USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot 80:sc= 0.697 USER MOD Set 1.2: A 86 SER OG : rot -121:sc= 1.57 USER MOD Set 2.1: A 55 THR OG1 : rot -39:sc= 0.174 USER MOD Set 2.2: A 61 THR OG1 : rot 22:sc= 1.33 USER MOD Set 3.1: A 7 TYR OH : rot 165:sc= 0.755 USER MOD Set 3.2: A 109 THR OG1 : rot 162:sc= 0.872 USER MOD Single : A 14 SER OG : rot 39:sc= 1.44 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 21 GLN : amide:sc= -0.0474 K(o=-0.047,f=-1.9!) USER MOD Single : A 22 SER OG : rot -123:sc= 1.18 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -92:sc= 0.281 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.06 F(o=-1.8,f=-1.1) USER MOD Single : A 51 HIS : no HE2:sc= -0.147 X(o=-0.15,f=-0.63) USER MOD Single : A 53 GLN : amide:sc= -0.0292 K(o=-0.029,f=-1.7!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.265 K(o=-0.27,f=-1.2) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.93 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 97 MET CE :methyl -148:sc= -2.09! (180deg=-3.28!) USER MOD Single : A 98 GLN : amide:sc= -0.175 K(o=-0.17,f=-1.5) USER MOD Single : A 100 HIS : no HE2:sc= -15.2! C(o=-15!,f=-17!) USER MOD Single : A 101 TYR OH : rot 83:sc= 1.6 USER MOD Single : A 103 MET CE :methyl 143:sc= -4.05! (180deg=-7.45!) USER MOD Single : A 121 SER OG : rot -13:sc= 0.636 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.541 86.760 82.946 1.00 0.00 N ATOM 2 CA ARG A 6 54.072 86.977 82.807 1.00 0.00 C ATOM 3 C ARG A 6 53.745 88.477 82.762 1.00 0.00 C ATOM 4 O ARG A 6 52.609 88.872 82.963 1.00 0.00 O ATOM 5 CB ARG A 6 53.465 86.339 84.057 1.00 0.00 C ATOM 6 CG ARG A 6 53.641 84.821 83.993 1.00 0.00 C ATOM 7 CD ARG A 6 53.033 84.183 85.244 1.00 0.00 C ATOM 8 NE ARG A 6 53.472 82.761 85.203 1.00 0.00 N ATOM 9 CZ ARG A 6 54.057 82.229 86.241 1.00 0.00 C ATOM 10 NH1 ARG A 6 53.346 81.855 87.270 1.00 0.00 N ATOM 11 NH2 ARG A 6 55.352 82.070 86.250 1.00 0.00 N ATOM 0 HA ARG A 6 53.680 86.545 81.886 1.00 0.00 H new ATOM 0 HB2 ARG A 6 53.948 86.734 84.951 1.00 0.00 H new ATOM 0 HB3 ARG A 6 52.407 86.590 84.129 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.158 84.426 83.099 1.00 0.00 H new ATOM 0 HG3 ARG A 6 54.699 84.570 83.921 1.00 0.00 H new ATOM 0 HD2 ARG A 6 53.383 84.678 86.150 1.00 0.00 H new ATOM 0 HD3 ARG A 6 51.946 84.261 85.238 1.00 0.00 H new ATOM 0 HE ARG A 6 53.316 82.203 84.364 1.00 0.00 H new ATOM 0 HH11 ARG A 6 52.334 81.979 87.262 1.00 0.00 H new ATOM 0 HH12 ARG A 6 53.803 81.439 88.082 1.00 0.00 H new ATOM 0 HH21 ARG A 6 55.907 82.362 85.446 1.00 0.00 H new ATOM 0 HH22 ARG A 6 55.809 81.654 87.061 1.00 0.00 H new ATOM 25 N TYR A 7 54.726 89.313 82.504 1.00 31.93 N ATOM 26 CA TYR A 7 54.468 90.785 82.450 1.00 29.59 C ATOM 27 C TYR A 7 54.824 91.337 81.065 1.00 29.68 C ATOM 28 O TYR A 7 55.981 91.443 80.705 1.00 30.50 O ATOM 29 CB TYR A 7 55.377 91.394 83.523 1.00 27.35 C ATOM 30 CG TYR A 7 55.037 90.808 84.876 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.717 90.835 85.342 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.045 90.236 85.662 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.405 90.290 86.594 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.733 89.692 86.914 1.00 22.47 C ATOM 35 CZ TYR A 7 54.413 89.719 87.380 1.00 22.87 C ATOM 36 OH TYR A 7 54.106 89.182 88.613 1.00 25.71 O ATOM 0 H TYR A 7 55.692 89.037 82.329 1.00 31.93 H new ATOM 0 HA TYR A 7 53.419 91.023 82.626 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.422 91.196 83.283 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.255 92.477 83.544 1.00 27.35 H new ATOM 0 HD1 TYR A 7 52.939 91.276 84.736 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.063 90.214 85.302 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.387 90.310 86.953 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.511 89.252 87.520 1.00 22.47 H new ATOM 0 HH TYR A 7 54.849 88.622 88.920 1.00 25.71 H new ATOM 46 N ARG A 8 53.830 91.688 80.292 1.00 0.00 N ATOM 47 CA ARG A 8 54.081 92.237 78.924 1.00 0.00 C ATOM 48 C ARG A 8 52.978 93.229 78.548 1.00 0.00 C ATOM 49 O ARG A 8 51.803 92.964 78.715 1.00 0.00 O ATOM 50 CB ARG A 8 54.055 91.027 77.988 1.00 0.00 C ATOM 51 CG ARG A 8 55.357 90.236 78.131 1.00 0.00 C ATOM 52 CD ARG A 8 55.332 89.036 77.182 1.00 0.00 C ATOM 53 NE ARG A 8 56.632 88.344 77.402 1.00 0.00 N ATOM 54 CZ ARG A 8 56.743 87.446 78.343 1.00 0.00 C ATOM 55 NH1 ARG A 8 56.304 86.235 78.142 1.00 0.00 N ATOM 56 NH2 ARG A 8 57.294 87.762 79.483 1.00 0.00 N ATOM 0 H ARG A 8 52.846 91.618 80.551 1.00 0.00 H new ATOM 0 HA ARG A 8 55.029 92.771 78.864 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.203 90.390 78.225 1.00 0.00 H new ATOM 0 HB3 ARG A 8 53.929 91.356 76.956 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.210 90.875 77.904 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.478 89.897 79.160 1.00 0.00 H new ATOM 0 HD2 ARG A 8 54.492 88.377 77.401 1.00 0.00 H new ATOM 0 HD3 ARG A 8 55.225 89.355 76.145 1.00 0.00 H new ATOM 0 HE ARG A 8 57.436 88.572 76.817 1.00 0.00 H new ATOM 0 HH11 ARG A 8 55.874 85.990 77.250 1.00 0.00 H new ATOM 0 HH12 ARG A 8 56.390 85.533 78.877 1.00 0.00 H new ATOM 0 HH21 ARG A 8 57.637 88.710 79.638 1.00 0.00 H new ATOM 0 HH22 ARG A 8 57.381 87.061 80.219 1.00 0.00 H new ATOM 70 N VAL A 9 53.359 94.373 78.041 1.00 0.00 N ATOM 71 CA VAL A 9 52.361 95.409 77.641 1.00 0.00 C ATOM 72 C VAL A 9 52.926 96.243 76.487 1.00 0.00 C ATOM 73 O VAL A 9 53.874 96.988 76.649 1.00 0.00 O ATOM 74 CB VAL A 9 52.154 96.280 78.888 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.148 97.392 78.580 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.615 95.421 80.035 1.00 0.00 C ATOM 0 H VAL A 9 54.332 94.636 77.885 1.00 0.00 H new ATOM 0 HA VAL A 9 51.421 94.974 77.301 1.00 0.00 H new ATOM 0 HB VAL A 9 53.109 96.719 79.177 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.004 98.008 79.468 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.527 98.011 77.767 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.196 96.950 78.286 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.470 96.043 80.918 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.663 94.979 79.742 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.328 94.629 80.263 1.00 0.00 H new ATOM 86 N GLU A 10 52.329 96.136 75.330 1.00 0.00 N ATOM 87 CA GLU A 10 52.781 96.922 74.144 1.00 0.00 C ATOM 88 C GLU A 10 51.772 98.031 73.842 1.00 0.00 C ATOM 89 O GLU A 10 50.583 97.797 73.742 1.00 0.00 O ATOM 90 CB GLU A 10 52.822 95.911 72.997 1.00 0.00 C ATOM 91 CG GLU A 10 53.340 96.597 71.729 1.00 0.00 C ATOM 92 CD GLU A 10 53.386 95.593 70.568 1.00 0.00 C ATOM 93 OE1 GLU A 10 53.402 94.400 70.831 1.00 0.00 O ATOM 94 OE2 GLU A 10 53.412 96.038 69.432 1.00 0.00 O ATOM 0 H GLU A 10 51.532 95.525 75.153 1.00 0.00 H new ATOM 0 HA GLU A 10 53.748 97.400 74.302 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.468 95.073 73.260 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.826 95.503 72.822 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.694 97.435 71.470 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.335 97.005 71.907 1.00 0.00 H new ATOM 101 N VAL A 11 52.252 99.238 73.701 1.00 26.88 N ATOM 102 CA VAL A 11 51.347 100.389 73.406 1.00 26.83 C ATOM 103 C VAL A 11 51.721 101.017 72.059 1.00 27.58 C ATOM 104 O VAL A 11 52.886 101.159 71.736 1.00 28.21 O ATOM 105 CB VAL A 11 51.570 101.384 74.549 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.668 102.605 74.352 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.231 100.716 75.886 1.00 25.75 C ATOM 0 H VAL A 11 53.240 99.478 73.778 1.00 26.88 H new ATOM 0 HA VAL A 11 50.302 100.086 73.338 1.00 26.83 H new ATOM 0 HB VAL A 11 52.614 101.698 74.552 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.829 103.311 75.167 1.00 26.50 H new ATOM 0 HG12 VAL A 11 50.907 103.085 73.403 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.625 102.289 74.346 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.390 101.426 76.698 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.188 100.399 75.880 1.00 25.75 H new ATOM 0 HG23 VAL A 11 51.873 99.847 76.032 1.00 25.75 H new ATOM 117 N GLU A 12 50.745 101.393 71.273 1.00 0.00 N ATOM 118 CA GLU A 12 51.032 102.013 69.946 1.00 0.00 C ATOM 119 C GLU A 12 50.407 103.411 69.877 1.00 0.00 C ATOM 120 O GLU A 12 49.287 103.622 70.302 1.00 0.00 O ATOM 121 CB GLU A 12 50.374 101.081 68.926 1.00 0.00 C ATOM 122 CG GLU A 12 50.647 101.596 67.508 1.00 0.00 C ATOM 123 CD GLU A 12 49.992 100.670 66.475 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.707 99.532 66.814 1.00 0.00 O ATOM 125 OE2 GLU A 12 49.792 101.116 65.357 1.00 0.00 O ATOM 0 H GLU A 12 49.754 101.296 71.496 1.00 0.00 H new ATOM 0 HA GLU A 12 52.100 102.130 69.762 1.00 0.00 H new ATOM 0 HB2 GLU A 12 50.764 100.069 69.038 1.00 0.00 H new ATOM 0 HB3 GLU A 12 49.300 101.030 69.105 1.00 0.00 H new ATOM 0 HG2 GLU A 12 50.257 102.608 67.399 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.721 101.647 67.332 1.00 0.00 H new ATOM 132 N VAL A 13 51.132 104.362 69.349 1.00 26.55 N ATOM 133 CA VAL A 13 50.600 105.757 69.249 1.00 26.45 C ATOM 134 C VAL A 13 50.754 106.281 67.819 1.00 27.95 C ATOM 135 O VAL A 13 51.776 106.097 67.186 1.00 27.94 O ATOM 136 CB VAL A 13 51.447 106.580 70.225 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.971 108.034 70.221 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.309 106.007 71.638 1.00 26.97 C ATOM 0 H VAL A 13 52.074 104.234 68.980 1.00 26.55 H new ATOM 0 HA VAL A 13 49.539 105.813 69.491 1.00 26.45 H new ATOM 0 HB VAL A 13 52.491 106.537 69.915 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.575 108.617 70.916 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.072 108.447 69.218 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.925 108.075 70.526 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.913 106.595 72.330 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.264 106.045 71.946 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.652 104.972 71.646 1.00 26.97 H new ATOM 148 N SER A 14 49.735 106.933 67.310 1.00 0.00 N ATOM 149 CA SER A 14 49.804 107.474 65.920 1.00 0.00 C ATOM 150 C SER A 14 49.494 108.982 65.911 1.00 0.00 C ATOM 151 O SER A 14 48.351 109.376 66.043 1.00 0.00 O ATOM 152 CB SER A 14 48.740 106.703 65.141 1.00 0.00 C ATOM 153 OG SER A 14 47.465 106.946 65.721 1.00 0.00 O ATOM 0 H SER A 14 48.859 107.113 67.800 1.00 0.00 H new ATOM 0 HA SER A 14 50.796 107.356 65.484 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.742 107.013 64.096 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.962 105.636 65.157 1.00 0.00 H new ATOM 0 HG SER A 14 47.403 107.886 65.992 1.00 0.00 H new ATOM 159 N PRO A 15 50.530 109.775 65.752 1.00 28.75 N ATOM 160 CA PRO A 15 50.315 111.251 65.724 1.00 30.20 C ATOM 161 C PRO A 15 49.905 111.718 64.321 1.00 33.00 C ATOM 162 O PRO A 15 50.050 111.009 63.345 1.00 32.76 O ATOM 163 CB PRO A 15 51.671 111.835 66.106 1.00 29.34 C ATOM 164 CG PRO A 15 52.661 110.789 65.727 1.00 29.59 C ATOM 165 CD PRO A 15 51.968 109.459 65.858 1.00 28.91 C ATOM 0 HA PRO A 15 49.517 111.566 66.396 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.862 112.769 65.577 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.719 112.056 67.172 1.00 29.34 H new ATOM 0 HG2 PRO A 15 53.012 110.942 64.707 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.536 110.833 66.375 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.281 108.770 65.073 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.200 108.984 66.811 1.00 28.91 H new ATOM 173 N ARG A 16 49.386 112.918 64.232 1.00 34.77 N ATOM 174 CA ARG A 16 48.943 113.473 62.915 1.00 37.64 C ATOM 175 C ARG A 16 48.917 115.006 62.978 1.00 38.99 C ATOM 176 O ARG A 16 48.413 115.596 63.916 1.00 38.96 O ATOM 177 CB ARG A 16 47.538 112.909 62.675 1.00 40.22 C ATOM 178 CG ARG A 16 46.610 113.291 63.830 1.00 43.41 C ATOM 179 CD ARG A 16 45.214 112.719 63.574 1.00 47.90 C ATOM 180 NE ARG A 16 44.427 113.063 64.790 1.00 51.85 N ATOM 181 CZ ARG A 16 43.949 112.113 65.548 1.00 53.88 C ATOM 182 NH1 ARG A 16 43.091 111.260 65.060 1.00 54.10 N ATOM 183 NH2 ARG A 16 44.329 112.018 66.792 1.00 53.27 N ATOM 0 H ARG A 16 49.249 113.544 65.026 1.00 34.77 H new ATOM 0 HA ARG A 16 49.618 113.197 62.105 1.00 37.64 H new ATOM 0 HB2 ARG A 16 47.139 113.294 61.736 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.585 111.824 62.580 1.00 40.22 H new ATOM 0 HG2 ARG A 16 47.005 112.907 64.770 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.558 114.376 63.925 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.768 113.153 62.679 1.00 47.90 H new ATOM 0 HD3 ARG A 16 45.252 111.641 63.420 1.00 47.90 H new ATOM 0 HE ARG A 16 44.261 114.040 65.031 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.794 111.335 64.087 1.00 54.10 H new ATOM 0 HH12 ARG A 16 42.717 110.518 65.651 1.00 54.10 H new ATOM 0 HH21 ARG A 16 44.999 112.686 67.173 1.00 53.27 H new ATOM 0 HH22 ARG A 16 43.956 111.276 67.384 1.00 53.27 H new ATOM 197 N PHE A 17 49.483 115.644 61.986 1.00 0.00 N ATOM 198 CA PHE A 17 49.532 117.142 61.963 1.00 0.00 C ATOM 199 C PHE A 17 48.123 117.746 61.993 1.00 0.00 C ATOM 200 O PHE A 17 47.217 117.272 61.333 1.00 0.00 O ATOM 201 CB PHE A 17 50.231 117.489 60.645 1.00 0.00 C ATOM 202 CG PHE A 17 50.453 118.980 60.563 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.439 119.583 61.354 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.683 119.759 59.691 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.653 120.964 61.275 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.897 121.141 59.613 1.00 0.00 C ATOM 207 CZ PHE A 17 50.882 121.743 60.404 1.00 0.00 C ATOM 0 H PHE A 17 49.918 115.190 61.183 1.00 0.00 H new ATOM 0 HA PHE A 17 50.054 117.541 62.833 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.185 116.966 60.579 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.626 117.155 59.802 1.00 0.00 H new ATOM 0 HD1 PHE A 17 52.035 118.982 62.025 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.924 119.294 59.079 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.413 121.429 61.886 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.302 121.742 58.942 1.00 0.00 H new ATOM 0 HZ PHE A 17 51.047 122.808 60.343 1.00 0.00 H new ATOM 217 N LEU A 18 47.939 118.796 62.755 1.00 0.00 N ATOM 218 CA LEU A 18 46.596 119.453 62.839 1.00 0.00 C ATOM 219 C LEU A 18 46.666 120.884 62.291 1.00 0.00 C ATOM 220 O LEU A 18 46.726 121.852 63.024 1.00 0.00 O ATOM 221 CB LEU A 18 46.233 119.449 64.324 1.00 0.00 C ATOM 222 CG LEU A 18 44.712 119.378 64.479 1.00 0.00 C ATOM 223 CD1 LEU A 18 44.205 118.034 63.953 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.345 119.515 65.958 1.00 0.00 C ATOM 0 H LEU A 18 48.665 119.229 63.326 1.00 0.00 H new ATOM 0 HA LEU A 18 45.846 118.930 62.245 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.700 118.598 64.821 1.00 0.00 H new ATOM 0 HB3 LEU A 18 46.616 120.349 64.805 1.00 0.00 H new ATOM 0 HG LEU A 18 44.252 120.187 63.911 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.122 117.985 64.064 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.467 117.933 62.900 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.665 117.225 64.520 1.00 0.00 H new ATOM 0 HD21 LEU A 18 43.262 119.465 66.070 1.00 0.00 H new ATOM 0 HD22 LEU A 18 44.806 118.706 66.524 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.705 120.472 66.335 1.00 0.00 H new ATOM 236 N ALA A 19 46.637 120.999 60.991 1.00 0.00 N ATOM 237 CA ALA A 19 46.674 122.338 60.316 1.00 0.00 C ATOM 238 C ALA A 19 45.365 123.108 60.520 1.00 0.00 C ATOM 239 O ALA A 19 45.369 124.321 60.626 1.00 0.00 O ATOM 240 CB ALA A 19 46.837 122.010 58.829 1.00 0.00 C ATOM 0 H ALA A 19 46.588 120.206 60.351 1.00 0.00 H new ATOM 0 HA ALA A 19 47.472 122.963 60.717 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.874 122.935 58.254 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.761 121.452 58.679 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.992 121.408 58.494 1.00 0.00 H new ATOM 246 N HIS A 20 44.247 122.427 60.546 1.00 0.00 N ATOM 247 CA HIS A 20 42.940 123.141 60.710 1.00 0.00 C ATOM 248 C HIS A 20 42.814 123.747 62.112 1.00 0.00 C ATOM 249 O HIS A 20 42.090 124.705 62.311 1.00 0.00 O ATOM 250 CB HIS A 20 41.863 122.082 60.475 1.00 0.00 C ATOM 251 CG HIS A 20 40.516 122.748 60.396 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.212 123.688 59.424 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.383 122.620 61.162 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.943 124.086 59.627 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.391 123.466 60.675 1.00 0.00 N ATOM 0 H HIS A 20 44.181 121.413 60.461 1.00 0.00 H new ATOM 0 HA HIS A 20 42.848 123.972 60.010 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.067 121.539 59.552 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.873 121.352 61.284 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.278 121.963 62.013 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.432 124.817 59.018 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.446 123.587 61.039 1.00 0.00 H new ATOM 263 N GLN A 21 43.502 123.203 63.082 1.00 51.13 N ATOM 264 CA GLN A 21 43.408 123.757 64.467 1.00 51.59 C ATOM 265 C GLN A 21 44.782 124.223 64.956 1.00 51.55 C ATOM 266 O GLN A 21 45.179 123.938 66.071 1.00 51.24 O ATOM 267 CB GLN A 21 42.895 122.599 65.325 1.00 52.27 C ATOM 268 CG GLN A 21 42.471 123.127 66.697 1.00 52.27 C ATOM 269 CD GLN A 21 41.731 122.029 67.465 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.206 121.104 66.874 1.00 52.37 O ATOM 271 NE2 GLN A 21 41.667 122.090 68.767 1.00 51.79 N ATOM 0 H GLN A 21 44.124 122.401 62.976 1.00 51.13 H new ATOM 0 HA GLN A 21 42.750 124.624 64.516 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.051 122.115 64.834 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.673 121.845 65.439 1.00 52.27 H new ATOM 0 HG2 GLN A 21 43.347 123.451 67.259 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.828 123.999 66.579 1.00 52.27 H new ATOM 0 HE21 GLN A 21 42.107 122.865 69.263 1.00 51.79 H new ATOM 0 HE22 GLN A 21 41.177 121.363 69.288 1.00 51.79 H new ATOM 280 N SER A 22 45.511 124.939 64.134 1.00 52.26 N ATOM 281 CA SER A 22 46.859 125.423 64.559 1.00 52.76 C ATOM 282 C SER A 22 47.376 126.510 63.610 1.00 51.68 C ATOM 283 O SER A 22 47.078 126.511 62.430 1.00 52.15 O ATOM 284 CB SER A 22 47.760 124.191 64.498 1.00 53.63 C ATOM 285 OG SER A 22 48.098 123.917 63.144 1.00 55.19 O ATOM 0 H SER A 22 45.231 125.208 63.191 1.00 52.26 H new ATOM 0 HA SER A 22 46.833 125.867 65.554 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.664 124.359 65.083 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.251 123.333 64.938 1.00 53.63 H new ATOM 0 HG SER A 22 47.825 123.004 62.917 1.00 55.19 H new ATOM 291 N THR A 23 48.171 127.417 64.117 1.00 0.00 N ATOM 292 CA THR A 23 48.744 128.495 63.254 1.00 0.00 C ATOM 293 C THR A 23 50.279 128.416 63.308 1.00 0.00 C ATOM 294 O THR A 23 50.901 128.958 64.198 1.00 0.00 O ATOM 295 CB THR A 23 48.211 129.827 63.817 1.00 0.00 C ATOM 296 OG1 THR A 23 48.716 130.897 63.030 1.00 0.00 O ATOM 297 CG2 THR A 23 48.642 130.031 65.274 1.00 0.00 C ATOM 0 H THR A 23 48.450 127.458 65.097 1.00 0.00 H new ATOM 0 HA THR A 23 48.456 128.397 62.207 1.00 0.00 H new ATOM 0 HB THR A 23 47.122 129.803 63.782 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.380 131.748 63.381 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.249 130.980 65.640 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.253 129.217 65.886 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.730 130.042 65.333 1.00 0.00 H new ATOM 305 N PRO A 24 50.838 127.699 62.357 1.00 49.88 N ATOM 306 CA PRO A 24 52.322 127.533 62.352 1.00 51.02 C ATOM 307 C PRO A 24 53.046 128.855 62.071 1.00 51.50 C ATOM 308 O PRO A 24 54.203 129.015 62.414 1.00 51.57 O ATOM 309 CB PRO A 24 52.578 126.542 61.221 1.00 51.23 C ATOM 310 CG PRO A 24 51.411 126.692 60.308 1.00 51.05 C ATOM 311 CD PRO A 24 50.237 127.064 61.167 1.00 49.44 C ATOM 0 HA PRO A 24 52.693 127.193 63.319 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.513 126.763 60.706 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.655 125.523 61.599 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.602 127.461 59.559 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.218 125.764 59.770 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.566 127.748 60.648 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.650 126.187 61.439 1.00 49.44 H new ATOM 319 N ASP A 25 52.389 129.793 61.437 1.00 0.00 N ATOM 320 CA ASP A 25 53.064 131.093 61.121 1.00 0.00 C ATOM 321 C ASP A 25 53.413 131.856 62.406 1.00 0.00 C ATOM 322 O ASP A 25 54.302 132.687 62.411 1.00 0.00 O ATOM 323 CB ASP A 25 52.072 131.881 60.265 1.00 0.00 C ATOM 324 CG ASP A 25 52.764 133.116 59.686 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.060 134.019 60.452 1.00 0.00 O ATOM 326 OD2 ASP A 25 52.988 133.138 58.488 1.00 0.00 O ATOM 0 H ASP A 25 51.421 129.718 61.125 1.00 0.00 H new ATOM 0 HA ASP A 25 54.005 130.936 60.594 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.692 131.253 59.459 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.214 132.181 60.867 1.00 0.00 H new ATOM 331 N GLU A 26 52.731 131.583 63.490 1.00 0.00 N ATOM 332 CA GLU A 26 53.037 132.303 64.767 1.00 0.00 C ATOM 333 C GLU A 26 53.772 131.378 65.747 1.00 0.00 C ATOM 334 O GLU A 26 53.739 131.583 66.945 1.00 0.00 O ATOM 335 CB GLU A 26 51.675 132.706 65.332 1.00 0.00 C ATOM 336 CG GLU A 26 51.063 133.804 64.456 1.00 0.00 C ATOM 337 CD GLU A 26 49.693 134.221 65.012 1.00 0.00 C ATOM 338 OE1 GLU A 26 49.113 133.451 65.762 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.249 135.305 64.675 1.00 0.00 O ATOM 0 H GLU A 26 51.979 130.896 63.548 1.00 0.00 H new ATOM 0 HA GLU A 26 53.685 133.164 64.604 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.013 131.841 65.365 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.785 133.062 66.356 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.728 134.667 64.423 1.00 0.00 H new ATOM 0 HG3 GLU A 26 50.955 133.445 63.432 1.00 0.00 H new ATOM 346 N GLY A 27 54.437 130.366 65.244 1.00 0.00 N ATOM 347 CA GLY A 27 55.177 129.426 66.139 1.00 0.00 C ATOM 348 C GLY A 27 54.182 128.605 66.964 1.00 0.00 C ATOM 349 O GLY A 27 54.474 128.187 68.068 1.00 0.00 O ATOM 0 H GLY A 27 54.498 130.151 64.249 1.00 0.00 H new ATOM 0 HA2 GLY A 27 55.806 128.763 65.545 1.00 0.00 H new ATOM 0 HA3 GLY A 27 55.839 129.984 66.801 1.00 0.00 H new ATOM 353 N ARG A 28 53.011 128.372 66.431 1.00 0.00 N ATOM 354 CA ARG A 28 51.986 127.577 67.171 1.00 0.00 C ATOM 355 C ARG A 28 51.575 126.352 66.350 1.00 0.00 C ATOM 356 O ARG A 28 50.685 126.422 65.522 1.00 0.00 O ATOM 357 CB ARG A 28 50.805 128.527 67.357 1.00 0.00 C ATOM 358 CG ARG A 28 51.152 129.570 68.422 1.00 0.00 C ATOM 359 CD ARG A 28 49.969 130.524 68.610 1.00 0.00 C ATOM 360 NE ARG A 28 50.407 131.491 69.659 1.00 0.00 N ATOM 361 CZ ARG A 28 49.627 132.479 70.000 1.00 0.00 C ATOM 362 NH1 ARG A 28 49.241 133.346 69.103 1.00 0.00 N ATOM 363 NH2 ARG A 28 49.233 132.601 71.238 1.00 0.00 N ATOM 0 H ARG A 28 52.719 128.700 65.510 1.00 0.00 H new ATOM 0 HA ARG A 28 52.359 127.205 68.125 1.00 0.00 H new ATOM 0 HB2 ARG A 28 50.569 129.020 66.414 1.00 0.00 H new ATOM 0 HB3 ARG A 28 49.918 127.968 67.656 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.388 129.077 69.365 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.039 130.129 68.123 1.00 0.00 H new ATOM 0 HD2 ARG A 28 49.725 131.037 67.679 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.074 129.985 68.921 1.00 0.00 H new ATOM 0 HE ARG A 28 51.316 131.379 70.109 1.00 0.00 H new ATOM 0 HH11 ARG A 28 49.550 133.251 68.135 1.00 0.00 H new ATOM 0 HH12 ARG A 28 48.631 134.119 69.370 1.00 0.00 H new ATOM 0 HH21 ARG A 28 49.535 131.924 71.938 1.00 0.00 H new ATOM 0 HH22 ARG A 28 48.623 133.374 71.505 1.00 0.00 H new ATOM 377 N TYR A 29 52.205 125.228 66.586 1.00 46.07 N ATOM 378 CA TYR A 29 51.847 123.987 65.833 1.00 43.41 C ATOM 379 C TYR A 29 51.044 123.058 66.750 1.00 41.37 C ATOM 380 O TYR A 29 51.403 122.850 67.893 1.00 39.95 O ATOM 381 CB TYR A 29 53.180 123.333 65.449 1.00 43.56 C ATOM 382 CG TYR A 29 54.046 124.311 64.684 1.00 42.53 C ATOM 383 CD1 TYR A 29 54.834 125.235 65.381 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.067 124.288 63.285 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.641 126.138 64.679 1.00 42.67 C ATOM 386 CE2 TYR A 29 54.874 125.192 62.584 1.00 42.98 C ATOM 387 CZ TYR A 29 55.661 126.116 63.280 1.00 43.35 C ATOM 388 OH TYR A 29 56.457 127.005 62.588 1.00 43.13 O ATOM 0 H TYR A 29 52.954 125.116 67.270 1.00 46.07 H new ATOM 0 HA TYR A 29 51.242 124.197 64.951 1.00 43.41 H new ATOM 0 HB2 TYR A 29 53.701 123.001 66.347 1.00 43.56 H new ATOM 0 HB3 TYR A 29 52.996 122.447 64.841 1.00 43.56 H new ATOM 0 HD1 TYR A 29 54.819 125.251 66.461 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.461 123.574 62.747 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.248 126.851 65.217 1.00 42.67 H new ATOM 0 HE2 TYR A 29 54.889 125.176 61.504 1.00 42.98 H new ATOM 0 HH TYR A 29 55.942 127.813 62.383 1.00 43.13 H new ATOM 398 N ALA A 30 49.957 122.513 66.264 1.00 0.00 N ATOM 399 CA ALA A 30 49.131 121.614 67.129 1.00 0.00 C ATOM 400 C ALA A 30 49.128 120.180 66.592 1.00 0.00 C ATOM 401 O ALA A 30 48.692 119.922 65.486 1.00 0.00 O ATOM 402 CB ALA A 30 47.723 122.206 67.094 1.00 0.00 C ATOM 0 H ALA A 30 49.608 122.649 65.315 1.00 0.00 H new ATOM 0 HA ALA A 30 49.527 121.559 68.143 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.058 121.599 67.708 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.747 123.224 67.483 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.359 122.218 66.067 1.00 0.00 H new ATOM 408 N PHE A 31 49.600 119.245 67.378 1.00 36.58 N ATOM 409 CA PHE A 31 49.616 117.820 66.936 1.00 36.29 C ATOM 410 C PHE A 31 48.678 116.993 67.819 1.00 35.25 C ATOM 411 O PHE A 31 48.703 117.110 69.030 1.00 34.09 O ATOM 412 CB PHE A 31 51.058 117.347 67.133 1.00 36.39 C ATOM 413 CG PHE A 31 51.968 118.019 66.135 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.490 119.288 66.408 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.298 117.368 64.941 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.341 119.907 65.486 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.148 117.988 64.017 1.00 37.25 C ATOM 418 CZ PHE A 31 53.670 119.257 64.291 1.00 36.45 C ATOM 0 H PHE A 31 49.977 119.410 68.311 1.00 36.58 H new ATOM 0 HA PHE A 31 49.287 117.711 65.903 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.388 117.574 68.147 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.113 116.265 67.015 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.236 119.790 67.330 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.897 116.387 64.732 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.744 120.887 65.696 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.400 117.487 63.094 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.327 119.735 63.580 1.00 36.45 H new ATOM 428 N ALA A 32 47.871 116.145 67.234 1.00 34.06 N ATOM 429 CA ALA A 32 46.954 115.292 68.047 1.00 32.35 C ATOM 430 C ALA A 32 47.404 113.838 67.920 1.00 31.25 C ATOM 431 O ALA A 32 47.657 113.364 66.827 1.00 31.96 O ATOM 432 CB ALA A 32 45.570 115.487 67.428 1.00 32.65 C ATOM 0 H ALA A 32 47.808 116.007 66.225 1.00 34.06 H new ATOM 0 HA ALA A 32 46.951 115.552 69.106 1.00 32.35 H new ATOM 0 HB1 ALA A 32 44.840 114.889 67.974 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.292 116.539 67.483 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.590 115.171 66.385 1.00 32.65 H new ATOM 438 N TYR A 33 47.532 113.127 69.014 1.00 29.03 N ATOM 439 CA TYR A 33 47.995 111.706 68.914 1.00 27.15 C ATOM 440 C TYR A 33 47.053 110.756 69.662 1.00 26.72 C ATOM 441 O TYR A 33 46.502 111.094 70.692 1.00 28.24 O ATOM 442 CB TYR A 33 49.418 111.695 69.503 1.00 26.09 C ATOM 443 CG TYR A 33 49.405 111.919 71.002 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.174 113.195 71.526 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.645 110.844 71.864 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.179 113.394 72.912 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.654 111.042 73.249 1.00 25.85 C ATOM 448 CZ TYR A 33 49.421 112.317 73.773 1.00 27.60 C ATOM 449 OH TYR A 33 49.436 112.512 75.139 1.00 28.81 O ATOM 0 H TYR A 33 47.340 113.462 69.958 1.00 29.03 H new ATOM 0 HA TYR A 33 47.995 111.352 67.883 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.896 110.741 69.282 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.016 112.470 69.024 1.00 26.09 H new ATOM 0 HD1 TYR A 33 48.992 114.027 70.862 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.824 109.859 71.460 1.00 25.37 H new ATOM 0 HE1 TYR A 33 48.996 114.378 73.317 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.841 110.211 73.913 1.00 25.85 H new ATOM 0 HH TYR A 33 48.516 112.535 75.476 1.00 28.81 H new ATOM 459 N SER A 34 46.870 109.569 69.140 1.00 0.00 N ATOM 460 CA SER A 34 45.967 108.582 69.802 1.00 0.00 C ATOM 461 C SER A 34 46.798 107.510 70.511 1.00 0.00 C ATOM 462 O SER A 34 47.811 107.064 70.009 1.00 0.00 O ATOM 463 CB SER A 34 45.149 107.966 68.669 1.00 0.00 C ATOM 464 OG SER A 34 44.361 108.979 68.055 1.00 0.00 O ATOM 0 H SER A 34 47.310 109.241 68.280 1.00 0.00 H new ATOM 0 HA SER A 34 45.328 109.044 70.555 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.811 107.508 67.934 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.507 107.175 69.057 1.00 0.00 H new ATOM 0 HG SER A 34 43.836 108.588 67.326 1.00 0.00 H new ATOM 470 N ILE A 35 46.381 107.112 71.684 1.00 0.00 N ATOM 471 CA ILE A 35 47.140 106.083 72.458 1.00 0.00 C ATOM 472 C ILE A 35 46.408 104.736 72.466 1.00 0.00 C ATOM 473 O ILE A 35 45.220 104.656 72.710 1.00 0.00 O ATOM 474 CB ILE A 35 47.196 106.665 73.881 1.00 0.00 C ATOM 475 CG1 ILE A 35 47.983 107.988 73.863 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.880 105.675 74.837 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.421 107.747 73.381 1.00 0.00 C ATOM 0 H ILE A 35 45.539 107.459 72.144 1.00 0.00 H new ATOM 0 HA ILE A 35 48.124 105.888 72.031 1.00 0.00 H new ATOM 0 HB ILE A 35 46.179 106.845 74.229 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.488 108.704 73.208 1.00 0.00 H new ATOM 0 HG13 ILE A 35 47.995 108.425 74.861 1.00 0.00 H new ATOM 0 HG21 ILE A 35 47.912 106.101 75.840 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.318 104.741 74.857 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.896 105.480 74.493 1.00 0.00 H new ATOM 0 HD11 ILE A 35 49.965 108.691 73.373 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.918 107.047 74.053 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.402 107.331 72.374 1.00 0.00 H new ATOM 489 N ARG A 36 47.134 103.681 72.199 1.00 25.30 N ATOM 490 CA ARG A 36 46.526 102.318 72.185 1.00 25.64 C ATOM 491 C ARG A 36 47.283 101.404 73.153 1.00 23.79 C ATOM 492 O ARG A 36 48.326 100.870 72.834 1.00 25.11 O ATOM 493 CB ARG A 36 46.683 101.824 70.746 1.00 28.66 C ATOM 494 CG ARG A 36 45.637 102.499 69.857 1.00 34.24 C ATOM 495 CD ARG A 36 46.218 103.788 69.272 1.00 37.45 C ATOM 496 NE ARG A 36 45.450 104.020 68.017 1.00 40.12 N ATOM 497 CZ ARG A 36 45.855 103.485 66.897 1.00 40.24 C ATOM 498 NH1 ARG A 36 46.732 104.106 66.156 1.00 39.07 N ATOM 499 NH2 ARG A 36 45.381 102.330 66.517 1.00 39.81 N ATOM 0 H ARG A 36 48.132 103.707 71.988 1.00 25.30 H new ATOM 0 HA ARG A 36 45.481 102.325 72.496 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.685 102.048 70.381 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.564 100.741 70.707 1.00 28.66 H new ATOM 0 HG2 ARG A 36 45.338 101.825 69.054 1.00 34.24 H new ATOM 0 HG3 ARG A 36 44.741 102.722 70.437 1.00 34.24 H new ATOM 0 HD2 ARG A 36 46.105 104.622 69.964 1.00 37.45 H new ATOM 0 HD3 ARG A 36 47.284 103.684 69.069 1.00 37.45 H new ATOM 0 HE ARG A 36 44.609 104.596 68.033 1.00 40.12 H new ATOM 0 HH11 ARG A 36 47.101 105.010 66.452 1.00 39.07 H new ATOM 0 HH12 ARG A 36 47.048 103.688 65.281 1.00 39.07 H new ATOM 0 HH21 ARG A 36 44.694 101.845 67.095 1.00 39.81 H new ATOM 0 HH22 ARG A 36 45.697 101.912 65.642 1.00 39.81 H new ATOM 513 N ILE A 37 46.756 101.231 74.335 1.00 20.73 N ATOM 514 CA ILE A 37 47.420 100.362 75.355 1.00 18.17 C ATOM 515 C ILE A 37 46.925 98.916 75.236 1.00 17.71 C ATOM 516 O ILE A 37 45.759 98.631 75.435 1.00 15.34 O ATOM 517 CB ILE A 37 47.006 100.956 76.709 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.452 102.420 76.791 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.678 100.170 77.837 1.00 14.36 C ATOM 520 CD1 ILE A 37 46.812 103.081 78.013 1.00 16.07 C ATOM 0 H ILE A 37 45.883 101.659 74.643 1.00 20.73 H new ATOM 0 HA ILE A 37 48.502 100.336 75.227 1.00 18.17 H new ATOM 0 HB ILE A 37 45.922 100.897 76.808 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.538 102.477 76.861 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.163 102.951 75.884 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.385 100.591 78.799 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.368 99.126 77.788 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.761 100.232 77.729 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.129 104.122 78.071 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.727 103.037 77.924 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.124 102.556 78.916 1.00 16.07 H new ATOM 532 N GLN A 38 47.810 98.000 74.933 1.00 0.00 N ATOM 533 CA GLN A 38 47.409 96.564 74.820 1.00 0.00 C ATOM 534 C GLN A 38 48.163 95.735 75.867 1.00 0.00 C ATOM 535 O GLN A 38 49.359 95.873 76.040 1.00 0.00 O ATOM 536 CB GLN A 38 47.791 96.142 73.400 1.00 0.00 C ATOM 537 CG GLN A 38 47.401 94.679 73.174 1.00 0.00 C ATOM 538 CD GLN A 38 47.786 94.263 71.754 1.00 0.00 C ATOM 539 OE1 GLN A 38 48.900 94.487 71.323 1.00 0.00 O ATOM 540 NE2 GLN A 38 46.905 93.661 71.002 1.00 0.00 N ATOM 0 H GLN A 38 48.798 98.186 74.758 1.00 0.00 H new ATOM 0 HA GLN A 38 46.345 96.412 74.999 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.287 96.779 72.673 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.863 96.270 73.248 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.904 94.041 73.900 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.329 94.550 73.324 1.00 0.00 H new ATOM 0 HE21 GLN A 38 45.970 93.473 71.363 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.152 93.379 70.053 1.00 0.00 H new ATOM 549 N ASN A 39 47.458 94.882 76.567 1.00 15.86 N ATOM 550 CA ASN A 39 48.113 94.040 77.614 1.00 17.88 C ATOM 551 C ASN A 39 48.485 92.669 77.042 1.00 18.37 C ATOM 552 O ASN A 39 47.626 91.900 76.657 1.00 18.69 O ATOM 553 CB ASN A 39 47.082 93.907 78.734 1.00 19.10 C ATOM 554 CG ASN A 39 47.727 93.229 79.945 1.00 21.34 C ATOM 555 OD1 ASN A 39 47.993 91.952 79.899 1.00 20.99 O flip ATOM 556 ND2 ASN A 39 47.992 93.869 80.943 1.00 19.13 N flip ATOM 0 H ASN A 39 46.455 94.732 76.458 1.00 15.86 H new ATOM 0 HA ASN A 39 49.039 94.486 77.977 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.704 94.891 79.013 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.228 93.324 78.389 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.784 94.867 80.979 1.00 19.13 H new ATOM 0 HD22 ASN A 39 48.422 93.408 81.745 1.00 19.13 H new ATOM 563 N ALA A 40 49.754 92.348 77.001 1.00 0.00 N ATOM 564 CA ALA A 40 50.178 91.016 76.472 1.00 0.00 C ATOM 565 C ALA A 40 50.821 90.169 77.583 1.00 0.00 C ATOM 566 O ALA A 40 51.457 89.168 77.312 1.00 0.00 O ATOM 567 CB ALA A 40 51.191 91.323 75.369 1.00 0.00 C ATOM 0 H ALA A 40 50.515 92.952 77.311 1.00 0.00 H new ATOM 0 HA ALA A 40 49.332 90.441 76.095 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.548 90.390 74.933 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.715 91.927 74.596 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.033 91.872 75.791 1.00 0.00 H new ATOM 573 N GLY A 41 50.658 90.556 78.829 1.00 27.60 N ATOM 574 CA GLY A 41 51.256 89.764 79.945 1.00 28.62 C ATOM 575 C GLY A 41 50.345 88.578 80.270 1.00 29.10 C ATOM 576 O GLY A 41 49.340 88.363 79.619 1.00 28.18 O ATOM 0 H GLY A 41 50.137 91.385 79.117 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.247 89.409 79.664 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.381 90.393 80.826 1.00 28.62 H new ATOM 580 N ALA A 42 50.692 87.808 81.271 1.00 0.00 N ATOM 581 CA ALA A 42 49.847 86.633 81.640 1.00 0.00 C ATOM 582 C ALA A 42 48.895 87.012 82.772 1.00 0.00 C ATOM 583 O ALA A 42 47.782 86.531 82.857 1.00 0.00 O ATOM 584 CB ALA A 42 50.837 85.565 82.107 1.00 0.00 C ATOM 0 H ALA A 42 51.523 87.943 81.847 1.00 0.00 H new ATOM 0 HA ALA A 42 49.234 86.283 80.809 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.293 84.666 82.397 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.525 85.327 81.296 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.400 85.940 82.962 1.00 0.00 H new ATOM 590 N VAL A 43 49.341 87.876 83.640 1.00 0.00 N ATOM 591 CA VAL A 43 48.489 88.314 84.787 1.00 0.00 C ATOM 592 C VAL A 43 47.954 89.730 84.523 1.00 0.00 C ATOM 593 O VAL A 43 48.661 90.565 83.992 1.00 0.00 O ATOM 594 CB VAL A 43 49.429 88.287 86.000 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.700 88.779 87.252 1.00 0.00 C ATOM 596 CG2 VAL A 43 49.914 86.853 86.232 1.00 0.00 C ATOM 0 H VAL A 43 50.267 88.303 83.606 1.00 0.00 H new ATOM 0 HA VAL A 43 47.619 87.677 84.942 1.00 0.00 H new ATOM 0 HB VAL A 43 50.277 88.943 85.803 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.381 88.754 88.103 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.355 89.801 87.094 1.00 0.00 H new ATOM 0 HG13 VAL A 43 47.845 88.134 87.452 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.582 86.830 87.093 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.058 86.205 86.420 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.448 86.502 85.349 1.00 0.00 H new ATOM 606 N PRO A 44 46.706 89.953 84.894 1.00 21.08 N ATOM 607 CA PRO A 44 46.111 91.309 84.654 1.00 21.01 C ATOM 608 C PRO A 44 46.995 92.426 85.225 1.00 21.95 C ATOM 609 O PRO A 44 47.602 92.289 86.274 1.00 21.40 O ATOM 610 CB PRO A 44 44.761 91.255 85.368 1.00 20.53 C ATOM 611 CG PRO A 44 44.932 90.194 86.396 1.00 18.90 C ATOM 612 CD PRO A 44 45.815 89.160 85.762 1.00 19.89 C ATOM 0 HA PRO A 44 46.016 91.534 83.592 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.513 92.214 85.823 1.00 20.53 H new ATOM 0 HB3 PRO A 44 43.954 91.012 84.676 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.386 90.595 87.302 1.00 18.90 H new ATOM 0 HG3 PRO A 44 43.971 89.767 86.683 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.377 88.600 86.509 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.237 88.435 85.189 1.00 19.89 H new ATOM 620 N ALA A 45 47.072 93.525 84.520 1.00 20.91 N ATOM 621 CA ALA A 45 47.915 94.667 84.979 1.00 19.47 C ATOM 622 C ALA A 45 47.218 96.005 84.721 1.00 19.21 C ATOM 623 O ALA A 45 46.409 96.143 83.819 1.00 19.53 O ATOM 624 CB ALA A 45 49.187 94.567 84.135 1.00 18.37 C ATOM 0 H ALA A 45 46.582 93.680 83.639 1.00 20.91 H new ATOM 0 HA ALA A 45 48.112 94.622 86.050 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.869 95.373 84.407 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.670 93.607 84.317 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.930 94.650 83.079 1.00 18.37 H new ATOM 630 N ARG A 46 47.535 96.992 85.516 1.00 0.00 N ATOM 631 CA ARG A 46 46.914 98.338 85.345 1.00 0.00 C ATOM 632 C ARG A 46 48.010 99.404 85.267 1.00 0.00 C ATOM 633 O ARG A 46 49.117 99.199 85.731 1.00 0.00 O ATOM 634 CB ARG A 46 46.038 98.541 86.589 1.00 0.00 C ATOM 635 CG ARG A 46 46.895 98.468 87.858 1.00 0.00 C ATOM 636 CD ARG A 46 46.009 98.682 89.086 1.00 0.00 C ATOM 637 NE ARG A 46 46.949 98.704 90.240 1.00 0.00 N ATOM 638 CZ ARG A 46 47.025 97.674 91.038 1.00 0.00 C ATOM 639 NH1 ARG A 46 47.513 96.545 90.602 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.615 97.773 92.273 1.00 0.00 N ATOM 0 H ARG A 46 48.203 96.923 86.283 1.00 0.00 H new ATOM 0 HA ARG A 46 46.326 98.415 84.430 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.536 99.507 86.536 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.260 97.779 86.623 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.391 97.499 87.919 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.678 99.226 87.825 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.452 99.616 89.013 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.277 97.881 89.189 1.00 0.00 H new ATOM 0 HE ARG A 46 47.533 99.523 90.407 1.00 0.00 H new ATOM 0 HH11 ARG A 46 47.835 96.467 89.637 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.572 95.740 91.226 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.235 98.656 92.615 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.675 96.968 92.896 1.00 0.00 H new ATOM 654 N LEU A 47 47.713 100.540 84.689 1.00 0.00 N ATOM 655 CA LEU A 47 48.741 101.619 84.583 1.00 0.00 C ATOM 656 C LEU A 47 48.534 102.622 85.723 1.00 0.00 C ATOM 657 O LEU A 47 47.493 103.241 85.829 1.00 0.00 O ATOM 658 CB LEU A 47 48.491 102.267 83.220 1.00 0.00 C ATOM 659 CG LEU A 47 49.715 103.084 82.804 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.686 103.314 81.293 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.695 104.433 83.520 1.00 0.00 C ATOM 0 H LEU A 47 46.804 100.767 84.286 1.00 0.00 H new ATOM 0 HA LEU A 47 49.764 101.250 84.662 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.284 101.499 82.474 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.612 102.910 83.268 1.00 0.00 H new ATOM 0 HG LEU A 47 50.621 102.541 83.073 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.558 103.896 80.997 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.699 102.353 80.778 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.780 103.857 81.025 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.567 105.015 83.223 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.788 104.975 83.250 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.715 104.273 84.598 1.00 0.00 H new ATOM 673 N VAL A 48 49.508 102.764 86.589 1.00 0.00 N ATOM 674 CA VAL A 48 49.357 103.704 87.743 1.00 0.00 C ATOM 675 C VAL A 48 50.071 105.038 87.483 1.00 0.00 C ATOM 676 O VAL A 48 49.669 106.062 88.006 1.00 0.00 O ATOM 677 CB VAL A 48 49.988 102.978 88.938 1.00 0.00 C ATOM 678 CG1 VAL A 48 49.862 103.843 90.196 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.265 101.649 89.173 1.00 0.00 C ATOM 0 H VAL A 48 50.400 102.270 86.547 1.00 0.00 H new ATOM 0 HA VAL A 48 48.310 103.953 87.916 1.00 0.00 H new ATOM 0 HB VAL A 48 51.041 102.793 88.725 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.312 103.323 91.042 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.376 104.791 90.038 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.809 104.031 90.404 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.715 101.135 90.022 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.212 101.839 89.380 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.352 101.025 88.284 1.00 0.00 H new ATOM 689 N ALA A 49 51.131 105.041 86.704 1.00 0.00 N ATOM 690 CA ALA A 49 51.854 106.331 86.461 1.00 0.00 C ATOM 691 C ALA A 49 52.313 106.471 85.005 1.00 0.00 C ATOM 692 O ALA A 49 52.345 105.519 84.249 1.00 0.00 O ATOM 693 CB ALA A 49 53.059 106.288 87.400 1.00 0.00 C ATOM 0 H ALA A 49 51.519 104.223 86.235 1.00 0.00 H new ATOM 0 HA ALA A 49 51.205 107.187 86.647 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.644 107.200 87.284 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.714 106.207 88.431 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.680 105.426 87.156 1.00 0.00 H new ATOM 699 N ARG A 50 52.665 107.671 84.622 1.00 18.13 N ATOM 700 CA ARG A 50 53.128 107.936 83.227 1.00 20.89 C ATOM 701 C ARG A 50 54.259 108.975 83.213 1.00 22.46 C ATOM 702 O ARG A 50 54.246 109.940 83.953 1.00 23.35 O ATOM 703 CB ARG A 50 51.888 108.476 82.501 1.00 21.09 C ATOM 704 CG ARG A 50 51.433 109.798 83.131 1.00 22.20 C ATOM 705 CD ARG A 50 50.003 110.111 82.685 1.00 26.75 C ATOM 706 NE ARG A 50 49.945 111.596 82.590 1.00 26.68 N ATOM 707 CZ ARG A 50 49.647 112.165 81.455 1.00 28.58 C ATOM 708 NH1 ARG A 50 50.500 112.140 80.468 1.00 29.05 N ATOM 709 NH2 ARG A 50 48.495 112.761 81.306 1.00 27.75 N ATOM 0 H ARG A 50 52.651 108.492 85.227 1.00 18.13 H new ATOM 0 HA ARG A 50 53.529 107.041 82.752 1.00 20.89 H new ATOM 0 HB2 ARG A 50 52.114 108.628 81.446 1.00 21.09 H new ATOM 0 HB3 ARG A 50 51.081 107.745 82.552 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.480 109.730 84.218 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.103 110.605 82.833 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.778 109.645 81.726 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.274 109.733 83.402 1.00 26.75 H new ATOM 0 HE ARG A 50 50.138 112.168 83.412 1.00 26.68 H new ATOM 0 HH11 ARG A 50 51.401 111.675 80.584 1.00 29.05 H new ATOM 0 HH12 ARG A 50 50.266 112.585 79.581 1.00 29.05 H new ATOM 0 HH21 ARG A 50 47.828 112.782 82.077 1.00 27.75 H new ATOM 0 HH22 ARG A 50 48.262 113.206 80.418 1.00 27.75 H new ATOM 723 N HIS A 51 55.231 108.770 82.362 1.00 22.89 N ATOM 724 CA HIS A 51 56.377 109.722 82.262 1.00 23.99 C ATOM 725 C HIS A 51 56.810 109.842 80.796 1.00 24.58 C ATOM 726 O HIS A 51 57.301 108.900 80.204 1.00 24.14 O ATOM 727 CB HIS A 51 57.488 109.103 83.116 1.00 22.92 C ATOM 728 CG HIS A 51 58.706 109.987 83.087 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.976 109.503 83.356 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.862 111.325 82.823 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.835 110.534 83.249 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.208 111.669 82.926 1.00 25.48 N ATOM 0 H HIS A 51 55.280 107.975 81.725 1.00 22.89 H new ATOM 0 HA HIS A 51 56.127 110.725 82.607 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.143 108.977 84.142 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.738 108.111 82.740 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.216 108.540 83.592 1.00 27.97 H new ATOM 0 HD2 HIS A 51 58.063 112.007 82.573 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.901 110.454 83.405 1.00 26.28 H new ATOM 740 N TRP A 52 56.618 110.997 80.209 1.00 24.73 N ATOM 741 CA TRP A 52 57.000 111.196 78.779 1.00 24.73 C ATOM 742 C TRP A 52 58.345 111.923 78.663 1.00 25.24 C ATOM 743 O TRP A 52 58.592 112.905 79.336 1.00 25.25 O ATOM 744 CB TRP A 52 55.894 112.085 78.208 1.00 22.37 C ATOM 745 CG TRP A 52 54.641 111.291 78.027 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.521 111.428 78.774 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.356 110.248 77.050 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.569 110.537 78.317 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.035 109.788 77.256 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.109 109.664 76.015 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.479 108.784 76.464 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.553 108.652 75.215 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.240 108.214 75.440 1.00 18.33 C ATOM 0 H TRP A 52 56.211 111.815 80.663 1.00 24.73 H new ATOM 0 HA TRP A 52 57.105 110.246 78.255 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.709 112.924 78.878 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.210 112.504 77.253 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.392 112.120 79.593 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.635 110.444 78.716 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.121 109.996 75.834 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.467 108.449 76.641 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.139 108.209 74.423 1.00 19.43 H new ATOM 0 HH2 TRP A 52 52.817 107.436 74.822 1.00 18.33 H new ATOM 764 N GLN A 53 59.210 111.445 77.805 1.00 0.00 N ATOM 765 CA GLN A 53 60.541 112.097 77.623 1.00 0.00 C ATOM 766 C GLN A 53 60.657 112.637 76.193 1.00 0.00 C ATOM 767 O GLN A 53 61.296 112.040 75.345 1.00 0.00 O ATOM 768 CB GLN A 53 61.560 110.980 77.859 1.00 0.00 C ATOM 769 CG GLN A 53 62.976 111.553 77.768 1.00 0.00 C ATOM 770 CD GLN A 53 63.992 110.491 78.196 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.651 109.550 78.887 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.233 110.602 77.814 1.00 0.00 N ATOM 0 H GLN A 53 59.050 110.626 77.219 1.00 0.00 H new ATOM 0 HA GLN A 53 60.695 112.937 78.300 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.401 110.529 78.839 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.428 110.190 77.119 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.182 111.877 76.748 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.064 112.432 78.406 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.520 111.391 77.234 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.918 109.900 78.095 1.00 0.00 H new ATOM 781 N ILE A 54 60.028 113.751 75.915 1.00 28.56 N ATOM 782 CA ILE A 54 60.081 114.330 74.535 1.00 31.69 C ATOM 783 C ILE A 54 61.310 115.233 74.340 1.00 31.35 C ATOM 784 O ILE A 54 61.583 116.122 75.125 1.00 31.20 O ATOM 785 CB ILE A 54 58.755 115.113 74.357 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.731 116.378 75.229 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.561 114.224 74.725 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.497 117.213 74.880 1.00 36.11 C ATOM 0 H ILE A 54 59.478 114.287 76.586 1.00 28.56 H new ATOM 0 HA ILE A 54 60.182 113.548 73.782 1.00 31.69 H new ATOM 0 HB ILE A 54 58.686 115.410 73.310 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.713 116.105 76.284 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.637 116.962 75.067 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.636 114.786 74.596 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.547 113.347 74.077 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.650 113.906 75.764 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.479 118.111 75.498 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.535 117.497 73.828 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.597 116.627 75.065 1.00 36.11 H new ATOM 800 N THR A 55 62.042 115.014 73.277 1.00 32.39 N ATOM 801 CA THR A 55 63.237 115.862 72.981 1.00 32.79 C ATOM 802 C THR A 55 63.020 116.546 71.632 1.00 33.98 C ATOM 803 O THR A 55 62.607 115.925 70.669 1.00 33.62 O ATOM 804 CB THR A 55 64.440 114.918 72.945 1.00 32.44 C ATOM 805 OG1 THR A 55 64.372 114.026 74.049 1.00 30.14 O ATOM 806 CG2 THR A 55 65.731 115.733 73.022 1.00 31.51 C ATOM 0 H THR A 55 61.861 114.277 72.595 1.00 32.39 H new ATOM 0 HA THR A 55 63.400 116.639 73.728 1.00 32.79 H new ATOM 0 HB THR A 55 64.429 114.348 72.016 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.059 114.510 74.842 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.588 115.060 72.996 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.781 116.417 72.174 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.746 116.304 73.950 1.00 31.51 H new ATOM 814 N ASP A 56 63.266 117.832 71.568 1.00 36.19 N ATOM 815 CA ASP A 56 63.044 118.574 70.295 1.00 38.66 C ATOM 816 C ASP A 56 64.289 118.537 69.401 1.00 38.50 C ATOM 817 O ASP A 56 65.353 118.112 69.805 1.00 37.75 O ATOM 818 CB ASP A 56 62.713 120.006 70.717 1.00 41.21 C ATOM 819 CG ASP A 56 62.124 120.769 69.529 1.00 42.74 C ATOM 820 OD1 ASP A 56 61.418 120.154 68.746 1.00 43.86 O ATOM 821 OD2 ASP A 56 62.387 121.956 69.422 1.00 45.04 O ATOM 0 H ASP A 56 63.611 118.397 72.344 1.00 36.19 H new ATOM 0 HA ASP A 56 62.243 118.128 69.706 1.00 38.66 H new ATOM 0 HB2 ASP A 56 62.003 119.997 71.544 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.612 120.508 71.074 1.00 41.21 H new ATOM 826 N GLY A 57 64.141 118.972 68.176 1.00 37.51 N ATOM 827 CA GLY A 57 65.278 118.969 67.206 1.00 38.01 C ATOM 828 C GLY A 57 66.444 119.859 67.675 1.00 39.47 C ATOM 829 O GLY A 57 67.505 119.838 67.078 1.00 38.99 O ATOM 0 H GLY A 57 63.265 119.335 67.801 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.634 117.948 67.070 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.926 119.316 66.235 1.00 38.01 H new ATOM 833 N ASN A 58 66.286 120.622 68.737 1.00 0.00 N ATOM 834 CA ASN A 58 67.422 121.472 69.214 1.00 0.00 C ATOM 835 C ASN A 58 68.119 120.820 70.423 1.00 0.00 C ATOM 836 O ASN A 58 68.992 121.408 71.032 1.00 0.00 O ATOM 837 CB ASN A 58 66.797 122.814 69.595 1.00 0.00 C ATOM 838 CG ASN A 58 66.320 123.533 68.333 1.00 0.00 C ATOM 839 OD1 ASN A 58 67.069 123.687 67.387 1.00 0.00 O ATOM 840 ND2 ASN A 58 65.097 123.984 68.274 1.00 0.00 N ATOM 0 H ASN A 58 65.429 120.690 69.286 1.00 0.00 H new ATOM 0 HA ASN A 58 68.188 121.593 68.448 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.960 122.657 70.275 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.525 123.429 70.123 1.00 0.00 H new ATOM 0 HD21 ASN A 58 64.771 124.465 67.436 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.467 123.856 69.066 1.00 0.00 H new ATOM 847 N GLY A 59 67.755 119.602 70.760 1.00 0.00 N ATOM 848 CA GLY A 59 68.410 118.904 71.909 1.00 0.00 C ATOM 849 C GLY A 59 67.620 119.127 73.203 1.00 0.00 C ATOM 850 O GLY A 59 67.633 118.291 74.088 1.00 0.00 O ATOM 0 H GLY A 59 67.031 119.063 70.286 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.480 117.837 71.700 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.429 119.272 72.031 1.00 0.00 H new ATOM 854 N ARG A 60 66.938 120.238 73.329 1.00 49.10 N ATOM 855 CA ARG A 60 66.155 120.495 74.579 1.00 50.05 C ATOM 856 C ARG A 60 65.047 119.448 74.720 1.00 49.79 C ATOM 857 O ARG A 60 64.447 119.040 73.744 1.00 48.27 O ATOM 858 CB ARG A 60 65.557 121.898 74.406 1.00 52.38 C ATOM 859 CG ARG A 60 66.275 122.895 75.331 1.00 55.08 C ATOM 860 CD ARG A 60 67.183 123.812 74.504 1.00 57.97 C ATOM 861 NE ARG A 60 66.269 124.522 73.564 1.00 60.72 N ATOM 862 CZ ARG A 60 66.680 125.592 72.940 1.00 61.65 C ATOM 863 NH1 ARG A 60 67.586 125.493 72.006 1.00 61.80 N ATOM 864 NH2 ARG A 60 66.187 126.759 73.249 1.00 62.78 N ATOM 0 H ARG A 60 66.889 120.975 72.625 1.00 49.10 H new ATOM 0 HA ARG A 60 66.773 120.434 75.475 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.654 122.218 73.368 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.492 121.879 74.636 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.543 123.490 75.877 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.865 122.357 76.072 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.717 124.517 75.142 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.935 123.238 73.963 1.00 57.97 H new ATOM 0 HE ARG A 60 65.324 124.172 73.409 1.00 60.72 H new ATOM 0 HH11 ARG A 60 67.972 124.580 71.765 1.00 61.80 H new ATOM 0 HH12 ARG A 60 67.908 126.328 71.517 1.00 61.80 H new ATOM 0 HH21 ARG A 60 65.479 126.836 73.979 1.00 62.78 H new ATOM 0 HH22 ARG A 60 66.509 127.594 72.760 1.00 62.78 H new ATOM 878 N THR A 61 64.776 119.008 75.925 1.00 0.00 N ATOM 879 CA THR A 61 63.708 117.980 76.119 1.00 0.00 C ATOM 880 C THR A 61 62.800 118.358 77.294 1.00 0.00 C ATOM 881 O THR A 61 63.210 119.045 78.210 1.00 0.00 O ATOM 882 CB THR A 61 64.451 116.669 76.400 1.00 0.00 C ATOM 883 OG1 THR A 61 63.508 115.629 76.617 1.00 0.00 O ATOM 884 CG2 THR A 61 65.336 116.823 77.642 1.00 0.00 C ATOM 0 H THR A 61 65.245 119.314 76.777 1.00 0.00 H new ATOM 0 HA THR A 61 63.062 117.896 75.245 1.00 0.00 H new ATOM 0 HB THR A 61 65.079 116.423 75.543 1.00 0.00 H new ATOM 0 HG1 THR A 61 62.653 115.871 76.204 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.860 115.887 77.834 1.00 0.00 H new ATOM 0 HG22 THR A 61 66.063 117.618 77.475 1.00 0.00 H new ATOM 0 HG23 THR A 61 64.715 117.074 78.502 1.00 0.00 H new ATOM 892 N GLU A 62 61.568 117.917 77.265 1.00 0.00 N ATOM 893 CA GLU A 62 60.623 118.249 78.371 1.00 0.00 C ATOM 894 C GLU A 62 60.074 116.966 79.003 1.00 0.00 C ATOM 895 O GLU A 62 59.533 116.108 78.329 1.00 0.00 O ATOM 896 CB GLU A 62 59.498 119.045 77.705 1.00 0.00 C ATOM 897 CG GLU A 62 58.486 119.492 78.765 1.00 0.00 C ATOM 898 CD GLU A 62 57.353 120.293 78.109 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.551 120.784 77.007 1.00 0.00 O ATOM 900 OE2 GLU A 62 56.303 120.399 78.720 1.00 0.00 O ATOM 0 H GLU A 62 61.176 117.340 76.521 1.00 0.00 H new ATOM 0 HA GLU A 62 61.104 118.814 79.170 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.909 119.914 77.191 1.00 0.00 H new ATOM 0 HB3 GLU A 62 59.003 118.433 76.951 1.00 0.00 H new ATOM 0 HG2 GLU A 62 58.077 118.622 79.278 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.983 120.102 79.519 1.00 0.00 H new ATOM 907 N GLN A 63 60.220 116.833 80.296 1.00 0.00 N ATOM 908 CA GLN A 63 59.719 115.613 80.995 1.00 0.00 C ATOM 909 C GLN A 63 58.404 115.912 81.720 1.00 0.00 C ATOM 910 O GLN A 63 58.269 116.921 82.386 1.00 0.00 O ATOM 911 CB GLN A 63 60.812 115.278 82.011 1.00 0.00 C ATOM 912 CG GLN A 63 62.057 114.776 81.277 1.00 0.00 C ATOM 913 CD GLN A 63 63.149 114.441 82.294 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.334 115.154 83.261 1.00 0.00 O ATOM 915 NE2 GLN A 63 63.888 113.380 82.115 1.00 0.00 N ATOM 0 H GLN A 63 60.668 117.522 80.901 1.00 0.00 H new ATOM 0 HA GLN A 63 59.521 114.794 80.304 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.057 116.161 82.602 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.456 114.518 82.706 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.813 113.893 80.686 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.414 115.536 80.582 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.733 112.781 81.304 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.620 113.149 82.786 1.00 0.00 H new ATOM 924 N VAL A 64 57.436 115.042 81.592 1.00 37.94 N ATOM 925 CA VAL A 64 56.122 115.270 82.268 1.00 37.05 C ATOM 926 C VAL A 64 55.727 114.031 83.080 1.00 36.89 C ATOM 927 O VAL A 64 55.800 112.913 82.607 1.00 36.32 O ATOM 928 CB VAL A 64 55.122 115.532 81.138 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.730 115.780 81.726 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.561 116.764 80.343 1.00 35.74 C ATOM 0 H VAL A 64 57.498 114.182 81.048 1.00 37.94 H new ATOM 0 HA VAL A 64 56.156 116.106 82.967 1.00 37.05 H new ATOM 0 HB VAL A 64 55.088 114.663 80.480 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.022 115.966 80.919 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.413 114.904 82.292 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.763 116.647 82.386 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.849 116.951 79.539 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.597 117.630 81.004 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.550 116.590 79.919 1.00 35.74 H new ATOM 940 N ASP A 65 55.319 114.237 84.304 1.00 0.00 N ATOM 941 CA ASP A 65 54.924 113.095 85.181 1.00 0.00 C ATOM 942 C ASP A 65 53.510 113.309 85.729 1.00 0.00 C ATOM 943 O ASP A 65 53.209 114.334 86.312 1.00 0.00 O ATOM 944 CB ASP A 65 55.944 113.106 86.321 1.00 0.00 C ATOM 945 CG ASP A 65 55.785 111.839 87.166 1.00 0.00 C ATOM 946 OD1 ASP A 65 54.667 111.364 87.283 1.00 0.00 O ATOM 947 OD2 ASP A 65 56.785 111.367 87.682 1.00 0.00 O ATOM 0 H ASP A 65 55.242 115.157 84.738 1.00 0.00 H new ATOM 0 HA ASP A 65 54.916 112.146 84.644 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.955 113.161 85.917 1.00 0.00 H new ATOM 0 HB3 ASP A 65 55.800 113.990 86.942 1.00 0.00 H new ATOM 952 N GLY A 66 52.648 112.341 85.556 1.00 31.82 N ATOM 953 CA GLY A 66 51.252 112.464 86.071 1.00 29.07 C ATOM 954 C GLY A 66 50.793 111.096 86.575 1.00 27.67 C ATOM 955 O GLY A 66 51.565 110.153 86.602 1.00 27.18 O ATOM 0 H GLY A 66 52.853 111.464 85.077 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.210 113.197 86.877 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.588 112.818 85.282 1.00 29.07 H new ATOM 959 N GLU A 67 49.550 110.967 86.970 1.00 0.00 N ATOM 960 CA GLU A 67 49.053 109.646 87.467 1.00 0.00 C ATOM 961 C GLU A 67 49.073 108.620 86.326 1.00 0.00 C ATOM 962 O GLU A 67 49.803 108.766 85.366 1.00 0.00 O ATOM 963 CB GLU A 67 47.619 109.908 87.944 1.00 0.00 C ATOM 964 CG GLU A 67 47.635 110.940 89.075 1.00 0.00 C ATOM 965 CD GLU A 67 46.205 111.200 89.550 1.00 0.00 C ATOM 966 OE1 GLU A 67 45.546 112.037 88.953 1.00 0.00 O ATOM 967 OE2 GLU A 67 45.791 110.557 90.501 1.00 0.00 O ATOM 0 H GLU A 67 48.859 111.718 86.970 1.00 0.00 H new ATOM 0 HA GLU A 67 49.671 109.242 88.269 1.00 0.00 H new ATOM 0 HB2 GLU A 67 47.010 110.270 87.116 1.00 0.00 H new ATOM 0 HB3 GLU A 67 47.165 108.980 88.291 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.244 110.578 89.903 1.00 0.00 H new ATOM 0 HG3 GLU A 67 48.088 111.868 88.728 1.00 0.00 H new ATOM 974 N GLY A 68 48.279 107.579 86.426 1.00 22.62 N ATOM 975 CA GLY A 68 48.248 106.531 85.356 1.00 22.36 C ATOM 976 C GLY A 68 48.056 107.175 83.976 1.00 20.38 C ATOM 977 O GLY A 68 49.010 107.538 83.317 1.00 21.93 O ATOM 0 H GLY A 68 47.647 107.410 87.209 1.00 22.62 H new ATOM 0 HA2 GLY A 68 49.177 105.960 85.371 1.00 22.36 H new ATOM 0 HA3 GLY A 68 47.438 105.828 85.551 1.00 22.36 H new ATOM 981 N VAL A 69 46.831 107.319 83.539 1.00 17.51 N ATOM 982 CA VAL A 69 46.578 107.941 82.202 1.00 15.40 C ATOM 983 C VAL A 69 45.359 108.863 82.272 1.00 17.02 C ATOM 984 O VAL A 69 44.310 108.489 82.747 1.00 17.35 O ATOM 985 CB VAL A 69 46.329 106.782 81.225 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.611 105.964 81.068 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.201 105.876 81.731 1.00 8.21 C ATOM 0 H VAL A 69 45.995 107.033 84.049 1.00 17.51 H new ATOM 0 HA VAL A 69 47.423 108.548 81.877 1.00 15.40 H new ATOM 0 HB VAL A 69 46.034 107.197 80.261 1.00 12.26 H new ATOM 0 HG11 VAL A 69 47.435 105.141 80.375 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.405 106.602 80.680 1.00 8.73 H new ATOM 0 HG13 VAL A 69 47.909 105.564 82.037 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.042 105.062 81.023 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.474 105.464 82.703 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.284 106.457 81.828 1.00 8.21 H new ATOM 997 N VAL A 70 45.521 110.076 81.803 1.00 17.68 N ATOM 998 CA VAL A 70 44.419 111.104 81.808 1.00 16.81 C ATOM 999 C VAL A 70 43.601 111.074 83.119 1.00 17.08 C ATOM 1000 O VAL A 70 42.417 111.353 83.131 1.00 16.77 O ATOM 1001 CB VAL A 70 43.541 110.823 80.570 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.414 110.762 79.312 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.784 109.502 80.732 1.00 20.55 C ATOM 0 H VAL A 70 46.397 110.411 81.403 1.00 17.68 H new ATOM 0 HA VAL A 70 44.837 112.110 81.759 1.00 16.81 H new ATOM 0 HB VAL A 70 42.817 111.632 80.472 1.00 18.60 H new ATOM 0 HG11 VAL A 70 43.787 110.563 78.443 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.927 111.714 79.179 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.150 109.965 79.418 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.171 109.323 79.848 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.497 108.686 80.850 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.144 109.555 81.613 1.00 20.55 H new ATOM 1013 N GLY A 71 44.247 110.778 84.221 1.00 17.30 N ATOM 1014 CA GLY A 71 43.547 110.772 85.546 1.00 16.44 C ATOM 1015 C GLY A 71 42.819 109.447 85.829 1.00 18.03 C ATOM 1016 O GLY A 71 41.908 109.413 86.637 1.00 18.29 O ATOM 0 H GLY A 71 45.238 110.538 84.260 1.00 17.30 H new ATOM 0 HA2 GLY A 71 44.274 110.958 86.337 1.00 16.44 H new ATOM 0 HA3 GLY A 71 42.827 111.590 85.575 1.00 16.44 H new ATOM 1020 N GLU A 72 43.202 108.360 85.200 1.00 0.00 N ATOM 1021 CA GLU A 72 42.504 107.061 85.488 1.00 0.00 C ATOM 1022 C GLU A 72 43.498 105.895 85.551 1.00 0.00 C ATOM 1023 O GLU A 72 44.527 105.903 84.906 1.00 0.00 O ATOM 1024 CB GLU A 72 41.494 106.855 84.351 1.00 0.00 C ATOM 1025 CG GLU A 72 42.214 106.775 83.004 1.00 0.00 C ATOM 1026 CD GLU A 72 41.496 105.776 82.095 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.512 106.163 81.485 1.00 0.00 O ATOM 1028 OE2 GLU A 72 41.941 104.643 82.025 1.00 0.00 O ATOM 0 H GLU A 72 43.953 108.313 84.512 1.00 0.00 H new ATOM 0 HA GLU A 72 42.009 107.094 86.459 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.927 105.940 84.522 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.778 107.677 84.339 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.237 107.758 82.534 1.00 0.00 H new ATOM 0 HG3 GLU A 72 43.249 106.468 83.152 1.00 0.00 H new ATOM 1035 N GLN A 73 43.179 104.893 86.329 1.00 13.09 N ATOM 1036 CA GLN A 73 44.074 103.704 86.458 1.00 15.45 C ATOM 1037 C GLN A 73 43.367 102.476 85.867 1.00 15.30 C ATOM 1038 O GLN A 73 42.878 101.632 86.595 1.00 16.40 O ATOM 1039 CB GLN A 73 44.282 103.533 87.964 1.00 18.12 C ATOM 1040 CG GLN A 73 45.165 104.666 88.491 1.00 18.21 C ATOM 1041 CD GLN A 73 45.154 104.653 90.021 1.00 16.98 C ATOM 1042 OE1 GLN A 73 45.960 103.988 90.641 1.00 18.14 O ATOM 1043 NE2 GLN A 73 44.267 105.366 90.660 1.00 14.04 N ATOM 0 H GLN A 73 42.326 104.848 86.887 1.00 13.09 H new ATOM 0 HA GLN A 73 45.021 103.823 85.932 1.00 15.45 H new ATOM 0 HB2 GLN A 73 43.320 103.539 88.477 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.748 102.569 88.170 1.00 18.12 H new ATOM 0 HG2 GLN A 73 46.184 104.548 88.123 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.802 105.625 88.122 1.00 18.21 H new ATOM 0 HE21 GLN A 73 43.590 105.924 90.140 1.00 14.04 H new ATOM 0 HE22 GLN A 73 44.250 105.365 91.680 1.00 14.04 H new ATOM 1052 N PRO A 74 43.315 102.430 84.554 1.00 15.25 N ATOM 1053 CA PRO A 74 42.620 101.285 83.895 1.00 16.63 C ATOM 1054 C PRO A 74 43.219 99.936 84.312 1.00 17.41 C ATOM 1055 O PRO A 74 44.421 99.788 84.450 1.00 17.61 O ATOM 1056 CB PRO A 74 42.838 101.523 82.405 1.00 16.18 C ATOM 1057 CG PRO A 74 44.077 102.345 82.325 1.00 16.38 C ATOM 1058 CD PRO A 74 44.118 103.185 83.571 1.00 13.89 C ATOM 0 HA PRO A 74 41.567 101.239 84.173 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.953 100.582 81.867 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.990 102.043 81.960 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.960 101.709 82.257 1.00 16.38 H new ATOM 0 HG3 PRO A 74 44.068 102.973 81.434 1.00 16.38 H new ATOM 0 HD2 PRO A 74 45.141 103.327 83.920 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.700 104.176 83.395 1.00 13.89 H new ATOM 1066 N TRP A 75 42.376 98.951 84.488 1.00 0.00 N ATOM 1067 CA TRP A 75 42.853 97.588 84.869 1.00 0.00 C ATOM 1068 C TRP A 75 42.796 96.688 83.633 1.00 0.00 C ATOM 1069 O TRP A 75 41.894 95.885 83.479 1.00 0.00 O ATOM 1070 CB TRP A 75 41.868 97.106 85.935 1.00 0.00 C ATOM 1071 CG TRP A 75 42.584 96.241 86.921 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.417 96.691 87.888 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.545 94.792 87.057 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.893 95.609 88.607 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.384 94.416 88.133 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.870 93.775 86.356 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.548 93.081 88.501 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 42.033 92.429 86.725 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.871 92.083 87.796 1.00 0.00 C ATOM 0 H TRP A 75 41.365 99.035 84.382 1.00 0.00 H new ATOM 0 HA TRP A 75 43.877 97.579 85.243 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.419 97.960 86.443 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.055 96.549 85.469 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.669 97.725 88.069 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.541 95.683 89.391 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.223 94.031 85.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.194 92.820 89.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.510 91.656 86.181 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.992 91.047 88.075 1.00 0.00 H new ATOM 1090 N LEU A 76 43.735 96.843 82.739 1.00 18.07 N ATOM 1091 CA LEU A 76 43.728 96.027 81.485 1.00 17.96 C ATOM 1092 C LEU A 76 43.896 94.536 81.773 1.00 19.47 C ATOM 1093 O LEU A 76 44.886 94.107 82.334 1.00 20.57 O ATOM 1094 CB LEU A 76 44.909 96.542 80.663 1.00 16.79 C ATOM 1095 CG LEU A 76 44.485 97.789 79.885 1.00 17.27 C ATOM 1096 CD1 LEU A 76 45.698 98.368 79.159 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.414 97.415 78.857 1.00 15.14 C ATOM 0 H LEU A 76 44.510 97.501 82.821 1.00 18.07 H new ATOM 0 HA LEU A 76 42.777 96.127 80.961 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.747 96.777 81.319 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.251 95.769 79.974 1.00 16.79 H new ATOM 0 HG LEU A 76 44.082 98.528 80.578 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.399 99.257 78.603 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.464 98.635 79.887 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.097 97.625 78.468 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.114 98.305 78.304 1.00 15.14 H new ATOM 0 HD22 LEU A 76 43.817 96.676 78.164 1.00 15.14 H new ATOM 0 HD23 LEU A 76 42.548 96.997 79.370 1.00 15.14 H new ATOM 1109 N ARG A 77 42.942 93.744 81.356 1.00 0.00 N ATOM 1110 CA ARG A 77 43.039 92.271 81.559 1.00 0.00 C ATOM 1111 C ARG A 77 43.823 91.669 80.387 1.00 0.00 C ATOM 1112 O ARG A 77 43.910 92.279 79.339 1.00 0.00 O ATOM 1113 CB ARG A 77 41.594 91.768 81.560 1.00 0.00 C ATOM 1114 CG ARG A 77 41.125 91.555 83.001 1.00 0.00 C ATOM 1115 CD ARG A 77 39.592 91.582 83.056 1.00 0.00 C ATOM 1116 NE ARG A 77 39.206 90.327 83.760 1.00 0.00 N ATOM 1117 CZ ARG A 77 39.074 90.320 85.058 1.00 0.00 C ATOM 1118 NH1 ARG A 77 38.312 91.205 85.641 1.00 0.00 N ATOM 1119 NH2 ARG A 77 39.705 89.430 85.774 1.00 0.00 N ATOM 0 H ARG A 77 42.096 94.058 80.881 1.00 0.00 H new ATOM 0 HA ARG A 77 43.550 91.997 82.482 1.00 0.00 H new ATOM 0 HB2 ARG A 77 40.947 92.488 81.059 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.523 90.834 81.002 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.495 90.601 83.377 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.535 92.332 83.646 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.232 92.461 83.591 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.162 91.620 82.055 1.00 0.00 H new ATOM 0 HE ARG A 77 39.045 89.473 83.227 1.00 0.00 H new ATOM 0 HH11 ARG A 77 37.820 91.902 85.082 1.00 0.00 H new ATOM 0 HH12 ARG A 77 38.209 91.200 86.656 1.00 0.00 H new ATOM 0 HH21 ARG A 77 40.302 88.739 85.319 1.00 0.00 H new ATOM 0 HH22 ARG A 77 39.601 89.425 86.789 1.00 0.00 H new ATOM 1133 N PRO A 78 44.381 90.495 80.593 1.00 23.86 N ATOM 1134 CA PRO A 78 45.166 89.875 79.481 1.00 24.22 C ATOM 1135 C PRO A 78 44.332 89.796 78.190 1.00 24.36 C ATOM 1136 O PRO A 78 43.220 89.304 78.182 1.00 22.27 O ATOM 1137 CB PRO A 78 45.517 88.484 79.996 1.00 25.39 C ATOM 1138 CG PRO A 78 44.467 88.177 81.008 1.00 27.04 C ATOM 1139 CD PRO A 78 44.055 89.489 81.621 1.00 25.13 C ATOM 0 HA PRO A 78 46.051 90.457 79.224 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.515 87.751 79.189 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.512 88.466 80.440 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.614 87.683 80.542 1.00 27.04 H new ATOM 0 HG3 PRO A 78 44.851 87.498 81.770 1.00 27.04 H new ATOM 0 HD2 PRO A 78 42.992 89.498 81.862 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.594 89.680 82.549 1.00 25.13 H new ATOM 1147 N GLY A 79 44.883 90.280 77.106 1.00 24.74 N ATOM 1148 CA GLY A 79 44.154 90.243 75.802 1.00 23.79 C ATOM 1149 C GLY A 79 43.315 91.517 75.609 1.00 23.44 C ATOM 1150 O GLY A 79 42.909 91.827 74.504 1.00 22.44 O ATOM 0 H GLY A 79 45.811 90.701 77.068 1.00 24.74 H new ATOM 0 HA2 GLY A 79 44.868 90.145 74.984 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.506 89.367 75.767 1.00 23.79 H new ATOM 1154 N GLU A 80 43.054 92.259 76.661 1.00 23.31 N ATOM 1155 CA GLU A 80 42.244 93.511 76.516 1.00 21.90 C ATOM 1156 C GLU A 80 43.150 94.705 76.199 1.00 20.95 C ATOM 1157 O GLU A 80 44.354 94.641 76.354 1.00 19.52 O ATOM 1158 CB GLU A 80 41.550 93.703 77.865 1.00 23.06 C ATOM 1159 CG GLU A 80 40.517 92.595 78.073 1.00 23.88 C ATOM 1160 CD GLU A 80 39.394 92.741 77.044 1.00 27.44 C ATOM 1161 OE1 GLU A 80 38.749 93.778 77.044 1.00 25.91 O ATOM 1162 OE2 GLU A 80 39.197 91.816 76.275 1.00 29.38 O ATOM 0 H GLU A 80 43.366 92.052 77.610 1.00 23.31 H new ATOM 0 HA GLU A 80 41.526 93.438 75.699 1.00 21.90 H new ATOM 0 HB2 GLU A 80 42.285 93.684 78.669 1.00 23.06 H new ATOM 0 HB3 GLU A 80 41.064 94.678 77.900 1.00 23.06 H new ATOM 0 HG2 GLU A 80 40.991 91.619 77.973 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.109 92.649 79.082 1.00 23.88 H new ATOM 1169 N ALA A 81 42.571 95.792 75.748 1.00 0.00 N ATOM 1170 CA ALA A 81 43.384 97.000 75.409 1.00 0.00 C ATOM 1171 C ALA A 81 42.592 98.275 75.722 1.00 0.00 C ATOM 1172 O ALA A 81 41.378 98.297 75.640 1.00 0.00 O ATOM 1173 CB ALA A 81 43.657 96.888 73.908 1.00 0.00 C ATOM 0 H ALA A 81 41.567 95.894 75.600 1.00 0.00 H new ATOM 0 HA ALA A 81 44.308 97.052 75.985 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.251 97.742 73.582 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.203 95.967 73.705 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.711 96.876 73.366 1.00 0.00 H new ATOM 1179 N PHE A 82 43.274 99.339 76.064 1.00 18.56 N ATOM 1180 CA PHE A 82 42.575 100.626 76.368 1.00 17.00 C ATOM 1181 C PHE A 82 43.027 101.693 75.363 1.00 16.61 C ATOM 1182 O PHE A 82 44.171 101.705 74.949 1.00 15.77 O ATOM 1183 CB PHE A 82 43.017 100.991 77.789 1.00 13.41 C ATOM 1184 CG PHE A 82 42.368 102.290 78.207 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.125 102.274 78.852 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.008 103.509 77.952 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.522 103.477 79.240 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.405 104.711 78.341 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.162 104.695 78.984 1.00 9.06 C ATOM 0 H PHE A 82 44.290 99.372 76.146 1.00 18.56 H new ATOM 0 HA PHE A 82 41.490 100.550 76.297 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.741 100.196 78.482 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.102 101.086 77.829 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.631 101.334 79.050 1.00 10.24 H new ATOM 0 HD2 PHE A 82 43.967 103.522 77.455 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.563 103.465 79.737 1.00 10.01 H new ATOM 0 HE2 PHE A 82 42.899 105.651 78.145 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.697 105.623 79.283 1.00 9.06 H new ATOM 1199 N HIS A 83 42.149 102.580 74.961 1.00 0.00 N ATOM 1200 CA HIS A 83 42.556 103.631 73.975 1.00 0.00 C ATOM 1201 C HIS A 83 41.883 104.975 74.285 1.00 0.00 C ATOM 1202 O HIS A 83 40.720 105.033 74.637 1.00 0.00 O ATOM 1203 CB HIS A 83 42.101 103.099 72.609 1.00 0.00 C ATOM 1204 CG HIS A 83 40.609 102.875 72.610 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.712 103.877 72.279 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.847 101.770 72.899 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.473 103.361 72.376 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.499 102.079 72.750 1.00 0.00 N ATOM 0 H HIS A 83 41.178 102.623 75.269 1.00 0.00 H new ATOM 0 HA HIS A 83 43.630 103.815 74.006 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.369 103.808 71.826 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.616 102.165 72.384 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.235 100.807 73.197 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.568 103.916 72.176 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.702 101.460 72.895 1.00 0.00 H new ATOM 1216 N TYR A 84 42.611 106.054 74.135 1.00 21.96 N ATOM 1217 CA TYR A 84 42.032 107.406 74.393 1.00 22.81 C ATOM 1218 C TYR A 84 42.732 108.449 73.508 1.00 25.11 C ATOM 1219 O TYR A 84 43.821 108.218 73.015 1.00 26.65 O ATOM 1220 CB TYR A 84 42.263 107.676 75.889 1.00 19.35 C ATOM 1221 CG TYR A 84 43.741 107.788 76.195 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.486 106.640 76.486 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.362 109.043 76.196 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.851 106.745 76.778 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.727 109.148 76.489 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.471 107.999 76.779 1.00 12.19 C ATOM 1227 OH TYR A 84 47.817 108.103 77.069 1.00 13.46 O ATOM 0 H TYR A 84 43.588 106.055 73.843 1.00 21.96 H new ATOM 0 HA TYR A 84 40.970 107.461 74.153 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.757 108.597 76.179 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.825 106.872 76.480 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.007 105.672 76.485 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.788 109.930 75.971 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.425 105.858 77.002 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.206 110.116 76.491 1.00 14.00 H new ATOM 0 HH TYR A 84 48.089 109.043 77.025 1.00 13.46 H new ATOM 1237 N THR A 85 42.113 109.584 73.296 1.00 26.58 N ATOM 1238 CA THR A 85 42.742 110.632 72.432 1.00 26.99 C ATOM 1239 C THR A 85 43.345 111.752 73.288 1.00 28.14 C ATOM 1240 O THR A 85 42.745 112.208 74.243 1.00 27.02 O ATOM 1241 CB THR A 85 41.600 111.171 71.570 1.00 26.65 C ATOM 1242 OG1 THR A 85 40.993 110.097 70.866 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.150 112.192 70.572 1.00 21.76 C ATOM 0 H THR A 85 41.202 109.830 73.682 1.00 26.58 H new ATOM 0 HA THR A 85 43.557 110.229 71.830 1.00 26.99 H new ATOM 0 HB THR A 85 40.859 111.653 72.208 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.260 110.441 70.314 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.335 112.576 69.958 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.615 113.016 71.113 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.892 111.713 69.933 1.00 21.76 H new ATOM 1251 N SER A 86 44.530 112.195 72.945 1.00 29.06 N ATOM 1252 CA SER A 86 45.186 113.286 73.727 1.00 29.05 C ATOM 1253 C SER A 86 45.573 114.443 72.797 1.00 29.43 C ATOM 1254 O SER A 86 45.518 114.312 71.584 1.00 29.12 O ATOM 1255 CB SER A 86 46.434 112.641 74.317 1.00 29.12 C ATOM 1256 OG SER A 86 47.267 113.656 74.859 1.00 33.88 O ATOM 0 H SER A 86 45.072 111.846 72.154 1.00 29.06 H new ATOM 0 HA SER A 86 44.532 113.699 74.495 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.158 111.927 75.093 1.00 29.12 H new ATOM 0 HB3 SER A 86 46.970 112.085 73.548 1.00 29.12 H new ATOM 0 HG SER A 86 48.144 113.628 74.422 1.00 33.88 H new ATOM 1262 N GLY A 87 45.977 115.568 73.341 1.00 29.08 N ATOM 1263 CA GLY A 87 46.371 116.718 72.471 1.00 29.89 C ATOM 1264 C GLY A 87 47.610 117.420 73.042 1.00 31.80 C ATOM 1265 O GLY A 87 47.630 117.836 74.185 1.00 31.40 O ATOM 0 H GLY A 87 46.050 115.737 74.344 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.579 116.364 71.461 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.546 117.426 72.397 1.00 29.89 H new ATOM 1269 N VAL A 88 48.636 117.565 72.241 1.00 0.00 N ATOM 1270 CA VAL A 88 49.884 118.251 72.705 1.00 0.00 C ATOM 1271 C VAL A 88 50.290 119.321 71.682 1.00 0.00 C ATOM 1272 O VAL A 88 49.984 119.217 70.508 1.00 0.00 O ATOM 1273 CB VAL A 88 50.946 117.143 72.801 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.321 117.752 73.109 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.573 116.177 73.928 1.00 0.00 C ATOM 0 H VAL A 88 48.664 117.235 71.276 1.00 0.00 H new ATOM 0 HA VAL A 88 49.756 118.756 73.663 1.00 0.00 H new ATOM 0 HB VAL A 88 50.988 116.614 71.849 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.064 116.958 73.175 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.599 118.444 72.314 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.278 118.287 74.057 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.325 115.391 73.997 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.527 116.720 74.872 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.601 115.731 73.718 1.00 0.00 H new ATOM 1285 N LEU A 89 50.967 120.350 72.127 1.00 0.00 N ATOM 1286 CA LEU A 89 51.389 121.438 71.192 1.00 0.00 C ATOM 1287 C LEU A 89 52.910 121.419 70.998 1.00 0.00 C ATOM 1288 O LEU A 89 53.658 121.160 71.921 1.00 0.00 O ATOM 1289 CB LEU A 89 50.950 122.732 71.882 1.00 0.00 C ATOM 1290 CG LEU A 89 51.046 123.900 70.899 1.00 0.00 C ATOM 1291 CD1 LEU A 89 50.093 125.014 71.339 1.00 0.00 C ATOM 1292 CD2 LEU A 89 52.481 124.435 70.877 1.00 0.00 C ATOM 0 H LEU A 89 51.246 120.484 73.099 1.00 0.00 H new ATOM 0 HA LEU A 89 50.948 121.328 70.201 1.00 0.00 H new ATOM 0 HB2 LEU A 89 49.927 122.633 72.245 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.579 122.923 72.751 1.00 0.00 H new ATOM 0 HG LEU A 89 50.772 123.558 69.901 1.00 0.00 H new ATOM 0 HD11 LEU A 89 50.160 125.847 70.640 1.00 0.00 H new ATOM 0 HD12 LEU A 89 49.071 124.634 71.354 1.00 0.00 H new ATOM 0 HD13 LEU A 89 50.368 125.355 72.337 1.00 0.00 H new ATOM 0 HD21 LEU A 89 52.548 125.267 70.176 1.00 0.00 H new ATOM 0 HD22 LEU A 89 52.757 124.777 71.874 1.00 0.00 H new ATOM 0 HD23 LEU A 89 53.160 123.642 70.565 1.00 0.00 H new ATOM 1304 N LEU A 90 53.368 121.694 69.800 1.00 37.85 N ATOM 1305 CA LEU A 90 54.841 121.694 69.539 1.00 36.74 C ATOM 1306 C LEU A 90 55.278 123.062 69.008 1.00 35.30 C ATOM 1307 O LEU A 90 54.538 123.721 68.300 1.00 35.10 O ATOM 1308 CB LEU A 90 55.058 120.612 68.480 1.00 38.41 C ATOM 1309 CG LEU A 90 54.807 119.233 69.096 1.00 38.68 C ATOM 1310 CD1 LEU A 90 54.904 118.156 68.009 1.00 37.80 C ATOM 1311 CD2 LEU A 90 55.854 118.960 70.182 1.00 38.08 C ATOM 0 H LEU A 90 52.786 121.918 68.993 1.00 37.85 H new ATOM 0 HA LEU A 90 55.422 121.500 70.441 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.385 120.773 67.638 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.075 120.668 68.091 1.00 38.41 H new ATOM 0 HG LEU A 90 53.810 119.211 69.537 1.00 38.68 H new ATOM 0 HD11 LEU A 90 54.725 117.176 68.451 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.158 118.349 67.238 1.00 37.80 H new ATOM 0 HD13 LEU A 90 55.899 118.177 67.564 1.00 37.80 H new ATOM 0 HD21 LEU A 90 55.676 117.978 70.621 1.00 38.08 H new ATOM 0 HD22 LEU A 90 56.851 118.985 69.741 1.00 38.08 H new ATOM 0 HD23 LEU A 90 55.781 119.723 70.957 1.00 38.08 H new ATOM 1323 N GLU A 91 56.464 123.501 69.347 1.00 0.00 N ATOM 1324 CA GLU A 91 56.940 124.836 68.866 1.00 0.00 C ATOM 1325 C GLU A 91 57.487 124.743 67.437 1.00 0.00 C ATOM 1326 O GLU A 91 57.485 125.715 66.706 1.00 0.00 O ATOM 1327 CB GLU A 91 58.054 125.235 69.834 1.00 0.00 C ATOM 1328 CG GLU A 91 57.486 125.345 71.253 1.00 0.00 C ATOM 1329 CD GLU A 91 58.594 125.746 72.236 1.00 0.00 C ATOM 1330 OE1 GLU A 91 59.757 125.556 71.910 1.00 0.00 O ATOM 1331 OE2 GLU A 91 58.259 126.232 73.304 1.00 0.00 O ATOM 0 H GLU A 91 57.124 122.993 69.936 1.00 0.00 H new ATOM 0 HA GLU A 91 56.130 125.566 68.842 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.854 124.496 69.808 1.00 0.00 H new ATOM 0 HB3 GLU A 91 58.490 126.187 69.531 1.00 0.00 H new ATOM 0 HG2 GLU A 91 56.684 126.083 71.276 1.00 0.00 H new ATOM 0 HG3 GLU A 91 57.050 124.392 71.553 1.00 0.00 H new ATOM 1338 N THR A 92 57.963 123.589 67.035 1.00 31.63 N ATOM 1339 CA THR A 92 58.519 123.451 65.652 1.00 28.98 C ATOM 1340 C THR A 92 57.802 122.330 64.890 1.00 28.33 C ATOM 1341 O THR A 92 57.039 121.571 65.455 1.00 29.20 O ATOM 1342 CB THR A 92 60.000 123.122 65.853 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.581 124.082 66.725 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.725 123.150 64.507 1.00 25.50 C ATOM 0 H THR A 92 57.991 122.741 67.601 1.00 31.63 H new ATOM 0 HA THR A 92 58.383 124.356 65.060 1.00 28.98 H new ATOM 0 HB THR A 92 60.093 122.127 66.289 1.00 29.53 H new ATOM 0 HG1 THR A 92 61.529 123.873 66.857 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.779 122.915 64.656 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.280 122.413 63.839 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.634 124.142 64.065 1.00 25.50 H new ATOM 1352 N GLU A 93 58.035 122.239 63.604 1.00 0.00 N ATOM 1353 CA GLU A 93 57.362 121.187 62.780 1.00 0.00 C ATOM 1354 C GLU A 93 58.143 119.864 62.804 1.00 0.00 C ATOM 1355 O GLU A 93 57.852 118.964 62.038 1.00 0.00 O ATOM 1356 CB GLU A 93 57.348 121.754 61.361 1.00 0.00 C ATOM 1357 CG GLU A 93 56.440 122.982 61.309 1.00 0.00 C ATOM 1358 CD GLU A 93 56.427 123.549 59.888 1.00 0.00 C ATOM 1359 OE1 GLU A 93 57.340 124.287 59.557 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.504 123.234 59.155 1.00 0.00 O ATOM 0 H GLU A 93 58.666 122.851 63.087 1.00 0.00 H new ATOM 0 HA GLU A 93 56.365 120.963 63.160 1.00 0.00 H new ATOM 0 HB2 GLU A 93 58.359 122.024 61.056 1.00 0.00 H new ATOM 0 HB3 GLU A 93 56.995 120.998 60.660 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.429 122.712 61.613 1.00 0.00 H new ATOM 0 HG3 GLU A 93 56.793 123.738 62.010 1.00 0.00 H new ATOM 1367 N GLN A 94 59.121 119.730 63.669 1.00 0.00 N ATOM 1368 CA GLN A 94 59.897 118.455 63.720 1.00 0.00 C ATOM 1369 C GLN A 94 60.205 118.092 65.174 1.00 0.00 C ATOM 1370 O GLN A 94 60.430 118.970 65.989 1.00 0.00 O ATOM 1371 CB GLN A 94 61.189 118.749 62.958 1.00 0.00 C ATOM 1372 CG GLN A 94 60.880 118.905 61.468 1.00 0.00 C ATOM 1373 CD GLN A 94 62.172 119.200 60.705 1.00 0.00 C ATOM 1374 OE1 GLN A 94 63.009 119.947 61.171 1.00 0.00 O ATOM 1375 NE2 GLN A 94 62.370 118.642 59.542 1.00 0.00 N ATOM 0 H GLN A 94 59.412 120.444 64.336 1.00 0.00 H new ATOM 0 HA GLN A 94 59.351 117.617 63.287 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.651 119.659 63.341 1.00 0.00 H new ATOM 0 HB3 GLN A 94 61.904 117.941 63.109 1.00 0.00 H new ATOM 0 HG2 GLN A 94 60.419 117.995 61.085 1.00 0.00 H new ATOM 0 HG3 GLN A 94 60.164 119.713 61.317 1.00 0.00 H new ATOM 0 HE21 GLN A 94 61.667 118.015 59.151 1.00 0.00 H new ATOM 0 HE22 GLN A 94 63.228 118.833 59.024 1.00 0.00 H new ATOM 1384 N GLY A 95 60.227 116.823 65.519 1.00 27.89 N ATOM 1385 CA GLY A 95 60.534 116.469 66.939 1.00 28.05 C ATOM 1386 C GLY A 95 60.461 114.960 67.191 1.00 27.70 C ATOM 1387 O GLY A 95 59.801 114.219 66.491 1.00 25.89 O ATOM 0 H GLY A 95 60.050 116.037 64.894 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.531 116.830 67.194 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.832 116.980 67.598 1.00 28.05 H new ATOM 1391 N GLN A 96 61.143 114.523 68.220 1.00 0.00 N ATOM 1392 CA GLN A 96 61.146 113.074 68.592 1.00 0.00 C ATOM 1393 C GLN A 96 60.529 112.914 69.986 1.00 0.00 C ATOM 1394 O GLN A 96 60.909 113.604 70.914 1.00 0.00 O ATOM 1395 CB GLN A 96 62.625 112.665 68.638 1.00 0.00 C ATOM 1396 CG GLN A 96 63.311 113.004 67.311 1.00 0.00 C ATOM 1397 CD GLN A 96 64.557 112.132 67.143 1.00 0.00 C ATOM 1398 OE1 GLN A 96 65.280 111.895 68.090 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.838 111.638 65.967 1.00 0.00 N ATOM 0 H GLN A 96 61.706 115.118 68.827 1.00 0.00 H new ATOM 0 HA GLN A 96 60.577 112.466 67.889 1.00 0.00 H new ATOM 0 HB2 GLN A 96 63.127 113.181 69.457 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.708 111.596 68.836 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.624 112.838 66.481 1.00 0.00 H new ATOM 0 HG3 GLN A 96 63.587 114.058 67.291 1.00 0.00 H new ATOM 0 HE21 GLN A 96 64.231 111.837 65.172 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.665 111.053 65.844 1.00 0.00 H new ATOM 1408 N MET A 97 59.575 112.030 70.141 1.00 0.00 N ATOM 1409 CA MET A 97 58.934 111.857 71.481 1.00 0.00 C ATOM 1410 C MET A 97 58.980 110.396 71.939 1.00 0.00 C ATOM 1411 O MET A 97 58.397 109.524 71.324 1.00 0.00 O ATOM 1412 CB MET A 97 57.485 112.299 71.274 1.00 0.00 C ATOM 1413 CG MET A 97 57.443 113.804 71.003 1.00 0.00 C ATOM 1414 SD MET A 97 55.734 114.313 70.687 1.00 0.00 S ATOM 1415 CE MET A 97 55.111 114.076 72.369 1.00 0.00 C ATOM 0 H MET A 97 59.214 111.425 69.404 1.00 0.00 H new ATOM 0 HA MET A 97 59.448 112.434 72.250 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.044 111.756 70.438 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.892 112.061 72.157 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.844 114.349 71.857 1.00 0.00 H new ATOM 0 HG3 MET A 97 58.071 114.048 70.146 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.064 113.775 72.330 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.693 113.301 72.867 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.200 115.009 72.925 1.00 0.00 H new ATOM 1425 N GLN A 98 59.649 110.129 73.033 1.00 0.00 N ATOM 1426 CA GLN A 98 59.724 108.739 73.574 1.00 0.00 C ATOM 1427 C GLN A 98 59.271 108.779 75.034 1.00 0.00 C ATOM 1428 O GLN A 98 59.453 109.782 75.702 1.00 0.00 O ATOM 1429 CB GLN A 98 61.203 108.357 73.482 1.00 0.00 C ATOM 1430 CG GLN A 98 61.376 106.886 73.867 1.00 0.00 C ATOM 1431 CD GLN A 98 62.854 106.502 73.774 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.615 107.126 73.062 1.00 0.00 O ATOM 1433 NE2 GLN A 98 63.297 105.491 74.472 1.00 0.00 N ATOM 0 H GLN A 98 60.153 110.826 73.581 1.00 0.00 H new ATOM 0 HA GLN A 98 59.099 108.026 73.037 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.570 108.524 72.469 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.795 108.989 74.144 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.009 106.719 74.880 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.783 106.254 73.205 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.659 104.966 75.070 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.281 105.226 74.419 1.00 0.00 H new ATOM 1442 N GLY A 99 58.673 107.725 75.543 1.00 29.62 N ATOM 1443 CA GLY A 99 58.213 107.774 76.969 1.00 28.62 C ATOM 1444 C GLY A 99 58.114 106.372 77.562 1.00 28.62 C ATOM 1445 O GLY A 99 58.402 105.386 76.912 1.00 29.22 O ATOM 0 H GLY A 99 58.487 106.853 75.047 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.907 108.373 77.558 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.242 108.265 77.024 1.00 28.62 H new ATOM 1449 N HIS A 100 57.699 106.284 78.802 1.00 0.00 N ATOM 1450 CA HIS A 100 57.562 104.953 79.457 1.00 0.00 C ATOM 1451 C HIS A 100 56.250 104.906 80.252 1.00 0.00 C ATOM 1452 O HIS A 100 55.721 105.928 80.648 1.00 0.00 O ATOM 1453 CB HIS A 100 58.773 104.837 80.384 1.00 0.00 C ATOM 1454 CG HIS A 100 59.342 103.446 80.320 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.655 103.203 79.952 1.00 0.00 N ATOM 1456 CD2 HIS A 100 58.792 102.218 80.584 1.00 0.00 C ATOM 1457 CE1 HIS A 100 60.851 101.873 80.005 1.00 0.00 C ATOM 1458 NE2 HIS A 100 59.747 101.224 80.385 1.00 0.00 N ATOM 0 H HIS A 100 57.449 107.081 79.388 1.00 0.00 H new ATOM 0 HA HIS A 100 57.532 104.131 78.742 1.00 0.00 H new ATOM 0 HB2 HIS A 100 59.533 105.563 80.095 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.481 105.072 81.408 1.00 0.00 H new ATOM 0 HD1 HIS A 100 61.347 103.904 79.689 1.00 0.00 H new ATOM 0 HD2 HIS A 100 57.773 102.047 80.898 1.00 0.00 H new ATOM 0 HE1 HIS A 100 61.787 101.389 79.769 1.00 0.00 H new ATOM 1466 N TYR A 101 55.721 103.731 80.481 1.00 25.77 N ATOM 1467 CA TYR A 101 54.439 103.617 81.246 1.00 25.79 C ATOM 1468 C TYR A 101 54.662 102.821 82.533 1.00 26.52 C ATOM 1469 O TYR A 101 55.140 101.705 82.494 1.00 27.05 O ATOM 1470 CB TYR A 101 53.482 102.853 80.324 1.00 24.67 C ATOM 1471 CG TYR A 101 52.850 103.776 79.299 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.369 105.043 79.668 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.741 103.351 77.969 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.781 105.875 78.707 1.00 23.58 C ATOM 1475 CE2 TYR A 101 52.155 104.185 77.011 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.676 105.446 77.379 1.00 23.58 C ATOM 1477 OH TYR A 101 51.096 106.265 76.432 1.00 25.91 O ATOM 0 H TYR A 101 56.120 102.845 80.172 1.00 25.77 H new ATOM 0 HA TYR A 101 54.047 104.595 81.527 1.00 25.79 H new ATOM 0 HB2 TYR A 101 54.023 102.056 79.814 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.702 102.378 80.919 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.453 105.375 80.692 1.00 20.31 H new ATOM 0 HD2 TYR A 101 53.110 102.377 77.682 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.408 106.848 78.991 1.00 23.58 H new ATOM 0 HE2 TYR A 101 52.072 103.855 75.986 1.00 24.17 H new ATOM 0 HH TYR A 101 51.762 106.901 76.098 1.00 25.91 H new ATOM 1487 N ASP A 102 54.281 103.355 83.667 1.00 0.00 N ATOM 1488 CA ASP A 102 54.434 102.586 84.938 1.00 0.00 C ATOM 1489 C ASP A 102 53.210 101.686 85.119 1.00 0.00 C ATOM 1490 O ASP A 102 52.084 102.144 85.176 1.00 0.00 O ATOM 1491 CB ASP A 102 54.535 103.628 86.054 1.00 0.00 C ATOM 1492 CG ASP A 102 55.873 104.365 85.948 1.00 0.00 C ATOM 1493 OD1 ASP A 102 56.841 103.744 85.537 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.907 105.538 86.282 1.00 0.00 O ATOM 0 H ASP A 102 53.873 104.285 83.766 1.00 0.00 H new ATOM 0 HA ASP A 102 55.316 101.945 84.942 1.00 0.00 H new ATOM 0 HB2 ASP A 102 53.711 104.337 85.979 1.00 0.00 H new ATOM 0 HB3 ASP A 102 54.451 103.143 87.027 1.00 0.00 H new ATOM 1499 N MET A 103 53.439 100.403 85.192 1.00 0.00 N ATOM 1500 CA MET A 103 52.321 99.429 85.349 1.00 0.00 C ATOM 1501 C MET A 103 52.540 98.561 86.590 1.00 0.00 C ATOM 1502 O MET A 103 53.644 98.449 87.093 1.00 0.00 O ATOM 1503 CB MET A 103 52.390 98.571 84.085 1.00 0.00 C ATOM 1504 CG MET A 103 51.007 98.003 83.768 1.00 0.00 C ATOM 1505 SD MET A 103 50.051 99.226 82.836 1.00 0.00 S ATOM 1506 CE MET A 103 51.104 99.266 81.365 1.00 0.00 C ATOM 0 H MET A 103 54.367 99.982 85.149 1.00 0.00 H new ATOM 0 HA MET A 103 51.355 99.918 85.473 1.00 0.00 H new ATOM 0 HB2 MET A 103 52.748 99.170 83.247 1.00 0.00 H new ATOM 0 HB3 MET A 103 53.103 97.759 84.224 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.103 97.084 83.190 1.00 0.00 H new ATOM 0 HG3 MET A 103 50.487 97.746 84.691 1.00 0.00 H new ATOM 0 HE1 MET A 103 50.483 99.376 80.476 1.00 0.00 H new ATOM 0 HE2 MET A 103 51.793 100.108 81.433 1.00 0.00 H new ATOM 0 HE3 MET A 103 51.671 98.338 81.298 1.00 0.00 H new ATOM 1516 N VAL A 104 51.496 97.944 87.081 1.00 21.01 N ATOM 1517 CA VAL A 104 51.635 97.075 88.292 1.00 21.69 C ATOM 1518 C VAL A 104 50.769 95.820 88.144 1.00 22.60 C ATOM 1519 O VAL A 104 49.594 95.901 87.837 1.00 22.32 O ATOM 1520 CB VAL A 104 51.143 97.918 89.481 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.178 98.994 89.806 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.794 98.577 89.160 1.00 23.28 C ATOM 0 H VAL A 104 50.553 98.003 86.697 1.00 21.01 H new ATOM 0 HA VAL A 104 52.666 96.749 88.432 1.00 21.69 H new ATOM 0 HB VAL A 104 51.010 97.263 90.342 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.830 99.591 90.648 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.126 98.521 90.064 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.318 99.638 88.938 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.465 99.168 90.015 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.904 99.226 88.291 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.054 97.806 88.946 1.00 23.28 H new ATOM 1532 N ALA A 105 51.337 94.665 88.373 1.00 0.00 N ATOM 1533 CA ALA A 105 50.549 93.400 88.262 1.00 0.00 C ATOM 1534 C ALA A 105 49.618 93.264 89.468 1.00 0.00 C ATOM 1535 O ALA A 105 49.755 93.974 90.447 1.00 0.00 O ATOM 1536 CB ALA A 105 51.588 92.278 88.259 1.00 0.00 C ATOM 0 H ALA A 105 52.316 94.542 88.633 1.00 0.00 H new ATOM 0 HA ALA A 105 49.927 93.375 87.367 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.083 91.315 88.180 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.260 92.407 87.410 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.162 92.312 89.185 1.00 0.00 H new ATOM 1542 N ASP A 106 48.671 92.362 89.403 1.00 0.00 N ATOM 1543 CA ASP A 106 47.726 92.188 90.549 1.00 0.00 C ATOM 1544 C ASP A 106 48.479 91.680 91.781 1.00 0.00 C ATOM 1545 O ASP A 106 48.099 91.951 92.904 1.00 0.00 O ATOM 1546 CB ASP A 106 46.706 91.148 90.078 1.00 0.00 C ATOM 1547 CG ASP A 106 45.548 91.075 91.075 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.791 91.273 92.255 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.436 90.821 90.643 1.00 0.00 O ATOM 0 H ASP A 106 48.511 91.741 88.610 1.00 0.00 H new ATOM 0 HA ASP A 106 47.247 93.125 90.831 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.331 91.413 89.089 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.183 90.172 89.987 1.00 0.00 H new ATOM 1554 N ASP A 107 49.539 90.937 91.579 1.00 0.00 N ATOM 1555 CA ASP A 107 50.314 90.397 92.741 1.00 0.00 C ATOM 1556 C ASP A 107 51.153 91.499 93.408 1.00 0.00 C ATOM 1557 O ASP A 107 51.757 91.274 94.441 1.00 0.00 O ATOM 1558 CB ASP A 107 51.225 89.321 92.148 1.00 0.00 C ATOM 1559 CG ASP A 107 50.385 88.118 91.711 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.383 87.853 92.356 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.758 87.483 90.739 1.00 0.00 O ATOM 0 H ASP A 107 49.902 90.681 90.661 1.00 0.00 H new ATOM 0 HA ASP A 107 49.654 90.001 93.513 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.772 89.723 91.296 1.00 0.00 H new ATOM 0 HB3 ASP A 107 51.966 89.011 92.885 1.00 0.00 H new ATOM 1566 N GLY A 108 51.198 92.681 92.838 1.00 30.43 N ATOM 1567 CA GLY A 108 51.998 93.780 93.456 1.00 29.11 C ATOM 1568 C GLY A 108 53.348 93.931 92.743 1.00 29.35 C ATOM 1569 O GLY A 108 54.072 94.879 92.987 1.00 30.17 O ATOM 0 H GLY A 108 50.716 92.929 91.974 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.444 94.717 93.399 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.160 93.569 94.513 1.00 29.11 H new ATOM 1573 N THR A 109 53.703 93.014 91.867 1.00 0.00 N ATOM 1574 CA THR A 109 55.018 93.128 91.153 1.00 0.00 C ATOM 1575 C THR A 109 55.089 94.457 90.393 1.00 0.00 C ATOM 1576 O THR A 109 54.142 94.849 89.736 1.00 0.00 O ATOM 1577 CB THR A 109 55.048 91.952 90.175 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.766 90.748 90.875 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.431 91.858 89.530 1.00 0.00 C ATOM 0 H THR A 109 53.143 92.199 91.618 1.00 0.00 H new ATOM 0 HA THR A 109 55.863 93.105 91.841 1.00 0.00 H new ATOM 0 HB THR A 109 54.298 92.105 89.399 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.506 90.052 90.236 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.451 91.020 88.833 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.645 92.782 88.993 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.184 91.705 90.304 1.00 0.00 H new ATOM 1587 N GLU A 110 56.194 95.156 90.481 1.00 0.00 N ATOM 1588 CA GLU A 110 56.306 96.463 89.764 1.00 0.00 C ATOM 1589 C GLU A 110 57.113 96.305 88.472 1.00 0.00 C ATOM 1590 O GLU A 110 58.121 95.625 88.435 1.00 0.00 O ATOM 1591 CB GLU A 110 57.022 97.395 90.742 1.00 0.00 C ATOM 1592 CG GLU A 110 57.123 98.796 90.135 1.00 0.00 C ATOM 1593 CD GLU A 110 57.840 99.727 91.114 1.00 0.00 C ATOM 1594 OE1 GLU A 110 59.055 99.814 91.038 1.00 0.00 O ATOM 1595 OE2 GLU A 110 57.163 100.337 91.926 1.00 0.00 O ATOM 0 H GLU A 110 57.018 94.880 91.015 1.00 0.00 H new ATOM 0 HA GLU A 110 55.331 96.853 89.472 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.479 97.435 91.686 1.00 0.00 H new ATOM 0 HB3 GLU A 110 58.018 97.011 90.963 1.00 0.00 H new ATOM 0 HG2 GLU A 110 57.666 98.756 89.191 1.00 0.00 H new ATOM 0 HG3 GLU A 110 56.127 99.181 89.914 1.00 0.00 H new ATOM 1602 N PHE A 111 56.676 96.943 87.417 1.00 27.41 N ATOM 1603 CA PHE A 111 57.405 96.857 86.117 1.00 27.50 C ATOM 1604 C PHE A 111 56.960 97.999 85.190 1.00 28.03 C ATOM 1605 O PHE A 111 55.813 98.399 85.187 1.00 27.72 O ATOM 1606 CB PHE A 111 57.063 95.471 85.540 1.00 26.12 C ATOM 1607 CG PHE A 111 55.612 95.404 85.109 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.617 95.086 86.039 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.270 95.653 83.774 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.278 95.019 85.636 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.931 95.584 83.370 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.935 95.267 84.302 1.00 23.73 C ATOM 0 H PHE A 111 55.838 97.525 87.401 1.00 27.41 H new ATOM 0 HA PHE A 111 58.484 96.964 86.233 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.709 95.258 84.688 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.259 94.703 86.288 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.882 94.892 87.068 1.00 23.96 H new ATOM 0 HD2 PHE A 111 56.039 95.898 83.056 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.509 94.776 86.355 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.667 95.775 82.340 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.902 95.214 83.991 1.00 23.73 H new ATOM 1622 N ILE A 112 57.875 98.527 84.422 1.00 0.00 N ATOM 1623 CA ILE A 112 57.538 99.658 83.502 1.00 0.00 C ATOM 1624 C ILE A 112 57.354 99.157 82.065 1.00 0.00 C ATOM 1625 O ILE A 112 57.872 98.125 81.684 1.00 0.00 O ATOM 1626 CB ILE A 112 58.725 100.626 83.595 1.00 0.00 C ATOM 1627 CG1 ILE A 112 60.018 99.923 83.165 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.873 101.115 85.037 1.00 0.00 C ATOM 1629 CD1 ILE A 112 61.096 100.969 82.875 1.00 0.00 C ATOM 0 H ILE A 112 58.848 98.223 84.391 1.00 0.00 H new ATOM 0 HA ILE A 112 56.601 100.140 83.781 1.00 0.00 H new ATOM 0 HB ILE A 112 58.542 101.473 82.933 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.355 99.246 83.950 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.837 99.316 82.278 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.716 101.803 85.103 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.961 101.628 85.343 1.00 0.00 H new ATOM 0 HG23 ILE A 112 59.047 100.263 85.694 1.00 0.00 H new ATOM 0 HD11 ILE A 112 62.015 100.469 82.569 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.758 101.628 82.075 1.00 0.00 H new ATOM 0 HD13 ILE A 112 61.284 101.556 83.774 1.00 0.00 H new ATOM 1641 N ALA A 113 56.626 99.895 81.266 1.00 0.00 N ATOM 1642 CA ALA A 113 56.402 99.493 79.846 1.00 0.00 C ATOM 1643 C ALA A 113 56.908 100.607 78.913 1.00 0.00 C ATOM 1644 O ALA A 113 56.234 101.601 78.721 1.00 0.00 O ATOM 1645 CB ALA A 113 54.889 99.321 79.713 1.00 0.00 C ATOM 0 H ALA A 113 56.173 100.767 81.540 1.00 0.00 H new ATOM 0 HA ALA A 113 56.932 98.579 79.578 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.645 99.025 78.693 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.548 98.552 80.406 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.394 100.264 79.945 1.00 0.00 H new ATOM 1651 N PRO A 114 58.091 100.409 78.375 1.00 31.26 N ATOM 1652 CA PRO A 114 58.660 101.453 77.470 1.00 32.26 C ATOM 1653 C PRO A 114 57.747 101.742 76.275 1.00 31.77 C ATOM 1654 O PRO A 114 57.127 100.866 75.706 1.00 33.24 O ATOM 1655 CB PRO A 114 59.982 100.856 76.993 1.00 32.64 C ATOM 1656 CG PRO A 114 59.802 99.386 77.123 1.00 33.31 C ATOM 1657 CD PRO A 114 58.888 99.168 78.295 1.00 32.61 C ATOM 0 HA PRO A 114 58.778 102.406 77.985 1.00 32.26 H new ATOM 0 HB2 PRO A 114 60.195 101.139 75.962 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.817 101.208 77.599 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.373 98.966 76.213 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.760 98.891 77.281 1.00 33.31 H new ATOM 0 HD2 PRO A 114 58.251 98.296 78.146 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.452 98.998 79.212 1.00 32.61 H new ATOM 1665 N ILE A 115 57.695 102.994 75.895 1.00 30.59 N ATOM 1666 CA ILE A 115 56.862 103.420 74.732 1.00 30.04 C ATOM 1667 C ILE A 115 57.787 103.768 73.570 1.00 30.45 C ATOM 1668 O ILE A 115 58.661 104.613 73.693 1.00 30.15 O ATOM 1669 CB ILE A 115 56.100 104.668 75.195 1.00 29.44 C ATOM 1670 CG1 ILE A 115 55.297 104.351 76.461 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.139 105.112 74.089 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.765 105.652 77.066 1.00 28.50 C ATOM 0 H ILE A 115 58.204 103.751 76.351 1.00 30.59 H new ATOM 0 HA ILE A 115 56.174 102.641 74.403 1.00 30.04 H new ATOM 0 HB ILE A 115 56.813 105.464 75.411 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.469 103.683 76.222 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.927 103.832 77.184 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.595 105.999 74.414 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.705 105.344 73.187 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.432 104.310 73.878 1.00 25.80 H new ATOM 0 HD11 ILE A 115 54.194 105.427 77.967 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.601 106.304 77.320 1.00 28.50 H new ATOM 0 HD13 ILE A 115 54.121 106.153 76.343 1.00 28.50 H new ATOM 1684 N ALA A 116 57.604 103.121 72.445 1.00 30.78 N ATOM 1685 CA ALA A 116 58.473 103.386 71.252 1.00 29.78 C ATOM 1686 C ALA A 116 58.554 104.883 70.943 1.00 29.57 C ATOM 1687 O ALA A 116 57.599 105.615 71.123 1.00 28.51 O ATOM 1688 CB ALA A 116 57.798 102.646 70.096 1.00 27.76 C ATOM 0 H ALA A 116 56.884 102.414 72.299 1.00 30.78 H new ATOM 0 HA ALA A 116 59.496 103.051 71.423 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.376 102.792 69.184 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.746 101.582 70.326 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.790 103.036 69.953 1.00 27.76 H new ATOM 1694 N ALA A 117 59.687 105.334 70.475 1.00 0.00 N ATOM 1695 CA ALA A 117 59.846 106.778 70.147 1.00 0.00 C ATOM 1696 C ALA A 117 59.536 107.016 68.669 1.00 0.00 C ATOM 1697 O ALA A 117 60.186 106.472 67.795 1.00 0.00 O ATOM 1698 CB ALA A 117 61.314 107.088 70.441 1.00 0.00 C ATOM 0 H ALA A 117 60.513 104.760 70.305 1.00 0.00 H new ATOM 0 HA ALA A 117 59.171 107.412 70.722 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.515 108.137 70.224 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.525 106.888 71.491 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.950 106.460 69.817 1.00 0.00 H new ATOM 1704 N PHE A 118 58.562 107.839 68.385 1.00 29.64 N ATOM 1705 CA PHE A 118 58.214 108.137 66.965 1.00 29.08 C ATOM 1706 C PHE A 118 58.648 109.566 66.638 1.00 30.66 C ATOM 1707 O PHE A 118 58.982 110.330 67.524 1.00 30.55 O ATOM 1708 CB PHE A 118 56.690 107.973 66.859 1.00 25.73 C ATOM 1709 CG PHE A 118 55.987 108.893 67.832 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.716 110.219 67.471 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.601 108.418 69.091 1.00 22.99 C ATOM 1712 CE1 PHE A 118 55.060 111.068 68.369 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.945 109.269 69.990 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.675 110.593 69.629 1.00 21.66 C ATOM 0 H PHE A 118 57.990 108.320 69.079 1.00 29.64 H new ATOM 0 HA PHE A 118 58.715 107.474 66.259 1.00 29.08 H new ATOM 0 HB2 PHE A 118 56.365 108.193 65.842 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.415 106.939 67.065 1.00 25.73 H new ATOM 0 HD1 PHE A 118 56.013 110.586 66.500 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.809 107.395 69.369 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.850 112.090 68.090 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.648 108.903 70.962 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.170 111.249 70.322 1.00 21.66 H new ATOM 1724 N VAL A 119 58.654 109.935 65.383 1.00 0.00 N ATOM 1725 CA VAL A 119 59.076 111.319 65.017 1.00 0.00 C ATOM 1726 C VAL A 119 57.894 112.106 64.443 1.00 0.00 C ATOM 1727 O VAL A 119 56.963 111.541 63.899 1.00 0.00 O ATOM 1728 CB VAL A 119 60.181 111.134 63.968 1.00 0.00 C ATOM 1729 CG1 VAL A 119 59.632 110.381 62.752 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.702 112.505 63.524 1.00 0.00 C ATOM 0 H VAL A 119 58.386 109.340 64.599 1.00 0.00 H new ATOM 0 HA VAL A 119 59.430 111.885 65.879 1.00 0.00 H new ATOM 0 HB VAL A 119 60.994 110.557 64.409 1.00 0.00 H new ATOM 0 HG11 VAL A 119 60.424 110.255 62.014 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.268 109.402 63.064 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.813 110.949 62.312 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.487 112.372 62.779 1.00 0.00 H new ATOM 0 HG22 VAL A 119 59.885 113.082 63.091 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.106 113.037 64.385 1.00 0.00 H new ATOM 1740 N LEU A 120 57.935 113.405 64.561 1.00 36.62 N ATOM 1741 CA LEU A 120 56.829 114.250 64.026 1.00 37.66 C ATOM 1742 C LEU A 120 57.354 115.099 62.869 1.00 38.64 C ATOM 1743 O LEU A 120 58.402 115.707 62.966 1.00 37.83 O ATOM 1744 CB LEU A 120 56.380 115.148 65.187 1.00 38.14 C ATOM 1745 CG LEU A 120 55.651 114.320 66.257 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.651 113.456 67.031 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.938 115.265 67.227 1.00 37.30 C ATOM 0 H LEU A 120 58.693 113.921 65.008 1.00 36.62 H new ATOM 0 HA LEU A 120 56.000 113.650 63.652 1.00 37.66 H new ATOM 0 HB2 LEU A 120 57.246 115.642 65.628 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.721 115.932 64.814 1.00 38.14 H new ATOM 0 HG LEU A 120 54.924 113.669 65.770 1.00 37.94 H new ATOM 0 HD11 LEU A 120 56.122 112.875 67.786 1.00 39.15 H new ATOM 0 HD12 LEU A 120 57.158 112.780 66.342 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.386 114.097 67.517 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.419 114.682 67.988 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.670 115.916 67.705 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.216 115.871 66.680 1.00 37.30 H new ATOM 1759 N SER A 121 56.636 115.137 61.775 1.00 0.00 N ATOM 1760 CA SER A 121 57.087 115.942 60.600 1.00 0.00 C ATOM 1761 C SER A 121 55.882 116.351 59.750 1.00 0.00 C ATOM 1762 O SER A 121 55.163 117.274 60.079 1.00 0.00 O ATOM 1763 CB SER A 121 58.008 115.011 59.813 1.00 0.00 C ATOM 1764 OG SER A 121 59.162 114.722 60.592 1.00 0.00 O ATOM 0 H SER A 121 55.753 114.643 61.645 1.00 0.00 H new ATOM 0 HA SER A 121 57.594 116.860 60.896 1.00 0.00 H new ATOM 0 HB2 SER A 121 57.484 114.089 59.563 1.00 0.00 H new ATOM 0 HB3 SER A 121 58.298 115.478 58.872 1.00 0.00 H new ATOM 0 HG SER A 121 59.205 115.337 61.354 1.00 0.00 H new