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 61:sc= 0.938 USER MOD Set 1.2: A 86 SER OG : rot -107:sc= 0.917! USER MOD Set 2.1: A 84 TYR OH : rot 130:sc= -0.95 USER MOD Set 2.2: A 101 TYR OH : rot -59:sc= 0.0562 USER MOD Set 3.1: A 55 THR OG1 : rot -45:sc= 0.0617 USER MOD Set 3.2: A 61 THR OG1 : rot 15:sc= 1.19 USER MOD Set 4.1: A 7 TYR OH : rot 34:sc= 0.827 USER MOD Set 4.2: A 109 THR OG1 : rot 156:sc= 0.993 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 21 GLN : amide:sc= -1.54! C(o=-1.5!,f=-2.9!) USER MOD Single : A 22 SER OG : rot -3:sc= -1.34 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 120:sc= 1.23 USER MOD Single : A 34 SER OG : rot -160:sc= 0.502 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.945 F(o=-2.5,f=-0.95) USER MOD Single : A 51 HIS : no HE2:sc= -0.383 K(o=-0.38,f=-1.8!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 58 ASN : amide:sc= -0.912 X(o=-0.91,f=-0.94) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-7.9!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 152:sc= 0.955 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 97 MET CE :methyl 142:sc= -0.0453 (180deg=-2.14!) USER MOD Single : A 98 GLN : amide:sc= -0.0623 K(o=-0.062,f=-0.6) USER MOD Single : A 100 HIS : no HD1:sc= -4.62 X(o=-4.6,f=-5!) USER MOD Single : A 103 MET CE :methyl 135:sc=-0.00379 (180deg=-0.216) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.669 86.555 82.538 1.00 0.00 N ATOM 2 CA ARG A 6 54.215 86.869 82.424 1.00 0.00 C ATOM 3 C ARG A 6 53.986 88.386 82.418 1.00 0.00 C ATOM 4 O ARG A 6 52.893 88.856 82.696 1.00 0.00 O ATOM 5 CB ARG A 6 53.583 86.241 83.667 1.00 0.00 C ATOM 6 CG ARG A 6 53.626 84.716 83.547 1.00 0.00 C ATOM 7 CD ARG A 6 52.993 84.086 84.790 1.00 0.00 C ATOM 8 NE ARG A 6 53.201 82.622 84.627 1.00 0.00 N ATOM 9 CZ ARG A 6 53.431 81.875 85.673 1.00 0.00 C ATOM 10 NH1 ARG A 6 54.603 81.901 86.247 1.00 0.00 N ATOM 11 NH2 ARG A 6 52.490 81.103 86.144 1.00 0.00 N ATOM 0 HA ARG A 6 53.785 86.485 81.499 1.00 0.00 H new ATOM 0 HB2 ARG A 6 54.118 86.561 84.561 1.00 0.00 H new ATOM 0 HB3 ARG A 6 52.552 86.579 83.774 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.092 84.396 82.652 1.00 0.00 H new ATOM 0 HG3 ARG A 6 54.657 84.378 83.440 1.00 0.00 H new ATOM 0 HD2 ARG A 6 53.464 84.453 85.702 1.00 0.00 H new ATOM 0 HD3 ARG A 6 51.933 84.329 84.859 1.00 0.00 H new ATOM 0 HE ARG A 6 53.164 82.202 83.698 1.00 0.00 H new ATOM 0 HH11 ARG A 6 55.338 82.504 85.878 1.00 0.00 H new ATOM 0 HH12 ARG A 6 54.784 81.318 87.064 1.00 0.00 H new ATOM 0 HH21 ARG A 6 51.574 81.083 85.695 1.00 0.00 H new ATOM 0 HH22 ARG A 6 52.670 80.520 86.961 1.00 0.00 H new ATOM 25 N TYR A 7 55.008 89.155 82.111 1.00 31.93 N ATOM 26 CA TYR A 7 54.861 90.643 82.092 1.00 29.59 C ATOM 27 C TYR A 7 55.190 91.190 80.697 1.00 29.68 C ATOM 28 O TYR A 7 56.339 91.383 80.349 1.00 30.50 O ATOM 29 CB TYR A 7 55.873 91.162 83.120 1.00 27.35 C ATOM 30 CG TYR A 7 55.581 90.565 84.478 1.00 25.69 C ATOM 31 CD1 TYR A 7 54.605 91.137 85.301 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.290 89.438 84.912 1.00 23.48 C ATOM 33 CE1 TYR A 7 54.337 90.582 86.558 1.00 22.01 C ATOM 34 CE2 TYR A 7 56.022 88.883 86.169 1.00 22.47 C ATOM 35 CZ TYR A 7 55.046 89.455 86.992 1.00 22.87 C ATOM 36 OH TYR A 7 54.782 88.908 88.231 1.00 25.71 O ATOM 0 H TYR A 7 55.938 88.812 81.873 1.00 31.93 H new ATOM 0 HA TYR A 7 53.844 90.957 82.328 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.885 90.903 82.809 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.825 92.250 83.173 1.00 27.35 H new ATOM 0 HD1 TYR A 7 54.058 92.006 84.967 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.044 88.997 84.277 1.00 23.48 H new ATOM 0 HE1 TYR A 7 53.583 91.023 87.193 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.569 88.014 86.503 1.00 22.47 H new ATOM 0 HH TYR A 7 53.829 89.009 88.437 1.00 25.71 H new ATOM 46 N ARG A 8 54.183 91.441 79.904 1.00 0.00 N ATOM 47 CA ARG A 8 54.403 91.979 78.526 1.00 0.00 C ATOM 48 C ARG A 8 53.306 92.989 78.184 1.00 0.00 C ATOM 49 O ARG A 8 52.139 92.767 78.434 1.00 0.00 O ATOM 50 CB ARG A 8 54.325 90.762 77.604 1.00 0.00 C ATOM 51 CG ARG A 8 55.558 89.880 77.814 1.00 0.00 C ATOM 52 CD ARG A 8 55.497 88.680 76.867 1.00 0.00 C ATOM 53 NE ARG A 8 54.388 87.835 77.389 1.00 0.00 N ATOM 54 CZ ARG A 8 54.656 86.755 78.070 1.00 0.00 C ATOM 55 NH1 ARG A 8 55.530 85.899 77.617 1.00 0.00 N ATOM 56 NH2 ARG A 8 54.050 86.530 79.204 1.00 0.00 N ATOM 0 H ARG A 8 53.205 91.295 80.154 1.00 0.00 H new ATOM 0 HA ARG A 8 55.358 92.496 78.427 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.419 90.193 77.812 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.268 91.084 76.564 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.465 90.456 77.630 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.602 89.538 78.848 1.00 0.00 H new ATOM 0 HD2 ARG A 8 55.304 88.996 75.842 1.00 0.00 H new ATOM 0 HD3 ARG A 8 56.440 88.134 76.860 1.00 0.00 H new ATOM 0 HE ARG A 8 53.419 88.100 77.214 1.00 0.00 H new ATOM 0 HH11 ARG A 8 56.004 86.074 76.731 1.00 0.00 H new ATOM 0 HH12 ARG A 8 55.740 85.054 78.149 1.00 0.00 H new ATOM 0 HH21 ARG A 8 53.366 87.199 79.558 1.00 0.00 H new ATOM 0 HH22 ARG A 8 54.260 85.685 79.736 1.00 0.00 H new ATOM 70 N VAL A 9 53.687 94.107 77.619 1.00 0.00 N ATOM 71 CA VAL A 9 52.694 95.164 77.254 1.00 0.00 C ATOM 72 C VAL A 9 53.212 95.972 76.058 1.00 0.00 C ATOM 73 O VAL A 9 54.217 96.651 76.135 1.00 0.00 O ATOM 74 CB VAL A 9 52.575 96.058 78.496 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.586 97.195 78.225 1.00 0.00 C ATOM 76 CG2 VAL A 9 52.074 95.231 79.682 1.00 0.00 C ATOM 0 H VAL A 9 54.655 94.335 77.392 1.00 0.00 H new ATOM 0 HA VAL A 9 51.729 94.744 76.969 1.00 0.00 H new ATOM 0 HB VAL A 9 53.556 96.474 78.727 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.506 97.826 79.110 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.940 97.792 77.384 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.608 96.777 77.987 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.991 95.869 80.562 1.00 0.00 H new ATOM 0 HG22 VAL A 9 51.097 94.810 79.445 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.777 94.423 79.885 1.00 0.00 H new ATOM 86 N GLU A 10 52.505 95.916 74.960 1.00 0.00 N ATOM 87 CA GLU A 10 52.895 96.683 73.739 1.00 0.00 C ATOM 88 C GLU A 10 51.947 97.870 73.551 1.00 0.00 C ATOM 89 O GLU A 10 50.739 97.723 73.550 1.00 0.00 O ATOM 90 CB GLU A 10 52.737 95.688 72.587 1.00 0.00 C ATOM 91 CG GLU A 10 53.161 96.352 71.273 1.00 0.00 C ATOM 92 CD GLU A 10 53.007 95.364 70.109 1.00 0.00 C ATOM 93 OE1 GLU A 10 52.959 94.169 70.363 1.00 0.00 O ATOM 94 OE2 GLU A 10 52.939 95.821 68.979 1.00 0.00 O ATOM 0 H GLU A 10 51.656 95.360 74.856 1.00 0.00 H new ATOM 0 HA GLU A 10 53.907 97.083 73.799 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.345 94.803 72.772 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.701 95.355 72.520 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.552 97.238 71.091 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.196 96.685 71.343 1.00 0.00 H new ATOM 101 N VAL A 11 52.498 99.047 73.394 1.00 26.88 N ATOM 102 CA VAL A 11 51.650 100.263 73.208 1.00 26.83 C ATOM 103 C VAL A 11 51.987 100.936 71.871 1.00 27.58 C ATOM 104 O VAL A 11 53.143 101.091 71.525 1.00 28.21 O ATOM 105 CB VAL A 11 52.011 101.185 74.379 1.00 26.28 C ATOM 106 CG1 VAL A 11 51.194 102.481 74.294 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.704 100.475 75.703 1.00 25.75 C ATOM 0 H VAL A 11 53.503 99.218 73.387 1.00 26.88 H new ATOM 0 HA VAL A 11 50.586 100.028 73.191 1.00 26.83 H new ATOM 0 HB VAL A 11 53.073 101.426 74.330 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.455 103.131 75.129 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.414 102.989 73.355 1.00 26.50 H new ATOM 0 HG13 VAL A 11 50.131 102.244 74.337 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.961 101.130 76.535 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.643 100.231 75.747 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.290 99.558 75.769 1.00 25.75 H new ATOM 117 N GLU A 12 50.993 101.346 71.126 1.00 0.00 N ATOM 118 CA GLU A 12 51.257 102.021 69.819 1.00 0.00 C ATOM 119 C GLU A 12 50.519 103.366 69.768 1.00 0.00 C ATOM 120 O GLU A 12 49.382 103.479 70.183 1.00 0.00 O ATOM 121 CB GLU A 12 50.732 101.056 68.746 1.00 0.00 C ATOM 122 CG GLU A 12 49.231 100.821 68.932 1.00 0.00 C ATOM 123 CD GLU A 12 48.741 99.811 67.892 1.00 0.00 C ATOM 124 OE1 GLU A 12 48.615 100.191 66.740 1.00 0.00 O ATOM 125 OE2 GLU A 12 48.498 98.676 68.267 1.00 0.00 O ATOM 0 H GLU A 12 50.007 101.242 71.367 1.00 0.00 H new ATOM 0 HA GLU A 12 52.315 102.237 69.668 1.00 0.00 H new ATOM 0 HB2 GLU A 12 50.923 101.466 67.754 1.00 0.00 H new ATOM 0 HB3 GLU A 12 51.266 100.108 68.807 1.00 0.00 H new ATOM 0 HG2 GLU A 12 49.032 100.450 69.937 1.00 0.00 H new ATOM 0 HG3 GLU A 12 48.689 101.761 68.826 1.00 0.00 H new ATOM 132 N VAL A 13 51.172 104.384 69.270 1.00 26.55 N ATOM 133 CA VAL A 13 50.536 105.736 69.191 1.00 26.45 C ATOM 134 C VAL A 13 50.651 106.290 67.768 1.00 27.95 C ATOM 135 O VAL A 13 51.664 106.141 67.111 1.00 27.94 O ATOM 136 CB VAL A 13 51.326 106.604 70.177 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.770 108.031 70.179 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.210 106.013 71.585 1.00 26.97 C ATOM 0 H VAL A 13 52.126 104.338 68.912 1.00 26.55 H new ATOM 0 HA VAL A 13 49.474 105.710 69.435 1.00 26.45 H new ATOM 0 HB VAL A 13 52.372 106.626 69.873 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.337 108.641 70.882 1.00 24.91 H new ATOM 0 HG12 VAL A 13 50.855 108.456 69.179 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.722 108.013 70.477 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.772 106.630 72.286 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.162 105.987 71.883 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.614 105.000 71.589 1.00 26.97 H new ATOM 148 N SER A 14 49.608 106.925 67.292 1.00 0.00 N ATOM 149 CA SER A 14 49.634 107.492 65.911 1.00 0.00 C ATOM 150 C SER A 14 49.326 108.999 65.938 1.00 0.00 C ATOM 151 O SER A 14 48.189 109.391 66.121 1.00 0.00 O ATOM 152 CB SER A 14 48.545 106.735 65.153 1.00 0.00 C ATOM 153 OG SER A 14 48.491 107.208 63.813 1.00 0.00 O ATOM 0 H SER A 14 48.738 107.075 67.803 1.00 0.00 H new ATOM 0 HA SER A 14 50.612 107.382 65.442 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.754 105.665 65.165 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.580 106.877 65.640 1.00 0.00 H new ATOM 0 HG SER A 14 47.794 106.723 63.323 1.00 0.00 H new ATOM 159 N PRO A 15 50.354 109.795 65.749 1.00 28.75 N ATOM 160 CA PRO A 15 50.138 111.271 65.749 1.00 30.20 C ATOM 161 C PRO A 15 49.673 111.752 64.368 1.00 33.00 C ATOM 162 O PRO A 15 49.757 111.043 63.385 1.00 32.76 O ATOM 163 CB PRO A 15 51.507 111.851 66.087 1.00 29.34 C ATOM 164 CG PRO A 15 52.482 110.811 65.655 1.00 29.59 C ATOM 165 CD PRO A 15 51.795 109.479 65.793 1.00 28.91 C ATOM 0 HA PRO A 15 49.367 111.579 66.456 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.677 112.793 65.565 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.596 112.057 67.154 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.794 110.979 64.624 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.381 110.847 66.270 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.077 108.802 64.986 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.065 108.989 66.729 1.00 28.91 H new ATOM 173 N ARG A 16 49.177 112.962 64.306 1.00 34.77 N ATOM 174 CA ARG A 16 48.686 113.529 63.012 1.00 37.64 C ATOM 175 C ARG A 16 48.682 115.062 63.081 1.00 38.99 C ATOM 176 O ARG A 16 48.225 115.656 64.040 1.00 38.96 O ATOM 177 CB ARG A 16 47.264 112.985 62.832 1.00 40.22 C ATOM 178 CG ARG A 16 46.393 113.379 64.028 1.00 43.41 C ATOM 179 CD ARG A 16 44.981 112.818 63.838 1.00 47.90 C ATOM 180 NE ARG A 16 45.140 111.340 63.924 1.00 51.85 N ATOM 181 CZ ARG A 16 44.637 110.687 64.937 1.00 53.88 C ATOM 182 NH1 ARG A 16 43.439 110.976 65.368 1.00 53.27 N ATOM 183 NH2 ARG A 16 45.331 109.747 65.516 1.00 54.10 N ATOM 0 H ARG A 16 49.090 113.589 65.106 1.00 34.77 H new ATOM 0 HA ARG A 16 49.323 113.249 62.173 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.830 113.377 61.912 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.291 111.900 62.734 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.828 112.994 64.951 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.355 114.464 64.122 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.303 113.188 64.607 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.564 113.115 62.876 1.00 47.90 H new ATOM 0 HE ARG A 16 45.642 110.838 63.192 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.897 111.711 64.914 1.00 53.27 H new ATOM 0 HH12 ARG A 16 43.045 110.467 66.159 1.00 53.27 H new ATOM 0 HH21 ARG A 16 46.267 109.522 65.178 1.00 54.10 H new ATOM 0 HH22 ARG A 16 44.938 109.237 66.307 1.00 54.10 H new ATOM 197 N PHE A 17 49.214 115.695 62.068 1.00 0.00 N ATOM 198 CA PHE A 17 49.282 117.193 62.045 1.00 0.00 C ATOM 199 C PHE A 17 47.881 117.813 62.120 1.00 0.00 C ATOM 200 O PHE A 17 46.951 117.350 61.488 1.00 0.00 O ATOM 201 CB PHE A 17 49.943 117.534 60.706 1.00 0.00 C ATOM 202 CG PHE A 17 50.196 119.020 60.625 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.223 119.595 61.383 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.410 119.823 59.791 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.466 120.971 61.306 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.652 121.201 59.715 1.00 0.00 C ATOM 207 CZ PHE A 17 50.680 121.774 60.473 1.00 0.00 C ATOM 0 H PHE A 17 49.609 115.237 61.247 1.00 0.00 H new ATOM 0 HA PHE A 17 49.837 117.585 62.898 1.00 0.00 H new ATOM 0 HB2 PHE A 17 50.882 116.990 60.604 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.302 117.220 59.883 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.829 118.976 62.028 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.617 119.381 59.206 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.260 121.413 61.890 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.045 121.821 59.072 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.866 122.836 60.415 1.00 0.00 H new ATOM 217 N LEU A 18 47.733 118.861 62.890 1.00 0.00 N ATOM 218 CA LEU A 18 46.401 119.534 63.017 1.00 0.00 C ATOM 219 C LEU A 18 46.467 120.960 62.457 1.00 0.00 C ATOM 220 O LEU A 18 46.558 121.932 63.179 1.00 0.00 O ATOM 221 CB LEU A 18 46.090 119.543 64.515 1.00 0.00 C ATOM 222 CG LEU A 18 44.577 119.470 64.727 1.00 0.00 C ATOM 223 CD1 LEU A 18 44.055 118.121 64.229 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.266 119.615 66.218 1.00 0.00 C ATOM 0 H LEU A 18 48.481 119.283 63.440 1.00 0.00 H new ATOM 0 HA LEU A 18 45.625 119.016 62.454 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.577 118.698 65.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 46.488 120.448 64.974 1.00 0.00 H new ATOM 0 HG LEU A 18 44.093 120.274 64.172 1.00 0.00 H new ATOM 0 HD11 LEU A 18 42.977 118.070 64.380 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.278 118.014 63.167 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.538 117.317 64.784 1.00 0.00 H new ATOM 0 HD21 LEU A 18 43.188 119.563 66.372 1.00 0.00 H new ATOM 0 HD22 LEU A 18 44.750 118.810 66.771 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.638 120.575 66.576 1.00 0.00 H new ATOM 236 N ALA A 19 46.395 121.066 61.157 1.00 0.00 N ATOM 237 CA ALA A 19 46.421 122.398 60.473 1.00 0.00 C ATOM 238 C ALA A 19 45.110 123.163 60.685 1.00 0.00 C ATOM 239 O ALA A 19 45.107 124.375 60.789 1.00 0.00 O ATOM 240 CB ALA A 19 46.576 122.063 58.986 1.00 0.00 C ATOM 0 H ALA A 19 46.318 120.269 60.525 1.00 0.00 H new ATOM 0 HA ALA A 19 47.220 123.029 60.862 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.604 122.986 58.406 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.502 121.509 58.832 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.732 121.455 58.660 1.00 0.00 H new ATOM 246 N HIS A 20 43.996 122.474 60.725 1.00 0.00 N ATOM 247 CA HIS A 20 42.687 123.180 60.903 1.00 0.00 C ATOM 248 C HIS A 20 42.578 123.786 62.306 1.00 0.00 C ATOM 249 O HIS A 20 41.868 124.751 62.515 1.00 0.00 O ATOM 250 CB HIS A 20 41.612 122.115 60.685 1.00 0.00 C ATOM 251 CG HIS A 20 41.582 121.721 59.233 1.00 0.00 C ATOM 252 ND1 HIS A 20 42.359 120.688 58.732 1.00 0.00 N ATOM 253 CD2 HIS A 20 40.876 122.213 58.165 1.00 0.00 C ATOM 254 CE1 HIS A 20 42.102 120.592 57.414 1.00 0.00 C ATOM 255 NE2 HIS A 20 41.206 121.499 57.016 1.00 0.00 N ATOM 0 H HIS A 20 43.935 121.459 60.643 1.00 0.00 H new ATOM 0 HA HIS A 20 42.580 124.008 60.202 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.818 121.243 61.305 1.00 0.00 H new ATOM 0 HB3 HIS A 20 40.638 122.499 60.989 1.00 0.00 H new ATOM 0 HD2 HIS A 20 40.171 123.030 58.209 1.00 0.00 H new ATOM 0 HE1 HIS A 20 42.564 119.869 56.758 1.00 0.00 H new ATOM 0 HE2 HIS A 20 40.842 121.639 56.073 1.00 0.00 H new ATOM 263 N GLN A 21 43.274 123.233 63.264 1.00 51.13 N ATOM 264 CA GLN A 21 43.207 123.783 64.652 1.00 51.59 C ATOM 265 C GLN A 21 44.594 124.246 65.108 1.00 51.55 C ATOM 266 O GLN A 21 45.004 123.988 66.225 1.00 51.24 O ATOM 267 CB GLN A 21 42.715 122.622 65.517 1.00 52.27 C ATOM 268 CG GLN A 21 41.249 122.331 65.192 1.00 52.27 C ATOM 269 CD GLN A 21 40.754 121.170 66.057 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.158 120.040 65.866 1.00 52.37 O ATOM 271 NE2 GLN A 21 39.891 121.402 67.007 1.00 51.79 N ATOM 0 H GLN A 21 43.886 122.425 63.147 1.00 51.13 H new ATOM 0 HA GLN A 21 42.548 124.648 64.721 1.00 51.59 H new ATOM 0 HB2 GLN A 21 43.322 121.735 65.334 1.00 52.27 H new ATOM 0 HB3 GLN A 21 42.822 122.870 66.573 1.00 52.27 H new ATOM 0 HG2 GLN A 21 40.642 123.218 65.374 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.142 122.083 64.136 1.00 52.27 H new ATOM 0 HE21 GLN A 21 39.552 122.350 67.167 1.00 51.79 H new ATOM 0 HE22 GLN A 21 39.555 120.635 67.590 1.00 51.79 H new ATOM 280 N SER A 22 45.318 124.924 64.252 1.00 52.26 N ATOM 281 CA SER A 22 46.681 125.401 64.637 1.00 52.76 C ATOM 282 C SER A 22 47.165 126.500 63.686 1.00 51.68 C ATOM 283 O SER A 22 46.821 126.520 62.519 1.00 52.15 O ATOM 284 CB SER A 22 47.576 124.172 64.518 1.00 53.63 C ATOM 285 OG SER A 22 48.870 124.488 65.011 1.00 55.19 O ATOM 0 H SER A 22 45.025 125.167 63.306 1.00 52.26 H new ATOM 0 HA SER A 22 46.691 125.828 65.640 1.00 52.76 H new ATOM 0 HB2 SER A 22 47.151 123.342 65.082 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.638 123.852 63.478 1.00 53.63 H new ATOM 0 HG SER A 22 48.901 125.434 65.266 1.00 55.19 H new ATOM 291 N THR A 23 47.982 127.397 64.176 1.00 0.00 N ATOM 292 CA THR A 23 48.525 128.486 63.306 1.00 0.00 C ATOM 293 C THR A 23 50.062 128.406 63.305 1.00 0.00 C ATOM 294 O THR A 23 50.715 128.928 64.187 1.00 0.00 O ATOM 295 CB THR A 23 48.014 129.811 63.904 1.00 0.00 C ATOM 296 OG1 THR A 23 48.488 130.890 63.111 1.00 0.00 O ATOM 297 CG2 THR A 23 48.497 129.997 65.347 1.00 0.00 C ATOM 0 H THR A 23 48.298 127.423 65.145 1.00 0.00 H new ATOM 0 HA THR A 23 48.200 128.400 62.269 1.00 0.00 H new ATOM 0 HB THR A 23 46.924 129.788 63.910 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.166 131.737 63.484 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.119 130.941 65.738 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.130 129.176 65.962 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.587 130.006 65.368 1.00 0.00 H new ATOM 305 N PRO A 24 50.588 127.714 62.319 1.00 49.88 N ATOM 306 CA PRO A 24 52.071 127.549 62.258 1.00 51.02 C ATOM 307 C PRO A 24 52.786 128.877 61.979 1.00 51.50 C ATOM 308 O PRO A 24 53.956 129.026 62.278 1.00 51.57 O ATOM 309 CB PRO A 24 52.287 126.580 61.098 1.00 51.23 C ATOM 310 CG PRO A 24 51.089 126.748 60.230 1.00 51.05 C ATOM 311 CD PRO A 24 49.946 127.102 61.138 1.00 49.44 C ATOM 0 HA PRO A 24 52.476 127.190 63.204 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.204 126.811 60.555 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.377 125.553 61.453 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.253 127.532 59.491 1.00 51.05 H new ATOM 0 HG3 PRO A 24 50.877 125.831 59.680 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.257 127.796 60.657 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.369 126.219 61.413 1.00 49.44 H new ATOM 319 N ASP A 25 52.107 129.831 61.395 1.00 0.00 N ATOM 320 CA ASP A 25 52.773 131.136 61.082 1.00 0.00 C ATOM 321 C ASP A 25 53.170 131.872 62.369 1.00 0.00 C ATOM 322 O ASP A 25 54.057 132.706 62.358 1.00 0.00 O ATOM 323 CB ASP A 25 51.752 131.942 60.277 1.00 0.00 C ATOM 324 CG ASP A 25 52.457 133.105 59.575 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.395 133.637 60.145 1.00 0.00 O ATOM 326 OD2 ASP A 25 52.044 133.446 58.478 1.00 0.00 O ATOM 0 H ASP A 25 51.126 129.766 61.122 1.00 0.00 H new ATOM 0 HA ASP A 25 53.695 130.990 60.519 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.265 131.301 59.542 1.00 0.00 H new ATOM 0 HB3 ASP A 25 50.971 132.321 60.936 1.00 0.00 H new ATOM 331 N GLU A 26 52.528 131.578 63.473 1.00 0.00 N ATOM 332 CA GLU A 26 52.881 132.272 64.750 1.00 0.00 C ATOM 333 C GLU A 26 53.655 131.332 65.685 1.00 0.00 C ATOM 334 O GLU A 26 53.671 131.518 66.888 1.00 0.00 O ATOM 335 CB GLU A 26 51.541 132.663 65.374 1.00 0.00 C ATOM 336 CG GLU A 26 50.889 133.766 64.534 1.00 0.00 C ATOM 337 CD GLU A 26 49.540 134.168 65.147 1.00 0.00 C ATOM 338 OE1 GLU A 26 48.992 133.385 65.910 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.077 135.253 64.839 1.00 0.00 O ATOM 0 H GLU A 26 51.778 130.890 63.545 1.00 0.00 H new ATOM 0 HA GLU A 26 53.522 133.137 64.578 1.00 0.00 H new ATOM 0 HB2 GLU A 26 50.885 131.794 65.426 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.691 133.010 66.396 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.547 134.633 64.484 1.00 0.00 H new ATOM 0 HG3 GLU A 26 50.743 133.417 63.512 1.00 0.00 H new ATOM 346 N GLY A 27 54.295 130.326 65.142 1.00 0.00 N ATOM 347 CA GLY A 27 55.069 129.370 65.994 1.00 0.00 C ATOM 348 C GLY A 27 54.107 128.554 66.862 1.00 0.00 C ATOM 349 O GLY A 27 54.450 128.122 67.947 1.00 0.00 O ATOM 0 H GLY A 27 54.315 130.125 64.142 1.00 0.00 H new ATOM 0 HA2 GLY A 27 55.660 128.704 65.365 1.00 0.00 H new ATOM 0 HA3 GLY A 27 55.769 129.916 66.626 1.00 0.00 H new ATOM 353 N ARG A 28 52.908 128.344 66.389 1.00 0.00 N ATOM 354 CA ARG A 28 51.910 127.556 67.172 1.00 0.00 C ATOM 355 C ARG A 28 51.461 126.332 66.370 1.00 0.00 C ATOM 356 O ARG A 28 50.542 126.408 65.573 1.00 0.00 O ATOM 357 CB ARG A 28 50.741 128.513 67.398 1.00 0.00 C ATOM 358 CG ARG A 28 51.162 129.610 68.378 1.00 0.00 C ATOM 359 CD ARG A 28 49.992 130.570 68.606 1.00 0.00 C ATOM 360 NE ARG A 28 50.533 131.628 69.504 1.00 0.00 N ATOM 361 CZ ARG A 28 49.721 132.331 70.246 1.00 0.00 C ATOM 362 NH1 ARG A 28 48.814 133.084 69.688 1.00 0.00 N ATOM 363 NH2 ARG A 28 49.818 132.282 71.547 1.00 0.00 N ATOM 0 H ARG A 28 52.574 128.686 65.488 1.00 0.00 H new ATOM 0 HA ARG A 28 52.318 127.186 68.113 1.00 0.00 H new ATOM 0 HB2 ARG A 28 50.431 128.956 66.451 1.00 0.00 H new ATOM 0 HB3 ARG A 28 49.882 127.969 67.792 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.472 129.167 69.324 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.021 130.154 67.984 1.00 0.00 H new ATOM 0 HD2 ARG A 28 49.639 130.993 67.665 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.145 130.059 69.063 1.00 0.00 H new ATOM 0 HE ARG A 28 51.537 131.803 69.539 1.00 0.00 H new ATOM 0 HH11 ARG A 28 48.739 133.124 68.672 1.00 0.00 H new ATOM 0 HH12 ARG A 28 48.180 133.633 70.268 1.00 0.00 H new ATOM 0 HH21 ARG A 28 50.528 131.694 71.984 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.184 132.831 72.127 1.00 0.00 H new ATOM 377 N TYR A 29 52.094 125.204 66.581 1.00 46.07 N ATOM 378 CA TYR A 29 51.698 123.968 65.839 1.00 43.41 C ATOM 379 C TYR A 29 50.935 123.035 66.785 1.00 41.37 C ATOM 380 O TYR A 29 51.342 122.820 67.913 1.00 39.95 O ATOM 381 CB TYR A 29 53.010 123.313 65.386 1.00 43.56 C ATOM 382 CG TYR A 29 53.851 124.302 64.607 1.00 42.53 C ATOM 383 CD1 TYR A 29 54.695 125.187 65.289 1.00 41.55 C ATOM 384 CD2 TYR A 29 53.789 124.332 63.209 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.477 126.101 64.576 1.00 42.67 C ATOM 386 CE2 TYR A 29 54.572 125.249 62.495 1.00 42.98 C ATOM 387 CZ TYR A 29 55.416 126.132 63.178 1.00 43.35 C ATOM 388 OH TYR A 29 56.186 127.034 62.473 1.00 43.13 O ATOM 0 H TYR A 29 52.868 125.086 67.235 1.00 46.07 H new ATOM 0 HA TYR A 29 51.052 124.185 64.988 1.00 43.41 H new ATOM 0 HB2 TYR A 29 53.565 122.958 66.254 1.00 43.56 H new ATOM 0 HB3 TYR A 29 52.795 122.442 64.767 1.00 43.56 H new ATOM 0 HD1 TYR A 29 54.742 125.164 66.368 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.139 123.650 62.682 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.128 126.783 65.104 1.00 42.67 H new ATOM 0 HE2 TYR A 29 54.524 125.274 61.416 1.00 42.98 H new ATOM 0 HH TYR A 29 56.795 126.549 61.877 1.00 43.13 H new ATOM 398 N ALA A 30 49.830 122.492 66.342 1.00 0.00 N ATOM 399 CA ALA A 30 49.039 121.588 67.233 1.00 0.00 C ATOM 400 C ALA A 30 49.045 120.152 66.703 1.00 0.00 C ATOM 401 O ALA A 30 48.581 119.881 65.611 1.00 0.00 O ATOM 402 CB ALA A 30 47.622 122.159 67.229 1.00 0.00 C ATOM 0 H ALA A 30 49.443 122.633 65.409 1.00 0.00 H new ATOM 0 HA ALA A 30 49.459 121.545 68.238 1.00 0.00 H new ATOM 0 HB1 ALA A 30 46.981 121.547 67.863 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.640 123.180 67.610 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.232 122.158 66.211 1.00 0.00 H new ATOM 408 N PHE A 31 49.556 119.230 67.479 1.00 36.58 N ATOM 409 CA PHE A 31 49.584 117.802 67.045 1.00 36.29 C ATOM 410 C PHE A 31 48.687 116.969 67.962 1.00 35.25 C ATOM 411 O PHE A 31 48.765 117.076 69.171 1.00 34.09 O ATOM 412 CB PHE A 31 51.039 117.355 67.199 1.00 36.39 C ATOM 413 CG PHE A 31 51.904 118.030 66.162 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.423 119.306 66.406 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.192 117.375 64.959 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.231 119.928 65.448 1.00 37.40 C ATOM 417 CE2 PHE A 31 52.999 117.997 63.999 1.00 37.25 C ATOM 418 CZ PHE A 31 53.519 119.274 64.244 1.00 36.45 C ATOM 0 H PHE A 31 49.957 119.407 68.400 1.00 36.58 H new ATOM 0 HA PHE A 31 49.227 117.678 66.023 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.399 117.600 68.198 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.108 116.272 67.092 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.200 119.811 67.334 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.792 116.390 64.771 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.633 120.913 65.637 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.220 117.492 63.070 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.142 119.754 63.504 1.00 36.45 H new ATOM 428 N ALA A 32 47.854 116.125 67.408 1.00 34.06 N ATOM 429 CA ALA A 32 46.973 115.266 68.254 1.00 32.35 C ATOM 430 C ALA A 32 47.412 113.810 68.099 1.00 31.25 C ATOM 431 O ALA A 32 47.586 113.333 66.993 1.00 31.96 O ATOM 432 CB ALA A 32 45.563 115.468 67.696 1.00 32.65 C ATOM 0 H ALA A 32 47.746 115.994 66.402 1.00 34.06 H new ATOM 0 HA ALA A 32 47.019 115.518 69.314 1.00 32.35 H new ATOM 0 HB1 ALA A 32 44.856 114.867 68.268 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.289 116.520 67.772 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.538 115.161 66.650 1.00 32.65 H new ATOM 438 N TYR A 33 47.609 113.103 69.184 1.00 29.03 N ATOM 439 CA TYR A 33 48.058 111.681 69.059 1.00 27.15 C ATOM 440 C TYR A 33 47.125 110.736 69.826 1.00 26.72 C ATOM 441 O TYR A 33 46.614 111.073 70.878 1.00 28.24 O ATOM 442 CB TYR A 33 49.490 111.655 69.623 1.00 26.09 C ATOM 443 CG TYR A 33 49.496 111.885 71.119 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.403 113.182 71.636 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.605 110.793 71.987 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.417 113.385 73.020 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.620 110.997 73.372 1.00 25.85 C ATOM 448 CZ TYR A 33 49.526 112.293 73.887 1.00 27.60 C ATOM 449 OH TYR A 33 49.541 112.495 75.252 1.00 28.81 O ATOM 0 H TYR A 33 47.481 113.442 70.138 1.00 29.03 H new ATOM 0 HA TYR A 33 48.034 111.336 68.025 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.954 110.695 69.399 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.090 112.421 69.133 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.320 114.026 70.967 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.678 109.792 71.588 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.344 114.386 73.419 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.704 110.154 74.042 1.00 25.85 H new ATOM 0 HH TYR A 33 48.703 112.920 75.529 1.00 28.81 H new ATOM 459 N SER A 34 46.903 109.557 69.302 1.00 0.00 N ATOM 460 CA SER A 34 46.006 108.582 69.992 1.00 0.00 C ATOM 461 C SER A 34 46.845 107.497 70.675 1.00 0.00 C ATOM 462 O SER A 34 47.814 107.012 70.124 1.00 0.00 O ATOM 463 CB SER A 34 45.140 107.982 68.885 1.00 0.00 C ATOM 464 OG SER A 34 44.744 109.009 67.986 1.00 0.00 O ATOM 0 H SER A 34 47.305 109.228 68.424 1.00 0.00 H new ATOM 0 HA SER A 34 45.398 109.050 70.766 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.695 107.211 68.351 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.261 107.502 69.316 1.00 0.00 H new ATOM 0 HG SER A 34 43.959 108.715 67.478 1.00 0.00 H new ATOM 470 N ILE A 35 46.480 107.130 71.875 1.00 0.00 N ATOM 471 CA ILE A 35 47.251 106.091 72.625 1.00 0.00 C ATOM 472 C ILE A 35 46.512 104.748 72.638 1.00 0.00 C ATOM 473 O ILE A 35 45.342 104.667 72.950 1.00 0.00 O ATOM 474 CB ILE A 35 47.336 106.661 74.051 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.140 107.973 74.029 1.00 0.00 C ATOM 476 CG2 ILE A 35 48.014 105.653 74.994 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.575 107.715 73.546 1.00 0.00 C ATOM 0 H ILE A 35 45.674 107.508 72.373 1.00 0.00 H new ATOM 0 HA ILE A 35 48.225 105.895 72.176 1.00 0.00 H new ATOM 0 HB ILE A 35 46.327 106.854 74.416 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.653 108.694 73.373 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.159 108.412 75.027 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.066 106.073 75.999 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.436 104.729 75.016 1.00 0.00 H new ATOM 0 HG23 ILE A 35 49.022 105.442 74.637 1.00 0.00 H new ATOM 0 HD11 ILE A 35 50.130 108.653 73.536 1.00 0.00 H new ATOM 0 HD12 ILE A 35 50.064 107.011 74.219 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.551 107.298 72.539 1.00 0.00 H new ATOM 489 N ARG A 36 47.214 103.696 72.303 1.00 25.30 N ATOM 490 CA ARG A 36 46.597 102.338 72.288 1.00 25.64 C ATOM 491 C ARG A 36 47.382 101.404 73.212 1.00 23.79 C ATOM 492 O ARG A 36 48.416 100.873 72.851 1.00 25.11 O ATOM 493 CB ARG A 36 46.694 101.871 70.837 1.00 28.66 C ATOM 494 CG ARG A 36 45.710 102.666 69.975 1.00 34.24 C ATOM 495 CD ARG A 36 45.839 102.235 68.511 1.00 37.45 C ATOM 496 NE ARG A 36 45.293 100.850 68.464 1.00 40.12 N ATOM 497 CZ ARG A 36 44.903 100.342 67.327 1.00 40.24 C ATOM 498 NH1 ARG A 36 45.712 100.336 66.304 1.00 39.81 N ATOM 499 NH2 ARG A 36 43.703 99.842 67.213 1.00 39.07 N ATOM 0 H ARG A 36 48.198 103.722 72.037 1.00 25.30 H new ATOM 0 HA ARG A 36 45.565 102.344 72.638 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.710 102.008 70.467 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.472 100.806 70.772 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.691 102.501 70.324 1.00 34.24 H new ATOM 0 HG3 ARG A 36 45.910 103.733 70.069 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.281 102.901 67.853 1.00 37.45 H new ATOM 0 HD3 ARG A 36 46.878 102.260 68.183 1.00 37.45 H new ATOM 0 HE ARG A 36 45.224 100.299 69.320 1.00 40.12 H new ATOM 0 HH11 ARG A 36 46.649 100.728 66.393 1.00 39.81 H new ATOM 0 HH12 ARG A 36 45.407 99.939 65.415 1.00 39.81 H new ATOM 0 HH21 ARG A 36 43.070 99.848 68.013 1.00 39.07 H new ATOM 0 HH22 ARG A 36 43.398 99.445 66.324 1.00 39.07 H new ATOM 513 N ILE A 37 46.892 101.211 74.407 1.00 20.73 N ATOM 514 CA ILE A 37 47.585 100.322 75.388 1.00 18.17 C ATOM 515 C ILE A 37 47.051 98.889 75.281 1.00 17.71 C ATOM 516 O ILE A 37 45.894 98.626 75.548 1.00 15.34 O ATOM 517 CB ILE A 37 47.249 100.919 76.761 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.760 102.362 76.831 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.928 100.096 77.859 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.192 103.048 78.076 1.00 16.07 C ATOM 0 H ILE A 37 46.031 101.636 74.751 1.00 20.73 H new ATOM 0 HA ILE A 37 48.660 100.271 75.212 1.00 18.17 H new ATOM 0 HB ILE A 37 46.169 100.903 76.904 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.849 102.371 76.863 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.463 102.908 75.935 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.688 100.521 78.833 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.572 99.067 77.815 1.00 14.36 H new ATOM 0 HG23 ILE A 37 49.008 100.113 77.711 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.556 104.074 78.124 1.00 16.07 H new ATOM 0 HD12 ILE A 37 46.103 103.052 78.025 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.511 102.507 78.967 1.00 16.07 H new ATOM 532 N GLN A 38 47.897 97.960 74.912 1.00 0.00 N ATOM 533 CA GLN A 38 47.462 96.535 74.807 1.00 0.00 C ATOM 534 C GLN A 38 48.260 95.683 75.798 1.00 0.00 C ATOM 535 O GLN A 38 49.468 95.796 75.902 1.00 0.00 O ATOM 536 CB GLN A 38 47.757 96.122 73.363 1.00 0.00 C ATOM 537 CG GLN A 38 47.311 94.674 73.143 1.00 0.00 C ATOM 538 CD GLN A 38 47.605 94.259 71.699 1.00 0.00 C ATOM 539 OE1 GLN A 38 47.721 95.095 70.825 1.00 0.00 O ATOM 540 NE2 GLN A 38 47.733 92.993 71.412 1.00 0.00 N ATOM 0 H GLN A 38 48.875 98.129 74.678 1.00 0.00 H new ATOM 0 HA GLN A 38 46.407 96.401 75.044 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.235 96.783 72.671 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.823 96.221 73.156 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.833 94.013 73.835 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.245 94.576 73.350 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.636 92.291 72.146 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.931 92.705 70.454 1.00 0.00 H new ATOM 549 N ASN A 39 47.580 94.838 76.532 1.00 15.86 N ATOM 550 CA ASN A 39 48.281 93.977 77.532 1.00 17.88 C ATOM 551 C ASN A 39 48.616 92.612 76.921 1.00 18.37 C ATOM 552 O ASN A 39 47.734 91.855 76.560 1.00 18.69 O ATOM 553 CB ASN A 39 47.304 93.830 78.698 1.00 19.10 C ATOM 554 CG ASN A 39 48.004 93.135 79.867 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.268 91.860 79.792 1.00 20.99 O flip ATOM 556 ND2 ASN A 39 48.316 93.761 80.861 1.00 19.13 N flip ATOM 0 H ASN A 39 46.570 94.708 76.482 1.00 15.86 H new ATOM 0 HA ASN A 39 49.226 94.413 77.856 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.942 94.810 79.008 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.434 93.252 78.386 1.00 19.10 H new ATOM 0 HD21 ASN A 39 48.110 94.758 80.921 1.00 19.13 H new ATOM 0 HD22 ASN A 39 48.784 93.289 81.635 1.00 19.13 H new ATOM 563 N ALA A 40 49.878 92.284 76.820 1.00 0.00 N ATOM 564 CA ALA A 40 50.271 90.957 76.254 1.00 0.00 C ATOM 565 C ALA A 40 50.953 90.094 77.327 1.00 0.00 C ATOM 566 O ALA A 40 51.584 89.100 77.018 1.00 0.00 O ATOM 567 CB ALA A 40 51.238 91.275 75.113 1.00 0.00 C ATOM 0 H ALA A 40 50.656 92.879 77.106 1.00 0.00 H new ATOM 0 HA ALA A 40 49.408 90.391 75.903 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.570 90.347 74.648 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.733 91.893 74.370 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.101 91.813 75.506 1.00 0.00 H new ATOM 573 N GLY A 41 50.827 90.459 78.583 1.00 27.60 N ATOM 574 CA GLY A 41 51.461 89.654 79.668 1.00 28.62 C ATOM 575 C GLY A 41 50.546 88.486 80.028 1.00 29.10 C ATOM 576 O GLY A 41 49.561 88.234 79.356 1.00 28.18 O ATOM 0 H GLY A 41 50.312 91.280 78.899 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.432 89.283 79.341 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.636 90.278 80.545 1.00 28.62 H new ATOM 580 N ALA A 42 50.858 87.771 81.079 1.00 0.00 N ATOM 581 CA ALA A 42 50.000 86.617 81.479 1.00 0.00 C ATOM 582 C ALA A 42 49.101 87.010 82.651 1.00 0.00 C ATOM 583 O ALA A 42 48.005 86.504 82.804 1.00 0.00 O ATOM 584 CB ALA A 42 50.977 85.518 81.898 1.00 0.00 C ATOM 0 H ALA A 42 51.668 87.937 81.676 1.00 0.00 H new ATOM 0 HA ALA A 42 49.346 86.291 80.671 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.419 84.634 82.207 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.622 85.265 81.057 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.587 85.871 82.730 1.00 0.00 H new ATOM 590 N VAL A 43 49.565 87.909 83.475 1.00 0.00 N ATOM 591 CA VAL A 43 48.748 88.349 84.651 1.00 0.00 C ATOM 592 C VAL A 43 48.183 89.758 84.404 1.00 0.00 C ATOM 593 O VAL A 43 48.861 90.610 83.865 1.00 0.00 O ATOM 594 CB VAL A 43 49.723 88.331 85.836 1.00 0.00 C ATOM 595 CG1 VAL A 43 49.023 88.813 87.108 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.232 86.904 86.051 1.00 0.00 C ATOM 0 H VAL A 43 50.475 88.361 83.388 1.00 0.00 H new ATOM 0 HA VAL A 43 47.889 87.704 84.834 1.00 0.00 H new ATOM 0 HB VAL A 43 50.558 88.996 85.617 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.727 88.795 87.940 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.661 89.831 86.961 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.181 88.157 87.331 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.925 86.888 86.892 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.390 86.245 86.262 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.744 86.561 85.152 1.00 0.00 H new ATOM 606 N PRO A 44 46.938 89.951 84.801 1.00 21.08 N ATOM 607 CA PRO A 44 46.301 91.292 84.584 1.00 21.01 C ATOM 608 C PRO A 44 47.156 92.428 85.158 1.00 21.95 C ATOM 609 O PRO A 44 47.810 92.281 86.175 1.00 21.40 O ATOM 610 CB PRO A 44 44.963 91.191 85.315 1.00 20.53 C ATOM 611 CG PRO A 44 45.178 90.129 86.332 1.00 18.90 C ATOM 612 CD PRO A 44 46.087 89.127 85.681 1.00 19.89 C ATOM 0 HA PRO A 44 46.188 91.524 83.525 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.692 92.138 85.781 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.155 90.929 84.631 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.628 90.538 87.237 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.234 89.670 86.625 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.679 88.585 86.418 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.525 88.384 85.115 1.00 19.89 H new ATOM 620 N ALA A 45 47.157 93.555 84.495 1.00 20.91 N ATOM 621 CA ALA A 45 47.968 94.715 84.966 1.00 19.47 C ATOM 622 C ALA A 45 47.217 96.037 84.767 1.00 19.21 C ATOM 623 O ALA A 45 46.393 96.178 83.881 1.00 19.53 O ATOM 624 CB ALA A 45 49.220 94.686 84.090 1.00 18.37 C ATOM 0 H ALA A 45 46.626 93.722 83.640 1.00 20.91 H new ATOM 0 HA ALA A 45 48.192 94.647 86.031 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.878 95.509 84.368 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.742 93.740 84.233 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.934 94.788 83.043 1.00 18.37 H new ATOM 630 N ARG A 46 47.515 97.006 85.592 1.00 0.00 N ATOM 631 CA ARG A 46 46.848 98.336 85.478 1.00 0.00 C ATOM 632 C ARG A 46 47.913 99.435 85.410 1.00 0.00 C ATOM 633 O ARG A 46 49.025 99.253 85.874 1.00 0.00 O ATOM 634 CB ARG A 46 45.999 98.473 86.749 1.00 0.00 C ATOM 635 CG ARG A 46 46.890 98.392 87.993 1.00 0.00 C ATOM 636 CD ARG A 46 46.029 98.555 89.249 1.00 0.00 C ATOM 637 NE ARG A 46 46.995 98.549 90.381 1.00 0.00 N ATOM 638 CZ ARG A 46 46.748 99.250 91.453 1.00 0.00 C ATOM 639 NH1 ARG A 46 46.433 100.512 91.350 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.816 98.690 92.630 1.00 0.00 N ATOM 0 H ARG A 46 48.198 96.932 86.346 1.00 0.00 H new ATOM 0 HA ARG A 46 46.234 98.424 84.582 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.464 99.423 86.737 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.247 97.684 86.779 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.411 97.435 88.018 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.653 99.170 87.958 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.461 99.485 89.220 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.308 97.743 89.341 1.00 0.00 H new ATOM 0 HE ARG A 46 47.850 97.997 90.319 1.00 0.00 H new ATOM 0 HH11 ARG A 46 46.380 100.951 90.431 1.00 0.00 H new ATOM 0 HH12 ARG A 46 46.240 101.060 92.189 1.00 0.00 H new ATOM 0 HH21 ARG A 46 47.062 97.704 92.712 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.623 99.239 93.468 1.00 0.00 H new ATOM 654 N LEU A 47 47.590 100.569 84.840 1.00 0.00 N ATOM 655 CA LEU A 47 48.598 101.669 84.747 1.00 0.00 C ATOM 656 C LEU A 47 48.434 102.622 85.931 1.00 0.00 C ATOM 657 O LEU A 47 47.396 103.233 86.108 1.00 0.00 O ATOM 658 CB LEU A 47 48.288 102.385 83.430 1.00 0.00 C ATOM 659 CG LEU A 47 49.467 103.283 83.045 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.361 103.657 81.566 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.443 104.556 83.894 1.00 0.00 C ATOM 0 H LEU A 47 46.677 100.780 84.437 1.00 0.00 H new ATOM 0 HA LEU A 47 49.623 101.299 84.772 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.101 101.655 82.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.382 102.982 83.533 1.00 0.00 H new ATOM 0 HG LEU A 47 50.400 102.748 83.221 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.200 104.296 81.291 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.381 102.752 80.959 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.426 104.190 81.392 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.283 105.193 83.618 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.509 105.091 83.721 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.519 104.291 84.949 1.00 0.00 H new ATOM 673 N VAL A 48 49.449 102.743 86.750 1.00 0.00 N ATOM 674 CA VAL A 48 49.355 103.648 87.933 1.00 0.00 C ATOM 675 C VAL A 48 50.059 104.982 87.657 1.00 0.00 C ATOM 676 O VAL A 48 49.699 105.997 88.227 1.00 0.00 O ATOM 677 CB VAL A 48 50.046 102.892 89.075 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.000 103.731 90.355 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.327 101.563 89.321 1.00 0.00 C ATOM 0 H VAL A 48 50.338 102.253 86.649 1.00 0.00 H new ATOM 0 HA VAL A 48 48.321 103.892 88.176 1.00 0.00 H new ATOM 0 HB VAL A 48 51.084 102.703 88.800 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.492 103.189 91.163 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.513 104.678 90.188 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.962 103.924 90.627 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.820 101.028 90.133 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.289 101.756 89.591 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.360 100.958 88.415 1.00 0.00 H new ATOM 689 N ALA A 49 51.064 104.994 86.810 1.00 0.00 N ATOM 690 CA ALA A 49 51.777 106.284 86.544 1.00 0.00 C ATOM 691 C ALA A 49 52.185 106.429 85.073 1.00 0.00 C ATOM 692 O ALA A 49 52.185 105.483 84.310 1.00 0.00 O ATOM 693 CB ALA A 49 53.016 106.239 87.438 1.00 0.00 C ATOM 0 H ALA A 49 51.415 104.183 86.301 1.00 0.00 H new ATOM 0 HA ALA A 49 51.133 107.138 86.755 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.596 107.152 87.302 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.709 106.155 88.481 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.627 105.378 87.169 1.00 0.00 H new ATOM 699 N ARG A 50 52.537 107.627 84.689 1.00 18.13 N ATOM 700 CA ARG A 50 52.960 107.904 83.285 1.00 20.89 C ATOM 701 C ARG A 50 54.120 108.911 83.268 1.00 22.46 C ATOM 702 O ARG A 50 54.144 109.865 84.023 1.00 23.35 O ATOM 703 CB ARG A 50 51.716 108.495 82.601 1.00 21.09 C ATOM 704 CG ARG A 50 51.326 109.827 83.253 1.00 22.20 C ATOM 705 CD ARG A 50 49.949 110.263 82.743 1.00 26.75 C ATOM 706 NE ARG A 50 49.760 111.651 83.259 1.00 26.68 N ATOM 707 CZ ARG A 50 48.645 112.288 83.022 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.096 112.226 81.840 1.00 27.75 N ATOM 709 NH2 ARG A 50 48.081 112.989 83.968 1.00 29.05 N ATOM 0 H ARG A 50 52.549 108.442 85.302 1.00 18.13 H new ATOM 0 HA ARG A 50 53.314 107.008 82.776 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.915 108.647 81.540 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.886 107.792 82.672 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.307 109.721 84.338 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.070 110.589 83.020 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.907 110.239 81.654 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.166 109.598 83.107 1.00 26.75 H new ATOM 0 HE ARG A 50 50.501 112.101 83.796 1.00 26.68 H new ATOM 0 HH11 ARG A 50 48.538 111.680 81.101 1.00 27.75 H new ATOM 0 HH12 ARG A 50 47.225 112.724 81.655 1.00 27.75 H new ATOM 0 HH21 ARG A 50 48.511 113.039 84.891 1.00 29.05 H new ATOM 0 HH22 ARG A 50 47.210 113.487 83.784 1.00 29.05 H new ATOM 723 N HIS A 51 55.080 108.690 82.405 1.00 22.89 N ATOM 724 CA HIS A 51 56.253 109.610 82.313 1.00 23.99 C ATOM 725 C HIS A 51 56.674 109.762 80.846 1.00 24.58 C ATOM 726 O HIS A 51 57.107 108.817 80.214 1.00 24.14 O ATOM 727 CB HIS A 51 57.354 108.936 83.137 1.00 22.92 C ATOM 728 CG HIS A 51 58.601 109.781 83.113 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.855 109.256 83.385 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.802 111.113 82.849 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.745 110.259 83.280 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.157 111.414 82.956 1.00 25.48 N ATOM 0 H HIS A 51 55.100 107.904 81.755 1.00 22.89 H new ATOM 0 HA HIS A 51 56.035 110.611 82.686 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.018 108.797 84.165 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.567 107.946 82.735 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.064 108.286 83.622 1.00 27.97 H new ATOM 0 HD2 HIS A 51 58.026 111.821 82.596 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.807 110.144 83.439 1.00 26.28 H new ATOM 740 N TRP A 52 56.538 110.947 80.304 1.00 24.73 N ATOM 741 CA TRP A 52 56.913 111.177 78.877 1.00 24.73 C ATOM 742 C TRP A 52 58.297 111.826 78.760 1.00 25.24 C ATOM 743 O TRP A 52 58.598 112.799 79.425 1.00 25.25 O ATOM 744 CB TRP A 52 55.852 112.145 78.350 1.00 22.37 C ATOM 745 CG TRP A 52 54.598 111.404 78.021 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.453 111.455 78.740 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.340 110.506 76.904 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.509 110.648 78.133 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.008 110.041 76.997 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.126 110.056 75.827 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.473 109.161 76.056 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.591 109.169 74.878 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.267 108.723 74.993 1.00 18.33 C ATOM 0 H TRP A 52 56.181 111.768 80.792 1.00 24.73 H new ATOM 0 HA TRP A 52 56.957 110.240 78.322 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.645 112.912 79.097 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.224 112.657 77.463 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.301 112.032 79.641 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.559 110.517 78.482 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.147 110.395 75.729 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.452 108.821 76.149 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.203 108.829 74.056 1.00 19.43 H new ATOM 0 HH2 TRP A 52 52.861 108.041 74.260 1.00 18.33 H new ATOM 764 N GLN A 53 59.130 111.294 77.905 1.00 0.00 N ATOM 765 CA GLN A 53 60.496 111.867 77.709 1.00 0.00 C ATOM 766 C GLN A 53 60.604 112.410 76.282 1.00 0.00 C ATOM 767 O GLN A 53 61.157 111.773 75.403 1.00 0.00 O ATOM 768 CB GLN A 53 61.453 110.691 77.913 1.00 0.00 C ATOM 769 CG GLN A 53 62.898 111.172 77.758 1.00 0.00 C ATOM 770 CD GLN A 53 63.853 109.996 77.962 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.685 108.951 77.365 1.00 0.00 O ATOM 772 NE2 GLN A 53 64.857 110.122 78.787 1.00 0.00 N ATOM 0 H GLN A 53 58.921 110.479 77.328 1.00 0.00 H new ATOM 0 HA GLN A 53 60.720 112.685 78.394 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.307 110.258 78.903 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.241 109.906 77.187 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.044 111.605 76.768 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.111 111.957 78.484 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.998 110.999 79.288 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.500 109.343 78.930 1.00 0.00 H new ATOM 781 N ILE A 54 60.048 113.570 76.041 1.00 28.56 N ATOM 782 CA ILE A 54 60.082 114.155 74.661 1.00 31.69 C ATOM 783 C ILE A 54 61.364 114.973 74.418 1.00 31.35 C ATOM 784 O ILE A 54 61.710 115.855 75.178 1.00 31.20 O ATOM 785 CB ILE A 54 58.799 115.029 74.532 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.931 116.350 75.309 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.576 114.263 75.058 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.727 117.244 74.999 1.00 36.11 C ATOM 0 H ILE A 54 59.571 114.140 76.739 1.00 28.56 H new ATOM 0 HA ILE A 54 60.097 113.372 73.903 1.00 31.69 H new ATOM 0 HB ILE A 54 58.670 115.258 73.474 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.985 116.151 76.379 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.855 116.857 75.032 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.687 114.886 74.961 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.443 113.349 74.479 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.729 114.009 76.107 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.818 118.181 75.549 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.694 117.452 73.930 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.810 116.736 75.298 1.00 36.11 H new ATOM 800 N THR A 55 62.048 114.691 73.339 1.00 32.39 N ATOM 801 CA THR A 55 63.281 115.461 72.994 1.00 32.79 C ATOM 802 C THR A 55 63.045 116.146 71.650 1.00 33.98 C ATOM 803 O THR A 55 62.593 115.536 70.700 1.00 33.62 O ATOM 804 CB THR A 55 64.424 114.448 72.918 1.00 32.44 C ATOM 805 OG1 THR A 55 64.297 113.513 73.981 1.00 30.14 O ATOM 806 CG2 THR A 55 65.763 115.177 73.035 1.00 31.51 C ATOM 0 H THR A 55 61.803 113.955 72.677 1.00 32.39 H new ATOM 0 HA THR A 55 63.525 116.228 73.729 1.00 32.79 H new ATOM 0 HB THR A 55 64.382 113.923 71.964 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.095 113.989 74.813 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.577 114.454 72.981 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.859 115.894 72.220 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.808 115.704 73.988 1.00 31.51 H new ATOM 814 N ASP A 56 63.316 117.426 71.583 1.00 36.19 N ATOM 815 CA ASP A 56 63.073 118.177 70.319 1.00 38.66 C ATOM 816 C ASP A 56 64.296 118.143 69.398 1.00 38.50 C ATOM 817 O ASP A 56 65.368 117.709 69.771 1.00 37.75 O ATOM 818 CB ASP A 56 62.757 119.608 70.763 1.00 41.21 C ATOM 819 CG ASP A 56 62.142 120.408 69.606 1.00 42.74 C ATOM 820 OD1 ASP A 56 61.869 119.822 68.569 1.00 45.04 O ATOM 821 OD2 ASP A 56 61.952 121.599 69.783 1.00 43.86 O ATOM 0 H ASP A 56 63.695 117.981 72.351 1.00 36.19 H new ATOM 0 HA ASP A 56 62.260 117.737 69.741 1.00 38.66 H new ATOM 0 HB2 ASP A 56 62.067 119.589 71.607 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.668 120.098 71.107 1.00 41.21 H new ATOM 826 N GLY A 57 64.119 118.593 68.183 1.00 37.51 N ATOM 827 CA GLY A 57 65.230 118.599 67.182 1.00 38.01 C ATOM 828 C GLY A 57 66.405 119.489 67.628 1.00 39.47 C ATOM 829 O GLY A 57 67.449 119.477 67.000 1.00 38.99 O ATOM 0 H GLY A 57 63.235 118.964 67.835 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.585 117.580 67.029 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.852 118.952 66.223 1.00 38.01 H new ATOM 833 N ASN A 58 66.273 120.242 68.699 1.00 0.00 N ATOM 834 CA ASN A 58 67.419 121.091 69.153 1.00 0.00 C ATOM 835 C ASN A 58 68.145 120.430 70.341 1.00 0.00 C ATOM 836 O ASN A 58 69.037 121.013 70.929 1.00 0.00 O ATOM 837 CB ASN A 58 66.799 122.427 69.563 1.00 0.00 C ATOM 838 CG ASN A 58 67.811 123.551 69.337 1.00 0.00 C ATOM 839 OD1 ASN A 58 68.699 123.758 70.140 1.00 0.00 O ATOM 840 ND2 ASN A 58 67.715 124.293 68.266 1.00 0.00 N ATOM 0 H ASN A 58 65.430 120.303 69.270 1.00 0.00 H new ATOM 0 HA ASN A 58 68.165 121.221 68.369 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.896 122.614 68.982 1.00 0.00 H new ATOM 0 HB3 ASN A 58 66.503 122.396 70.611 1.00 0.00 H new ATOM 0 HD21 ASN A 58 68.385 125.045 68.105 1.00 0.00 H new ATOM 0 HD22 ASN A 58 66.970 124.120 67.591 1.00 0.00 H new ATOM 847 N GLY A 59 67.782 119.215 70.686 1.00 0.00 N ATOM 848 CA GLY A 59 68.462 118.514 71.817 1.00 0.00 C ATOM 849 C GLY A 59 67.693 118.726 73.124 1.00 0.00 C ATOM 850 O GLY A 59 67.709 117.879 74.000 1.00 0.00 O ATOM 0 H GLY A 59 67.042 118.681 70.230 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.534 117.448 71.600 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.480 118.887 71.924 1.00 0.00 H new ATOM 854 N ARG A 60 67.023 119.843 73.271 1.00 49.10 N ATOM 855 CA ARG A 60 66.262 120.096 74.535 1.00 50.05 C ATOM 856 C ARG A 60 65.150 119.055 74.692 1.00 49.79 C ATOM 857 O ARG A 60 64.526 118.655 73.726 1.00 48.27 O ATOM 858 CB ARG A 60 65.664 121.502 74.376 1.00 52.38 C ATOM 859 CG ARG A 60 66.406 122.497 75.284 1.00 55.08 C ATOM 860 CD ARG A 60 67.232 123.465 74.431 1.00 57.97 C ATOM 861 NE ARG A 60 66.239 124.168 73.571 1.00 60.72 N ATOM 862 CZ ARG A 60 66.622 124.730 72.456 1.00 61.65 C ATOM 863 NH1 ARG A 60 67.731 125.418 72.419 1.00 61.80 N ATOM 864 NH2 ARG A 60 65.896 124.605 71.379 1.00 62.78 N ATOM 0 H ARG A 60 66.970 120.587 72.575 1.00 49.10 H new ATOM 0 HA ARG A 60 66.897 120.027 75.419 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.738 121.822 73.337 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.604 121.486 74.630 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.691 123.053 75.890 1.00 55.08 H new ATOM 0 HG3 ARG A 60 67.057 121.959 75.972 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.782 124.169 75.055 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.967 122.931 73.829 1.00 57.97 H new ATOM 0 HE ARG A 60 65.260 124.210 73.853 1.00 60.72 H new ATOM 0 HH11 ARG A 60 68.298 125.517 73.261 1.00 61.80 H new ATOM 0 HH12 ARG A 60 68.030 125.857 71.548 1.00 61.80 H new ATOM 0 HH21 ARG A 60 65.029 124.068 71.408 1.00 62.78 H new ATOM 0 HH22 ARG A 60 66.195 125.044 70.508 1.00 62.78 H new ATOM 878 N THR A 61 64.901 118.612 75.899 1.00 0.00 N ATOM 879 CA THR A 61 63.830 117.594 76.117 1.00 0.00 C ATOM 880 C THR A 61 62.950 117.989 77.308 1.00 0.00 C ATOM 881 O THR A 61 63.394 118.665 78.217 1.00 0.00 O ATOM 882 CB THR A 61 64.573 116.280 76.396 1.00 0.00 C ATOM 883 OG1 THR A 61 63.628 115.247 76.634 1.00 0.00 O ATOM 884 CG2 THR A 61 65.481 116.433 77.624 1.00 0.00 C ATOM 0 H THR A 61 65.393 118.911 76.741 1.00 0.00 H new ATOM 0 HA THR A 61 63.167 117.506 75.257 1.00 0.00 H new ATOM 0 HB THR A 61 65.187 116.029 75.531 1.00 0.00 H new ATOM 0 HG1 THR A 61 62.741 115.540 76.337 1.00 0.00 H new ATOM 0 HG21 THR A 61 66.002 115.494 77.811 1.00 0.00 H new ATOM 0 HG22 THR A 61 66.210 117.222 77.441 1.00 0.00 H new ATOM 0 HG23 THR A 61 64.877 116.692 78.493 1.00 0.00 H new ATOM 892 N GLU A 62 61.707 117.577 77.304 1.00 0.00 N ATOM 893 CA GLU A 62 60.795 117.933 78.431 1.00 0.00 C ATOM 894 C GLU A 62 60.239 116.666 79.089 1.00 0.00 C ATOM 895 O GLU A 62 59.638 115.829 78.445 1.00 0.00 O ATOM 896 CB GLU A 62 59.669 118.744 77.790 1.00 0.00 C ATOM 897 CG GLU A 62 60.209 120.104 77.342 1.00 0.00 C ATOM 898 CD GLU A 62 59.084 120.922 76.698 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.943 120.735 77.085 1.00 0.00 O ATOM 900 OE2 GLU A 62 59.386 121.721 75.827 1.00 0.00 O ATOM 0 H GLU A 62 61.285 117.010 76.569 1.00 0.00 H new ATOM 0 HA GLU A 62 61.308 118.494 79.212 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.259 118.205 76.936 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.855 118.881 78.502 1.00 0.00 H new ATOM 0 HG2 GLU A 62 60.619 120.642 78.196 1.00 0.00 H new ATOM 0 HG3 GLU A 62 61.024 119.966 76.631 1.00 0.00 H new ATOM 907 N GLN A 63 60.444 116.529 80.371 1.00 0.00 N ATOM 908 CA GLN A 63 59.937 115.324 81.097 1.00 0.00 C ATOM 909 C GLN A 63 58.697 115.674 81.927 1.00 0.00 C ATOM 910 O GLN A 63 58.646 116.692 82.591 1.00 0.00 O ATOM 911 CB GLN A 63 61.091 114.876 82.013 1.00 0.00 C ATOM 912 CG GLN A 63 61.551 116.024 82.919 1.00 0.00 C ATOM 913 CD GLN A 63 62.431 115.467 84.039 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.576 115.127 83.816 1.00 0.00 O ATOM 915 NE2 GLN A 63 61.941 115.357 85.243 1.00 0.00 N ATOM 0 H GLN A 63 60.943 117.203 80.952 1.00 0.00 H new ATOM 0 HA GLN A 63 59.640 114.535 80.406 1.00 0.00 H new ATOM 0 HB2 GLN A 63 60.769 114.033 82.624 1.00 0.00 H new ATOM 0 HB3 GLN A 63 61.928 114.529 81.407 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.106 116.760 82.338 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.687 116.537 83.342 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.980 115.642 85.430 1.00 0.00 H new ATOM 0 HE22 GLN A 63 62.519 114.986 85.997 1.00 0.00 H new ATOM 924 N VAL A 64 57.690 114.839 81.879 1.00 37.94 N ATOM 925 CA VAL A 64 56.443 115.117 82.654 1.00 37.05 C ATOM 926 C VAL A 64 56.051 113.888 83.480 1.00 36.89 C ATOM 927 O VAL A 64 56.033 112.777 82.990 1.00 36.32 O ATOM 928 CB VAL A 64 55.375 115.437 81.603 1.00 36.50 C ATOM 929 CG1 VAL A 64 54.042 115.740 82.294 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.809 116.658 80.787 1.00 35.74 C ATOM 0 H VAL A 64 57.678 113.976 81.336 1.00 37.94 H new ATOM 0 HA VAL A 64 56.568 115.941 83.357 1.00 37.05 H new ATOM 0 HB VAL A 64 55.255 114.578 80.943 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.286 115.967 81.542 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.728 114.873 82.875 1.00 37.01 H new ATOM 0 HG13 VAL A 64 54.163 116.596 82.957 1.00 37.01 H new ATOM 0 HG21 VAL A 64 55.049 116.885 80.040 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.932 117.514 81.451 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.755 116.445 80.289 1.00 35.74 H new ATOM 940 N ASP A 65 55.748 114.093 84.735 1.00 0.00 N ATOM 941 CA ASP A 65 55.364 112.957 85.626 1.00 0.00 C ATOM 942 C ASP A 65 53.999 113.227 86.268 1.00 0.00 C ATOM 943 O ASP A 65 53.788 114.253 86.887 1.00 0.00 O ATOM 944 CB ASP A 65 56.463 112.897 86.695 1.00 0.00 C ATOM 945 CG ASP A 65 56.536 114.228 87.453 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.782 115.239 86.816 1.00 0.00 O ATOM 947 OD2 ASP A 65 56.346 114.212 88.658 1.00 0.00 O ATOM 0 H ASP A 65 55.750 115.008 85.186 1.00 0.00 H new ATOM 0 HA ASP A 65 55.277 112.017 85.082 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.259 112.084 87.392 1.00 0.00 H new ATOM 0 HB3 ASP A 65 57.424 112.683 86.228 1.00 0.00 H new ATOM 952 N GLY A 66 53.074 112.310 86.129 1.00 31.82 N ATOM 953 CA GLY A 66 51.722 112.503 86.733 1.00 29.07 C ATOM 954 C GLY A 66 51.141 111.144 87.126 1.00 27.67 C ATOM 955 O GLY A 66 51.410 110.142 86.494 1.00 27.18 O ATOM 0 H GLY A 66 53.199 111.434 85.622 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.792 113.148 87.609 1.00 29.07 H new ATOM 0 HA3 GLY A 66 51.062 113.001 86.023 1.00 29.07 H new ATOM 959 N GLU A 67 50.350 111.102 88.168 1.00 0.00 N ATOM 960 CA GLU A 67 49.750 109.804 88.606 1.00 0.00 C ATOM 961 C GLU A 67 48.553 109.439 87.717 1.00 0.00 C ATOM 962 O GLU A 67 47.915 110.299 87.139 1.00 0.00 O ATOM 963 CB GLU A 67 49.305 110.029 90.058 1.00 0.00 C ATOM 964 CG GLU A 67 48.282 111.170 90.130 1.00 0.00 C ATOM 965 CD GLU A 67 47.505 111.073 91.444 1.00 0.00 C ATOM 966 OE1 GLU A 67 47.979 111.613 92.430 1.00 0.00 O ATOM 967 OE2 GLU A 67 46.449 110.461 91.441 1.00 0.00 O ATOM 0 H GLU A 67 50.093 111.910 88.735 1.00 0.00 H new ATOM 0 HA GLU A 67 50.459 108.980 88.528 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.868 109.114 90.458 1.00 0.00 H new ATOM 0 HB3 GLU A 67 50.169 110.267 90.678 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.789 112.133 90.065 1.00 0.00 H new ATOM 0 HG3 GLU A 67 47.597 111.113 89.284 1.00 0.00 H new ATOM 974 N GLY A 68 48.240 108.171 87.617 1.00 22.62 N ATOM 975 CA GLY A 68 47.077 107.733 86.782 1.00 22.36 C ATOM 976 C GLY A 68 47.208 108.255 85.348 1.00 20.38 C ATOM 977 O GLY A 68 48.161 108.922 84.999 1.00 21.93 O ATOM 0 H GLY A 68 48.743 107.415 88.081 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.019 106.645 86.773 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.149 108.098 87.223 1.00 22.36 H new ATOM 981 N VAL A 69 46.237 107.957 84.523 1.00 17.51 N ATOM 982 CA VAL A 69 46.258 108.429 83.102 1.00 15.40 C ATOM 983 C VAL A 69 44.938 109.129 82.772 1.00 17.02 C ATOM 984 O VAL A 69 43.868 108.603 82.988 1.00 17.35 O ATOM 985 CB VAL A 69 46.445 107.177 82.228 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.867 106.647 82.398 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.443 106.085 82.625 1.00 8.21 C ATOM 0 H VAL A 69 45.420 107.400 84.775 1.00 17.51 H new ATOM 0 HA VAL A 69 47.062 109.144 82.926 1.00 15.40 H new ATOM 0 HB VAL A 69 46.271 107.449 81.187 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.001 105.760 81.779 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.580 107.413 82.093 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.037 106.389 83.443 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.592 105.208 81.995 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.597 105.812 83.669 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.427 106.458 82.493 1.00 8.21 H new ATOM 997 N VAL A 70 45.037 110.331 82.262 1.00 17.68 N ATOM 998 CA VAL A 70 43.838 111.165 81.896 1.00 16.81 C ATOM 999 C VAL A 70 42.722 111.062 82.961 1.00 17.08 C ATOM 1000 O VAL A 70 41.546 111.094 82.657 1.00 16.77 O ATOM 1001 CB VAL A 70 43.368 110.699 80.500 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.544 110.711 79.517 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.774 109.291 80.571 1.00 20.55 C ATOM 0 H VAL A 70 45.929 110.789 82.076 1.00 17.68 H new ATOM 0 HA VAL A 70 44.101 112.222 81.864 1.00 16.81 H new ATOM 0 HB VAL A 70 42.598 111.388 80.152 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.202 110.381 78.536 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.944 111.722 79.440 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.324 110.039 79.874 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.449 108.982 79.577 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.529 108.596 80.938 1.00 20.55 H new ATOM 0 HG23 VAL A 70 41.920 109.290 81.248 1.00 20.55 H new ATOM 1013 N GLY A 71 43.106 110.985 84.214 1.00 17.30 N ATOM 1014 CA GLY A 71 42.109 110.934 85.332 1.00 16.44 C ATOM 1015 C GLY A 71 41.564 109.518 85.585 1.00 18.03 C ATOM 1016 O GLY A 71 40.564 109.363 86.262 1.00 18.29 O ATOM 0 H GLY A 71 44.081 110.955 84.513 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.575 111.307 86.244 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.279 111.602 85.102 1.00 16.44 H new ATOM 1020 N GLU A 72 42.194 108.489 85.068 1.00 0.00 N ATOM 1021 CA GLU A 72 41.663 107.107 85.321 1.00 0.00 C ATOM 1022 C GLU A 72 42.785 106.070 85.443 1.00 0.00 C ATOM 1023 O GLU A 72 43.833 106.187 84.841 1.00 0.00 O ATOM 1024 CB GLU A 72 40.757 106.779 84.130 1.00 0.00 C ATOM 1025 CG GLU A 72 41.560 106.845 82.833 1.00 0.00 C ATOM 1026 CD GLU A 72 40.718 106.287 81.683 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.602 105.075 81.593 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.204 107.080 80.913 1.00 0.00 O ATOM 0 H GLU A 72 43.035 108.541 84.493 1.00 0.00 H new ATOM 0 HA GLU A 72 41.123 107.075 86.267 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.327 105.785 84.252 1.00 0.00 H new ATOM 0 HB3 GLU A 72 39.926 107.483 84.090 1.00 0.00 H new ATOM 0 HG2 GLU A 72 41.846 107.875 82.622 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.482 106.272 82.934 1.00 0.00 H new ATOM 1035 N GLN A 73 42.542 105.046 86.219 1.00 13.09 N ATOM 1036 CA GLN A 73 43.544 103.957 86.410 1.00 15.45 C ATOM 1037 C GLN A 73 42.959 102.649 85.855 1.00 15.30 C ATOM 1038 O GLN A 73 42.533 101.792 86.606 1.00 16.40 O ATOM 1039 CB GLN A 73 43.728 103.862 87.927 1.00 18.12 C ATOM 1040 CG GLN A 73 44.482 105.094 88.429 1.00 18.21 C ATOM 1041 CD GLN A 73 44.443 105.128 89.958 1.00 16.98 C ATOM 1042 OE1 GLN A 73 45.411 104.789 90.609 1.00 18.14 O ATOM 1043 NE2 GLN A 73 43.358 105.526 90.564 1.00 14.04 N ATOM 0 H GLN A 73 41.674 104.917 86.738 1.00 13.09 H new ATOM 0 HA GLN A 73 44.490 104.143 85.901 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.757 103.792 88.418 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.280 102.957 88.181 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.515 105.068 88.081 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.032 106.000 88.023 1.00 18.21 H new ATOM 0 HE21 GLN A 73 42.545 105.811 90.019 1.00 14.04 H new ATOM 0 HE22 GLN A 73 43.323 105.552 91.583 1.00 14.04 H new ATOM 1052 N PRO A 74 42.929 102.556 84.544 1.00 15.25 N ATOM 1053 CA PRO A 74 42.341 101.335 83.918 1.00 16.63 C ATOM 1054 C PRO A 74 43.042 100.051 84.380 1.00 17.41 C ATOM 1055 O PRO A 74 44.251 99.995 84.515 1.00 17.61 O ATOM 1056 CB PRO A 74 42.554 101.545 82.422 1.00 16.18 C ATOM 1057 CG PRO A 74 43.717 102.469 82.327 1.00 16.38 C ATOM 1058 CD PRO A 74 43.663 103.352 83.541 1.00 13.89 C ATOM 0 HA PRO A 74 41.294 101.210 84.193 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.757 100.601 81.915 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.669 101.975 81.953 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.653 101.912 82.294 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.667 103.062 81.414 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.663 103.607 83.891 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.151 104.290 83.327 1.00 13.89 H new ATOM 1066 N TRP A 75 42.271 99.015 84.594 1.00 0.00 N ATOM 1067 CA TRP A 75 42.841 97.703 85.018 1.00 0.00 C ATOM 1068 C TRP A 75 42.888 96.778 83.800 1.00 0.00 C ATOM 1069 O TRP A 75 42.050 95.913 83.633 1.00 0.00 O ATOM 1070 CB TRP A 75 41.861 97.168 86.065 1.00 0.00 C ATOM 1071 CG TRP A 75 42.584 96.274 87.021 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.362 96.698 88.044 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.607 94.818 87.067 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.864 95.595 88.711 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.426 94.413 88.147 1.00 0.00 C ATOM 1076 CE3 TRP A 75 42.003 93.819 86.283 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.638 93.065 88.439 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 42.214 92.460 86.574 1.00 0.00 C ATOM 1079 CH2 TRP A 75 43.030 92.085 87.651 1.00 0.00 C ATOM 0 H TRP A 75 41.256 99.024 84.491 1.00 0.00 H new ATOM 0 HA TRP A 75 43.851 97.779 85.421 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.401 97.997 86.604 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.056 96.619 85.577 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.559 97.729 88.298 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.482 95.648 89.521 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.373 94.098 85.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.268 92.781 89.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.745 91.701 85.965 1.00 0.00 H new ATOM 0 HH2 TRP A 75 43.188 91.040 87.871 1.00 0.00 H new ATOM 1090 N LEU A 76 43.845 96.983 82.933 1.00 18.07 N ATOM 1091 CA LEU A 76 43.936 96.149 81.697 1.00 17.96 C ATOM 1092 C LEU A 76 44.111 94.665 82.020 1.00 19.47 C ATOM 1093 O LEU A 76 45.099 94.254 82.597 1.00 20.57 O ATOM 1094 CB LEU A 76 45.161 96.671 80.944 1.00 16.79 C ATOM 1095 CG LEU A 76 44.730 97.749 79.946 1.00 17.27 C ATOM 1096 CD1 LEU A 76 45.968 98.342 79.277 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.828 97.127 78.877 1.00 15.14 C ATOM 0 H LEU A 76 44.570 97.694 83.028 1.00 18.07 H new ATOM 0 HA LEU A 76 43.020 96.225 81.111 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.885 97.081 81.648 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.654 95.852 80.420 1.00 16.79 H new ATOM 0 HG LEU A 76 44.184 98.532 80.472 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.664 99.110 78.566 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.614 98.784 80.035 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.510 97.555 78.752 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.522 97.895 78.167 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.374 96.344 78.351 1.00 15.14 H new ATOM 0 HD23 LEU A 76 42.945 96.698 79.351 1.00 15.14 H new ATOM 1109 N ARG A 77 43.163 93.861 81.615 1.00 0.00 N ATOM 1110 CA ARG A 77 43.262 92.394 81.848 1.00 0.00 C ATOM 1111 C ARG A 77 44.054 91.773 80.693 1.00 0.00 C ATOM 1112 O ARG A 77 44.132 92.359 79.629 1.00 0.00 O ATOM 1113 CB ARG A 77 41.817 91.893 81.849 1.00 0.00 C ATOM 1114 CG ARG A 77 41.143 92.279 83.166 1.00 0.00 C ATOM 1115 CD ARG A 77 39.648 91.958 83.088 1.00 0.00 C ATOM 1116 NE ARG A 77 39.562 90.484 83.276 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.600 89.809 82.708 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.392 89.852 83.201 1.00 0.00 N ATOM 1119 NH2 ARG A 77 38.845 89.091 81.647 1.00 0.00 N ATOM 0 H ARG A 77 42.318 94.163 81.129 1.00 0.00 H new ATOM 0 HA ARG A 77 43.768 92.136 82.778 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.271 92.323 81.009 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.796 90.811 81.721 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.600 91.736 83.993 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.288 93.341 83.363 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.089 92.488 83.860 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.229 92.259 82.128 1.00 0.00 H new ATOM 0 HE ARG A 77 40.255 90.001 83.849 1.00 0.00 H new ATOM 0 HH11 ARG A 77 37.199 90.413 84.031 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.641 89.324 82.757 1.00 0.00 H new ATOM 0 HH21 ARG A 77 39.789 89.057 81.261 1.00 0.00 H new ATOM 0 HH22 ARG A 77 38.093 88.564 81.203 1.00 0.00 H new ATOM 1133 N PRO A 78 44.629 90.613 80.927 1.00 23.86 N ATOM 1134 CA PRO A 78 45.422 89.980 79.825 1.00 24.22 C ATOM 1135 C PRO A 78 44.588 89.864 78.538 1.00 24.36 C ATOM 1136 O PRO A 78 43.486 89.351 78.537 1.00 22.27 O ATOM 1137 CB PRO A 78 45.795 88.606 80.371 1.00 25.39 C ATOM 1138 CG PRO A 78 44.752 88.310 81.393 1.00 27.04 C ATOM 1139 CD PRO A 78 44.353 89.633 81.993 1.00 25.13 C ATOM 0 HA PRO A 78 46.299 90.567 79.553 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.801 87.854 79.582 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.792 88.612 80.812 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.893 87.815 80.939 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.139 87.638 82.159 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.301 89.640 82.277 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.928 89.851 82.893 1.00 25.13 H new ATOM 1147 N GLY A 79 45.130 90.342 77.446 1.00 24.74 N ATOM 1148 CA GLY A 79 44.404 90.274 76.143 1.00 23.79 C ATOM 1149 C GLY A 79 43.542 91.531 75.933 1.00 23.44 C ATOM 1150 O GLY A 79 43.125 91.816 74.826 1.00 22.44 O ATOM 0 H GLY A 79 46.051 90.779 77.402 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.120 90.178 75.327 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.772 89.386 76.119 1.00 23.79 H new ATOM 1154 N GLU A 80 43.272 92.286 76.975 1.00 23.31 N ATOM 1155 CA GLU A 80 42.439 93.520 76.814 1.00 21.90 C ATOM 1156 C GLU A 80 43.318 94.717 76.437 1.00 20.95 C ATOM 1157 O GLU A 80 44.527 94.674 76.559 1.00 19.52 O ATOM 1158 CB GLU A 80 41.779 93.744 78.174 1.00 23.06 C ATOM 1159 CG GLU A 80 40.571 94.673 78.010 1.00 23.88 C ATOM 1160 CD GLU A 80 39.828 94.807 79.344 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.920 93.895 80.151 1.00 25.91 O ATOM 1162 OE2 GLU A 80 39.174 95.819 79.533 1.00 29.38 O ATOM 0 H GLU A 80 43.592 92.100 77.926 1.00 23.31 H new ATOM 0 HA GLU A 80 41.701 93.410 76.019 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.463 92.791 78.598 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.495 94.181 78.870 1.00 23.06 H new ATOM 0 HG2 GLU A 80 40.900 95.654 77.667 1.00 23.88 H new ATOM 0 HG3 GLU A 80 39.899 94.278 77.248 1.00 23.88 H new ATOM 1169 N ALA A 81 42.712 95.784 75.975 1.00 0.00 N ATOM 1170 CA ALA A 81 43.496 96.992 75.579 1.00 0.00 C ATOM 1171 C ALA A 81 42.699 98.265 75.891 1.00 0.00 C ATOM 1172 O ALA A 81 41.482 98.268 75.862 1.00 0.00 O ATOM 1173 CB ALA A 81 43.717 96.848 74.074 1.00 0.00 C ATOM 0 H ALA A 81 41.703 95.869 75.855 1.00 0.00 H new ATOM 0 HA ALA A 81 44.439 97.069 76.120 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.288 97.701 73.707 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.268 95.929 73.873 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.753 96.811 73.567 1.00 0.00 H new ATOM 1179 N PHE A 82 43.378 99.349 76.174 1.00 18.56 N ATOM 1180 CA PHE A 82 42.672 100.634 76.471 1.00 17.00 C ATOM 1181 C PHE A 82 43.067 101.679 75.419 1.00 16.61 C ATOM 1182 O PHE A 82 44.175 101.661 74.916 1.00 15.77 O ATOM 1183 CB PHE A 82 43.160 101.042 77.866 1.00 13.41 C ATOM 1184 CG PHE A 82 42.544 102.367 78.257 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.153 102.490 78.355 1.00 10.24 C ATOM 1186 CD2 PHE A 82 43.365 103.471 78.518 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.582 103.717 78.715 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.794 104.698 78.878 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.403 104.821 78.976 1.00 9.06 C ATOM 0 H PHE A 82 44.396 99.399 76.212 1.00 18.56 H new ATOM 0 HA PHE A 82 41.586 100.543 76.444 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.891 100.277 78.594 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.247 101.120 77.873 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.520 101.639 78.153 1.00 10.24 H new ATOM 0 HD2 PHE A 82 44.438 103.376 78.442 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.509 103.812 78.791 1.00 10.01 H new ATOM 0 HE2 PHE A 82 43.427 105.549 79.080 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.963 105.768 79.253 1.00 9.06 H new ATOM 1199 N HIS A 83 42.177 102.581 75.074 1.00 0.00 N ATOM 1200 CA HIS A 83 42.524 103.609 74.044 1.00 0.00 C ATOM 1201 C HIS A 83 41.901 104.969 74.396 1.00 0.00 C ATOM 1202 O HIS A 83 40.750 105.053 74.783 1.00 0.00 O ATOM 1203 CB HIS A 83 41.931 103.058 72.742 1.00 0.00 C ATOM 1204 CG HIS A 83 42.210 103.999 71.601 1.00 0.00 C ATOM 1205 ND1 HIS A 83 43.498 104.301 71.191 1.00 0.00 N ATOM 1206 CD2 HIS A 83 41.377 104.705 70.769 1.00 0.00 C ATOM 1207 CE1 HIS A 83 43.405 105.152 70.153 1.00 0.00 C ATOM 1208 NE2 HIS A 83 42.133 105.432 69.854 1.00 0.00 N ATOM 0 H HIS A 83 41.234 102.649 75.458 1.00 0.00 H new ATOM 0 HA HIS A 83 43.598 103.778 73.972 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.357 102.078 72.527 1.00 0.00 H new ATOM 0 HB3 HIS A 83 40.856 102.920 72.854 1.00 0.00 H new ATOM 0 HD1 HIS A 83 44.361 103.943 71.601 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.298 104.697 70.817 1.00 0.00 H new ATOM 0 HE1 HIS A 83 44.255 105.559 69.626 1.00 0.00 H new ATOM 1216 N TYR A 84 42.650 106.031 74.234 1.00 21.96 N ATOM 1217 CA TYR A 84 42.111 107.395 74.524 1.00 22.81 C ATOM 1218 C TYR A 84 42.814 108.430 73.633 1.00 25.11 C ATOM 1219 O TYR A 84 43.878 108.177 73.100 1.00 26.65 O ATOM 1220 CB TYR A 84 42.369 107.652 76.019 1.00 19.35 C ATOM 1221 CG TYR A 84 43.851 107.733 76.313 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.513 108.966 76.250 1.00 15.59 C ATOM 1223 CD2 TYR A 84 44.557 106.581 76.673 1.00 12.01 C ATOM 1224 CE1 TYR A 84 45.879 109.044 76.544 1.00 14.00 C ATOM 1225 CE2 TYR A 84 45.924 106.657 76.964 1.00 9.20 C ATOM 1226 CZ TYR A 84 46.585 107.889 76.900 1.00 12.19 C ATOM 1227 OH TYR A 84 47.931 107.966 77.195 1.00 13.46 O ATOM 0 H TYR A 84 43.617 106.011 73.911 1.00 21.96 H new ATOM 0 HA TYR A 84 41.045 107.472 74.310 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.885 108.581 76.320 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.921 106.853 76.610 1.00 19.35 H new ATOM 0 HD1 TYR A 84 43.969 109.857 75.974 1.00 15.59 H new ATOM 0 HD2 TYR A 84 44.047 105.631 76.727 1.00 12.01 H new ATOM 0 HE1 TYR A 84 46.388 109.995 76.496 1.00 14.00 H new ATOM 0 HE2 TYR A 84 46.468 105.765 77.238 1.00 9.20 H new ATOM 0 HH TYR A 84 48.105 107.515 78.047 1.00 13.46 H new ATOM 1237 N THR A 85 42.219 109.584 73.457 1.00 26.58 N ATOM 1238 CA THR A 85 42.843 110.628 72.585 1.00 26.99 C ATOM 1239 C THR A 85 43.455 111.753 73.426 1.00 28.14 C ATOM 1240 O THR A 85 42.884 112.190 74.407 1.00 27.02 O ATOM 1241 CB THR A 85 41.694 111.165 71.732 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.075 110.087 71.042 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.235 112.177 70.721 1.00 21.76 C ATOM 0 H THR A 85 41.329 109.848 73.879 1.00 26.58 H new ATOM 0 HA THR A 85 43.653 110.219 71.981 1.00 26.99 H new ATOM 0 HB THR A 85 40.962 111.654 72.375 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.337 110.429 70.496 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.414 112.559 70.114 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.709 113.003 71.251 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.968 111.691 70.077 1.00 21.76 H new ATOM 1251 N SER A 86 44.615 112.226 73.038 1.00 29.06 N ATOM 1252 CA SER A 86 45.276 113.329 73.798 1.00 29.05 C ATOM 1253 C SER A 86 45.577 114.503 72.856 1.00 29.43 C ATOM 1254 O SER A 86 45.519 114.358 71.644 1.00 29.12 O ATOM 1255 CB SER A 86 46.573 112.714 74.316 1.00 29.12 C ATOM 1256 OG SER A 86 47.402 113.743 74.837 1.00 33.88 O ATOM 0 H SER A 86 45.133 111.893 72.225 1.00 29.06 H new ATOM 0 HA SER A 86 44.654 113.717 74.605 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.357 111.978 75.090 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.087 112.189 73.511 1.00 29.12 H new ATOM 0 HG SER A 86 48.147 113.905 74.222 1.00 33.88 H new ATOM 1262 N GLY A 87 45.910 115.656 73.387 1.00 29.08 N ATOM 1263 CA GLY A 87 46.215 116.825 72.503 1.00 29.89 C ATOM 1264 C GLY A 87 47.374 117.644 73.082 1.00 31.80 C ATOM 1265 O GLY A 87 47.295 118.159 74.182 1.00 31.40 O ATOM 0 H GLY A 87 45.983 115.837 74.388 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.472 116.476 71.503 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.331 117.454 72.403 1.00 29.89 H new ATOM 1269 N VAL A 88 48.445 117.772 72.339 1.00 0.00 N ATOM 1270 CA VAL A 88 49.621 118.563 72.820 1.00 0.00 C ATOM 1271 C VAL A 88 50.065 119.550 71.733 1.00 0.00 C ATOM 1272 O VAL A 88 49.875 119.315 70.554 1.00 0.00 O ATOM 1273 CB VAL A 88 50.720 117.529 73.092 1.00 0.00 C ATOM 1274 CG1 VAL A 88 51.991 118.236 73.573 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.251 116.556 74.175 1.00 0.00 C ATOM 0 H VAL A 88 48.556 117.360 71.413 1.00 0.00 H new ATOM 0 HA VAL A 88 49.391 119.147 73.711 1.00 0.00 H new ATOM 0 HB VAL A 88 50.931 116.984 72.172 1.00 0.00 H new ATOM 0 HG11 VAL A 88 52.768 117.496 73.765 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.333 118.931 72.806 1.00 0.00 H new ATOM 0 HG13 VAL A 88 51.777 118.784 74.491 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.033 115.821 74.368 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.037 117.107 75.091 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.348 116.045 73.839 1.00 0.00 H new ATOM 1285 N LEU A 89 50.656 120.651 72.126 1.00 0.00 N ATOM 1286 CA LEU A 89 51.116 121.658 71.122 1.00 0.00 C ATOM 1287 C LEU A 89 52.646 121.653 71.031 1.00 0.00 C ATOM 1288 O LEU A 89 53.332 121.483 72.022 1.00 0.00 O ATOM 1289 CB LEU A 89 50.614 123.003 71.647 1.00 0.00 C ATOM 1290 CG LEU A 89 49.087 123.044 71.573 1.00 0.00 C ATOM 1291 CD1 LEU A 89 48.497 122.608 72.915 1.00 0.00 C ATOM 1292 CD2 LEU A 89 48.629 124.470 71.255 1.00 0.00 C ATOM 0 H LEU A 89 50.840 120.896 73.099 1.00 0.00 H new ATOM 0 HA LEU A 89 50.737 121.446 70.122 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.942 123.149 72.676 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.039 123.816 71.059 1.00 0.00 H new ATOM 0 HG LEU A 89 48.745 122.368 70.789 1.00 0.00 H new ATOM 0 HD11 LEU A 89 47.409 122.638 72.861 1.00 0.00 H new ATOM 0 HD12 LEU A 89 48.821 121.593 73.142 1.00 0.00 H new ATOM 0 HD13 LEU A 89 48.840 123.283 73.700 1.00 0.00 H new ATOM 0 HD21 LEU A 89 47.541 124.499 71.202 1.00 0.00 H new ATOM 0 HD22 LEU A 89 48.973 125.146 72.038 1.00 0.00 H new ATOM 0 HD23 LEU A 89 49.047 124.782 70.298 1.00 0.00 H new ATOM 1304 N LEU A 90 53.183 121.825 69.848 1.00 37.85 N ATOM 1305 CA LEU A 90 54.670 121.817 69.692 1.00 36.74 C ATOM 1306 C LEU A 90 55.147 123.106 69.016 1.00 35.30 C ATOM 1307 O LEU A 90 54.477 123.640 68.153 1.00 35.10 O ATOM 1308 CB LEU A 90 54.959 120.614 68.793 1.00 38.41 C ATOM 1309 CG LEU A 90 54.724 119.321 69.576 1.00 38.68 C ATOM 1310 CD1 LEU A 90 54.669 118.139 68.605 1.00 37.80 C ATOM 1311 CD2 LEU A 90 55.873 119.110 70.565 1.00 38.08 C ATOM 0 H LEU A 90 52.657 121.970 68.986 1.00 37.85 H new ATOM 0 HA LEU A 90 55.183 121.754 70.652 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.315 120.641 67.914 1.00 38.41 H new ATOM 0 HB3 LEU A 90 55.988 120.653 68.436 1.00 38.41 H new ATOM 0 HG LEU A 90 53.781 119.391 70.119 1.00 38.68 H new ATOM 0 HD11 LEU A 90 54.502 117.218 69.163 1.00 37.80 H new ATOM 0 HD12 LEU A 90 53.854 118.288 67.897 1.00 37.80 H new ATOM 0 HD13 LEU A 90 55.612 118.069 68.063 1.00 37.80 H new ATOM 0 HD21 LEU A 90 55.707 118.189 71.124 1.00 38.08 H new ATOM 0 HD22 LEU A 90 56.814 119.039 70.020 1.00 38.08 H new ATOM 0 HD23 LEU A 90 55.917 119.951 71.257 1.00 38.08 H new ATOM 1323 N GLU A 91 56.298 123.607 69.386 1.00 0.00 N ATOM 1324 CA GLU A 91 56.817 124.855 68.745 1.00 0.00 C ATOM 1325 C GLU A 91 57.684 124.502 67.525 1.00 0.00 C ATOM 1326 O GLU A 91 57.886 125.314 66.642 1.00 0.00 O ATOM 1327 CB GLU A 91 57.660 125.534 69.825 1.00 0.00 C ATOM 1328 CG GLU A 91 58.206 126.863 69.293 1.00 0.00 C ATOM 1329 CD GLU A 91 59.055 127.554 70.369 1.00 0.00 C ATOM 1330 OE1 GLU A 91 58.894 127.226 71.535 1.00 0.00 O ATOM 1331 OE2 GLU A 91 59.848 128.406 70.007 1.00 0.00 O ATOM 0 H GLU A 91 56.901 123.206 70.104 1.00 0.00 H new ATOM 0 HA GLU A 91 56.015 125.502 68.389 1.00 0.00 H new ATOM 0 HB2 GLU A 91 57.056 125.708 70.716 1.00 0.00 H new ATOM 0 HB3 GLU A 91 58.483 124.883 70.120 1.00 0.00 H new ATOM 0 HG2 GLU A 91 58.808 126.687 68.402 1.00 0.00 H new ATOM 0 HG3 GLU A 91 57.381 127.512 68.998 1.00 0.00 H new ATOM 1338 N THR A 92 58.195 123.296 67.477 1.00 31.63 N ATOM 1339 CA THR A 92 59.052 122.872 66.329 1.00 28.98 C ATOM 1340 C THR A 92 58.258 121.981 65.369 1.00 28.33 C ATOM 1341 O THR A 92 57.532 121.104 65.800 1.00 29.20 O ATOM 1342 CB THR A 92 60.176 122.056 66.973 1.00 29.53 C ATOM 1343 OG1 THR A 92 59.643 121.238 68.007 1.00 29.23 O ATOM 1344 CG2 THR A 92 61.222 123.006 67.557 1.00 25.50 C ATOM 0 H THR A 92 58.053 122.582 68.191 1.00 31.63 H new ATOM 0 HA THR A 92 59.418 123.722 65.754 1.00 28.98 H new ATOM 0 HB THR A 92 60.641 121.422 66.219 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.198 120.437 68.109 1.00 29.23 H new ATOM 0 HG21 THR A 92 62.023 122.427 68.016 1.00 25.50 H new ATOM 0 HG22 THR A 92 61.633 123.628 66.762 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.756 123.642 68.310 1.00 25.50 H new ATOM 1352 N GLU A 93 58.390 122.184 64.079 1.00 0.00 N ATOM 1353 CA GLU A 93 57.636 121.323 63.114 1.00 0.00 C ATOM 1354 C GLU A 93 58.313 119.949 62.965 1.00 0.00 C ATOM 1355 O GLU A 93 57.820 119.087 62.261 1.00 0.00 O ATOM 1356 CB GLU A 93 57.651 122.084 61.790 1.00 0.00 C ATOM 1357 CG GLU A 93 56.816 123.358 61.923 1.00 0.00 C ATOM 1358 CD GLU A 93 56.826 124.126 60.597 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.936 123.487 59.562 1.00 0.00 O ATOM 1360 OE2 GLU A 93 56.724 125.341 60.640 1.00 0.00 O ATOM 0 H GLU A 93 58.981 122.901 63.657 1.00 0.00 H new ATOM 0 HA GLU A 93 56.619 121.130 63.455 1.00 0.00 H new ATOM 0 HB2 GLU A 93 58.675 122.335 61.515 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.252 121.456 60.993 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.792 123.106 62.200 1.00 0.00 H new ATOM 0 HG3 GLU A 93 57.216 123.985 62.720 1.00 0.00 H new ATOM 1367 N GLN A 94 59.423 119.726 63.633 1.00 0.00 N ATOM 1368 CA GLN A 94 60.107 118.401 63.540 1.00 0.00 C ATOM 1369 C GLN A 94 60.593 117.994 64.935 1.00 0.00 C ATOM 1370 O GLN A 94 61.050 118.835 65.689 1.00 0.00 O ATOM 1371 CB GLN A 94 61.293 118.621 62.590 1.00 0.00 C ATOM 1372 CG GLN A 94 62.203 119.729 63.129 1.00 0.00 C ATOM 1373 CD GLN A 94 63.379 119.935 62.171 1.00 0.00 C ATOM 1374 OE1 GLN A 94 63.759 119.030 61.454 1.00 0.00 O ATOM 1375 NE2 GLN A 94 63.974 121.096 62.128 1.00 0.00 N ATOM 0 H GLN A 94 59.882 120.407 64.238 1.00 0.00 H new ATOM 0 HA GLN A 94 59.453 117.610 63.174 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.859 117.696 62.482 1.00 0.00 H new ATOM 0 HB3 GLN A 94 60.929 118.889 61.598 1.00 0.00 H new ATOM 0 HG2 GLN A 94 61.640 120.656 63.236 1.00 0.00 H new ATOM 0 HG3 GLN A 94 62.570 119.463 64.120 1.00 0.00 H new ATOM 0 HE21 GLN A 94 63.655 121.855 62.730 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.758 121.244 61.493 1.00 0.00 H new ATOM 1384 N GLY A 95 60.502 116.733 65.302 1.00 27.89 N ATOM 1385 CA GLY A 95 60.975 116.349 66.671 1.00 28.05 C ATOM 1386 C GLY A 95 60.793 114.854 66.951 1.00 27.70 C ATOM 1387 O GLY A 95 60.131 114.136 66.228 1.00 25.89 O ATOM 0 H GLY A 95 60.131 115.974 64.730 1.00 27.89 H new ATOM 0 HA2 GLY A 95 62.028 116.610 66.776 1.00 28.05 H new ATOM 0 HA3 GLY A 95 60.428 116.925 67.417 1.00 28.05 H new ATOM 1391 N GLN A 96 61.389 114.399 68.027 1.00 0.00 N ATOM 1392 CA GLN A 96 61.286 112.960 68.423 1.00 0.00 C ATOM 1393 C GLN A 96 60.618 112.850 69.798 1.00 0.00 C ATOM 1394 O GLN A 96 61.003 113.530 70.731 1.00 0.00 O ATOM 1395 CB GLN A 96 62.735 112.461 68.521 1.00 0.00 C ATOM 1396 CG GLN A 96 63.477 112.723 67.208 1.00 0.00 C ATOM 1397 CD GLN A 96 64.657 111.757 67.086 1.00 0.00 C ATOM 1398 OE1 GLN A 96 65.338 111.485 68.056 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.929 111.222 65.927 1.00 0.00 N ATOM 0 H GLN A 96 61.950 114.973 68.656 1.00 0.00 H new ATOM 0 HA GLN A 96 60.697 112.382 67.711 1.00 0.00 H new ATOM 0 HB2 GLN A 96 63.246 112.965 69.342 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.745 111.394 68.746 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.800 112.595 66.364 1.00 0.00 H new ATOM 0 HG3 GLN A 96 63.832 113.753 67.178 1.00 0.00 H new ATOM 0 HE21 GLN A 96 64.358 111.450 65.113 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.713 110.576 65.835 1.00 0.00 H new ATOM 1408 N MET A 97 59.620 112.013 69.934 1.00 0.00 N ATOM 1409 CA MET A 97 58.928 111.881 71.255 1.00 0.00 C ATOM 1410 C MET A 97 58.924 110.421 71.731 1.00 0.00 C ATOM 1411 O MET A 97 58.338 109.557 71.109 1.00 0.00 O ATOM 1412 CB MET A 97 57.500 112.366 70.992 1.00 0.00 C ATOM 1413 CG MET A 97 56.675 112.281 72.281 1.00 0.00 C ATOM 1414 SD MET A 97 54.990 112.858 71.962 1.00 0.00 S ATOM 1415 CE MET A 97 55.233 114.571 72.491 1.00 0.00 C ATOM 0 H MET A 97 59.255 111.417 69.191 1.00 0.00 H new ATOM 0 HA MET A 97 59.425 112.455 72.037 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.517 113.393 70.628 1.00 0.00 H new ATOM 0 HB3 MET A 97 57.038 111.759 70.213 1.00 0.00 H new ATOM 0 HG2 MET A 97 56.656 111.254 72.645 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.136 112.887 73.061 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.674 115.237 71.834 1.00 0.00 H new ATOM 0 HE2 MET A 97 54.878 114.689 73.515 1.00 0.00 H new ATOM 0 HE3 MET A 97 56.293 114.820 72.443 1.00 0.00 H new ATOM 1425 N GLN A 98 59.561 110.148 72.845 1.00 0.00 N ATOM 1426 CA GLN A 98 59.593 108.761 73.396 1.00 0.00 C ATOM 1427 C GLN A 98 59.142 108.812 74.859 1.00 0.00 C ATOM 1428 O GLN A 98 59.320 109.820 75.520 1.00 0.00 O ATOM 1429 CB GLN A 98 61.060 108.336 73.309 1.00 0.00 C ATOM 1430 CG GLN A 98 61.199 106.885 73.771 1.00 0.00 C ATOM 1431 CD GLN A 98 62.666 106.459 73.684 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.553 107.225 74.004 1.00 0.00 O ATOM 1433 NE2 GLN A 98 62.960 105.261 73.259 1.00 0.00 N ATOM 0 H GLN A 98 60.066 110.838 73.401 1.00 0.00 H new ATOM 0 HA GLN A 98 58.943 108.069 72.861 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.419 108.439 72.285 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.676 108.987 73.930 1.00 0.00 H new ATOM 0 HG2 GLN A 98 60.840 106.782 74.795 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.583 106.234 73.150 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.215 104.618 72.990 1.00 0.00 H new ATOM 0 HE22 GLN A 98 63.935 104.967 73.195 1.00 0.00 H new ATOM 1442 N GLY A 99 58.554 107.758 75.375 1.00 29.62 N ATOM 1443 CA GLY A 99 58.097 107.804 76.802 1.00 28.62 C ATOM 1444 C GLY A 99 57.884 106.396 77.351 1.00 28.62 C ATOM 1445 O GLY A 99 58.024 105.417 76.647 1.00 29.22 O ATOM 0 H GLY A 99 58.373 106.884 74.882 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.837 108.327 77.408 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.169 108.371 76.873 1.00 28.62 H new ATOM 1449 N HIS A 100 57.547 106.294 78.614 1.00 0.00 N ATOM 1450 CA HIS A 100 57.315 104.952 79.224 1.00 0.00 C ATOM 1451 C HIS A 100 56.058 104.980 80.103 1.00 0.00 C ATOM 1452 O HIS A 100 55.643 106.021 80.578 1.00 0.00 O ATOM 1453 CB HIS A 100 58.557 104.671 80.071 1.00 0.00 C ATOM 1454 CG HIS A 100 59.760 104.522 79.182 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.344 105.601 78.538 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.505 103.426 78.825 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.391 105.136 77.834 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.535 103.815 77.974 1.00 0.00 N ATOM 0 H HIS A 100 57.423 107.084 79.247 1.00 0.00 H new ATOM 0 HA HIS A 100 57.159 104.181 78.469 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.716 105.484 80.780 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.411 103.763 80.656 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.320 102.414 79.155 1.00 0.00 H new ATOM 0 HE1 HIS A 100 62.037 105.755 77.229 1.00 0.00 H new ATOM 0 HE2 HIS A 100 62.246 103.220 77.549 1.00 0.00 H new ATOM 1466 N TYR A 101 55.454 103.841 80.318 1.00 25.77 N ATOM 1467 CA TYR A 101 54.223 103.778 81.162 1.00 25.79 C ATOM 1468 C TYR A 101 54.484 102.923 82.404 1.00 26.52 C ATOM 1469 O TYR A 101 54.914 101.792 82.292 1.00 27.05 O ATOM 1470 CB TYR A 101 53.159 103.108 80.284 1.00 24.67 C ATOM 1471 CG TYR A 101 52.499 104.114 79.359 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.104 105.376 79.834 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.277 103.774 78.019 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.489 106.287 78.968 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.664 104.687 77.156 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.269 105.944 77.630 1.00 23.58 C ATOM 1477 OH TYR A 101 50.661 106.843 76.778 1.00 25.91 O ATOM 0 H TYR A 101 55.763 102.944 79.942 1.00 25.77 H new ATOM 0 HA TYR A 101 53.911 104.766 81.500 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.617 102.314 79.695 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.404 102.641 80.916 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.275 105.643 80.867 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.580 102.805 77.652 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.184 107.256 79.333 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.495 104.423 76.123 1.00 24.17 H new ATOM 0 HH TYR A 101 49.770 107.067 77.120 1.00 25.91 H new ATOM 1487 N ASP A 102 54.195 103.423 83.579 1.00 0.00 N ATOM 1488 CA ASP A 102 54.395 102.597 84.806 1.00 0.00 C ATOM 1489 C ASP A 102 53.169 101.703 85.005 1.00 0.00 C ATOM 1490 O ASP A 102 52.054 102.170 85.138 1.00 0.00 O ATOM 1491 CB ASP A 102 54.559 103.587 85.960 1.00 0.00 C ATOM 1492 CG ASP A 102 55.899 104.314 85.828 1.00 0.00 C ATOM 1493 OD1 ASP A 102 56.839 103.703 85.347 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.962 105.471 86.211 1.00 0.00 O ATOM 0 H ASP A 102 53.831 104.362 83.740 1.00 0.00 H new ATOM 0 HA ASP A 102 55.268 101.947 84.740 1.00 0.00 H new ATOM 0 HB2 ASP A 102 53.741 104.307 85.953 1.00 0.00 H new ATOM 0 HB3 ASP A 102 54.512 103.061 86.913 1.00 0.00 H new ATOM 1499 N MET A 103 53.388 100.415 85.010 1.00 0.00 N ATOM 1500 CA MET A 103 52.268 99.446 85.179 1.00 0.00 C ATOM 1501 C MET A 103 52.529 98.541 86.385 1.00 0.00 C ATOM 1502 O MET A 103 53.647 98.426 86.853 1.00 0.00 O ATOM 1503 CB MET A 103 52.280 98.627 83.887 1.00 0.00 C ATOM 1504 CG MET A 103 50.885 98.059 83.626 1.00 0.00 C ATOM 1505 SD MET A 103 50.626 97.883 81.844 1.00 0.00 S ATOM 1506 CE MET A 103 50.208 99.611 81.506 1.00 0.00 C ATOM 0 H MET A 103 54.308 99.988 84.903 1.00 0.00 H new ATOM 0 HA MET A 103 51.311 99.937 85.354 1.00 0.00 H new ATOM 0 HB2 MET A 103 52.591 99.253 83.051 1.00 0.00 H new ATOM 0 HB3 MET A 103 53.005 97.817 83.965 1.00 0.00 H new ATOM 0 HG2 MET A 103 50.777 97.092 84.117 1.00 0.00 H new ATOM 0 HG3 MET A 103 50.128 98.718 84.051 1.00 0.00 H new ATOM 0 HE1 MET A 103 50.742 99.947 80.617 1.00 0.00 H new ATOM 0 HE2 MET A 103 49.134 99.700 81.340 1.00 0.00 H new ATOM 0 HE3 MET A 103 50.495 100.228 82.357 1.00 0.00 H new ATOM 1516 N VAL A 104 51.505 97.902 86.892 1.00 21.01 N ATOM 1517 CA VAL A 104 51.689 97.003 88.074 1.00 21.69 C ATOM 1518 C VAL A 104 50.794 95.766 87.953 1.00 22.60 C ATOM 1519 O VAL A 104 49.607 95.870 87.708 1.00 22.32 O ATOM 1520 CB VAL A 104 51.282 97.830 89.306 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.365 98.866 89.606 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.941 98.541 89.069 1.00 23.28 C ATOM 0 H VAL A 104 50.550 97.963 86.539 1.00 21.01 H new ATOM 0 HA VAL A 104 52.719 96.653 88.146 1.00 21.69 H new ATOM 0 HB VAL A 104 51.170 97.155 90.155 1.00 22.67 H new ATOM 0 HG11 VAL A 104 52.076 99.452 90.479 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.309 98.358 89.805 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.483 99.528 88.748 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.674 99.119 89.954 1.00 23.28 H new ATOM 0 HG22 VAL A 104 50.030 99.209 88.212 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.166 97.800 88.873 1.00 23.28 H new ATOM 1532 N ALA A 105 51.353 94.598 88.140 1.00 0.00 N ATOM 1533 CA ALA A 105 50.534 93.349 88.059 1.00 0.00 C ATOM 1534 C ALA A 105 49.651 93.232 89.301 1.00 0.00 C ATOM 1535 O ALA A 105 49.823 93.957 90.263 1.00 0.00 O ATOM 1536 CB ALA A 105 51.548 92.206 88.013 1.00 0.00 C ATOM 0 H ALA A 105 52.342 94.454 88.345 1.00 0.00 H new ATOM 0 HA ALA A 105 49.876 93.338 87.190 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.021 91.254 87.953 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.188 92.322 87.138 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.160 92.226 88.915 1.00 0.00 H new ATOM 1542 N ASP A 106 48.702 92.329 89.285 1.00 0.00 N ATOM 1543 CA ASP A 106 47.799 92.174 90.468 1.00 0.00 C ATOM 1544 C ASP A 106 48.580 91.629 91.667 1.00 0.00 C ATOM 1545 O ASP A 106 48.237 91.886 92.807 1.00 0.00 O ATOM 1546 CB ASP A 106 46.728 91.172 90.027 1.00 0.00 C ATOM 1547 CG ASP A 106 45.597 91.138 91.059 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.882 91.328 92.230 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.466 90.918 90.660 1.00 0.00 O ATOM 0 H ASP A 106 48.514 91.695 88.508 1.00 0.00 H new ATOM 0 HA ASP A 106 47.365 93.125 90.778 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.334 91.453 89.050 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.166 90.180 89.921 1.00 0.00 H new ATOM 1554 N ASP A 107 49.618 90.868 91.423 1.00 0.00 N ATOM 1555 CA ASP A 107 50.412 90.293 92.554 1.00 0.00 C ATOM 1556 C ASP A 107 51.321 91.353 93.198 1.00 0.00 C ATOM 1557 O ASP A 107 51.981 91.083 94.184 1.00 0.00 O ATOM 1558 CB ASP A 107 51.252 89.172 91.924 1.00 0.00 C ATOM 1559 CG ASP A 107 52.180 89.736 90.836 1.00 0.00 C ATOM 1560 OD1 ASP A 107 52.021 90.893 90.474 1.00 0.00 O ATOM 1561 OD2 ASP A 107 53.035 88.995 90.380 1.00 0.00 O ATOM 0 H ASP A 107 49.950 90.620 90.491 1.00 0.00 H new ATOM 0 HA ASP A 107 49.764 89.927 93.350 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.844 88.678 92.694 1.00 0.00 H new ATOM 0 HB3 ASP A 107 50.595 88.416 91.493 1.00 0.00 H new ATOM 1566 N GLY A 108 51.355 92.553 92.666 1.00 30.43 N ATOM 1567 CA GLY A 108 52.215 93.614 93.270 1.00 29.11 C ATOM 1568 C GLY A 108 53.528 93.764 92.490 1.00 29.35 C ATOM 1569 O GLY A 108 54.275 94.699 92.713 1.00 30.17 O ATOM 0 H GLY A 108 50.825 92.840 91.843 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.679 94.563 93.274 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.431 93.365 94.309 1.00 29.11 H new ATOM 1573 N THR A 109 53.827 92.859 91.582 1.00 0.00 N ATOM 1574 CA THR A 109 55.105 92.975 90.804 1.00 0.00 C ATOM 1575 C THR A 109 55.150 94.317 90.064 1.00 0.00 C ATOM 1576 O THR A 109 54.176 94.728 89.460 1.00 0.00 O ATOM 1577 CB THR A 109 55.079 91.814 89.807 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.939 90.589 90.512 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.381 91.796 89.004 1.00 0.00 C ATOM 0 H THR A 109 53.247 92.053 91.349 1.00 0.00 H new ATOM 0 HA THR A 109 55.983 92.934 91.448 1.00 0.00 H new ATOM 0 HB THR A 109 54.238 91.941 89.126 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.550 89.913 89.919 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.360 90.968 88.295 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.487 92.736 88.462 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.225 91.671 89.682 1.00 0.00 H new ATOM 1587 N GLU A 110 56.262 95.007 90.114 1.00 0.00 N ATOM 1588 CA GLU A 110 56.351 96.327 89.419 1.00 0.00 C ATOM 1589 C GLU A 110 57.097 96.192 88.088 1.00 0.00 C ATOM 1590 O GLU A 110 58.083 95.488 87.984 1.00 0.00 O ATOM 1591 CB GLU A 110 57.120 97.235 90.381 1.00 0.00 C ATOM 1592 CG GLU A 110 56.247 97.547 91.597 1.00 0.00 C ATOM 1593 CD GLU A 110 57.015 98.454 92.558 1.00 0.00 C ATOM 1594 OE1 GLU A 110 57.781 97.931 93.351 1.00 0.00 O ATOM 1595 OE2 GLU A 110 56.824 99.658 92.487 1.00 0.00 O ATOM 0 H GLU A 110 57.108 94.715 90.604 1.00 0.00 H new ATOM 0 HA GLU A 110 55.366 96.727 89.181 1.00 0.00 H new ATOM 0 HB2 GLU A 110 58.043 96.748 90.698 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.404 98.159 89.877 1.00 0.00 H new ATOM 0 HG2 GLU A 110 55.324 98.033 91.280 1.00 0.00 H new ATOM 0 HG3 GLU A 110 55.963 96.623 92.101 1.00 0.00 H new ATOM 1602 N PHE A 111 56.630 96.875 87.075 1.00 27.41 N ATOM 1603 CA PHE A 111 57.296 96.812 85.741 1.00 27.50 C ATOM 1604 C PHE A 111 56.802 97.970 84.860 1.00 28.03 C ATOM 1605 O PHE A 111 55.654 98.365 84.924 1.00 27.72 O ATOM 1606 CB PHE A 111 56.921 95.436 85.156 1.00 26.12 C ATOM 1607 CG PHE A 111 55.461 95.398 84.748 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.473 95.085 85.690 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.102 95.673 83.423 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.127 95.050 85.305 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.759 95.637 83.039 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.771 95.326 83.979 1.00 23.73 C ATOM 0 H PHE A 111 55.809 97.479 87.116 1.00 27.41 H new ATOM 0 HA PHE A 111 58.379 96.916 85.804 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.549 95.221 84.292 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.116 94.658 85.894 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.749 94.871 86.712 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.864 95.913 82.697 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.364 94.810 86.030 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.484 95.849 82.016 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.733 95.299 83.682 1.00 23.73 H new ATOM 1622 N ILE A 112 57.673 98.518 84.055 1.00 0.00 N ATOM 1623 CA ILE A 112 57.280 99.661 83.178 1.00 0.00 C ATOM 1624 C ILE A 112 57.033 99.179 81.744 1.00 0.00 C ATOM 1625 O ILE A 112 57.541 98.157 81.324 1.00 0.00 O ATOM 1626 CB ILE A 112 58.470 100.627 83.227 1.00 0.00 C ATOM 1627 CG1 ILE A 112 58.705 101.079 84.672 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.175 101.854 82.361 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.030 101.838 84.761 1.00 0.00 C ATOM 0 H ILE A 112 58.645 98.222 83.966 1.00 0.00 H new ATOM 0 HA ILE A 112 56.356 100.134 83.511 1.00 0.00 H new ATOM 0 HB ILE A 112 59.358 100.119 82.851 1.00 0.00 H new ATOM 0 HG12 ILE A 112 57.885 101.717 85.002 1.00 0.00 H new ATOM 0 HG13 ILE A 112 58.724 100.215 85.336 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.023 102.538 82.398 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.007 101.540 81.331 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.285 102.359 82.736 1.00 0.00 H new ATOM 0 HD11 ILE A 112 60.197 102.159 85.789 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.845 101.185 84.448 1.00 0.00 H new ATOM 0 HD13 ILE A 112 59.994 102.711 84.109 1.00 0.00 H new ATOM 1641 N ALA A 113 56.271 99.927 80.990 1.00 0.00 N ATOM 1642 CA ALA A 113 55.994 99.553 79.574 1.00 0.00 C ATOM 1643 C ALA A 113 56.509 100.670 78.654 1.00 0.00 C ATOM 1644 O ALA A 113 55.833 101.659 78.447 1.00 0.00 O ATOM 1645 CB ALA A 113 54.473 99.426 79.479 1.00 0.00 C ATOM 0 H ALA A 113 55.825 100.790 81.300 1.00 0.00 H new ATOM 0 HA ALA A 113 56.484 98.626 79.275 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.194 99.152 78.462 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.128 98.657 80.170 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.011 100.379 79.738 1.00 0.00 H new ATOM 1651 N PRO A 114 57.708 100.482 78.151 1.00 31.26 N ATOM 1652 CA PRO A 114 58.296 101.531 77.268 1.00 32.26 C ATOM 1653 C PRO A 114 57.428 101.801 76.035 1.00 31.77 C ATOM 1654 O PRO A 114 56.848 100.913 75.445 1.00 33.24 O ATOM 1655 CB PRO A 114 59.648 100.958 76.851 1.00 32.64 C ATOM 1656 CG PRO A 114 59.489 99.484 76.977 1.00 33.31 C ATOM 1657 CD PRO A 114 58.526 99.253 78.106 1.00 32.61 C ATOM 0 HA PRO A 114 58.376 102.488 77.784 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.901 101.243 75.830 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.449 101.326 77.492 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.110 99.054 76.050 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.447 99.007 77.181 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.909 98.372 77.928 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.050 99.090 79.048 1.00 32.61 H new ATOM 1665 N ILE A 115 57.373 103.049 75.649 1.00 30.59 N ATOM 1666 CA ILE A 115 56.586 103.456 74.447 1.00 30.04 C ATOM 1667 C ILE A 115 57.562 103.816 73.329 1.00 30.45 C ATOM 1668 O ILE A 115 58.408 104.682 73.489 1.00 30.15 O ATOM 1669 CB ILE A 115 55.780 104.692 74.867 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.923 104.372 76.098 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.865 105.112 73.715 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.459 105.678 76.746 1.00 28.50 C ATOM 0 H ILE A 115 57.848 103.816 76.124 1.00 30.59 H new ATOM 0 HA ILE A 115 55.927 102.665 74.090 1.00 30.04 H new ATOM 0 HB ILE A 115 56.470 105.500 75.112 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.061 103.770 75.809 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.498 103.783 76.812 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.290 105.990 74.009 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.469 105.350 72.839 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.184 104.296 73.475 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.850 105.453 77.621 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.328 106.263 77.049 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.869 106.250 76.030 1.00 28.50 H new ATOM 1684 N ALA A 116 57.455 103.151 72.203 1.00 30.78 N ATOM 1685 CA ALA A 116 58.384 103.426 71.055 1.00 29.78 C ATOM 1686 C ALA A 116 58.481 104.926 70.762 1.00 29.57 C ATOM 1687 O ALA A 116 57.573 105.683 71.048 1.00 28.51 O ATOM 1688 CB ALA A 116 57.765 102.695 69.861 1.00 27.76 C ATOM 0 H ALA A 116 56.761 102.425 72.027 1.00 30.78 H new ATOM 0 HA ALA A 116 59.397 103.089 71.274 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.387 102.847 68.979 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.701 101.629 70.080 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.766 103.087 69.672 1.00 27.76 H new ATOM 1694 N ALA A 117 59.580 105.353 70.198 1.00 0.00 N ATOM 1695 CA ALA A 117 59.755 106.798 69.884 1.00 0.00 C ATOM 1696 C ALA A 117 59.464 107.058 68.406 1.00 0.00 C ATOM 1697 O ALA A 117 60.150 106.558 67.533 1.00 0.00 O ATOM 1698 CB ALA A 117 61.223 107.090 70.194 1.00 0.00 C ATOM 0 H ALA A 117 60.367 104.758 69.941 1.00 0.00 H new ATOM 0 HA ALA A 117 59.078 107.430 70.458 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.437 108.139 69.989 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.422 106.878 71.244 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.859 106.461 69.570 1.00 0.00 H new ATOM 1704 N PHE A 118 58.465 107.851 68.120 1.00 29.64 N ATOM 1705 CA PHE A 118 58.137 108.170 66.700 1.00 29.08 C ATOM 1706 C PHE A 118 58.578 109.602 66.402 1.00 30.66 C ATOM 1707 O PHE A 118 58.925 110.345 67.304 1.00 30.55 O ATOM 1708 CB PHE A 118 56.616 108.013 66.566 1.00 25.73 C ATOM 1709 CG PHE A 118 55.902 108.908 67.555 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.673 110.253 67.244 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.463 108.387 68.779 1.00 22.99 C ATOM 1712 CE1 PHE A 118 55.005 111.079 68.159 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.796 109.213 69.692 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.568 110.558 69.382 1.00 21.66 C ATOM 0 H PHE A 118 57.860 108.293 68.812 1.00 29.64 H new ATOM 0 HA PHE A 118 58.646 107.514 65.994 1.00 29.08 H new ATOM 0 HB2 PHE A 118 56.307 108.263 65.551 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.335 106.974 66.738 1.00 25.73 H new ATOM 0 HD1 PHE A 118 56.011 110.654 66.300 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.639 107.349 69.018 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.828 112.117 67.920 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.457 108.812 70.636 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.054 111.195 70.087 1.00 21.66 H new ATOM 1724 N VAL A 119 58.577 110.001 65.157 1.00 0.00 N ATOM 1725 CA VAL A 119 59.007 111.391 64.821 1.00 0.00 C ATOM 1726 C VAL A 119 57.814 112.207 64.318 1.00 0.00 C ATOM 1727 O VAL A 119 56.856 111.670 63.795 1.00 0.00 O ATOM 1728 CB VAL A 119 60.061 111.232 63.719 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.586 112.609 63.301 1.00 0.00 C ATOM 1730 CG2 VAL A 119 61.227 110.388 64.242 1.00 0.00 C ATOM 0 H VAL A 119 58.298 109.427 64.361 1.00 0.00 H new ATOM 0 HA VAL A 119 59.407 111.919 65.687 1.00 0.00 H new ATOM 0 HB VAL A 119 59.606 110.739 62.860 1.00 0.00 H new ATOM 0 HG11 VAL A 119 61.335 112.491 62.518 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.761 113.214 62.926 1.00 0.00 H new ATOM 0 HG13 VAL A 119 61.036 113.103 64.162 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.975 110.276 63.458 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.676 110.882 65.104 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.861 109.405 64.537 1.00 0.00 H new ATOM 1740 N LEU A 120 57.877 113.502 64.471 1.00 36.62 N ATOM 1741 CA LEU A 120 56.764 114.376 64.005 1.00 37.66 C ATOM 1742 C LEU A 120 57.247 115.223 62.829 1.00 38.64 C ATOM 1743 O LEU A 120 58.309 115.810 62.878 1.00 37.83 O ATOM 1744 CB LEU A 120 56.403 115.274 65.198 1.00 38.14 C ATOM 1745 CG LEU A 120 55.683 114.464 66.285 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.664 113.515 66.979 1.00 39.15 C ATOM 1747 CD2 LEU A 120 55.090 115.424 67.319 1.00 37.30 C ATOM 0 H LEU A 120 58.659 113.995 64.903 1.00 36.62 H new ATOM 0 HA LEU A 120 55.901 113.800 63.672 1.00 37.66 H new ATOM 0 HB2 LEU A 120 57.307 115.722 65.610 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.765 116.093 64.864 1.00 38.14 H new ATOM 0 HG LEU A 120 54.890 113.876 65.823 1.00 37.94 H new ATOM 0 HD11 LEU A 120 56.139 112.947 67.747 1.00 39.15 H new ATOM 0 HD12 LEU A 120 57.087 112.828 66.245 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.466 114.093 67.439 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.577 114.853 68.093 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.889 116.012 67.770 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.380 116.092 66.831 1.00 37.30 H new ATOM 1759 N SER A 121 56.477 115.281 61.771 1.00 0.00 N ATOM 1760 CA SER A 121 56.886 116.084 60.581 1.00 0.00 C ATOM 1761 C SER A 121 55.649 116.524 59.793 1.00 0.00 C ATOM 1762 O SER A 121 54.684 115.794 59.677 1.00 0.00 O ATOM 1763 CB SER A 121 57.750 115.143 59.744 1.00 0.00 C ATOM 1764 OG SER A 121 58.545 115.908 58.848 1.00 0.00 O ATOM 0 H SER A 121 55.580 114.804 61.681 1.00 0.00 H new ATOM 0 HA SER A 121 57.425 116.990 60.858 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.388 114.543 60.393 1.00 0.00 H new ATOM 0 HB3 SER A 121 57.119 114.450 59.188 1.00 0.00 H new ATOM 0 HG SER A 121 59.102 115.307 58.310 1.00 0.00 H new