH22 ARG A 36 44.995 105.646 66.717 1.00 39.81 H new ATOM 513 N ILE A 37 47.028 101.108 74.241 1.00 20.73 N ATOM 514 CA ILE A 37 47.714 100.209 75.217 1.00 18.17 C ATOM 515 C ILE A 37 47.140 98.788 75.140 1.00 17.71 C ATOM 516 O ILE A 37 45.978 98.567 75.422 1.00 15.34 O ATOM 517 CB ILE A 37 47.415 100.826 76.591 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.959 102.258 76.643 1.00 14.77 C ATOM 519 CG2 ILE A 37 48.093 99.998 77.686 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.424 102.962 77.891 1.00 16.07 C ATOM 0 H ILE A 37 46.172 101.540 74.590 1.00 20.73 H new ATOM 0 HA ILE A 37 48.783 100.128 75.018 1.00 18.17 H new ATOM 0 HB ILE A 37 46.337 100.835 76.749 1.00 15.47 H new ATOM 0 HG12 ILE A 37 49.049 102.244 76.659 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.661 102.804 75.748 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.879 100.438 78.660 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.713 98.977 77.658 1.00 14.36 H new ATOM 0 HG23 ILE A 37 49.170 99.989 77.521 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.811 103.980 77.928 1.00 16.07 H new ATOM 0 HD12 ILE A 37 46.335 102.989 77.855 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.745 102.419 78.780 1.00 16.07 H new ATOM 532 N GLN A 38 47.953 97.823 74.789 1.00 0.00 N ATOM 533 CA GLN A 38 47.467 96.409 74.726 1.00 0.00 C ATOM 534 C GLN A 38 48.230 95.559 75.750 1.00 0.00 C ATOM 535 O GLN A 38 49.435 95.670 75.901 1.00 0.00 O ATOM 536 CB GLN A 38 47.714 95.924 73.290 1.00 0.00 C ATOM 537 CG GLN A 38 49.179 96.135 72.894 1.00 0.00 C ATOM 538 CD GLN A 38 49.521 95.236 71.706 1.00 0.00 C ATOM 539 OE1 GLN A 38 48.912 94.202 71.516 1.00 0.00 O ATOM 540 NE2 GLN A 38 50.478 95.588 70.891 1.00 0.00 N ATOM 0 H GLN A 38 48.934 97.953 74.543 1.00 0.00 H new ATOM 0 HA GLN A 38 46.408 96.328 74.969 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.458 94.868 73.208 1.00 0.00 H new ATOM 0 HB3 GLN A 38 47.064 96.464 72.601 1.00 0.00 H new ATOM 0 HG2 GLN A 38 49.350 97.180 72.634 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.831 95.906 73.737 1.00 0.00 H new ATOM 0 HE21 GLN A 38 50.990 96.456 71.050 1.00 0.00 H new ATOM 0 HE22 GLN A 38 50.714 94.995 70.095 1.00 0.00 H new ATOM 549 N ASN A 39 47.517 94.729 76.468 1.00 15.86 N ATOM 550 CA ASN A 39 48.167 93.876 77.509 1.00 17.88 C ATOM 551 C ASN A 39 48.602 92.532 76.918 1.00 18.37 C ATOM 552 O ASN A 39 47.786 91.757 76.457 1.00 18.69 O ATOM 553 CB ASN A 39 47.100 93.676 78.587 1.00 19.10 C ATOM 554 CG ASN A 39 47.711 92.942 79.783 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.699 92.247 79.647 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.159 93.065 80.959 1.00 19.13 N ATOM 0 H ASN A 39 46.509 94.605 76.378 1.00 15.86 H new ATOM 0 HA ASN A 39 49.068 94.341 77.910 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.703 94.640 78.903 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.264 93.104 78.184 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.557 92.578 81.762 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.330 93.648 81.075 1.00 19.13 H new ATOM 563 N ALA A 40 49.878 92.247 76.944 1.00 0.00 N ATOM 564 CA ALA A 40 50.374 90.945 76.403 1.00 0.00 C ATOM 565 C ALA A 40 50.946 90.070 77.531 1.00 0.00 C ATOM 566 O ALA A 40 51.531 89.034 77.274 1.00 0.00 O ATOM 567 CB ALA A 40 51.464 91.316 75.396 1.00 0.00 C ATOM 0 H ALA A 40 50.601 92.862 77.318 1.00 0.00 H new ATOM 0 HA ALA A 40 49.575 90.367 75.939 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.877 90.408 74.956 1.00 0.00 H new ATOM 0 HB2 ALA A 40 51.037 91.939 74.610 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.257 91.866 75.904 1.00 0.00 H new ATOM 573 N GLY A 41 50.771 90.462 78.774 1.00 27.60 N ATOM 574 CA GLY A 41 51.293 89.634 79.902 1.00 28.62 C ATOM 575 C GLY A 41 50.292 88.524 80.216 1.00 29.10 C ATOM 576 O GLY A 41 49.248 88.428 79.599 1.00 28.18 O ATOM 0 H GLY A 41 50.290 91.318 79.051 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.259 89.204 79.637 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.452 90.256 80.783 1.00 28.62 H new ATOM 580 N ALA A 42 50.603 87.680 81.169 1.00 0.00 N ATOM 581 CA ALA A 42 49.668 86.571 81.521 1.00 0.00 C ATOM 582 C ALA A 42 48.769 86.988 82.685 1.00 0.00 C ATOM 583 O ALA A 42 47.641 86.551 82.802 1.00 0.00 O ATOM 584 CB ALA A 42 50.569 85.405 81.928 1.00 0.00 C ATOM 0 H ALA A 42 51.463 87.712 81.717 1.00 0.00 H new ATOM 0 HA ALA A 42 49.011 86.306 80.692 1.00 0.00 H new ATOM 0 HB1 ALA A 42 49.954 84.548 82.202 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.215 85.135 81.092 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.182 85.699 82.780 1.00 0.00 H new ATOM 590 N VAL A 43 49.273 87.831 83.543 1.00 0.00 N ATOM 591 CA VAL A 43 48.467 88.294 84.715 1.00 0.00 C ATOM 592 C VAL A 43 47.958 89.722 84.464 1.00 0.00 C ATOM 593 O VAL A 43 48.670 90.544 83.922 1.00 0.00 O ATOM 594 CB VAL A 43 49.438 88.240 85.902 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.753 88.748 87.171 1.00 0.00 C ATOM 596 CG2 VAL A 43 49.893 86.794 86.119 1.00 0.00 C ATOM 0 H VAL A 43 50.213 88.223 83.485 1.00 0.00 H new ATOM 0 HA VAL A 43 47.585 87.680 84.897 1.00 0.00 H new ATOM 0 HB VAL A 43 50.298 88.873 85.684 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.453 88.704 88.005 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.430 89.778 87.022 1.00 0.00 H new ATOM 0 HG13 VAL A 43 47.887 88.124 87.391 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.583 86.752 86.962 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.026 86.167 86.328 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.394 86.432 85.221 1.00 0.00 H new ATOM 606 N PRO A 44 46.722 89.966 84.857 1.00 21.08 N ATOM 607 CA PRO A 44 46.142 91.331 84.632 1.00 21.01 C ATOM 608 C PRO A 44 47.048 92.436 85.194 1.00 21.95 C ATOM 609 O PRO A 44 47.669 92.286 86.232 1.00 21.40 O ATOM 610 CB PRO A 44 44.803 91.293 85.367 1.00 20.53 C ATOM 611 CG PRO A 44 44.974 90.229 86.390 1.00 18.90 C ATOM 612 CD PRO A 44 45.836 89.184 85.743 1.00 19.89 C ATOM 0 HA PRO A 44 46.035 91.560 83.572 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.575 92.254 85.828 1.00 20.53 H new ATOM 0 HB3 PRO A 44 43.983 91.063 84.687 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.445 90.623 87.291 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.012 89.814 86.689 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.405 88.619 86.482 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.241 88.464 85.181 1.00 19.89 H new ATOM 620 N ALA A 45 47.120 93.540 84.496 1.00 20.91 N ATOM 621 CA ALA A 45 47.978 94.673 84.946 1.00 19.47 C ATOM 622 C ALA A 45 47.274 96.015 84.722 1.00 19.21 C ATOM 623 O ALA A 45 46.456 96.165 83.830 1.00 19.53 O ATOM 624 CB ALA A 45 49.224 94.581 84.067 1.00 18.37 C ATOM 0 H ALA A 45 46.615 93.705 83.625 1.00 20.91 H new ATOM 0 HA ALA A 45 48.206 94.615 86.010 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.915 95.382 84.331 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.709 93.617 84.223 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.938 94.678 83.020 1.00 18.37 H new ATOM 630 N ARG A 46 47.591 96.988 85.534 1.00 0.00 N ATOM 631 CA ARG A 46 46.958 98.333 85.393 1.00 0.00 C ATOM 632 C ARG A 46 48.041 99.414 85.323 1.00 0.00 C ATOM 633 O ARG A 46 49.163 99.204 85.745 1.00 0.00 O ATOM 634 CB ARG A 46 46.094 98.503 86.649 1.00 0.00 C ATOM 635 CG ARG A 46 46.964 98.413 87.907 1.00 0.00 C ATOM 636 CD ARG A 46 46.138 98.829 89.127 1.00 0.00 C ATOM 637 NE ARG A 46 46.969 98.452 90.304 1.00 0.00 N ATOM 638 CZ ARG A 46 46.740 97.331 90.931 1.00 0.00 C ATOM 639 NH1 ARG A 46 45.875 97.294 91.908 1.00 0.00 N ATOM 640 NH2 ARG A 46 47.377 96.246 90.583 1.00 0.00 N ATOM 0 H ARG A 46 48.266 96.909 86.295 1.00 0.00 H new ATOM 0 HA ARG A 46 46.363 98.421 84.484 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.583 99.465 86.620 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.323 97.733 86.676 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.334 97.396 88.034 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.836 99.059 87.807 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.931 99.899 89.117 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.175 98.318 89.144 1.00 0.00 H new ATOM 0 HE ARG A 46 47.717 99.070 90.620 1.00 0.00 H new ATOM 0 HH11 ARG A 46 45.378 98.142 92.181 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.696 96.417 92.398 1.00 0.00 H new ATOM 0 HH21 ARG A 46 48.054 96.274 89.821 1.00 0.00 H new ATOM 0 HH22 ARG A 46 47.198 95.370 91.073 1.00 0.00 H new ATOM 654 N LEU A 47 47.715 100.566 84.793 1.00 0.00 N ATOM 655 CA LEU A 47 48.727 101.660 84.697 1.00 0.00 C ATOM 656 C LEU A 47 48.549 102.632 85.864 1.00 0.00 C ATOM 657 O LEU A 47 47.526 103.280 85.992 1.00 0.00 O ATOM 658 CB LEU A 47 48.436 102.354 83.364 1.00 0.00 C ATOM 659 CG LEU A 47 49.582 103.306 83.015 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.556 103.609 81.517 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.420 104.611 83.798 1.00 0.00 C ATOM 0 H LEU A 47 46.793 100.795 84.423 1.00 0.00 H new ATOM 0 HA LEU A 47 49.751 101.289 84.742 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.315 101.611 82.575 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.499 102.907 83.428 1.00 0.00 H new ATOM 0 HG LEU A 47 50.531 102.839 83.277 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.372 104.287 81.269 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.671 102.682 80.956 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.606 104.075 81.256 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.237 105.289 83.549 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.470 105.077 83.537 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.438 104.399 84.867 1.00 0.00 H new ATOM 673 N VAL A 48 49.535 102.733 86.720 1.00 0.00 N ATOM 674 CA VAL A 48 49.426 103.656 87.888 1.00 0.00 C ATOM 675 C VAL A 48 50.137 104.981 87.593 1.00 0.00 C ATOM 676 O VAL A 48 49.789 106.008 88.147 1.00 0.00 O ATOM 677 CB VAL A 48 50.103 102.921 89.050 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.037 103.781 90.316 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.385 101.594 89.307 1.00 0.00 C ATOM 0 H VAL A 48 50.411 102.215 86.659 1.00 0.00 H new ATOM 0 HA VAL A 48 48.389 103.903 88.118 1.00 0.00 H new ATOM 0 HB VAL A 48 51.145 102.731 88.792 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.520 103.254 91.139 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.549 104.727 90.140 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.995 103.975 90.570 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.868 101.073 90.134 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.342 101.787 89.560 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.432 100.975 88.411 1.00 0.00 H new ATOM 689 N ALA A 49 51.137 104.969 86.742 1.00 0.00 N ATOM 690 CA ALA A 49 51.864 106.241 86.445 1.00 0.00 C ATOM 691 C ALA A 49 52.224 106.358 84.960 1.00 0.00 C ATOM 692 O ALA A 49 52.204 105.396 84.216 1.00 0.00 O ATOM 693 CB ALA A 49 53.129 106.185 87.305 1.00 0.00 C ATOM 0 H ALA A 49 51.476 104.144 86.247 1.00 0.00 H new ATOM 0 HA ALA A 49 51.247 107.111 86.669 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.719 107.087 87.143 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.851 106.117 88.357 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.719 105.311 87.028 1.00 0.00 H new ATOM 699 N ARG A 50 52.554 107.549 84.540 1.00 18.13 N ATOM 700 CA ARG A 50 52.926 107.798 83.117 1.00 20.89 C ATOM 701 C ARG A 50 54.050 108.839 83.037 1.00 22.46 C ATOM 702 O ARG A 50 54.068 109.808 83.773 1.00 23.35 O ATOM 703 CB ARG A 50 51.642 108.326 82.461 1.00 21.09 C ATOM 704 CG ARG A 50 51.221 109.653 83.102 1.00 22.20 C ATOM 705 CD ARG A 50 49.786 109.989 82.688 1.00 26.75 C ATOM 706 NE ARG A 50 49.570 111.387 83.150 1.00 26.68 N ATOM 707 CZ ARG A 50 49.140 112.292 82.312 1.00 28.58 C ATOM 708 NH1 ARG A 50 49.904 112.684 81.330 1.00 29.05 N ATOM 709 NH2 ARG A 50 47.949 112.803 82.458 1.00 27.75 N ATOM 0 H ARG A 50 52.582 108.377 85.135 1.00 18.13 H new ATOM 0 HA ARG A 50 53.296 106.901 82.620 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.803 108.466 81.392 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.843 107.593 82.569 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.290 109.583 84.188 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.896 110.450 82.790 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.657 109.905 81.609 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.072 109.306 83.149 1.00 26.75 H new ATOM 0 HE ARG A 50 49.758 111.638 84.121 1.00 26.68 H new ATOM 0 HH11 ARG A 50 50.835 112.284 81.218 1.00 29.05 H new ATOM 0 HH12 ARG A 50 49.570 113.391 80.675 1.00 29.05 H new ATOM 0 HH21 ARG A 50 47.353 112.496 83.227 1.00 27.75 H new ATOM 0 HH22 ARG A 50 47.614 113.510 81.803 1.00 27.75 H new ATOM 723 N HIS A 51 54.985 108.636 82.143 1.00 22.89 N ATOM 724 CA HIS A 51 56.116 109.597 81.996 1.00 23.99 C ATOM 725 C HIS A 51 56.531 109.703 80.524 1.00 24.58 C ATOM 726 O HIS A 51 57.032 108.763 79.937 1.00 24.14 O ATOM 727 CB HIS A 51 57.250 109.020 82.849 1.00 22.92 C ATOM 728 CG HIS A 51 58.446 109.934 82.790 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.720 109.509 83.136 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.577 111.252 82.426 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.554 110.553 82.971 1.00 26.28 C ATOM 732 NE2 HIS A 51 59.909 111.640 82.540 1.00 25.48 N ATOM 0 H HIS A 51 55.012 107.840 81.506 1.00 22.89 H new ATOM 0 HA HIS A 51 55.849 110.603 82.318 1.00 23.99 H new ATOM 0 HB2 HIS A 51 56.919 108.905 83.881 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.521 108.028 82.488 1.00 22.92 H new ATOM 0 HD1 HIS A 51 59.978 108.576 83.457 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.769 111.891 82.101 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.616 110.516 83.164 1.00 26.28 H new ATOM 740 N TRP A 52 56.323 110.850 79.931 1.00 24.73 N ATOM 741 CA TRP A 52 56.694 111.055 78.498 1.00 24.73 C ATOM 742 C TRP A 52 58.016 111.825 78.377 1.00 25.24 C ATOM 743 O TRP A 52 58.248 112.795 79.075 1.00 25.25 O ATOM 744 CB TRP A 52 55.557 111.897 77.920 1.00 22.37 C ATOM 745 CG TRP A 52 54.412 111.017 77.533 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.233 110.937 78.190 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.319 110.095 76.410 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.420 110.026 77.538 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.047 109.480 76.435 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.209 109.738 75.380 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.668 108.543 75.471 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.831 108.795 74.409 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.563 108.200 74.455 1.00 18.33 C ATOM 0 H TRP A 52 55.907 111.664 80.384 1.00 24.73 H new ATOM 0 HA TRP A 52 56.829 110.107 77.978 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.229 112.632 78.655 1.00 22.37 H new ATOM 0 HB3 TRP A 52 55.910 112.451 77.050 1.00 22.37 H new ATOM 0 HD1 TRP A 52 52.969 111.493 79.078 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.474 109.787 77.836 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.188 110.191 75.335 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.690 108.087 75.511 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.522 108.527 73.623 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.278 107.477 73.705 1.00 18.33 H new ATOM 764 N GLN A 53 58.876 111.394 77.491 1.00 0.00 N ATOM 765 CA GLN A 53 60.189 112.084 77.300 1.00 0.00 C ATOM 766 C GLN A 53 60.270 112.661 75.880 1.00 0.00 C ATOM 767 O GLN A 53 60.892 112.087 75.004 1.00 0.00 O ATOM 768 CB GLN A 53 61.238 110.985 77.489 1.00 0.00 C ATOM 769 CG GLN A 53 61.793 111.043 78.914 1.00 0.00 C ATOM 770 CD GLN A 53 63.057 111.905 78.936 1.00 0.00 C ATOM 771 OE1 GLN A 53 62.992 113.104 78.753 1.00 0.00 O ATOM 772 NE2 GLN A 53 64.213 111.339 79.153 1.00 0.00 N ATOM 0 H GLN A 53 58.724 110.587 76.886 1.00 0.00 H new ATOM 0 HA GLN A 53 60.333 112.912 77.994 1.00 0.00 H new ATOM 0 HB2 GLN A 53 60.793 110.008 77.301 1.00 0.00 H new ATOM 0 HB3 GLN A 53 62.046 111.112 76.768 1.00 0.00 H new ATOM 0 HG2 GLN A 53 61.045 111.458 79.590 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.020 110.037 79.268 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.267 110.332 79.307 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.062 111.904 79.169 1.00 0.00 H new ATOM 781 N ILE A 54 59.633 113.781 75.642 1.00 28.56 N ATOM 782 CA ILE A 54 59.653 114.392 74.274 1.00 31.69 C ATOM 783 C ILE A 54 60.880 115.298 74.066 1.00 31.35 C ATOM 784 O ILE A 54 61.192 116.148 74.878 1.00 31.20 O ATOM 785 CB ILE A 54 58.328 115.184 74.149 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.333 116.425 75.054 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.139 114.291 74.524 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.099 117.278 74.753 1.00 36.11 C ATOM 0 H ILE A 54 59.098 114.301 76.338 1.00 28.56 H new ATOM 0 HA ILE A 54 59.732 113.626 73.503 1.00 31.69 H new ATOM 0 HB ILE A 54 58.233 115.508 73.113 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.334 116.125 76.102 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.240 117.006 74.888 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.214 114.860 74.432 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.105 113.431 73.855 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.253 113.947 75.552 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.101 118.159 75.394 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.118 117.589 73.709 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.198 116.694 74.941 1.00 36.11 H new ATOM 800 N THR A 55 61.563 115.122 72.963 1.00 32.39 N ATOM 801 CA THR A 55 62.753 115.975 72.654 1.00 32.79 C ATOM 802 C THR A 55 62.481 116.738 71.357 1.00 33.98 C ATOM 803 O THR A 55 62.021 116.177 70.380 1.00 33.62 O ATOM 804 CB THR A 55 63.939 115.017 72.503 1.00 32.44 C ATOM 805 OG1 THR A 55 64.124 114.301 73.716 1.00 30.14 O ATOM 806 CG2 THR A 55 65.209 115.806 72.170 1.00 31.51 C ATOM 0 H THR A 55 61.346 114.418 72.257 1.00 32.39 H new ATOM 0 HA THR A 55 62.962 116.708 73.433 1.00 32.79 H new ATOM 0 HB THR A 55 63.735 114.316 71.694 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.881 113.686 73.621 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.048 115.118 72.064 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.065 116.349 71.236 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.419 116.513 72.972 1.00 31.51 H new ATOM 814 N ASP A 56 62.738 118.025 71.354 1.00 36.19 N ATOM 815 CA ASP A 56 62.469 118.840 70.135 1.00 38.66 C ATOM 816 C ASP A 56 63.674 118.836 69.187 1.00 38.50 C ATOM 817 O ASP A 56 64.747 118.371 69.523 1.00 37.75 O ATOM 818 CB ASP A 56 62.179 120.251 70.649 1.00 41.21 C ATOM 819 CG ASP A 56 61.547 121.085 69.534 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.282 121.540 68.672 1.00 43.86 O ATOM 821 OD2 ASP A 56 60.340 121.256 69.561 1.00 45.04 O ATOM 0 H ASP A 56 63.122 118.542 72.145 1.00 36.19 H new ATOM 0 HA ASP A 56 61.634 118.439 69.560 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.508 120.205 71.507 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.101 120.721 70.990 1.00 41.21 H new ATOM 826 N GLY A 57 63.485 119.343 67.997 1.00 37.51 N ATOM 827 CA GLY A 57 64.583 119.373 66.984 1.00 38.01 C ATOM 828 C GLY A 57 65.775 120.229 67.450 1.00 39.47 C ATOM 829 O GLY A 57 66.817 120.215 66.820 1.00 38.99 O ATOM 0 H GLY A 57 62.603 119.744 67.679 1.00 37.51 H new ATOM 0 HA2 GLY A 57 64.922 118.356 66.787 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.198 119.769 66.044 1.00 38.01 H new ATOM 833 N ASN A 58 65.658 120.957 68.540 1.00 0.00 N ATOM 834 CA ASN A 58 66.820 121.777 69.010 1.00 0.00 C ATOM 835 C ASN A 58 67.536 121.087 70.188 1.00 0.00 C ATOM 836 O ASN A 58 68.427 121.654 70.793 1.00 0.00 O ATOM 837 CB ASN A 58 66.232 123.124 69.433 1.00 0.00 C ATOM 838 CG ASN A 58 65.761 123.888 68.194 1.00 0.00 C ATOM 839 OD1 ASN A 58 66.254 123.668 67.106 1.00 0.00 O ATOM 840 ND2 ASN A 58 64.819 124.783 68.315 1.00 0.00 N ATOM 0 H ASN A 58 64.819 121.017 69.116 1.00 0.00 H new ATOM 0 HA ASN A 58 67.569 121.900 68.228 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.397 122.970 70.117 1.00 0.00 H new ATOM 0 HB3 ASN A 58 66.980 123.707 69.970 1.00 0.00 H new ATOM 0 HD21 ASN A 58 64.497 125.298 67.496 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.405 124.968 69.229 1.00 0.00 H new ATOM 847 N GLY A 59 67.172 119.864 70.499 1.00 0.00 N ATOM 848 CA GLY A 59 67.849 119.133 71.614 1.00 0.00 C ATOM 849 C GLY A 59 67.098 119.330 72.934 1.00 0.00 C ATOM 850 O GLY A 59 67.182 118.502 73.822 1.00 0.00 O ATOM 0 H GLY A 59 66.434 119.342 70.027 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.903 118.070 71.377 1.00 0.00 H new ATOM 0 HA3 GLY A 59 68.874 119.489 71.718 1.00 0.00 H new ATOM 854 N ARG A 60 66.369 120.411 73.079 1.00 49.10 N ATOM 855 CA ARG A 60 65.623 120.638 74.359 1.00 50.05 C ATOM 856 C ARG A 60 64.601 119.517 74.564 1.00 49.79 C ATOM 857 O ARG A 60 63.988 119.051 73.620 1.00 48.27 O ATOM 858 CB ARG A 60 64.915 121.990 74.185 1.00 52.38 C ATOM 859 CG ARG A 60 65.594 123.057 75.060 1.00 55.08 C ATOM 860 CD ARG A 60 66.317 124.078 74.174 1.00 57.97 C ATOM 861 NE ARG A 60 65.245 124.703 73.349 1.00 60.72 N ATOM 862 CZ ARG A 60 65.403 125.913 72.885 1.00 61.65 C ATOM 863 NH1 ARG A 60 66.077 126.107 71.786 1.00 61.80 N ATOM 864 NH2 ARG A 60 64.884 126.927 73.522 1.00 62.78 N ATOM 0 H ARG A 60 66.258 121.140 72.374 1.00 49.10 H new ATOM 0 HA ARG A 60 66.281 120.642 75.228 1.00 50.05 H new ATOM 0 HB2 ARG A 60 64.945 122.293 73.138 1.00 52.38 H new ATOM 0 HB3 ARG A 60 63.864 121.897 74.460 1.00 52.38 H new ATOM 0 HG2 ARG A 60 64.850 123.561 75.677 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.304 122.585 75.739 1.00 55.08 H new ATOM 0 HD2 ARG A 60 66.837 124.824 74.775 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.066 123.595 73.547 1.00 57.97 H new ATOM 0 HE ARG A 60 64.389 124.186 73.147 1.00 60.72 H new ATOM 0 HH11 ARG A 60 66.481 125.313 71.289 1.00 61.80 H new ATOM 0 HH12 ARG A 60 66.200 127.052 71.424 1.00 61.80 H new ATOM 0 HH21 ARG A 60 64.356 126.773 74.381 1.00 62.78 H new ATOM 0 HH22 ARG A 60 65.007 127.873 73.161 1.00 62.78 H new ATOM 878 N THR A 61 64.422 119.070 75.784 1.00 0.00 N ATOM 879 CA THR A 61 63.448 117.963 76.033 1.00 0.00 C ATOM 880 C THR A 61 62.486 118.336 77.162 1.00 0.00 C ATOM 881 O THR A 61 62.847 119.042 78.085 1.00 0.00 O ATOM 882 CB THR A 61 64.302 116.758 76.441 1.00 0.00 C ATOM 883 OG1 THR A 61 64.999 117.063 77.642 1.00 0.00 O ATOM 884 CG2 THR A 61 65.309 116.430 75.337 1.00 0.00 C ATOM 0 H THR A 61 64.904 119.421 76.611 1.00 0.00 H new ATOM 0 HA THR A 61 62.839 117.755 75.153 1.00 0.00 H new ATOM 0 HB THR A 61 63.654 115.896 76.598 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.545 116.294 77.907 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.911 115.572 75.637 1.00 0.00 H new ATOM 0 HG22 THR A 61 64.775 116.195 74.416 1.00 0.00 H new ATOM 0 HG23 THR A 61 65.959 117.289 75.170 1.00 0.00 H new ATOM 892 N GLU A 62 61.267 117.864 77.097 1.00 0.00 N ATOM 893 CA GLU A 62 60.279 118.187 78.169 1.00 0.00 C ATOM 894 C GLU A 62 59.756 116.894 78.799 1.00 0.00 C ATOM 895 O GLU A 62 59.191 116.046 78.131 1.00 0.00 O ATOM 896 CB GLU A 62 59.151 118.934 77.456 1.00 0.00 C ATOM 897 CG GLU A 62 58.153 119.462 78.490 1.00 0.00 C ATOM 898 CD GLU A 62 58.830 120.519 79.368 1.00 0.00 C ATOM 899 OE1 GLU A 62 59.699 121.213 78.864 1.00 0.00 O ATOM 900 OE2 GLU A 62 58.465 120.618 80.527 1.00 0.00 O ATOM 0 H GLU A 62 60.914 117.269 76.348 1.00 0.00 H new ATOM 0 HA GLU A 62 60.713 118.782 78.972 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.559 119.760 76.874 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.647 118.269 76.755 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.287 119.893 77.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.787 118.642 79.108 1.00 0.00 H new ATOM 907 N GLN A 63 59.953 116.738 80.083 1.00 0.00 N ATOM 908 CA GLN A 63 59.484 115.503 80.777 1.00 0.00 C ATOM 909 C GLN A 63 58.217 115.787 81.588 1.00 0.00 C ATOM 910 O GLN A 63 58.120 116.785 82.275 1.00 0.00 O ATOM 911 CB GLN A 63 60.633 115.136 81.717 1.00 0.00 C ATOM 912 CG GLN A 63 61.826 114.645 80.896 1.00 0.00 C ATOM 913 CD GLN A 63 62.976 114.276 81.836 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.532 115.131 82.498 1.00 0.00 O ATOM 915 NE2 GLN A 63 63.358 113.032 81.925 1.00 0.00 N ATOM 0 H GLN A 63 60.421 117.417 80.683 1.00 0.00 H new ATOM 0 HA GLN A 63 59.238 114.705 80.076 1.00 0.00 H new ATOM 0 HB2 GLN A 63 60.920 116.002 82.313 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.314 114.361 82.414 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.538 113.780 80.299 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.146 115.420 80.200 1.00 0.00 H new ATOM 0 HE21 GLN A 63 62.892 112.314 81.370 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.123 112.777 82.550 1.00 0.00 H new ATOM 924 N VAL A 64 57.252 114.908 81.512 1.00 37.94 N ATOM 925 CA VAL A 64 55.985 115.112 82.279 1.00 37.05 C ATOM 926 C VAL A 64 55.668 113.859 83.098 1.00 36.89 C ATOM 927 O VAL A 64 55.702 112.752 82.601 1.00 36.32 O ATOM 928 CB VAL A 64 54.905 115.373 81.224 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.556 115.597 81.912 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.272 116.620 80.414 1.00 35.74 C ATOM 0 H VAL A 64 57.286 114.056 80.952 1.00 37.94 H new ATOM 0 HA VAL A 64 56.053 115.941 82.983 1.00 37.05 H new ATOM 0 HB VAL A 64 54.836 114.511 80.560 1.00 36.50 H new ATOM 0 HG11 VAL A 64 52.790 115.782 81.159 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.291 114.711 82.489 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.626 116.457 82.578 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.504 116.806 79.663 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.343 117.479 81.081 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.231 116.464 79.920 1.00 35.74 H new ATOM 940 N ASP A 65 55.373 114.040 84.359 1.00 0.00 N ATOM 941 CA ASP A 65 55.064 112.882 85.251 1.00 0.00 C ATOM 942 C ASP A 65 53.699 113.072 85.923 1.00 0.00 C ATOM 943 O ASP A 65 53.433 114.093 86.529 1.00 0.00 O ATOM 944 CB ASP A 65 56.185 112.874 86.298 1.00 0.00 C ATOM 945 CG ASP A 65 56.203 114.202 87.064 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.382 115.229 86.429 1.00 0.00 O ATOM 947 OD2 ASP A 65 56.037 114.168 88.273 1.00 0.00 O ATOM 0 H ASP A 65 55.332 114.952 84.814 1.00 0.00 H new ATOM 0 HA ASP A 65 55.014 111.943 84.700 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.038 112.047 86.993 1.00 0.00 H new ATOM 0 HB3 ASP A 65 57.147 112.714 85.811 1.00 0.00 H new ATOM 952 N GLY A 66 52.838 112.091 85.823 1.00 31.82 N ATOM 953 CA GLY A 66 51.491 112.197 86.459 1.00 29.07 C ATOM 954 C GLY A 66 50.978 110.793 86.786 1.00 27.67 C ATOM 955 O GLY A 66 51.552 109.804 86.370 1.00 27.18 O ATOM 0 H GLY A 66 53.012 111.218 85.326 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.551 112.796 87.368 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.797 112.704 85.788 1.00 29.07 H new ATOM 959 N GLU A 67 49.902 110.697 87.524 1.00 0.00 N ATOM 960 CA GLU A 67 49.345 109.356 87.877 1.00 0.00 C ATOM 961 C GLU A 67 48.008 109.142 87.161 1.00 0.00 C ATOM 962 O GLU A 67 47.366 110.086 86.742 1.00 0.00 O ATOM 963 CB GLU A 67 49.144 109.394 89.392 1.00 0.00 C ATOM 964 CG GLU A 67 50.507 109.393 90.086 1.00 0.00 C ATOM 965 CD GLU A 67 50.308 109.431 91.603 1.00 0.00 C ATOM 966 OE1 GLU A 67 50.083 110.511 92.124 1.00 0.00 O ATOM 967 OE2 GLU A 67 50.384 108.379 92.217 1.00 0.00 O ATOM 0 H GLU A 67 49.384 111.492 87.898 1.00 0.00 H new ATOM 0 HA GLU A 67 50.003 108.540 87.578 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.581 110.284 89.673 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.559 108.532 89.714 1.00 0.00 H new ATOM 0 HG2 GLU A 67 51.069 108.503 89.805 1.00 0.00 H new ATOM 0 HG3 GLU A 67 51.092 110.255 89.764 1.00 0.00 H new ATOM 974 N GLY A 68 47.573 107.909 87.030 1.00 22.62 N ATOM 975 CA GLY A 68 46.264 107.621 86.357 1.00 22.36 C ATOM 976 C GLY A 68 46.164 108.340 85.005 1.00 20.38 C ATOM 977 O GLY A 68 45.768 109.488 84.938 1.00 21.93 O ATOM 0 H GLY A 68 48.073 107.084 87.363 1.00 22.62 H new ATOM 0 HA2 GLY A 68 46.157 106.546 86.209 1.00 22.36 H new ATOM 0 HA3 GLY A 68 45.444 107.937 87.001 1.00 22.36 H new ATOM 981 N VAL A 69 46.526 107.676 83.930 1.00 17.51 N ATOM 982 CA VAL A 69 46.465 108.307 82.560 1.00 15.40 C ATOM 983 C VAL A 69 45.153 109.073 82.344 1.00 17.02 C ATOM 984 O VAL A 69 44.078 108.596 82.637 1.00 17.35 O ATOM 985 CB VAL A 69 46.578 107.147 81.559 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.988 106.560 81.617 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.550 106.054 81.886 1.00 8.21 C ATOM 0 H VAL A 69 46.865 106.714 83.939 1.00 17.51 H new ATOM 0 HA VAL A 69 47.266 109.036 82.435 1.00 15.40 H new ATOM 0 HB VAL A 69 46.379 107.526 80.556 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.069 105.737 80.907 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.714 107.332 81.362 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.188 106.192 82.623 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.644 105.240 81.167 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.731 105.673 82.891 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.545 106.472 81.832 1.00 8.21 H new ATOM 997 N VAL A 70 45.277 110.280 81.844 1.00 17.68 N ATOM 998 CA VAL A 70 44.102 111.183 81.586 1.00 16.81 C ATOM 999 C VAL A 70 43.078 111.125 82.737 1.00 17.08 C ATOM 1000 O VAL A 70 41.882 111.193 82.530 1.00 16.77 O ATOM 1001 CB VAL A 70 43.496 110.767 80.230 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.587 110.746 79.154 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.851 109.383 80.328 1.00 20.55 C ATOM 0 H VAL A 70 46.176 110.693 81.595 1.00 17.68 H new ATOM 0 HA VAL A 70 44.419 112.225 81.541 1.00 16.81 H new ATOM 0 HB VAL A 70 42.730 111.494 79.960 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.151 110.451 78.199 1.00 19.36 H new ATOM 0 HG12 VAL A 70 45.026 111.739 79.061 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.361 110.032 79.435 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.430 109.109 79.361 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.604 108.650 80.617 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.059 109.403 81.076 1.00 20.55 H new ATOM 1013 N GLY A 71 43.565 111.043 83.951 1.00 17.30 N ATOM 1014 CA GLY A 71 42.669 111.029 85.148 1.00 16.44 C ATOM 1015 C GLY A 71 42.112 109.631 85.449 1.00 18.03 C ATOM 1016 O GLY A 71 41.131 109.506 86.160 1.00 18.29 O ATOM 0 H GLY A 71 44.560 110.984 84.166 1.00 17.30 H new ATOM 0 HA2 GLY A 71 43.221 111.391 86.015 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.841 111.719 84.986 1.00 16.44 H new ATOM 1020 N GLU A 72 42.713 108.582 84.938 1.00 0.00 N ATOM 1021 CA GLU A 72 42.174 107.216 85.243 1.00 0.00 C ATOM 1022 C GLU A 72 43.277 106.152 85.311 1.00 0.00 C ATOM 1023 O GLU A 72 44.323 106.257 84.692 1.00 0.00 O ATOM 1024 CB GLU A 72 41.175 106.893 84.129 1.00 0.00 C ATOM 1025 CG GLU A 72 41.873 106.920 82.774 1.00 0.00 C ATOM 1026 CD GLU A 72 41.038 106.141 81.757 1.00 0.00 C ATOM 1027 OE1 GLU A 72 41.188 104.931 81.700 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.263 106.766 81.054 1.00 0.00 O ATOM 0 H GLU A 72 43.536 108.609 84.336 1.00 0.00 H new ATOM 0 HA GLU A 72 41.702 107.209 86.226 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.733 105.911 84.300 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.359 107.616 84.141 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.005 107.949 82.441 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.868 106.482 82.856 1.00 0.00 H new ATOM 1035 N GLN A 73 43.016 105.122 86.071 1.00 13.09 N ATOM 1036 CA GLN A 73 43.979 103.995 86.233 1.00 15.45 C ATOM 1037 C GLN A 73 43.326 102.712 85.693 1.00 15.30 C ATOM 1038 O GLN A 73 42.909 101.860 86.454 1.00 16.40 O ATOM 1039 CB GLN A 73 44.195 103.889 87.745 1.00 18.12 C ATOM 1040 CG GLN A 73 45.010 105.088 88.231 1.00 18.21 C ATOM 1041 CD GLN A 73 45.045 105.096 89.759 1.00 16.98 C ATOM 1042 OE1 GLN A 73 44.234 105.739 90.394 1.00 18.14 O ATOM 1043 NE2 GLN A 73 45.960 104.404 90.383 1.00 14.04 N ATOM 0 H GLN A 73 42.151 105.013 86.600 1.00 13.09 H new ATOM 0 HA GLN A 73 44.918 104.144 85.700 1.00 15.45 H new ATOM 0 HB2 GLN A 73 43.234 103.857 88.259 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.715 102.962 87.984 1.00 18.12 H new ATOM 0 HG2 GLN A 73 46.024 105.037 87.834 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.569 106.014 87.862 1.00 18.21 H new ATOM 0 HE21 GLN A 73 46.642 103.863 89.851 1.00 14.04 H new ATOM 0 HE22 GLN A 73 45.993 104.404 91.402 1.00 14.04 H new ATOM 1052 N PRO A 74 43.231 102.631 84.383 1.00 15.25 N ATOM 1053 CA PRO A 74 42.576 101.435 83.773 1.00 16.63 C ATOM 1054 C PRO A 74 43.217 100.122 84.241 1.00 17.41 C ATOM 1055 O PRO A 74 44.422 100.013 84.379 1.00 17.61 O ATOM 1056 CB PRO A 74 42.782 101.621 82.273 1.00 16.18 C ATOM 1057 CG PRO A 74 43.988 102.486 82.159 1.00 16.38 C ATOM 1058 CD PRO A 74 43.987 103.385 83.362 1.00 13.89 C ATOM 0 HA PRO A 74 41.527 101.364 84.059 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.933 100.664 81.773 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.914 102.090 81.810 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.895 101.883 82.127 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.960 103.070 81.239 1.00 16.38 H new ATOM 0 HD2 PRO A 74 45.001 103.601 83.698 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.513 104.342 83.143 1.00 13.89 H new ATOM 1066 N TRP A 75 42.404 99.121 84.462 1.00 0.00 N ATOM 1067 CA TRP A 75 42.920 97.790 84.898 1.00 0.00 C ATOM 1068 C TRP A 75 42.962 96.857 83.686 1.00 0.00 C ATOM 1069 O TRP A 75 42.102 96.015 83.508 1.00 0.00 O ATOM 1070 CB TRP A 75 41.907 97.292 85.931 1.00 0.00 C ATOM 1071 CG TRP A 75 42.616 96.534 87.007 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.331 97.095 88.008 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.691 95.093 87.206 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.841 96.089 88.811 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.475 94.837 88.357 1.00 0.00 C ATOM 1076 CE3 TRP A 75 42.162 93.992 86.508 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.724 93.538 88.799 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 42.411 92.683 86.950 1.00 0.00 C ATOM 1079 CH2 TRP A 75 43.189 92.456 88.094 1.00 0.00 C ATOM 0 H TRP A 75 41.391 99.171 84.357 1.00 0.00 H new ATOM 0 HA TRP A 75 43.925 97.835 85.317 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.368 98.136 86.362 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.167 96.653 85.450 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.480 98.154 88.157 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.417 96.253 89.637 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.560 94.155 85.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.326 93.369 89.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 42.001 91.846 86.405 1.00 0.00 H new ATOM 0 HH2 TRP A 75 43.375 91.447 88.430 1.00 0.00 H new ATOM 1090 N LEU A 76 43.943 97.024 82.839 1.00 18.07 N ATOM 1091 CA LEU A 76 44.035 96.175 81.613 1.00 17.96 C ATOM 1092 C LEU A 76 44.169 94.692 81.960 1.00 19.47 C ATOM 1093 O LEU A 76 45.136 94.268 82.566 1.00 20.57 O ATOM 1094 CB LEU A 76 45.287 96.659 80.878 1.00 16.79 C ATOM 1095 CG LEU A 76 44.902 97.741 79.869 1.00 17.27 C ATOM 1096 CD1 LEU A 76 46.166 98.297 79.217 1.00 13.86 C ATOM 1097 CD2 LEU A 76 44.003 97.140 78.786 1.00 15.14 C ATOM 0 H LEU A 76 44.687 97.714 82.943 1.00 18.07 H new ATOM 0 HA LEU A 76 43.133 96.266 81.007 1.00 17.96 H new ATOM 0 HB2 LEU A 76 46.010 97.054 81.592 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.766 95.824 80.367 1.00 16.79 H new ATOM 0 HG LEU A 76 44.368 98.540 80.384 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.895 99.069 78.497 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.812 98.726 79.983 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.695 97.493 78.705 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.730 97.914 78.069 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.537 96.341 78.272 1.00 15.14 H new ATOM 0 HD23 LEU A 76 43.100 96.737 79.245 1.00 15.14 H new ATOM 1109 N ARG A 77 43.214 93.902 81.546 1.00 0.00 N ATOM 1110 CA ARG A 77 43.279 92.437 81.805 1.00 0.00 C ATOM 1111 C ARG A 77 44.088 91.780 80.683 1.00 0.00 C ATOM 1112 O ARG A 77 44.205 92.344 79.610 1.00 0.00 O ATOM 1113 CB ARG A 77 41.824 91.962 81.779 1.00 0.00 C ATOM 1114 CG ARG A 77 41.157 92.277 83.122 1.00 0.00 C ATOM 1115 CD ARG A 77 40.387 93.600 83.019 1.00 0.00 C ATOM 1116 NE ARG A 77 38.948 93.210 83.010 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.278 93.162 84.129 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.688 94.234 84.581 1.00 0.00 N ATOM 1119 NH2 ARG A 77 38.199 92.043 84.795 1.00 0.00 N ATOM 0 H ARG A 77 42.387 94.213 81.036 1.00 0.00 H new ATOM 0 HA ARG A 77 43.757 92.186 82.752 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.285 92.454 80.969 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.784 90.890 81.584 1.00 0.00 H new ATOM 0 HG2 ARG A 77 40.478 91.471 83.400 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.911 92.344 83.907 1.00 0.00 H new ATOM 0 HD2 ARG A 77 40.613 94.255 83.861 1.00 0.00 H new ATOM 0 HD3 ARG A 77 40.654 94.143 82.112 1.00 0.00 H new ATOM 0 HE ARG A 77 38.487 92.981 82.129 1.00 0.00 H new ATOM 0 HH11 ARG A 77 37.751 95.109 84.060 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.164 94.198 85.455 1.00 0.00 H new ATOM 0 HH21 ARG A 77 38.661 91.205 84.441 1.00 0.00 H new ATOM 0 HH22 ARG A 77 37.675 92.006 85.670 1.00 0.00 H new ATOM 1133 N PRO A 78 44.635 90.615 80.954 1.00 23.86 N ATOM 1134 CA PRO A 78 45.446 89.944 79.888 1.00 24.22 C ATOM 1135 C PRO A 78 44.647 89.822 78.579 1.00 24.36 C ATOM 1136 O PRO A 78 43.538 89.324 78.555 1.00 22.27 O ATOM 1137 CB PRO A 78 45.774 88.574 80.469 1.00 25.39 C ATOM 1138 CG PRO A 78 44.693 88.318 81.462 1.00 27.04 C ATOM 1139 CD PRO A 78 44.297 89.658 82.022 1.00 25.13 C ATOM 0 HA PRO A 78 46.343 90.507 79.631 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.790 87.808 79.694 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.756 88.569 80.942 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.841 87.828 80.990 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.043 87.655 82.254 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.234 89.690 82.263 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.839 89.881 82.941 1.00 25.13 H new ATOM 1147 N GLY A 79 45.224 90.280 77.498 1.00 24.74 N ATOM 1148 CA GLY A 79 44.533 90.206 76.175 1.00 23.79 C ATOM 1149 C GLY A 79 43.677 91.461 75.935 1.00 23.44 C ATOM 1150 O GLY A 79 43.283 91.736 74.816 1.00 22.44 O ATOM 0 H GLY A 79 46.151 90.705 77.475 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.271 90.106 75.379 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.902 89.318 76.138 1.00 23.79 H new ATOM 1154 N GLU A 80 43.385 92.225 76.964 1.00 23.31 N ATOM 1155 CA GLU A 80 42.554 93.458 76.775 1.00 21.90 C ATOM 1156 C GLU A 80 43.440 94.649 76.398 1.00 20.95 C ATOM 1157 O GLU A 80 44.648 94.607 76.537 1.00 19.52 O ATOM 1158 CB GLU A 80 41.877 93.695 78.125 1.00 23.06 C ATOM 1159 CG GLU A 80 40.525 94.380 77.910 1.00 23.88 C ATOM 1160 CD GLU A 80 39.584 93.432 77.163 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.660 92.239 77.406 1.00 29.38 O ATOM 1162 OE2 GLU A 80 38.803 93.916 76.360 1.00 25.91 O ATOM 0 H GLU A 80 43.685 92.048 77.923 1.00 23.31 H new ATOM 0 HA GLU A 80 41.827 93.342 75.971 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.737 92.747 78.644 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.513 94.314 78.758 1.00 23.06 H new ATOM 0 HG2 GLU A 80 40.090 94.659 78.870 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.658 95.300 77.341 1.00 23.88 H new ATOM 1169 N ALA A 81 42.842 95.712 75.917 1.00 0.00 N ATOM 1170 CA ALA A 81 43.632 96.916 75.520 1.00 0.00 C ATOM 1171 C ALA A 81 42.835 98.191 75.825 1.00 0.00 C ATOM 1172 O ALA A 81 41.619 98.199 75.774 1.00 0.00 O ATOM 1173 CB ALA A 81 43.859 96.768 74.016 1.00 0.00 C ATOM 0 H ALA A 81 41.834 95.796 75.782 1.00 0.00 H new ATOM 0 HA ALA A 81 44.574 96.991 76.064 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.435 97.618 73.650 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.407 95.847 73.820 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.897 96.734 73.504 1.00 0.00 H new ATOM 1179 N PHE A 82 43.513 99.271 76.126 1.00 18.56 N ATOM 1180 CA PHE A 82 42.806 100.556 76.418 1.00 17.00 C ATOM 1181 C PHE A 82 43.254 101.617 75.407 1.00 16.61 C ATOM 1182 O PHE A 82 44.380 101.595 74.944 1.00 15.77 O ATOM 1183 CB PHE A 82 43.240 100.935 77.837 1.00 13.41 C ATOM 1184 CG PHE A 82 42.583 102.235 78.240 1.00 12.03 C ATOM 1185 CD1 PHE A 82 43.218 103.454 77.974 1.00 12.24 C ATOM 1186 CD2 PHE A 82 41.335 102.220 78.874 1.00 10.24 C ATOM 1187 CE1 PHE A 82 42.605 104.658 78.343 1.00 8.77 C ATOM 1188 CE2 PHE A 82 40.723 103.424 79.244 1.00 10.01 C ATOM 1189 CZ PHE A 82 41.359 104.643 78.979 1.00 9.06 C ATOM 0 H PHE A 82 44.530 99.318 76.182 1.00 18.56 H new ATOM 0 HA PHE A 82 41.722 100.473 76.344 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.964 100.145 78.535 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.324 101.035 77.882 1.00 13.41 H new ATOM 0 HD1 PHE A 82 44.181 103.466 77.484 1.00 12.24 H new ATOM 0 HD2 PHE A 82 40.844 101.280 79.078 1.00 10.24 H new ATOM 0 HE1 PHE A 82 43.094 105.598 78.136 1.00 8.77 H new ATOM 0 HE2 PHE A 82 39.760 103.412 79.734 1.00 10.01 H new ATOM 0 HZ PHE A 82 40.888 105.572 79.266 1.00 9.06 H new ATOM 1199 N HIS A 83 42.392 102.542 75.052 1.00 0.00 N ATOM 1200 CA HIS A 83 42.797 103.589 74.061 1.00 0.00 C ATOM 1201 C HIS A 83 42.175 104.951 74.403 1.00 0.00 C ATOM 1202 O HIS A 83 41.023 105.041 74.784 1.00 0.00 O ATOM 1203 CB HIS A 83 42.283 103.081 72.708 1.00 0.00 C ATOM 1204 CG HIS A 83 40.786 102.907 72.752 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.913 103.951 72.489 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.997 101.818 73.027 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.661 103.474 72.610 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.655 102.179 72.938 1.00 0.00 N ATOM 0 H HIS A 83 41.437 102.617 75.401 1.00 0.00 H new ATOM 0 HA HIS A 83 43.876 103.742 74.058 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.552 103.786 71.921 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.760 102.132 72.463 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.361 100.832 73.275 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.770 104.066 72.460 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.842 101.583 73.091 1.00 0.00 H new ATOM 1216 N TYR A 84 42.930 106.009 74.240 1.00 21.96 N ATOM 1217 CA TYR A 84 42.400 107.376 74.522 1.00 22.81 C ATOM 1218 C TYR A 84 43.125 108.403 73.638 1.00 25.11 C ATOM 1219 O TYR A 84 44.192 108.135 73.118 1.00 26.65 O ATOM 1220 CB TYR A 84 42.646 107.624 76.019 1.00 19.35 C ATOM 1221 CG TYR A 84 44.127 107.686 76.323 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.835 106.511 76.597 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.785 108.922 76.345 1.00 15.59 C ATOM 1224 CE1 TYR A 84 46.202 106.569 76.891 1.00 9.20 C ATOM 1225 CE2 TYR A 84 46.152 108.981 76.641 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.861 107.804 76.914 1.00 12.19 C ATOM 1227 OH TYR A 84 48.207 107.862 77.205 1.00 13.46 O ATOM 0 H TYR A 84 43.898 105.982 73.921 1.00 21.96 H new ATOM 0 HA TYR A 84 41.338 107.469 74.296 1.00 22.81 H new ATOM 0 HB2 TYR A 84 42.170 108.558 76.319 1.00 19.35 H new ATOM 0 HB3 TYR A 84 42.184 106.828 76.604 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.326 105.558 76.582 1.00 12.01 H new ATOM 0 HD2 TYR A 84 44.238 109.829 76.134 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.748 105.661 77.100 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.660 109.934 76.659 1.00 14.00 H new ATOM 0 HH TYR A 84 48.508 108.794 77.178 1.00 13.46 H new ATOM 1237 N THR A 85 42.548 109.565 73.453 1.00 26.58 N ATOM 1238 CA THR A 85 43.198 110.598 72.585 1.00 26.99 C ATOM 1239 C THR A 85 43.867 111.686 73.431 1.00 28.14 C ATOM 1240 O THR A 85 43.318 112.150 74.412 1.00 27.02 O ATOM 1241 CB THR A 85 42.057 111.191 71.758 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.387 110.148 71.062 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.621 112.197 70.753 1.00 21.76 C ATOM 0 H THR A 85 41.657 109.843 73.864 1.00 26.58 H new ATOM 0 HA THR A 85 43.982 110.168 71.962 1.00 26.99 H new ATOM 0 HB THR A 85 41.354 111.698 72.419 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.654 110.526 70.533 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.806 112.619 70.164 1.00 21.76 H new ATOM 0 HG22 THR A 85 43.134 112.996 71.287 1.00 21.76 H new ATOM 0 HG23 THR A 85 43.325 111.694 70.090 1.00 21.76 H new ATOM 1251 N SER A 86 45.052 112.097 73.048 1.00 29.06 N ATOM 1252 CA SER A 86 45.770 113.159 73.814 1.00 29.05 C ATOM 1253 C SER A 86 46.127 114.325 72.881 1.00 29.43 C ATOM 1254 O SER A 86 46.046 114.197 71.669 1.00 29.12 O ATOM 1255 CB SER A 86 47.037 112.480 74.324 1.00 29.12 C ATOM 1256 OG SER A 86 47.915 113.466 74.850 1.00 33.88 O ATOM 0 H SER A 86 45.553 111.740 72.234 1.00 29.06 H new ATOM 0 HA SER A 86 45.169 113.569 74.626 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.788 111.749 75.094 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.524 111.937 73.514 1.00 29.12 H new ATOM 0 HG SER A 86 48.605 113.677 74.187 1.00 33.88 H new ATOM 1262 N GLY A 87 46.531 115.452 73.422 1.00 29.08 N ATOM 1263 CA GLY A 87 46.892 116.609 72.547 1.00 29.89 C ATOM 1264 C GLY A 87 48.072 117.387 73.142 1.00 31.80 C ATOM 1265 O GLY A 87 48.026 117.841 74.270 1.00 31.40 O ATOM 0 H GLY A 87 46.625 115.618 74.424 1.00 29.08 H new ATOM 0 HA2 GLY A 87 47.150 116.252 71.550 1.00 29.89 H new ATOM 0 HA3 GLY A 87 46.032 117.270 72.436 1.00 29.89 H new ATOM 1269 N VAL A 88 49.123 117.548 72.380 1.00 0.00 N ATOM 1270 CA VAL A 88 50.319 118.304 72.871 1.00 0.00 C ATOM 1271 C VAL A 88 50.752 119.335 71.823 1.00 0.00 C ATOM 1272 O VAL A 88 50.493 119.178 70.644 1.00 0.00 O ATOM 1273 CB VAL A 88 51.415 117.258 73.092 1.00 0.00 C ATOM 1274 CG1 VAL A 88 50.974 116.279 74.180 1.00 0.00 C ATOM 1275 CG2 VAL A 88 51.676 116.490 71.790 1.00 0.00 C ATOM 0 H VAL A 88 49.206 117.186 71.430 1.00 0.00 H new ATOM 0 HA VAL A 88 50.107 118.850 73.790 1.00 0.00 H new ATOM 0 HB VAL A 88 52.331 117.761 73.401 1.00 0.00 H new ATOM 0 HG11 VAL A 88 51.754 115.534 74.337 1.00 0.00 H new ATOM 0 HG12 VAL A 88 50.798 116.822 75.109 1.00 0.00 H new ATOM 0 HG13 VAL A 88 50.055 115.782 73.871 1.00 0.00 H new ATOM 0 HG21 VAL A 88 52.457 115.748 71.956 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.761 115.989 71.473 1.00 0.00 H new ATOM 0 HG23 VAL A 88 51.996 117.186 71.015 1.00 0.00 H new ATOM 1285 N LEU A 89 51.400 120.392 72.248 1.00 0.00 N ATOM 1286 CA LEU A 89 51.840 121.445 71.281 1.00 0.00 C ATOM 1287 C LEU A 89 53.363 121.425 71.109 1.00 0.00 C ATOM 1288 O LEU A 89 54.099 121.162 72.043 1.00 0.00 O ATOM 1289 CB LEU A 89 51.392 122.764 71.911 1.00 0.00 C ATOM 1290 CG LEU A 89 51.521 123.891 70.885 1.00 0.00 C ATOM 1291 CD1 LEU A 89 50.285 123.905 69.987 1.00 0.00 C ATOM 1292 CD2 LEU A 89 51.637 125.232 71.614 1.00 0.00 C ATOM 0 H LEU A 89 51.643 120.571 73.222 1.00 0.00 H new ATOM 0 HA LEU A 89 51.414 121.292 70.289 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.359 122.684 72.251 1.00 0.00 H new ATOM 0 HB3 LEU A 89 52.000 122.985 72.788 1.00 0.00 H new ATOM 0 HG LEU A 89 52.411 123.730 70.276 1.00 0.00 H new ATOM 0 HD11 LEU A 89 50.376 124.708 69.255 1.00 0.00 H new ATOM 0 HD12 LEU A 89 50.201 122.950 69.469 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.395 124.067 70.595 1.00 0.00 H new ATOM 0 HD21 LEU A 89 51.729 126.036 70.884 1.00 0.00 H new ATOM 0 HD22 LEU A 89 50.747 125.394 72.222 1.00 0.00 H new ATOM 0 HD23 LEU A 89 52.518 125.222 72.256 1.00 0.00 H new ATOM 1304 N LEU A 90 53.836 121.698 69.918 1.00 37.85 N ATOM 1305 CA LEU A 90 55.311 121.696 69.673 1.00 36.74 C ATOM 1306 C LEU A 90 55.764 123.060 69.145 1.00 35.30 C ATOM 1307 O LEU A 90 55.038 123.729 68.431 1.00 35.10 O ATOM 1308 CB LEU A 90 55.537 120.613 68.619 1.00 38.41 C ATOM 1309 CG LEU A 90 55.353 119.233 69.254 1.00 38.68 C ATOM 1310 CD1 LEU A 90 55.431 118.156 68.170 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.459 118.998 70.287 1.00 38.08 C ATOM 0 H LEU A 90 53.263 121.922 69.104 1.00 37.85 H new ATOM 0 HA LEU A 90 55.879 121.504 70.584 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.836 120.742 67.795 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.540 120.702 68.201 1.00 38.41 H new ATOM 0 HG LEU A 90 54.380 119.185 69.743 1.00 38.68 H new ATOM 0 HD11 LEU A 90 55.300 117.173 68.623 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.645 118.324 67.433 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.404 118.203 67.680 1.00 37.80 H new ATOM 0 HD21 LEU A 90 56.330 118.015 70.741 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.431 119.046 69.797 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.404 119.765 71.060 1.00 38.08 H new ATOM 1323 N GLU A 91 56.955 123.482 69.493 1.00 0.00 N ATOM 1324 CA GLU A 91 57.457 124.806 69.012 1.00 0.00 C ATOM 1325 C GLU A 91 57.893 124.722 67.544 1.00 0.00 C ATOM 1326 O GLU A 91 57.899 125.713 66.840 1.00 0.00 O ATOM 1327 CB GLU A 91 58.656 125.129 69.909 1.00 0.00 C ATOM 1328 CG GLU A 91 59.203 126.516 69.554 1.00 0.00 C ATOM 1329 CD GLU A 91 60.405 126.852 70.446 1.00 0.00 C ATOM 1330 OE1 GLU A 91 60.541 126.241 71.495 1.00 0.00 O ATOM 1331 OE2 GLU A 91 61.172 127.720 70.063 1.00 0.00 O ATOM 0 H GLU A 91 57.601 122.966 70.090 1.00 0.00 H new ATOM 0 HA GLU A 91 56.686 125.575 69.065 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.357 125.102 70.957 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.433 124.376 69.780 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.500 126.541 68.506 1.00 0.00 H new ATOM 0 HG3 GLU A 91 58.423 127.267 69.683 1.00 0.00 H new ATOM 1338 N THR A 92 58.269 123.553 67.081 1.00 31.63 N ATOM 1339 CA THR A 92 58.715 123.418 65.658 1.00 28.98 C ATOM 1340 C THR A 92 57.906 122.336 64.935 1.00 28.33 C ATOM 1341 O THR A 92 57.124 121.624 65.538 1.00 29.20 O ATOM 1342 CB THR A 92 60.193 123.028 65.734 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.322 121.807 66.448 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.980 124.127 66.451 1.00 25.50 C ATOM 0 H THR A 92 58.286 122.690 67.625 1.00 31.63 H new ATOM 0 HA THR A 92 58.567 124.341 65.098 1.00 28.98 H new ATOM 0 HB THR A 92 60.588 122.904 64.726 1.00 29.53 H new ATOM 0 HG1 THR A 92 61.054 121.882 67.095 1.00 29.23 H new ATOM 0 HG21 THR A 92 62.032 123.846 66.503 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.881 125.063 65.901 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.588 124.256 67.460 1.00 25.50 H new ATOM 1352 N GLU A 93 58.081 122.222 63.641 1.00 0.00 N ATOM 1353 CA GLU A 93 57.316 121.205 62.856 1.00 0.00 C ATOM 1354 C GLU A 93 58.025 119.845 62.849 1.00 0.00 C ATOM 1355 O GLU A 93 57.659 118.964 62.092 1.00 0.00 O ATOM 1356 CB GLU A 93 57.264 121.766 61.434 1.00 0.00 C ATOM 1357 CG GLU A 93 56.486 123.081 61.428 1.00 0.00 C ATOM 1358 CD GLU A 93 56.437 123.638 60.005 1.00 0.00 C ATOM 1359 OE1 GLU A 93 57.414 124.240 59.591 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.422 123.455 59.352 1.00 0.00 O ATOM 0 H GLU A 93 58.724 122.793 63.093 1.00 0.00 H new ATOM 0 HA GLU A 93 56.329 121.037 63.286 1.00 0.00 H new ATOM 0 HB2 GLU A 93 58.275 121.928 61.060 1.00 0.00 H new ATOM 0 HB3 GLU A 93 56.788 121.048 60.766 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.475 122.919 61.802 1.00 0.00 H new ATOM 0 HG3 GLU A 93 56.961 123.800 62.095 1.00 0.00 H new ATOM 1367 N GLN A 94 59.027 119.655 63.675 1.00 0.00 N ATOM 1368 CA GLN A 94 59.733 118.337 63.691 1.00 0.00 C ATOM 1369 C GLN A 94 60.083 117.946 65.130 1.00 0.00 C ATOM 1370 O GLN A 94 60.342 118.806 65.954 1.00 0.00 O ATOM 1371 CB GLN A 94 61.005 118.551 62.861 1.00 0.00 C ATOM 1372 CG GLN A 94 61.849 119.677 63.471 1.00 0.00 C ATOM 1373 CD GLN A 94 62.983 120.042 62.511 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.789 120.090 61.313 1.00 0.00 O ATOM 1375 NE2 GLN A 94 64.169 120.302 62.991 1.00 0.00 N ATOM 0 H GLN A 94 59.383 120.349 64.332 1.00 0.00 H new ATOM 0 HA GLN A 94 59.119 117.534 63.284 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.585 117.629 62.826 1.00 0.00 H new ATOM 0 HB3 GLN A 94 60.740 118.800 61.833 1.00 0.00 H new ATOM 0 HG2 GLN A 94 61.225 120.550 63.663 1.00 0.00 H new ATOM 0 HG3 GLN A 94 62.258 119.360 64.430 1.00 0.00 H new ATOM 0 HE21 GLN A 94 64.332 120.262 63.997 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.932 120.545 62.360 1.00 0.00 H new ATOM 1384 N GLY A 95 60.104 116.671 65.448 1.00 27.89 N ATOM 1385 CA GLY A 95 60.453 116.281 66.849 1.00 28.05 C ATOM 1386 C GLY A 95 60.319 114.774 67.077 1.00 27.70 C ATOM 1387 O GLY A 95 59.652 114.067 66.348 1.00 25.89 O ATOM 0 H GLY A 95 59.899 115.900 64.812 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.475 116.591 67.067 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.804 116.812 67.545 1.00 28.05 H new ATOM 1391 N GLN A 96 60.959 114.297 68.115 1.00 0.00 N ATOM 1392 CA GLN A 96 60.901 112.846 68.463 1.00 0.00 C ATOM 1393 C GLN A 96 60.302 112.684 69.862 1.00 0.00 C ATOM 1394 O GLN A 96 60.724 113.339 70.797 1.00 0.00 O ATOM 1395 CB GLN A 96 62.361 112.377 68.470 1.00 0.00 C ATOM 1396 CG GLN A 96 63.006 112.651 67.109 1.00 0.00 C ATOM 1397 CD GLN A 96 64.358 111.939 67.031 1.00 0.00 C ATOM 1398 OE1 GLN A 96 65.033 111.780 68.029 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.784 111.499 65.879 1.00 0.00 N ATOM 0 H GLN A 96 61.528 114.862 68.745 1.00 0.00 H new ATOM 0 HA GLN A 96 60.290 112.275 67.764 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.914 112.894 69.254 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.408 111.312 68.696 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.353 112.303 66.309 1.00 0.00 H new ATOM 0 HG3 GLN A 96 63.139 113.724 66.967 1.00 0.00 H new ATOM 0 HE21 GLN A 96 64.218 111.632 65.041 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.683 111.022 65.816 1.00 0.00 H new ATOM 1408 N MET A 97 59.317 111.834 70.015 1.00 0.00 N ATOM 1409 CA MET A 97 58.690 111.656 71.361 1.00 0.00 C ATOM 1410 C MET A 97 58.708 110.185 71.788 1.00 0.00 C ATOM 1411 O MET A 97 58.076 109.344 71.178 1.00 0.00 O ATOM 1412 CB MET A 97 57.251 112.140 71.185 1.00 0.00 C ATOM 1413 CG MET A 97 57.247 113.643 70.905 1.00 0.00 C ATOM 1414 SD MET A 97 55.569 114.178 70.487 1.00 0.00 S ATOM 1415 CE MET A 97 54.873 114.080 72.153 1.00 0.00 C ATOM 0 H MET A 97 58.922 111.259 69.271 1.00 0.00 H new ATOM 0 HA MET A 97 59.226 112.207 72.134 1.00 0.00 H new ATOM 0 HB2 MET A 97 56.775 111.605 70.363 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.672 111.925 72.083 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.606 114.187 71.779 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.928 113.872 70.085 1.00 0.00 H new ATOM 0 HE1 MET A 97 53.793 113.949 72.089 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.311 113.233 72.681 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.096 114.999 72.695 1.00 0.00 H new ATOM 1425 N GLN A 98 59.411 109.875 72.848 1.00 0.00 N ATOM 1426 CA GLN A 98 59.468 108.472 73.355 1.00 0.00 C ATOM 1427 C GLN A 98 59.147 108.494 74.850 1.00 0.00 C ATOM 1428 O GLN A 98 59.425 109.473 75.519 1.00 0.00 O ATOM 1429 CB GLN A 98 60.915 108.029 73.130 1.00 0.00 C ATOM 1430 CG GLN A 98 61.053 106.542 73.464 1.00 0.00 C ATOM 1431 CD GLN A 98 62.499 106.099 73.240 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.423 106.762 73.666 1.00 0.00 O ATOM 1433 NE2 GLN A 98 62.737 104.996 72.582 1.00 0.00 N ATOM 0 H GLN A 98 59.955 110.545 73.391 1.00 0.00 H new ATOM 0 HA GLN A 98 58.765 107.802 72.860 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.204 108.208 72.094 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.587 108.617 73.755 1.00 0.00 H new ATOM 0 HG2 GLN A 98 60.763 106.363 74.499 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.381 105.954 72.839 1.00 0.00 H new ATOM 0 HE21 GLN A 98 61.962 104.438 72.224 1.00 0.00 H new ATOM 0 HE22 GLN A 98 63.698 104.692 72.426 1.00 0.00 H new ATOM 1442 N GLY A 99 58.560 107.450 75.387 1.00 29.62 N ATOM 1443 CA GLY A 99 58.233 107.475 76.849 1.00 28.62 C ATOM 1444 C GLY A 99 57.891 106.077 77.350 1.00 28.62 C ATOM 1445 O GLY A 99 57.928 105.116 76.612 1.00 29.22 O ATOM 0 H GLY A 99 58.298 106.599 74.889 1.00 29.62 H new ATOM 0 HA2 GLY A 99 59.080 107.870 77.409 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.393 108.146 77.027 1.00 28.62 H new ATOM 1449 N HIS A 100 57.555 105.964 78.611 1.00 0.00 N ATOM 1450 CA HIS A 100 57.196 104.632 79.178 1.00 0.00 C ATOM 1451 C HIS A 100 56.018 104.756 80.154 1.00 0.00 C ATOM 1452 O HIS A 100 55.747 105.813 80.689 1.00 0.00 O ATOM 1453 CB HIS A 100 58.456 104.130 79.895 1.00 0.00 C ATOM 1454 CG HIS A 100 58.881 105.108 80.956 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.002 105.909 80.811 1.00 0.00 N ATOM 1456 CD2 HIS A 100 58.356 105.415 82.186 1.00 0.00 C ATOM 1457 CE1 HIS A 100 60.117 106.651 81.927 1.00 0.00 C ATOM 1458 NE2 HIS A 100 59.139 106.389 82.798 1.00 0.00 N ATOM 0 H HIS A 100 57.514 106.740 79.272 1.00 0.00 H new ATOM 0 HA HIS A 100 56.879 103.937 78.401 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.262 103.157 80.345 1.00 0.00 H new ATOM 0 HB3 HIS A 100 59.262 103.993 79.174 1.00 0.00 H new ATOM 0 HD2 HIS A 100 57.470 104.969 82.614 1.00 0.00 H new ATOM 0 HE1 HIS A 100 60.904 107.371 82.098 1.00 0.00 H new ATOM 0 HE2 HIS A 100 58.997 106.812 83.715 1.00 0.00 H new ATOM 1466 N TYR A 101 55.319 103.673 80.380 1.00 25.77 N ATOM 1467 CA TYR A 101 54.150 103.697 81.313 1.00 25.79 C ATOM 1468 C TYR A 101 54.418 102.778 82.507 1.00 26.52 C ATOM 1469 O TYR A 101 54.739 101.620 82.329 1.00 27.05 O ATOM 1470 CB TYR A 101 52.968 103.156 80.500 1.00 24.67 C ATOM 1471 CG TYR A 101 52.350 104.240 79.638 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.120 105.525 80.154 1.00 20.31 C ATOM 1473 CD2 TYR A 101 51.995 103.947 78.315 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.538 106.509 79.346 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.416 104.934 77.509 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.186 106.214 78.025 1.00 23.58 C ATOM 1477 OH TYR A 101 50.611 107.185 77.232 1.00 25.91 O ATOM 0 H TYR A 101 55.509 102.765 79.955 1.00 25.77 H new ATOM 0 HA TYR A 101 53.958 104.698 81.699 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.304 102.334 79.868 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.214 102.751 81.175 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.392 105.754 81.174 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.168 102.958 77.916 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.361 107.497 79.743 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.147 104.707 76.488 1.00 24.17 H new ATOM 0 HH TYR A 101 49.802 107.526 77.667 1.00 25.91 H new ATOM 1487 N ASP A 102 54.257 103.255 83.717 1.00 0.00 N ATOM 1488 CA ASP A 102 54.471 102.368 84.899 1.00 0.00 C ATOM 1489 C ASP A 102 53.214 101.527 85.129 1.00 0.00 C ATOM 1490 O ASP A 102 52.123 102.041 85.288 1.00 0.00 O ATOM 1491 CB ASP A 102 54.744 103.301 86.080 1.00 0.00 C ATOM 1492 CG ASP A 102 55.189 102.479 87.293 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.729 101.357 87.427 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.983 102.988 88.067 1.00 0.00 O ATOM 0 H ASP A 102 53.988 104.214 83.935 1.00 0.00 H new ATOM 0 HA ASP A 102 55.302 101.677 84.761 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.516 104.023 85.815 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.846 103.869 86.323 1.00 0.00 H new ATOM 1499 N MET A 103 53.374 100.231 85.132 1.00 0.00 N ATOM 1500 CA MET A 103 52.216 99.312 85.332 1.00 0.00 C ATOM 1501 C MET A 103 52.457 98.409 86.542 1.00 0.00 C ATOM 1502 O MET A 103 53.573 98.260 87.003 1.00 0.00 O ATOM 1503 CB MET A 103 52.162 98.471 84.054 1.00 0.00 C ATOM 1504 CG MET A 103 51.938 99.381 82.845 1.00 0.00 C ATOM 1505 SD MET A 103 51.305 98.403 81.461 1.00 0.00 S ATOM 1506 CE MET A 103 49.610 98.220 82.069 1.00 0.00 C ATOM 0 H MET A 103 54.271 99.763 85.002 1.00 0.00 H new ATOM 0 HA MET A 103 51.288 99.853 85.515 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.091 97.914 83.934 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.358 97.738 84.123 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.232 100.172 83.098 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.873 99.866 82.564 1.00 0.00 H new ATOM 0 HE1 MET A 103 49.492 97.238 82.526 1.00 0.00 H new ATOM 0 HE2 MET A 103 49.404 98.993 82.810 1.00 0.00 H new ATOM 0 HE3 MET A 103 48.912 98.319 81.237 1.00 0.00 H new ATOM 1516 N VAL A 104 51.415 97.808 87.059 1.00 21.01 N ATOM 1517 CA VAL A 104 51.576 96.909 88.244 1.00 21.69 C ATOM 1518 C VAL A 104 50.633 95.707 88.132 1.00 22.60 C ATOM 1519 O VAL A 104 49.446 95.860 87.910 1.00 22.32 O ATOM 1520 CB VAL A 104 51.201 97.755 89.472 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.309 98.773 89.749 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.872 98.489 89.241 1.00 23.28 C ATOM 0 H VAL A 104 50.460 97.900 86.713 1.00 21.01 H new ATOM 0 HA VAL A 104 52.593 96.524 88.314 1.00 21.69 H new ATOM 0 HB VAL A 104 51.086 97.092 90.330 1.00 22.67 H new ATOM 0 HG11 VAL A 104 52.043 99.373 90.620 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.245 98.249 89.942 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.430 99.424 88.883 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.626 99.081 90.122 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.965 99.146 88.376 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.081 97.761 89.060 1.00 23.28 H new ATOM 1532 N ALA A 105 51.149 94.517 88.302 1.00 0.00 N ATOM 1533 CA ALA A 105 50.281 93.302 88.225 1.00 0.00 C ATOM 1534 C ALA A 105 49.408 93.220 89.477 1.00 0.00 C ATOM 1535 O ALA A 105 49.629 93.931 90.440 1.00 0.00 O ATOM 1536 CB ALA A 105 51.250 92.118 88.168 1.00 0.00 C ATOM 0 H ALA A 105 52.134 94.333 88.491 1.00 0.00 H new ATOM 0 HA ALA A 105 49.616 93.317 87.362 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.685 91.188 88.110 1.00 0.00 H new ATOM 0 HB2 ALA A 105 51.887 92.211 87.288 1.00 0.00 H new ATOM 0 HB3 ALA A 105 51.869 92.111 89.065 1.00 0.00 H new ATOM 1542 N ASP A 106 48.415 92.364 89.471 1.00 0.00 N ATOM 1543 CA ASP A 106 47.528 92.249 90.670 1.00 0.00 C ATOM 1544 C ASP A 106 48.330 91.740 91.873 1.00 0.00 C ATOM 1545 O ASP A 106 48.008 92.031 93.010 1.00 0.00 O ATOM 1546 CB ASP A 106 46.428 91.250 90.274 1.00 0.00 C ATOM 1547 CG ASP A 106 47.031 89.869 89.972 1.00 0.00 C ATOM 1548 OD1 ASP A 106 48.201 89.809 89.637 1.00 0.00 O ATOM 1549 OD2 ASP A 106 46.305 88.896 90.082 1.00 0.00 O ATOM 0 H ASP A 106 48.182 91.745 88.695 1.00 0.00 H new ATOM 0 HA ASP A 106 47.103 93.209 90.961 1.00 0.00 H new ATOM 0 HB2 ASP A 106 45.699 91.166 91.080 1.00 0.00 H new ATOM 0 HB3 ASP A 106 45.894 91.618 89.398 1.00 0.00 H new ATOM 1554 N ASP A 107 49.365 90.978 91.628 1.00 0.00 N ATOM 1555 CA ASP A 107 50.191 90.441 92.754 1.00 0.00 C ATOM 1556 C ASP A 107 51.047 91.547 93.385 1.00 0.00 C ATOM 1557 O ASP A 107 51.617 91.362 94.446 1.00 0.00 O ATOM 1558 CB ASP A 107 51.085 89.372 92.121 1.00 0.00 C ATOM 1559 CG ASP A 107 50.235 88.165 91.715 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.266 87.888 92.403 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.569 87.537 90.724 1.00 0.00 O ATOM 0 H ASP A 107 49.675 90.703 90.696 1.00 0.00 H new ATOM 0 HA ASP A 107 49.567 90.038 93.552 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.595 89.780 91.248 1.00 0.00 H new ATOM 0 HB3 ASP A 107 51.857 89.065 92.827 1.00 0.00 H new ATOM 1566 N GLY A 108 51.148 92.690 92.750 1.00 30.43 N ATOM 1567 CA GLY A 108 51.972 93.795 93.323 1.00 29.11 C ATOM 1568 C GLY A 108 53.303 93.919 92.569 1.00 29.35 C ATOM 1569 O GLY A 108 54.063 94.841 92.802 1.00 30.17 O ATOM 0 H GLY A 108 50.695 92.903 91.861 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.424 94.735 93.262 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.162 93.605 94.379 1.00 29.11 H new ATOM 1573 N THR A 109 53.601 93.003 91.669 1.00 0.00 N ATOM 1574 CA THR A 109 54.894 93.087 90.912 1.00 0.00 C ATOM 1575 C THR A 109 54.983 94.427 90.170 1.00 0.00 C ATOM 1576 O THR A 109 54.025 94.864 89.558 1.00 0.00 O ATOM 1577 CB THR A 109 54.852 91.926 89.915 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.681 90.704 90.620 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.159 91.881 89.122 1.00 0.00 C ATOM 0 H THR A 109 53.008 92.208 91.429 1.00 0.00 H new ATOM 0 HA THR A 109 55.761 93.025 91.570 1.00 0.00 H new ATOM 0 HB THR A 109 54.019 92.069 89.227 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.652 89.960 89.983 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.126 91.054 88.413 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.288 92.818 88.580 1.00 0.00 H new ATOM 0 HG23 THR A 109 56.995 91.739 89.807 1.00 0.00 H new ATOM 1587 N GLU A 110 56.115 95.085 90.229 1.00 0.00 N ATOM 1588 CA GLU A 110 56.246 96.402 89.532 1.00 0.00 C ATOM 1589 C GLU A 110 57.002 96.244 88.207 1.00 0.00 C ATOM 1590 O GLU A 110 57.971 95.515 88.114 1.00 0.00 O ATOM 1591 CB GLU A 110 57.029 97.289 90.500 1.00 0.00 C ATOM 1592 CG GLU A 110 57.160 98.699 89.913 1.00 0.00 C ATOM 1593 CD GLU A 110 57.944 99.601 90.875 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.017 99.273 92.050 1.00 0.00 O ATOM 1595 OE2 GLU A 110 58.453 100.612 90.420 1.00 0.00 O ATOM 0 H GLU A 110 56.948 94.770 90.726 1.00 0.00 H new ATOM 0 HA GLU A 110 55.275 96.829 89.283 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.521 97.331 91.463 1.00 0.00 H new ATOM 0 HB3 GLU A 110 58.017 96.865 90.679 1.00 0.00 H new ATOM 0 HG2 GLU A 110 57.668 98.654 88.949 1.00 0.00 H new ATOM 0 HG3 GLU A 110 56.171 99.120 89.733 1.00 0.00 H new ATOM 1602 N PHE A 111 56.561 96.937 87.189 1.00 27.41 N ATOM 1603 CA PHE A 111 57.238 96.859 85.860 1.00 27.50 C ATOM 1604 C PHE A 111 56.733 97.987 84.951 1.00 28.03 C ATOM 1605 O PHE A 111 55.594 98.407 85.038 1.00 27.72 O ATOM 1606 CB PHE A 111 56.896 95.467 85.300 1.00 26.12 C ATOM 1607 CG PHE A 111 55.425 95.373 84.953 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.498 94.975 85.923 1.00 23.96 C ATOM 1609 CD2 PHE A 111 54.992 95.678 83.656 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.140 94.883 85.597 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.634 95.584 83.331 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.709 95.188 84.302 1.00 23.73 C ATOM 0 H PHE A 111 55.753 97.559 87.222 1.00 27.41 H new ATOM 0 HA PHE A 111 58.318 96.985 85.932 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.497 95.270 84.412 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.151 94.702 86.034 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.831 94.739 86.923 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.706 95.986 82.907 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.425 94.576 86.346 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.301 95.817 82.331 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.661 95.118 84.052 1.00 23.73 H new ATOM 1622 N ILE A 112 57.584 98.487 84.093 1.00 0.00 N ATOM 1623 CA ILE A 112 57.180 99.602 83.182 1.00 0.00 C ATOM 1624 C ILE A 112 56.900 99.084 81.767 1.00 0.00 C ATOM 1625 O ILE A 112 57.384 98.043 81.366 1.00 0.00 O ATOM 1626 CB ILE A 112 58.367 100.575 83.178 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.631 99.865 82.677 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.607 101.092 84.597 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.670 100.907 82.260 1.00 0.00 C ATOM 0 H ILE A 112 58.547 98.170 83.983 1.00 0.00 H new ATOM 0 HA ILE A 112 56.261 100.082 83.520 1.00 0.00 H new ATOM 0 HB ILE A 112 58.139 101.409 82.514 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.036 99.225 83.461 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.388 99.220 81.833 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.450 101.783 84.595 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.715 101.609 84.952 1.00 0.00 H new ATOM 0 HG23 ILE A 112 58.827 100.253 85.257 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.568 100.403 81.904 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.262 101.528 81.463 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.921 101.534 83.116 1.00 0.00 H new ATOM 1641 N ALA A 113 56.138 99.827 81.007 1.00 0.00 N ATOM 1642 CA ALA A 113 55.828 99.422 79.606 1.00 0.00 C ATOM 1643 C ALA A 113 56.346 100.510 78.654 1.00 0.00 C ATOM 1644 O ALA A 113 55.698 101.520 78.459 1.00 0.00 O ATOM 1645 CB ALA A 113 54.303 99.320 79.540 1.00 0.00 C ATOM 0 H ALA A 113 55.713 100.706 81.302 1.00 0.00 H new ATOM 0 HA ALA A 113 56.294 98.479 79.320 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.001 99.025 78.535 1.00 0.00 H new ATOM 0 HB2 ALA A 113 53.957 98.575 80.256 1.00 0.00 H new ATOM 0 HB3 ALA A 113 53.863 100.287 79.782 1.00 0.00 H new ATOM 1651 N PRO A 114 57.520 100.276 78.111 1.00 31.26 N ATOM 1652 CA PRO A 114 58.111 101.296 77.198 1.00 32.26 C ATOM 1653 C PRO A 114 57.217 101.585 75.987 1.00 31.77 C ATOM 1654 O PRO A 114 56.588 100.711 75.422 1.00 33.24 O ATOM 1655 CB PRO A 114 59.433 100.680 76.750 1.00 32.64 C ATOM 1656 CG PRO A 114 59.238 99.213 76.901 1.00 33.31 C ATOM 1657 CD PRO A 114 58.301 99.023 78.059 1.00 32.61 C ATOM 0 HA PRO A 114 58.232 102.255 77.701 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.663 100.944 75.718 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.262 101.034 77.362 1.00 32.64 H new ATOM 0 HG2 PRO A 114 58.822 98.782 75.991 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.189 98.712 77.085 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.655 98.158 77.909 1.00 32.61 H new ATOM 0 HD3 PRO A 114 58.846 98.856 78.988 1.00 32.61 H new ATOM 1665 N ILE A 115 57.197 102.830 75.590 1.00 30.59 N ATOM 1666 CA ILE A 115 56.394 103.261 74.410 1.00 30.04 C ATOM 1667 C ILE A 115 57.348 103.586 73.262 1.00 30.45 C ATOM 1668 O ILE A 115 58.237 104.414 73.397 1.00 30.15 O ATOM 1669 CB ILE A 115 55.640 104.521 74.850 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.789 104.212 76.088 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.727 104.989 73.714 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.239 105.516 76.668 1.00 28.50 C ATOM 0 H ILE A 115 57.715 103.582 76.045 1.00 30.59 H new ATOM 0 HA ILE A 115 55.701 102.491 74.072 1.00 30.04 H new ATOM 0 HB ILE A 115 56.359 105.304 75.092 1.00 29.44 H new ATOM 0 HG12 ILE A 115 53.969 103.546 75.821 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.390 103.694 76.835 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.190 105.885 74.025 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.328 105.214 72.833 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.012 104.202 73.474 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.634 105.296 77.548 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.067 106.167 76.950 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.623 106.016 75.920 1.00 28.50 H new ATOM 1684 N ALA A 116 57.171 102.935 72.137 1.00 30.78 N ATOM 1685 CA ALA A 116 58.066 103.170 70.958 1.00 29.78 C ATOM 1686 C ALA A 116 58.206 104.662 70.647 1.00 29.57 C ATOM 1687 O ALA A 116 57.271 105.428 70.795 1.00 28.51 O ATOM 1688 CB ALA A 116 57.381 102.454 69.791 1.00 27.76 C ATOM 0 H ALA A 116 56.437 102.244 71.983 1.00 30.78 H new ATOM 0 HA ALA A 116 59.074 102.800 71.147 1.00 29.78 H new ATOM 0 HB1 ALA A 116 57.977 102.580 68.887 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.288 101.392 70.020 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.390 102.880 69.634 1.00 27.76 H new ATOM 1694 N ALA A 117 59.369 105.075 70.219 1.00 0.00 N ATOM 1695 CA ALA A 117 59.589 106.512 69.893 1.00 0.00 C ATOM 1696 C ALA A 117 59.194 106.792 68.442 1.00 0.00 C ATOM 1697 O ALA A 117 59.741 106.218 67.519 1.00 0.00 O ATOM 1698 CB ALA A 117 61.089 106.735 70.086 1.00 0.00 C ATOM 0 H ALA A 117 60.181 104.473 70.081 1.00 0.00 H new ATOM 0 HA ALA A 117 58.991 107.173 70.520 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.334 107.774 69.865 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.361 106.510 71.117 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.644 106.080 69.414 1.00 0.00 H new ATOM 1704 N PHE A 118 58.263 107.685 68.238 1.00 29.64 N ATOM 1705 CA PHE A 118 57.840 108.032 66.848 1.00 29.08 C ATOM 1706 C PHE A 118 58.331 109.441 66.519 1.00 30.66 C ATOM 1707 O PHE A 118 58.733 110.180 67.400 1.00 30.55 O ATOM 1708 CB PHE A 118 56.305 107.955 66.837 1.00 25.73 C ATOM 1709 CG PHE A 118 55.718 108.848 67.907 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.494 110.203 67.643 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.389 108.315 69.161 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.944 111.028 68.633 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.840 109.139 70.149 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.617 110.495 69.885 1.00 21.66 C ATOM 0 H PHE A 118 57.775 108.192 68.976 1.00 29.64 H new ATOM 0 HA PHE A 118 58.256 107.357 66.101 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.928 108.254 65.859 1.00 25.73 H new ATOM 0 HB3 PHE A 118 55.986 106.925 67.000 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.745 110.613 66.676 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.559 107.268 69.364 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.772 112.075 68.430 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.588 108.729 71.116 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.192 111.131 70.648 1.00 21.66 H new ATOM 1724 N VAL A 119 58.311 109.824 65.266 1.00 0.00 N ATOM 1725 CA VAL A 119 58.788 111.191 64.897 1.00 0.00 C ATOM 1726 C VAL A 119 57.630 112.028 64.348 1.00 0.00 C ATOM 1727 O VAL A 119 56.670 111.503 63.816 1.00 0.00 O ATOM 1728 CB VAL A 119 59.855 110.965 63.820 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.428 112.312 63.369 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.986 110.104 64.389 1.00 0.00 C ATOM 0 H VAL A 119 57.986 109.252 64.487 1.00 0.00 H new ATOM 0 HA VAL A 119 59.188 111.733 65.754 1.00 0.00 H new ATOM 0 HB VAL A 119 59.400 110.458 62.969 1.00 0.00 H new ATOM 0 HG11 VAL A 119 61.186 112.147 62.603 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.628 112.929 62.960 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.878 112.820 64.222 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.743 109.945 63.621 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.435 110.611 65.243 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.585 109.142 64.709 1.00 0.00 H new ATOM 1740 N LEU A 120 57.725 113.324 64.470 1.00 36.62 N ATOM 1741 CA LEU A 120 56.646 114.214 63.953 1.00 37.66 C ATOM 1742 C LEU A 120 57.181 115.038 62.783 1.00 38.64 C ATOM 1743 O LEU A 120 58.257 115.600 62.853 1.00 37.83 O ATOM 1744 CB LEU A 120 56.255 115.131 65.121 1.00 38.14 C ATOM 1745 CG LEU A 120 55.513 114.335 66.204 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.494 113.440 66.966 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.841 115.305 67.181 1.00 37.30 C ATOM 0 H LEU A 120 58.509 113.808 64.908 1.00 36.62 H new ATOM 0 HA LEU A 120 55.786 113.648 63.595 1.00 37.66 H new ATOM 0 HB2 LEU A 120 57.148 115.590 65.546 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.622 115.941 64.759 1.00 38.14 H new ATOM 0 HG LEU A 120 54.757 113.709 65.730 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.957 112.880 67.732 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.966 112.744 66.272 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.259 114.057 67.438 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.314 114.740 67.950 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.599 115.934 67.648 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.131 115.932 66.641 1.00 37.30 H new ATOM 1759 N SER A 121 56.438 115.107 61.707 1.00 0.00 N ATOM 1760 CA SER A 121 56.893 115.890 60.519 1.00 0.00 C ATOM 1761 C SER A 121 55.686 116.356 59.704 1.00 0.00 C ATOM 1762 O SER A 121 55.824 117.032 58.703 1.00 0.00 O ATOM 1763 CB SER A 121 57.747 114.917 59.708 1.00 0.00 C ATOM 1764 OG SER A 121 58.545 115.649 58.787 1.00 0.00 O ATOM 0 H SER A 121 55.531 114.652 61.601 1.00 0.00 H new ATOM 0 HA SER A 121 57.451 116.783 60.799 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.382 114.332 60.373 1.00 0.00 H new ATOM 0 HB3 SER A 121 57.109 114.212 59.175 1.00 0.00 H new ATOM 0 HG SER A 121 58.043 116.427 58.466 1.00 0.00 H new