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 51 HIS : no HE2:sc= -2.12 K(o=-4.8,f=-11!) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.0547 K(o=-4.8,f=-6.8!) USER MOD Set 1.3: A 100 HIS : no HE2:sc= -2.67 K(o=-4.8,f=-5.7!) USER MOD Set 2.1: A 33 TYR OH : rot 81:sc= 0.574 USER MOD Set 2.2: A 86 SER OG : rot -122:sc= 1.59 USER MOD Set 3.1: A 84 TYR OH : rot 180:sc= -0.47 USER MOD Set 3.2: A 101 TYR OH : rot -68:sc= 0.182 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 1.06 USER MOD Set 4.2: A 109 THR OG1 : rot 177:sc= 1.3 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= -0.0986 K(o=-0.099,f=-2.2!) USER MOD Single : A 22 SER OG : rot 102:sc= -2.49! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -87:sc= 0.642 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.563 F(o=-1.3,f=-0.56) USER MOD Single : A 39 ASN : amide:sc= -0.67 K(o=-0.67,f=-8.4!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 58 ASN : amide:sc=-0.00824 X(o=-0.0082,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-4.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0028 K(o=-0.0028,f=-0.86) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 97 MET CE :methyl 138:sc= -1.94 (180deg=-5.07!) USER MOD Single : A 98 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.6) USER MOD Single : A 103 MET CE :methyl 164:sc= -0.56 (180deg=-1.25) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.380 86.547 81.715 1.00 0.00 N ATOM 2 CA ARG A 6 54.139 86.846 82.489 1.00 0.00 C ATOM 3 C ARG A 6 53.866 88.356 82.508 1.00 0.00 C ATOM 4 O ARG A 6 52.750 88.785 82.747 1.00 0.00 O ATOM 5 CB ARG A 6 54.420 86.334 83.902 1.00 0.00 C ATOM 6 CG ARG A 6 54.458 84.804 83.892 1.00 0.00 C ATOM 7 CD ARG A 6 54.738 84.290 85.307 1.00 0.00 C ATOM 8 NE ARG A 6 56.083 84.827 85.652 1.00 0.00 N ATOM 9 CZ ARG A 6 56.421 84.986 86.901 1.00 0.00 C ATOM 10 NH1 ARG A 6 55.785 85.851 87.644 1.00 0.00 N ATOM 11 NH2 ARG A 6 57.396 84.282 87.409 1.00 0.00 N ATOM 0 HA ARG A 6 53.260 86.375 82.050 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.370 86.730 84.261 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.649 86.685 84.588 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.508 84.409 83.531 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.230 84.453 83.207 1.00 0.00 H new ATOM 0 HD2 ARG A 6 53.982 84.638 86.010 1.00 0.00 H new ATOM 0 HD3 ARG A 6 54.727 83.201 85.341 1.00 0.00 H new ATOM 0 HE ARG A 6 56.740 85.071 84.911 1.00 0.00 H new ATOM 0 HH11 ARG A 6 55.024 86.402 87.247 1.00 0.00 H new ATOM 0 HH12 ARG A 6 56.049 85.976 88.621 1.00 0.00 H new ATOM 0 HH21 ARG A 6 57.894 83.607 86.829 1.00 0.00 H new ATOM 0 HH22 ARG A 6 57.660 84.407 88.386 1.00 0.00 H new ATOM 25 N TYR A 7 54.872 89.164 82.259 1.00 31.93 N ATOM 26 CA TYR A 7 54.668 90.644 82.264 1.00 29.59 C ATOM 27 C TYR A 7 54.981 91.226 80.882 1.00 29.68 C ATOM 28 O TYR A 7 56.123 91.293 80.468 1.00 30.50 O ATOM 29 CB TYR A 7 55.649 91.182 83.309 1.00 27.35 C ATOM 30 CG TYR A 7 55.329 90.591 84.661 1.00 25.69 C ATOM 31 CD1 TYR A 7 54.072 90.806 85.241 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.287 89.823 85.335 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.775 90.256 86.493 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.990 89.274 86.587 1.00 22.47 C ATOM 35 CZ TYR A 7 54.733 89.490 87.167 1.00 22.87 C ATOM 36 OH TYR A 7 54.440 88.948 88.401 1.00 25.71 O ATOM 0 H TYR A 7 55.823 88.860 82.053 1.00 31.93 H new ATOM 0 HA TYR A 7 53.639 90.916 82.498 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.671 90.932 83.025 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.588 92.269 83.353 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.332 91.397 84.722 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.256 89.655 84.888 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.806 90.423 86.939 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.730 88.683 87.107 1.00 22.47 H new ATOM 0 HH TYR A 7 55.214 88.445 88.729 1.00 25.71 H new ATOM 46 N ARG A 8 53.968 91.644 80.171 1.00 0.00 N ATOM 47 CA ARG A 8 54.174 92.225 78.809 1.00 0.00 C ATOM 48 C ARG A 8 53.084 93.256 78.506 1.00 0.00 C ATOM 49 O ARG A 8 51.914 93.035 78.749 1.00 0.00 O ATOM 50 CB ARG A 8 54.079 91.043 77.843 1.00 0.00 C ATOM 51 CG ARG A 8 55.303 90.139 78.010 1.00 0.00 C ATOM 52 CD ARG A 8 55.307 89.076 76.910 1.00 0.00 C ATOM 53 NE ARG A 8 56.527 88.263 77.167 1.00 0.00 N ATOM 54 CZ ARG A 8 56.414 87.024 77.561 1.00 0.00 C ATOM 55 NH1 ARG A 8 56.018 86.760 78.776 1.00 0.00 N ATOM 56 NH2 ARG A 8 56.698 86.050 76.741 1.00 0.00 N ATOM 0 H ARG A 8 52.996 91.608 80.478 1.00 0.00 H new ATOM 0 HA ARG A 8 55.132 92.738 78.723 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.168 90.476 78.035 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.019 91.404 76.816 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.216 90.732 77.960 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.285 89.663 78.990 1.00 0.00 H new ATOM 0 HD2 ARG A 8 54.407 88.462 76.951 1.00 0.00 H new ATOM 0 HD3 ARG A 8 55.337 89.532 75.920 1.00 0.00 H new ATOM 0 HE ARG A 8 57.451 88.674 77.035 1.00 0.00 H new ATOM 0 HH11 ARG A 8 55.797 87.522 79.417 1.00 0.00 H new ATOM 0 HH12 ARG A 8 55.929 85.792 79.084 1.00 0.00 H new ATOM 0 HH21 ARG A 8 57.008 86.257 75.792 1.00 0.00 H new ATOM 0 HH22 ARG A 8 56.610 85.082 77.049 1.00 0.00 H new ATOM 70 N VAL A 9 53.476 94.385 77.974 1.00 0.00 N ATOM 71 CA VAL A 9 52.498 95.463 77.638 1.00 0.00 C ATOM 72 C VAL A 9 53.019 96.267 76.442 1.00 0.00 C ATOM 73 O VAL A 9 54.036 96.929 76.516 1.00 0.00 O ATOM 74 CB VAL A 9 52.418 96.348 78.889 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.432 97.499 78.649 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.940 95.514 80.082 1.00 0.00 C ATOM 0 H VAL A 9 54.447 94.609 77.755 1.00 0.00 H new ATOM 0 HA VAL A 9 51.518 95.068 77.368 1.00 0.00 H new ATOM 0 HB VAL A 9 53.407 96.755 79.100 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.379 98.124 79.540 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.771 98.099 77.805 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.444 97.093 78.432 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.884 96.146 80.969 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.954 95.103 79.867 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.641 94.699 80.261 1.00 0.00 H new ATOM 86 N GLU A 10 52.310 96.221 75.347 1.00 0.00 N ATOM 87 CA GLU A 10 52.710 96.980 74.126 1.00 0.00 C ATOM 88 C GLU A 10 51.779 98.175 73.916 1.00 0.00 C ATOM 89 O GLU A 10 50.570 98.054 73.950 1.00 0.00 O ATOM 90 CB GLU A 10 52.554 95.981 72.978 1.00 0.00 C ATOM 91 CG GLU A 10 53.636 94.904 73.088 1.00 0.00 C ATOM 92 CD GLU A 10 53.480 93.905 71.939 1.00 0.00 C ATOM 93 OE1 GLU A 10 52.669 93.004 72.071 1.00 0.00 O ATOM 94 OE2 GLU A 10 54.174 94.060 70.948 1.00 0.00 O ATOM 0 H GLU A 10 51.453 95.678 75.245 1.00 0.00 H new ATOM 0 HA GLU A 10 53.724 97.374 74.198 1.00 0.00 H new ATOM 0 HB2 GLU A 10 51.565 95.523 73.012 1.00 0.00 H new ATOM 0 HB3 GLU A 10 52.634 96.496 72.020 1.00 0.00 H new ATOM 0 HG2 GLU A 10 54.625 95.362 73.054 1.00 0.00 H new ATOM 0 HG3 GLU A 10 53.556 94.389 74.045 1.00 0.00 H new ATOM 101 N VAL A 11 52.350 99.331 73.700 1.00 26.88 N ATOM 102 CA VAL A 11 51.530 100.560 73.481 1.00 26.83 C ATOM 103 C VAL A 11 51.823 101.129 72.089 1.00 27.58 C ATOM 104 O VAL A 11 52.963 101.195 71.669 1.00 28.21 O ATOM 105 CB VAL A 11 51.972 101.540 74.575 1.00 26.28 C ATOM 106 CG1 VAL A 11 51.187 102.851 74.445 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.708 100.925 75.955 1.00 25.75 C ATOM 0 H VAL A 11 53.359 99.478 73.666 1.00 26.88 H new ATOM 0 HA VAL A 11 50.459 100.365 73.532 1.00 26.83 H new ATOM 0 HB VAL A 11 53.037 101.743 74.464 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.504 103.544 75.224 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.377 103.293 73.467 1.00 26.50 H new ATOM 0 HG13 VAL A 11 50.121 102.649 74.551 1.00 26.50 H new ATOM 0 HG21 VAL A 11 52.023 101.623 76.731 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.643 100.718 76.063 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.270 99.996 76.053 1.00 25.75 H new ATOM 117 N GLU A 12 50.808 101.542 71.374 1.00 0.00 N ATOM 118 CA GLU A 12 51.026 102.110 70.009 1.00 0.00 C ATOM 119 C GLU A 12 50.424 103.516 69.926 1.00 0.00 C ATOM 120 O GLU A 12 49.342 103.769 70.421 1.00 0.00 O ATOM 121 CB GLU A 12 50.296 101.156 69.061 1.00 0.00 C ATOM 122 CG GLU A 12 51.046 99.822 69.001 1.00 0.00 C ATOM 123 CD GLU A 12 50.324 98.854 68.053 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.151 99.066 67.789 1.00 0.00 O ATOM 125 OE2 GLU A 12 50.962 97.914 67.607 1.00 0.00 O ATOM 0 H GLU A 12 49.835 101.510 71.677 1.00 0.00 H new ATOM 0 HA GLU A 12 52.083 102.199 69.760 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.274 100.996 69.405 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.232 101.594 68.065 1.00 0.00 H new ATOM 0 HG2 GLU A 12 52.068 99.985 68.658 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.110 99.387 69.998 1.00 0.00 H new ATOM 132 N VAL A 13 51.128 104.430 69.310 1.00 26.55 N ATOM 133 CA VAL A 13 50.619 105.830 69.192 1.00 26.45 C ATOM 134 C VAL A 13 50.681 106.305 67.736 1.00 27.95 C ATOM 135 O VAL A 13 51.649 106.078 67.034 1.00 27.94 O ATOM 136 CB VAL A 13 51.551 106.664 70.079 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.146 108.139 70.018 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.452 106.173 71.526 1.00 26.97 C ATOM 0 H VAL A 13 52.039 104.266 68.881 1.00 26.55 H new ATOM 0 HA VAL A 13 49.577 105.917 69.500 1.00 26.45 H new ATOM 0 HB VAL A 13 52.575 106.556 69.722 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.812 108.726 70.650 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.216 108.493 68.990 1.00 24.91 H new ATOM 0 HG13 VAL A 13 50.121 108.250 70.370 1.00 24.91 H new ATOM 0 HG21 VAL A 13 52.114 106.765 72.157 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.425 106.279 71.877 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.746 105.124 71.575 1.00 26.97 H new ATOM 148 N SER A 14 49.642 106.967 67.286 1.00 0.00 N ATOM 149 CA SER A 14 49.613 107.472 65.881 1.00 0.00 C ATOM 150 C SER A 14 49.353 108.990 65.869 1.00 0.00 C ATOM 151 O SER A 14 48.242 109.426 66.105 1.00 0.00 O ATOM 152 CB SER A 14 48.462 106.723 65.211 1.00 0.00 C ATOM 153 OG SER A 14 48.356 107.141 63.857 1.00 0.00 O ATOM 0 H SER A 14 48.810 107.179 67.836 1.00 0.00 H new ATOM 0 HA SER A 14 50.558 107.307 65.363 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.635 105.648 65.259 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.529 106.920 65.739 1.00 0.00 H new ATOM 0 HG SER A 14 47.620 106.661 63.423 1.00 0.00 H new ATOM 159 N PRO A 15 50.394 109.745 65.601 1.00 28.75 N ATOM 160 CA PRO A 15 50.228 111.229 65.573 1.00 30.20 C ATOM 161 C PRO A 15 49.676 111.703 64.223 1.00 33.00 C ATOM 162 O PRO A 15 49.701 110.994 63.236 1.00 32.76 O ATOM 163 CB PRO A 15 51.641 111.765 65.778 1.00 29.34 C ATOM 164 CG PRO A 15 52.538 110.678 65.295 1.00 29.59 C ATOM 165 CD PRO A 15 51.823 109.379 65.546 1.00 28.91 C ATOM 0 HA PRO A 15 49.523 111.575 66.329 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.799 112.686 65.217 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.828 111.995 66.827 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.756 110.800 64.234 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.492 110.702 65.822 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.018 108.659 64.751 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.151 108.920 66.479 1.00 28.91 H new ATOM 173 N ARG A 16 49.178 112.913 64.192 1.00 34.77 N ATOM 174 CA ARG A 16 48.615 113.487 62.931 1.00 37.64 C ATOM 175 C ARG A 16 48.642 115.020 63.006 1.00 38.99 C ATOM 176 O ARG A 16 48.236 115.618 63.985 1.00 38.96 O ATOM 177 CB ARG A 16 47.176 112.965 62.836 1.00 40.22 C ATOM 178 CG ARG A 16 46.384 113.364 64.083 1.00 43.41 C ATOM 179 CD ARG A 16 44.959 112.817 63.978 1.00 47.90 C ATOM 180 NE ARG A 16 44.385 112.976 65.343 1.00 51.85 N ATOM 181 CZ ARG A 16 43.610 112.049 65.837 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.479 111.765 65.252 1.00 54.10 N ATOM 183 NH2 ARG A 16 43.968 111.404 66.914 1.00 53.27 N ATOM 0 H ARG A 16 49.137 113.537 64.998 1.00 34.77 H new ATOM 0 HA ARG A 16 49.191 113.196 62.052 1.00 37.64 H new ATOM 0 HB2 ARG A 16 46.693 113.368 61.946 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.181 111.880 62.732 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.870 112.973 64.977 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.362 114.449 64.181 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.378 113.368 63.239 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.959 111.772 63.669 1.00 47.90 H new ATOM 0 HE ARG A 16 44.597 113.809 65.892 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.201 112.267 64.409 1.00 54.10 H new ATOM 0 HH12 ARG A 16 41.873 111.041 65.638 1.00 54.10 H new ATOM 0 HH21 ARG A 16 44.854 111.624 67.370 1.00 53.27 H new ATOM 0 HH22 ARG A 16 43.362 110.680 67.300 1.00 53.27 H new ATOM 197 N PHE A 17 49.152 115.648 61.977 1.00 0.00 N ATOM 198 CA PHE A 17 49.254 117.143 61.961 1.00 0.00 C ATOM 199 C PHE A 17 47.870 117.801 62.053 1.00 0.00 C ATOM 200 O PHE A 17 46.923 117.374 61.420 1.00 0.00 O ATOM 201 CB PHE A 17 49.908 117.475 60.614 1.00 0.00 C ATOM 202 CG PHE A 17 50.140 118.965 60.509 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.208 119.557 61.192 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.286 119.753 59.728 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.424 120.937 61.094 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.502 121.133 59.629 1.00 0.00 C ATOM 207 CZ PHE A 17 50.571 121.724 60.312 1.00 0.00 C ATOM 0 H PHE A 17 49.506 115.187 61.139 1.00 0.00 H new ATOM 0 HA PHE A 17 49.826 117.514 62.811 1.00 0.00 H new ATOM 0 HB2 PHE A 17 50.855 116.943 60.518 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.269 117.139 59.797 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.866 118.949 61.795 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.461 119.297 59.202 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.248 121.394 61.622 1.00 0.00 H new ATOM 0 HE2 PHE A 17 48.844 121.741 59.026 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.738 122.788 60.236 1.00 0.00 H new ATOM 217 N LEU A 18 47.761 118.850 62.830 1.00 0.00 N ATOM 218 CA LEU A 18 46.455 119.565 62.967 1.00 0.00 C ATOM 219 C LEU A 18 46.572 120.986 62.399 1.00 0.00 C ATOM 220 O LEU A 18 46.765 121.949 63.112 1.00 0.00 O ATOM 221 CB LEU A 18 46.157 119.591 64.467 1.00 0.00 C ATOM 222 CG LEU A 18 44.643 119.565 64.690 1.00 0.00 C ATOM 223 CD1 LEU A 18 44.071 118.237 64.188 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.348 119.710 66.185 1.00 0.00 C ATOM 0 H LEU A 18 48.525 119.244 63.378 1.00 0.00 H new ATOM 0 HA LEU A 18 45.654 119.072 62.416 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.621 118.734 64.955 1.00 0.00 H new ATOM 0 HB3 LEU A 18 46.586 120.486 64.918 1.00 0.00 H new ATOM 0 HG LEU A 18 44.183 120.388 64.143 1.00 0.00 H new ATOM 0 HD11 LEU A 18 42.993 118.221 64.348 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.281 118.129 63.124 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.531 117.413 64.734 1.00 0.00 H new ATOM 0 HD21 LEU A 18 43.270 119.692 66.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 44.810 118.886 66.729 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.753 120.655 66.546 1.00 0.00 H new ATOM 236 N ALA A 19 46.435 121.098 61.105 1.00 0.00 N ATOM 237 CA ALA A 19 46.511 122.430 60.420 1.00 0.00 C ATOM 238 C ALA A 19 45.356 123.345 60.838 1.00 0.00 C ATOM 239 O ALA A 19 45.525 124.546 60.951 1.00 0.00 O ATOM 240 CB ALA A 19 46.379 122.101 58.929 1.00 0.00 C ATOM 0 H ALA A 19 46.270 120.310 60.479 1.00 0.00 H new ATOM 0 HA ALA A 19 47.433 122.953 60.672 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.424 123.022 58.348 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.193 121.442 58.628 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.425 121.605 58.749 1.00 0.00 H new ATOM 246 N HIS A 20 44.186 122.799 61.051 1.00 0.00 N ATOM 247 CA HIS A 20 43.022 123.658 61.442 1.00 0.00 C ATOM 248 C HIS A 20 43.211 124.224 62.853 1.00 0.00 C ATOM 249 O HIS A 20 42.621 125.230 63.204 1.00 0.00 O ATOM 250 CB HIS A 20 41.797 122.745 61.378 1.00 0.00 C ATOM 251 CG HIS A 20 41.496 122.408 59.944 1.00 0.00 C ATOM 252 ND1 HIS A 20 42.046 121.303 59.313 1.00 0.00 N ATOM 253 CD2 HIS A 20 40.703 123.020 59.006 1.00 0.00 C ATOM 254 CE1 HIS A 20 41.580 121.285 58.050 1.00 0.00 C ATOM 255 NE2 HIS A 20 40.758 122.309 57.811 1.00 0.00 N ATOM 0 H HIS A 20 43.985 121.802 60.972 1.00 0.00 H new ATOM 0 HA HIS A 20 42.916 124.517 60.779 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.980 121.833 61.946 1.00 0.00 H new ATOM 0 HB3 HIS A 20 40.939 123.238 61.835 1.00 0.00 H new ATOM 0 HD2 HIS A 20 40.124 123.917 59.170 1.00 0.00 H new ATOM 0 HE1 HIS A 20 41.840 120.533 57.319 1.00 0.00 H new ATOM 0 HE2 HIS A 20 40.274 122.524 56.939 1.00 0.00 H new ATOM 263 N GLN A 21 44.022 123.593 63.663 1.00 51.13 N ATOM 264 CA GLN A 21 44.241 124.103 65.051 1.00 51.59 C ATOM 265 C GLN A 21 45.716 124.453 65.273 1.00 51.55 C ATOM 266 O GLN A 21 46.191 124.466 66.393 1.00 51.24 O ATOM 267 CB GLN A 21 43.822 122.950 65.963 1.00 52.27 C ATOM 268 CG GLN A 21 43.652 123.465 67.395 1.00 52.27 C ATOM 269 CD GLN A 21 42.998 122.381 68.255 1.00 52.27 C ATOM 270 OE1 GLN A 21 42.322 121.509 67.746 1.00 52.37 O ATOM 271 NE2 GLN A 21 43.172 122.400 69.548 1.00 51.79 N ATOM 0 H GLN A 21 44.541 122.748 63.424 1.00 51.13 H new ATOM 0 HA GLN A 21 43.673 125.012 65.247 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.888 122.514 65.609 1.00 52.27 H new ATOM 0 HB3 GLN A 21 44.573 122.160 65.936 1.00 52.27 H new ATOM 0 HG2 GLN A 21 44.621 123.739 67.812 1.00 52.27 H new ATOM 0 HG3 GLN A 21 43.038 124.366 67.398 1.00 52.27 H new ATOM 0 HE21 GLN A 21 43.739 123.132 69.976 1.00 51.79 H new ATOM 0 HE22 GLN A 21 42.741 121.683 70.131 1.00 51.79 H new ATOM 280 N SER A 22 46.448 124.730 64.218 1.00 52.26 N ATOM 281 CA SER A 22 47.895 125.070 64.385 1.00 52.76 C ATOM 282 C SER A 22 48.285 126.270 63.516 1.00 51.68 C ATOM 283 O SER A 22 47.904 126.362 62.365 1.00 52.15 O ATOM 284 CB SER A 22 48.646 123.825 63.920 1.00 53.63 C ATOM 285 OG SER A 22 48.380 122.753 64.813 1.00 55.19 O ATOM 0 H SER A 22 46.107 124.735 63.257 1.00 52.26 H new ATOM 0 HA SER A 22 48.126 125.342 65.415 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.337 123.557 62.910 1.00 53.63 H new ATOM 0 HB3 SER A 22 49.717 124.025 63.883 1.00 53.63 H new ATOM 0 HG SER A 22 47.715 122.153 64.415 1.00 55.19 H new ATOM 291 N THR A 23 49.068 127.172 64.052 1.00 0.00 N ATOM 292 CA THR A 23 49.521 128.351 63.256 1.00 0.00 C ATOM 293 C THR A 23 51.054 128.320 63.168 1.00 0.00 C ATOM 294 O THR A 23 51.731 128.843 64.032 1.00 0.00 O ATOM 295 CB THR A 23 49.044 129.577 64.039 1.00 0.00 C ATOM 296 OG1 THR A 23 47.643 129.480 64.255 1.00 0.00 O ATOM 297 CG2 THR A 23 49.353 130.846 63.244 1.00 0.00 C ATOM 0 H THR A 23 49.414 127.141 65.011 1.00 0.00 H new ATOM 0 HA THR A 23 49.127 128.360 62.240 1.00 0.00 H new ATOM 0 HB THR A 23 49.559 129.620 64.999 1.00 0.00 H new ATOM 0 HG1 THR A 23 47.335 130.263 64.758 1.00 0.00 H new ATOM 0 HG21 THR A 23 49.013 131.718 63.803 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.428 130.919 63.078 1.00 0.00 H new ATOM 0 HG23 THR A 23 48.839 130.808 62.283 1.00 0.00 H new ATOM 305 N PRO A 24 51.551 127.673 62.138 1.00 49.88 N ATOM 306 CA PRO A 24 53.034 127.565 62.006 1.00 51.02 C ATOM 307 C PRO A 24 53.687 128.938 61.816 1.00 51.50 C ATOM 308 O PRO A 24 54.840 129.130 62.155 1.00 51.57 O ATOM 309 CB PRO A 24 53.232 126.707 60.760 1.00 51.23 C ATOM 310 CG PRO A 24 51.993 126.904 59.957 1.00 51.05 C ATOM 311 CD PRO A 24 50.878 127.148 60.935 1.00 49.44 C ATOM 0 HA PRO A 24 53.492 127.140 62.899 1.00 51.02 H new ATOM 0 HB2 PRO A 24 54.117 127.017 60.204 1.00 51.23 H new ATOM 0 HB3 PRO A 24 53.371 125.658 61.021 1.00 51.23 H new ATOM 0 HG2 PRO A 24 52.103 127.749 59.277 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.785 126.027 59.344 1.00 51.05 H new ATOM 0 HD2 PRO A 24 50.154 127.862 60.542 1.00 49.44 H new ATOM 0 HD3 PRO A 24 50.334 126.229 61.154 1.00 49.44 H new ATOM 319 N ASP A 25 52.971 129.888 61.270 1.00 0.00 N ATOM 320 CA ASP A 25 53.570 131.242 61.051 1.00 0.00 C ATOM 321 C ASP A 25 53.811 131.954 62.387 1.00 0.00 C ATOM 322 O ASP A 25 54.635 132.846 62.474 1.00 0.00 O ATOM 323 CB ASP A 25 52.562 132.007 60.190 1.00 0.00 C ATOM 324 CG ASP A 25 53.245 133.226 59.567 1.00 0.00 C ATOM 325 OD1 ASP A 25 54.100 133.801 60.219 1.00 0.00 O ATOM 326 OD2 ASP A 25 52.900 133.564 58.446 1.00 0.00 O ATOM 0 H ASP A 25 52.002 129.787 60.967 1.00 0.00 H new ATOM 0 HA ASP A 25 54.541 131.178 60.560 1.00 0.00 H new ATOM 0 HB2 ASP A 25 52.169 131.358 59.408 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.714 132.323 60.798 1.00 0.00 H new ATOM 331 N GLU A 26 53.104 131.576 63.425 1.00 0.00 N ATOM 332 CA GLU A 26 53.304 132.245 64.747 1.00 0.00 C ATOM 333 C GLU A 26 54.046 131.321 65.725 1.00 0.00 C ATOM 334 O GLU A 26 54.004 131.520 66.925 1.00 0.00 O ATOM 335 CB GLU A 26 51.892 132.536 65.257 1.00 0.00 C ATOM 336 CG GLU A 26 51.951 133.606 66.350 1.00 0.00 C ATOM 337 CD GLU A 26 52.390 134.938 65.740 1.00 0.00 C ATOM 338 OE1 GLU A 26 52.033 135.193 64.600 1.00 0.00 O ATOM 339 OE2 GLU A 26 53.076 135.682 66.422 1.00 0.00 O ATOM 0 H GLU A 26 52.401 130.837 63.413 1.00 0.00 H new ATOM 0 HA GLU A 26 53.908 133.148 64.657 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.261 132.875 64.436 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.441 131.625 65.650 1.00 0.00 H new ATOM 0 HG2 GLU A 26 50.974 133.714 66.820 1.00 0.00 H new ATOM 0 HG3 GLU A 26 52.649 133.304 67.131 1.00 0.00 H new ATOM 346 N GLY A 27 54.723 130.315 65.225 1.00 0.00 N ATOM 347 CA GLY A 27 55.467 129.382 66.125 1.00 0.00 C ATOM 348 C GLY A 27 54.472 128.565 66.953 1.00 0.00 C ATOM 349 O GLY A 27 54.755 128.173 68.069 1.00 0.00 O ATOM 0 H GLY A 27 54.792 130.101 64.230 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.097 128.717 65.535 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.128 129.946 66.784 1.00 0.00 H new ATOM 353 N ARG A 28 53.311 128.308 66.409 1.00 0.00 N ATOM 354 CA ARG A 28 52.286 127.516 67.152 1.00 0.00 C ATOM 355 C ARG A 28 51.939 126.241 66.379 1.00 0.00 C ATOM 356 O ARG A 28 51.085 126.247 65.514 1.00 0.00 O ATOM 357 CB ARG A 28 51.067 128.434 67.246 1.00 0.00 C ATOM 358 CG ARG A 28 50.040 127.825 68.202 1.00 0.00 C ATOM 359 CD ARG A 28 50.510 128.012 69.648 1.00 0.00 C ATOM 360 NE ARG A 28 50.154 129.417 69.991 1.00 0.00 N ATOM 361 CZ ARG A 28 50.059 129.778 71.242 1.00 0.00 C ATOM 362 NH1 ARG A 28 49.019 129.423 71.947 1.00 0.00 N ATOM 363 NH2 ARG A 28 51.004 130.494 71.787 1.00 0.00 N ATOM 0 H ARG A 28 53.028 128.614 65.478 1.00 0.00 H new ATOM 0 HA ARG A 28 52.639 127.205 68.135 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.368 129.420 67.599 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.625 128.570 66.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 49.069 128.300 68.060 1.00 0.00 H new ATOM 0 HG3 ARG A 28 49.910 126.765 67.985 1.00 0.00 H new ATOM 0 HD2 ARG A 28 50.018 127.306 70.317 1.00 0.00 H new ATOM 0 HD3 ARG A 28 51.583 127.843 69.739 1.00 0.00 H new ATOM 0 HE ARG A 28 49.985 130.096 69.249 1.00 0.00 H new ATOM 0 HH11 ARG A 28 48.281 128.863 71.520 1.00 0.00 H new ATOM 0 HH12 ARG A 28 48.945 129.705 72.924 1.00 0.00 H new ATOM 0 HH21 ARG A 28 51.816 130.771 71.236 1.00 0.00 H new ATOM 0 HH22 ARG A 28 50.931 130.776 72.764 1.00 0.00 H new ATOM 377 N TYR A 29 52.585 125.146 66.692 1.00 46.07 N ATOM 378 CA TYR A 29 52.280 123.865 65.983 1.00 43.41 C ATOM 379 C TYR A 29 51.496 122.940 66.919 1.00 41.37 C ATOM 380 O TYR A 29 51.894 122.715 68.048 1.00 39.95 O ATOM 381 CB TYR A 29 53.641 123.251 65.640 1.00 43.56 C ATOM 382 CG TYR A 29 54.442 124.211 64.789 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.230 125.195 65.399 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.401 124.114 63.393 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.975 126.082 64.614 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.146 125.001 62.608 1.00 42.98 C ATOM 387 CZ TYR A 29 55.933 125.985 63.218 1.00 43.35 C ATOM 388 OH TYR A 29 56.668 126.859 62.443 1.00 43.13 O ATOM 0 H TYR A 29 53.310 125.083 67.407 1.00 46.07 H new ATOM 0 HA TYR A 29 51.677 124.019 65.088 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.187 123.021 66.555 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.501 122.310 65.108 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.263 125.269 66.476 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.794 123.355 62.922 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.582 126.841 65.085 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.114 124.926 61.531 1.00 42.98 H new ATOM 0 HH TYR A 29 56.144 127.671 62.279 1.00 43.13 H new ATOM 398 N ALA A 30 50.382 122.413 66.468 1.00 0.00 N ATOM 399 CA ALA A 30 49.578 121.516 67.356 1.00 0.00 C ATOM 400 C ALA A 30 49.443 120.113 66.755 1.00 0.00 C ATOM 401 O ALA A 30 48.900 119.934 65.680 1.00 0.00 O ATOM 402 CB ALA A 30 48.211 122.188 67.478 1.00 0.00 C ATOM 0 H ALA A 30 49.999 122.563 65.535 1.00 0.00 H new ATOM 0 HA ALA A 30 50.055 121.384 68.327 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.565 121.586 68.117 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.331 123.179 67.915 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.761 122.279 66.489 1.00 0.00 H new ATOM 408 N PHE A 31 49.917 119.117 67.459 1.00 36.58 N ATOM 409 CA PHE A 31 49.803 117.714 66.963 1.00 36.29 C ATOM 410 C PHE A 31 48.912 116.906 67.909 1.00 35.25 C ATOM 411 O PHE A 31 49.041 116.998 69.116 1.00 34.09 O ATOM 412 CB PHE A 31 51.226 117.152 66.979 1.00 36.39 C ATOM 413 CG PHE A 31 52.017 117.710 65.821 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.653 118.951 65.937 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.121 116.977 64.632 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.392 119.460 64.862 1.00 37.40 C ATOM 417 CE2 PHE A 31 52.860 117.487 63.558 1.00 37.25 C ATOM 418 CZ PHE A 31 53.495 118.728 63.674 1.00 36.45 C ATOM 0 H PHE A 31 50.381 119.217 68.362 1.00 36.58 H new ATOM 0 HA PHE A 31 49.363 117.668 65.967 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.715 117.406 67.919 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.196 116.064 66.919 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.574 119.515 66.854 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.631 116.019 64.544 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.883 120.418 64.950 1.00 37.40 H new ATOM 0 HE2 PHE A 31 52.940 116.923 62.641 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.065 119.122 62.846 1.00 36.45 H new ATOM 428 N ALA A 32 48.028 116.103 67.379 1.00 34.06 N ATOM 429 CA ALA A 32 47.144 115.270 68.247 1.00 32.35 C ATOM 430 C ALA A 32 47.538 113.803 68.084 1.00 31.25 C ATOM 431 O ALA A 32 47.704 113.329 66.976 1.00 31.96 O ATOM 432 CB ALA A 32 45.728 115.509 67.720 1.00 32.65 C ATOM 0 H ALA A 32 47.879 115.987 66.377 1.00 34.06 H new ATOM 0 HA ALA A 32 47.221 115.522 69.305 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.018 114.929 68.309 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.484 116.569 67.799 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.671 115.200 66.676 1.00 32.65 H new ATOM 438 N TYR A 33 47.711 113.082 69.166 1.00 29.03 N ATOM 439 CA TYR A 33 48.116 111.649 69.031 1.00 27.15 C ATOM 440 C TYR A 33 47.163 110.727 69.797 1.00 26.72 C ATOM 441 O TYR A 33 46.685 111.060 70.865 1.00 28.24 O ATOM 442 CB TYR A 33 49.554 111.571 69.578 1.00 26.09 C ATOM 443 CG TYR A 33 49.590 111.758 71.082 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.464 113.037 71.636 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.770 110.649 71.917 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.516 113.203 73.025 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.826 110.816 73.304 1.00 25.85 C ATOM 448 CZ TYR A 33 49.699 112.092 73.859 1.00 27.60 C ATOM 449 OH TYR A 33 49.757 112.256 75.228 1.00 28.81 O ATOM 0 H TYR A 33 47.591 113.418 70.122 1.00 29.03 H new ATOM 0 HA TYR A 33 48.072 111.314 67.995 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.990 110.606 69.320 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.167 112.335 69.101 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.327 113.894 70.993 1.00 24.81 H new ATOM 0 HD2 TYR A 33 49.866 109.662 71.489 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.415 114.189 73.454 1.00 25.46 H new ATOM 0 HE2 TYR A 33 49.967 109.959 73.946 1.00 25.85 H new ATOM 0 HH TYR A 33 48.848 112.328 75.588 1.00 28.81 H new ATOM 459 N SER A 34 46.893 109.567 69.255 1.00 0.00 N ATOM 460 CA SER A 34 45.980 108.608 69.942 1.00 0.00 C ATOM 461 C SER A 34 46.809 107.507 70.603 1.00 0.00 C ATOM 462 O SER A 34 47.779 107.034 70.049 1.00 0.00 O ATOM 463 CB SER A 34 45.098 108.032 68.835 1.00 0.00 C ATOM 464 OG SER A 34 44.197 107.088 69.399 1.00 0.00 O ATOM 0 H SER A 34 47.267 109.243 68.363 1.00 0.00 H new ATOM 0 HA SER A 34 45.382 109.079 70.722 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.545 108.831 68.342 1.00 0.00 H new ATOM 0 HB3 SER A 34 45.715 107.554 68.074 1.00 0.00 H new ATOM 0 HG SER A 34 43.628 106.717 68.693 1.00 0.00 H new ATOM 470 N ILE A 35 46.439 107.115 71.793 1.00 0.00 N ATOM 471 CA ILE A 35 47.210 106.061 72.519 1.00 0.00 C ATOM 472 C ILE A 35 46.469 104.719 72.501 1.00 0.00 C ATOM 473 O ILE A 35 45.287 104.635 72.779 1.00 0.00 O ATOM 474 CB ILE A 35 47.308 106.594 73.956 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.069 107.924 73.952 1.00 0.00 C ATOM 476 CG2 ILE A 35 48.061 105.590 74.837 1.00 0.00 C ATOM 477 CD1 ILE A 35 47.085 109.079 73.758 1.00 0.00 C ATOM 0 H ILE A 35 45.631 107.481 72.297 1.00 0.00 H new ATOM 0 HA ILE A 35 48.183 105.877 72.063 1.00 0.00 H new ATOM 0 HB ILE A 35 46.303 106.740 74.352 1.00 0.00 H new ATOM 0 HG12 ILE A 35 48.610 108.048 74.890 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.811 107.927 73.154 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.126 105.976 75.854 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.528 104.639 74.843 1.00 0.00 H new ATOM 0 HG23 ILE A 35 49.065 105.440 74.441 1.00 0.00 H new ATOM 0 HD11 ILE A 35 47.629 110.024 73.756 1.00 0.00 H new ATOM 0 HD12 ILE A 35 46.564 108.958 72.808 1.00 0.00 H new ATOM 0 HD13 ILE A 35 46.360 109.080 74.572 1.00 0.00 H new ATOM 489 N ARG A 36 47.179 103.672 72.166 1.00 25.30 N ATOM 490 CA ARG A 36 46.558 102.315 72.111 1.00 25.64 C ATOM 491 C ARG A 36 47.306 101.368 73.055 1.00 23.79 C ATOM 492 O ARG A 36 48.336 100.818 72.717 1.00 25.11 O ATOM 493 CB ARG A 36 46.715 101.857 70.656 1.00 28.66 C ATOM 494 CG ARG A 36 46.046 102.865 69.715 1.00 34.24 C ATOM 495 CD ARG A 36 45.672 102.169 68.405 1.00 37.45 C ATOM 496 NE ARG A 36 46.971 101.891 67.733 1.00 40.12 N ATOM 497 CZ ARG A 36 47.115 102.145 66.461 1.00 40.24 C ATOM 498 NH1 ARG A 36 46.721 103.290 65.975 1.00 39.81 N ATOM 499 NH2 ARG A 36 47.655 101.253 65.675 1.00 39.07 N ATOM 0 H ARG A 36 48.170 103.700 71.926 1.00 25.30 H new ATOM 0 HA ARG A 36 45.512 102.323 72.418 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.772 101.761 70.408 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.267 100.872 70.526 1.00 28.66 H new ATOM 0 HG2 ARG A 36 45.155 103.282 70.185 1.00 34.24 H new ATOM 0 HG3 ARG A 36 46.721 103.698 69.517 1.00 34.24 H new ATOM 0 HD2 ARG A 36 45.119 101.248 68.591 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.036 102.804 67.788 1.00 37.45 H new ATOM 0 HE ARG A 36 47.748 101.502 68.267 1.00 40.12 H new ATOM 0 HH11 ARG A 36 46.300 103.987 66.589 1.00 39.81 H new ATOM 0 HH12 ARG A 36 46.834 103.488 64.981 1.00 39.81 H new ATOM 0 HH21 ARG A 36 47.964 100.358 66.055 1.00 39.07 H new ATOM 0 HH22 ARG A 36 47.768 101.451 64.681 1.00 39.07 H new ATOM 513 N ILE A 37 46.786 101.186 74.239 1.00 20.73 N ATOM 514 CA ILE A 37 47.444 100.288 75.237 1.00 18.17 C ATOM 515 C ILE A 37 46.850 98.876 75.163 1.00 17.71 C ATOM 516 O ILE A 37 45.690 98.670 75.452 1.00 15.34 O ATOM 517 CB ILE A 37 47.137 100.924 76.600 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.694 102.350 76.641 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.793 100.103 77.716 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.158 103.072 77.879 1.00 16.07 C ATOM 0 H ILE A 37 45.924 101.625 74.562 1.00 20.73 H new ATOM 0 HA ILE A 37 48.515 100.190 75.058 1.00 18.17 H new ATOM 0 HB ILE A 37 46.057 100.944 76.745 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.783 102.326 76.664 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.407 102.890 75.739 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.572 100.559 78.681 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.402 99.086 77.697 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.872 100.080 77.564 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.554 104.087 77.908 1.00 16.07 H new ATOM 0 HD12 ILE A 37 46.069 103.109 77.836 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.468 102.535 78.776 1.00 16.07 H new ATOM 532 N GLN A 38 47.649 97.902 74.804 1.00 0.00 N ATOM 533 CA GLN A 38 47.146 96.494 74.741 1.00 0.00 C ATOM 534 C GLN A 38 47.914 95.632 75.749 1.00 0.00 C ATOM 535 O GLN A 38 49.112 95.768 75.919 1.00 0.00 O ATOM 536 CB GLN A 38 47.374 96.014 73.300 1.00 0.00 C ATOM 537 CG GLN A 38 48.841 96.207 72.899 1.00 0.00 C ATOM 538 CD GLN A 38 49.178 95.276 71.732 1.00 0.00 C ATOM 539 OE1 GLN A 38 49.914 94.221 71.946 1.00 0.00 O flip ATOM 540 NE2 GLN A 38 48.766 95.512 70.613 1.00 0.00 N flip ATOM 0 H GLN A 38 48.630 98.021 74.551 1.00 0.00 H new ATOM 0 HA GLN A 38 46.089 96.423 74.997 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.102 94.962 73.213 1.00 0.00 H new ATOM 0 HB3 GLN A 38 46.728 96.568 72.619 1.00 0.00 H new ATOM 0 HG2 GLN A 38 49.018 97.244 72.613 1.00 0.00 H new ATOM 0 HG3 GLN A 38 49.492 95.995 73.747 1.00 0.00 H new ATOM 0 HE21 GLN A 38 48.190 96.337 70.445 1.00 0.00 H new ATOM 0 HE22 GLN A 38 48.996 94.885 69.842 1.00 0.00 H new ATOM 549 N ASN A 39 47.216 94.761 76.436 1.00 15.86 N ATOM 550 CA ASN A 39 47.882 93.899 77.458 1.00 17.88 C ATOM 551 C ASN A 39 48.342 92.576 76.839 1.00 18.37 C ATOM 552 O ASN A 39 47.539 91.787 76.377 1.00 18.69 O ATOM 553 CB ASN A 39 46.824 93.655 78.534 1.00 19.10 C ATOM 554 CG ASN A 39 47.456 92.916 79.715 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.283 92.045 79.531 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.099 93.229 80.931 1.00 19.13 N ATOM 0 H ASN A 39 46.213 94.611 76.332 1.00 15.86 H new ATOM 0 HA ASN A 39 48.774 94.374 77.867 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.404 94.604 78.868 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.001 93.070 78.124 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.514 92.743 81.726 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.405 93.960 81.087 1.00 19.13 H new ATOM 563 N ALA A 40 49.625 92.318 76.847 1.00 0.00 N ATOM 564 CA ALA A 40 50.142 91.036 76.281 1.00 0.00 C ATOM 565 C ALA A 40 50.801 90.187 77.384 1.00 0.00 C ATOM 566 O ALA A 40 51.424 89.180 77.103 1.00 0.00 O ATOM 567 CB ALA A 40 51.171 91.448 75.229 1.00 0.00 C ATOM 0 H ALA A 40 50.339 92.942 77.223 1.00 0.00 H new ATOM 0 HA ALA A 40 49.346 90.428 75.852 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.596 90.557 74.767 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.687 92.056 74.465 1.00 0.00 H new ATOM 0 HB3 ALA A 40 51.965 92.025 75.703 1.00 0.00 H new ATOM 573 N GLY A 41 50.666 90.579 78.632 1.00 27.60 N ATOM 574 CA GLY A 41 51.281 89.789 79.740 1.00 28.62 C ATOM 575 C GLY A 41 50.354 88.633 80.120 1.00 29.10 C ATOM 576 O GLY A 41 49.269 88.498 79.587 1.00 28.18 O ATOM 0 H GLY A 41 50.156 91.412 78.926 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.252 89.403 79.430 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.454 90.430 80.605 1.00 28.62 H new ATOM 580 N ALA A 42 50.777 87.798 81.035 1.00 0.00 N ATOM 581 CA ALA A 42 49.926 86.644 81.453 1.00 0.00 C ATOM 582 C ALA A 42 48.992 87.059 82.587 1.00 0.00 C ATOM 583 O ALA A 42 47.864 86.612 82.677 1.00 0.00 O ATOM 584 CB ALA A 42 50.915 85.584 81.938 1.00 0.00 C ATOM 0 H ALA A 42 51.677 87.866 81.511 1.00 0.00 H new ATOM 0 HA ALA A 42 49.297 86.279 80.641 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.369 84.699 82.265 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.588 85.315 81.124 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.494 85.981 82.772 1.00 0.00 H new ATOM 590 N VAL A 43 49.465 87.909 83.454 1.00 0.00 N ATOM 591 CA VAL A 43 48.628 88.373 84.604 1.00 0.00 C ATOM 592 C VAL A 43 48.095 89.788 84.330 1.00 0.00 C ATOM 593 O VAL A 43 48.798 90.618 83.789 1.00 0.00 O ATOM 594 CB VAL A 43 49.578 88.352 85.808 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.863 88.864 87.061 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.056 86.919 86.052 1.00 0.00 C ATOM 0 H VAL A 43 50.403 88.308 83.418 1.00 0.00 H new ATOM 0 HA VAL A 43 47.753 87.745 84.774 1.00 0.00 H new ATOM 0 HB VAL A 43 50.429 88.999 85.596 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.551 88.843 87.907 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.524 89.887 86.894 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.004 88.228 87.276 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.731 86.901 86.907 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.198 86.279 86.254 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.580 86.555 85.168 1.00 0.00 H new ATOM 606 N PRO A 44 46.849 90.014 84.707 1.00 21.08 N ATOM 607 CA PRO A 44 46.248 91.367 84.464 1.00 21.01 C ATOM 608 C PRO A 44 47.129 92.489 85.031 1.00 21.95 C ATOM 609 O PRO A 44 47.760 92.344 86.063 1.00 21.40 O ATOM 610 CB PRO A 44 44.900 91.310 85.181 1.00 20.53 C ATOM 611 CG PRO A 44 45.076 90.255 86.213 1.00 18.90 C ATOM 612 CD PRO A 44 45.965 89.222 85.585 1.00 19.89 C ATOM 0 HA PRO A 44 46.150 91.588 83.401 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.649 92.270 85.632 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.093 91.061 84.492 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.527 90.663 87.118 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.117 89.824 86.501 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.533 88.672 86.335 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.390 88.489 85.019 1.00 19.89 H new ATOM 620 N ALA A 45 47.171 93.601 84.343 1.00 20.91 N ATOM 621 CA ALA A 45 48.007 94.748 84.803 1.00 19.47 C ATOM 622 C ALA A 45 47.273 96.079 84.607 1.00 19.21 C ATOM 623 O ALA A 45 46.446 96.230 83.723 1.00 19.53 O ATOM 624 CB ALA A 45 49.246 94.699 83.910 1.00 18.37 C ATOM 0 H ALA A 45 46.658 93.764 83.476 1.00 20.91 H new ATOM 0 HA ALA A 45 48.245 94.678 85.864 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.921 95.512 84.179 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.755 93.745 84.046 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.947 94.806 82.867 1.00 18.37 H new ATOM 630 N ARG A 46 47.578 97.043 85.433 1.00 0.00 N ATOM 631 CA ARG A 46 46.922 98.379 85.324 1.00 0.00 C ATOM 632 C ARG A 46 47.989 99.475 85.266 1.00 0.00 C ATOM 633 O ARG A 46 49.119 99.267 85.669 1.00 0.00 O ATOM 634 CB ARG A 46 46.069 98.513 86.591 1.00 0.00 C ATOM 635 CG ARG A 46 46.955 98.406 87.839 1.00 0.00 C ATOM 636 CD ARG A 46 46.121 98.700 89.091 1.00 0.00 C ATOM 637 NE ARG A 46 46.419 97.579 90.026 1.00 0.00 N ATOM 638 CZ ARG A 46 47.082 97.804 91.127 1.00 0.00 C ATOM 639 NH1 ARG A 46 46.573 98.573 92.049 1.00 0.00 N ATOM 640 NH2 ARG A 46 48.254 97.259 91.306 1.00 0.00 N ATOM 0 H ARG A 46 48.261 96.962 86.187 1.00 0.00 H new ATOM 0 HA ARG A 46 46.315 98.475 84.423 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.547 99.470 86.587 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.307 97.734 86.609 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.388 97.408 87.905 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.785 99.110 87.769 1.00 0.00 H new ATOM 0 HD2 ARG A 46 46.391 99.661 89.528 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.058 98.745 88.855 1.00 0.00 H new ATOM 0 HE ARG A 46 46.104 96.634 89.805 1.00 0.00 H new ATOM 0 HH11 ARG A 46 45.657 98.999 91.909 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.091 98.749 92.910 1.00 0.00 H new ATOM 0 HH21 ARG A 46 48.652 96.657 90.585 1.00 0.00 H new ATOM 0 HH22 ARG A 46 48.772 97.435 92.167 1.00 0.00 H new ATOM 654 N LEU A 47 47.642 100.638 84.774 1.00 0.00 N ATOM 655 CA LEU A 47 48.644 101.744 84.699 1.00 0.00 C ATOM 656 C LEU A 47 48.464 102.681 85.895 1.00 0.00 C ATOM 657 O LEU A 47 47.434 103.310 86.048 1.00 0.00 O ATOM 658 CB LEU A 47 48.339 102.472 83.389 1.00 0.00 C ATOM 659 CG LEU A 47 49.507 103.394 83.031 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.426 103.769 81.551 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.437 104.664 83.881 1.00 0.00 C ATOM 0 H LEU A 47 46.713 100.868 84.423 1.00 0.00 H new ATOM 0 HA LEU A 47 49.672 101.382 84.725 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.174 101.750 82.589 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.422 103.052 83.488 1.00 0.00 H new ATOM 0 HG LEU A 47 50.447 102.878 83.226 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.258 104.426 81.296 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.477 102.866 80.943 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.485 104.284 81.357 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.269 105.320 83.625 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.496 105.180 83.688 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.495 104.399 84.937 1.00 0.00 H new ATOM 673 N VAL A 48 49.455 102.772 86.746 1.00 0.00 N ATOM 674 CA VAL A 48 49.340 103.662 87.939 1.00 0.00 C ATOM 675 C VAL A 48 50.037 105.001 87.679 1.00 0.00 C ATOM 676 O VAL A 48 49.674 106.012 88.251 1.00 0.00 O ATOM 677 CB VAL A 48 50.029 102.903 89.079 1.00 0.00 C ATOM 678 CG1 VAL A 48 49.956 103.728 90.368 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.324 101.563 89.302 1.00 0.00 C ATOM 0 H VAL A 48 50.338 102.268 86.665 1.00 0.00 H new ATOM 0 HA VAL A 48 48.301 103.892 88.177 1.00 0.00 H new ATOM 0 HB VAL A 48 51.072 102.731 88.814 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.447 103.185 91.176 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.457 104.684 90.217 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.912 103.902 90.630 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.815 101.024 90.113 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.281 101.740 89.563 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.374 100.969 88.389 1.00 0.00 H new ATOM 689 N ALA A 49 51.043 105.017 86.836 1.00 0.00 N ATOM 690 CA ALA A 49 51.758 106.302 86.570 1.00 0.00 C ATOM 691 C ALA A 49 52.152 106.438 85.096 1.00 0.00 C ATOM 692 O ALA A 49 52.191 105.477 84.351 1.00 0.00 O ATOM 693 CB ALA A 49 53.003 106.251 87.454 1.00 0.00 C ATOM 0 H ALA A 49 51.395 104.206 86.327 1.00 0.00 H new ATOM 0 HA ALA A 49 51.124 107.161 86.790 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.585 107.163 87.316 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.704 106.166 88.499 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.610 105.388 87.179 1.00 0.00 H new ATOM 699 N ARG A 50 52.451 107.641 84.687 1.00 18.13 N ATOM 700 CA ARG A 50 52.858 107.903 83.275 1.00 20.89 C ATOM 701 C ARG A 50 53.950 108.978 83.227 1.00 22.46 C ATOM 702 O ARG A 50 53.930 109.941 83.972 1.00 23.35 O ATOM 703 CB ARG A 50 51.581 108.385 82.570 1.00 21.09 C ATOM 704 CG ARG A 50 51.099 109.708 83.175 1.00 22.20 C ATOM 705 CD ARG A 50 49.703 110.033 82.643 1.00 26.75 C ATOM 706 NE ARG A 50 49.289 111.263 83.375 1.00 26.68 N ATOM 707 CZ ARG A 50 49.190 112.398 82.738 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.183 112.609 81.935 1.00 29.05 N ATOM 709 NH2 ARG A 50 50.097 113.321 82.904 1.00 27.75 N ATOM 0 H ARG A 50 52.430 108.469 85.282 1.00 18.13 H new ATOM 0 HA ARG A 50 53.272 107.017 82.794 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.774 108.514 81.505 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.800 107.630 82.663 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.078 109.637 84.262 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.792 110.510 82.922 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.720 110.201 81.566 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.010 109.212 82.826 1.00 26.75 H new ATOM 0 HE ARG A 50 49.083 111.218 84.373 1.00 26.68 H new ATOM 0 HH11 ARG A 50 47.474 111.887 81.806 1.00 29.05 H new ATOM 0 HH12 ARG A 50 48.105 113.496 81.437 1.00 29.05 H new ATOM 0 HH21 ARG A 50 50.884 113.156 83.532 1.00 27.75 H new ATOM 0 HH22 ARG A 50 50.019 114.208 82.406 1.00 27.75 H new ATOM 723 N HIS A 51 54.901 108.806 82.347 1.00 22.89 N ATOM 724 CA HIS A 51 56.013 109.792 82.217 1.00 23.99 C ATOM 725 C HIS A 51 56.417 109.919 80.745 1.00 24.58 C ATOM 726 O HIS A 51 56.898 108.981 80.139 1.00 24.14 O ATOM 727 CB HIS A 51 57.155 109.216 83.061 1.00 22.92 C ATOM 728 CG HIS A 51 58.351 110.130 82.997 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.625 109.703 83.338 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.483 111.447 82.631 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.460 110.745 83.171 1.00 26.28 C ATOM 732 NE2 HIS A 51 59.815 111.832 82.741 1.00 25.48 N ATOM 0 H HIS A 51 54.955 108.015 81.706 1.00 22.89 H new ATOM 0 HA HIS A 51 55.737 110.791 82.555 1.00 23.99 H new ATOM 0 HB2 HIS A 51 56.831 109.098 84.095 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.424 108.225 82.697 1.00 22.92 H new ATOM 0 HD1 HIS A 51 59.883 108.769 83.657 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.675 112.087 82.307 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.522 110.707 83.362 1.00 26.28 H new ATOM 740 N TRP A 52 56.211 111.075 80.169 1.00 24.73 N ATOM 741 CA TRP A 52 56.563 111.285 78.733 1.00 24.73 C ATOM 742 C TRP A 52 57.950 111.924 78.594 1.00 25.24 C ATOM 743 O TRP A 52 58.271 112.887 79.265 1.00 25.25 O ATOM 744 CB TRP A 52 55.512 112.269 78.219 1.00 22.37 C ATOM 745 CG TRP A 52 54.212 111.574 77.974 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.105 111.713 78.740 1.00 21.28 C ATOM 747 CD2 TRP A 52 53.859 110.649 76.907 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.094 110.934 78.208 1.00 19.65 N ATOM 749 CE2 TRP A 52 52.509 110.259 77.078 1.00 19.51 C ATOM 750 CE3 TRP A 52 54.571 110.116 75.816 1.00 19.22 C ATOM 751 CZ2 TRP A 52 51.888 109.373 76.198 1.00 19.14 C ATOM 752 CZ3 TRP A 52 53.947 109.222 74.929 1.00 19.43 C ATOM 753 CH2 TRP A 52 52.608 108.854 75.120 1.00 18.33 C ATOM 0 H TRP A 52 55.811 111.889 80.636 1.00 24.73 H new ATOM 0 HA TRP A 52 56.582 110.343 78.185 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.371 113.070 78.945 1.00 22.37 H new ATOM 0 HB3 TRP A 52 55.861 112.733 77.297 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.024 112.331 79.622 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.156 110.866 78.603 1.00 19.65 H new ATOM 0 HE3 TRP A 52 55.602 110.396 75.660 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 50.857 109.090 76.349 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 54.502 108.816 74.096 1.00 19.43 H new ATOM 0 HH2 TRP A 52 52.133 108.169 74.433 1.00 18.33 H new ATOM 764 N GLN A 53 58.761 111.399 77.714 1.00 0.00 N ATOM 765 CA GLN A 53 60.126 111.969 77.500 1.00 0.00 C ATOM 766 C GLN A 53 60.216 112.518 76.073 1.00 0.00 C ATOM 767 O GLN A 53 60.752 111.879 75.185 1.00 0.00 O ATOM 768 CB GLN A 53 61.081 110.787 77.686 1.00 0.00 C ATOM 769 CG GLN A 53 62.526 111.255 77.489 1.00 0.00 C ATOM 770 CD GLN A 53 63.488 110.076 77.680 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.093 109.013 78.121 1.00 0.00 O ATOM 772 NE2 GLN A 53 64.746 110.221 77.365 1.00 0.00 N ATOM 0 H GLN A 53 58.536 110.594 77.130 1.00 0.00 H new ATOM 0 HA GLN A 53 60.363 112.784 78.184 1.00 0.00 H new ATOM 0 HB2 GLN A 53 60.959 110.362 78.682 1.00 0.00 H new ATOM 0 HB3 GLN A 53 60.843 109.999 76.972 1.00 0.00 H new ATOM 0 HG2 GLN A 53 62.648 111.677 76.491 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.761 112.046 78.201 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.080 111.111 76.995 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.395 109.444 77.489 1.00 0.00 H new ATOM 781 N ILE A 54 59.665 113.685 75.841 1.00 28.56 N ATOM 782 CA ILE A 54 59.686 114.268 74.460 1.00 31.69 C ATOM 783 C ILE A 54 60.980 115.059 74.194 1.00 31.35 C ATOM 784 O ILE A 54 61.366 115.928 74.952 1.00 31.20 O ATOM 785 CB ILE A 54 58.420 115.169 74.346 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.598 116.501 75.098 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.189 114.437 74.906 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.407 117.417 74.799 1.00 36.11 C ATOM 0 H ILE A 54 59.202 114.259 76.546 1.00 28.56 H new ATOM 0 HA ILE A 54 59.671 113.482 73.705 1.00 31.69 H new ATOM 0 HB ILE A 54 58.274 115.385 73.288 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.671 116.319 76.170 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.527 116.982 74.793 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.313 115.080 74.819 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.023 113.519 74.342 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.357 114.192 75.955 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.531 118.360 75.331 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.355 117.608 73.727 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.486 116.935 75.126 1.00 36.11 H new ATOM 800 N THR A 55 61.633 114.767 73.099 1.00 32.39 N ATOM 801 CA THR A 55 62.878 115.505 72.730 1.00 32.79 C ATOM 802 C THR A 55 62.649 116.175 71.374 1.00 33.98 C ATOM 803 O THR A 55 62.186 115.558 70.433 1.00 33.62 O ATOM 804 CB THR A 55 63.993 114.456 72.668 1.00 32.44 C ATOM 805 OG1 THR A 55 64.158 113.867 73.950 1.00 30.14 O ATOM 806 CG2 THR A 55 65.307 115.111 72.229 1.00 31.51 C ATOM 0 H THR A 55 61.354 114.042 72.438 1.00 32.39 H new ATOM 0 HA THR A 55 63.146 116.283 73.444 1.00 32.79 H new ATOM 0 HB THR A 55 63.722 113.687 71.944 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.870 113.194 73.912 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.093 114.357 72.188 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.180 115.557 71.242 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.584 115.886 72.944 1.00 31.51 H new ATOM 814 N ASP A 56 62.945 117.448 71.286 1.00 36.19 N ATOM 815 CA ASP A 56 62.721 118.187 70.010 1.00 38.66 C ATOM 816 C ASP A 56 63.963 118.151 69.115 1.00 38.50 C ATOM 817 O ASP A 56 65.027 117.720 69.514 1.00 37.75 O ATOM 818 CB ASP A 56 62.388 119.619 70.432 1.00 41.21 C ATOM 819 CG ASP A 56 61.782 120.378 69.250 1.00 42.74 C ATOM 820 OD1 ASP A 56 61.017 119.776 68.515 1.00 45.04 O ATOM 821 OD2 ASP A 56 62.094 121.548 69.100 1.00 43.86 O ATOM 0 H ASP A 56 63.333 118.007 72.046 1.00 36.19 H new ATOM 0 HA ASP A 56 61.921 117.738 69.421 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.688 119.609 71.267 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.289 120.125 70.778 1.00 41.21 H new ATOM 826 N GLY A 57 63.814 118.598 67.893 1.00 37.51 N ATOM 827 CA GLY A 57 64.949 118.601 66.921 1.00 38.01 C ATOM 828 C GLY A 57 66.109 119.503 67.386 1.00 39.47 C ATOM 829 O GLY A 57 67.162 119.502 66.773 1.00 38.99 O ATOM 0 H GLY A 57 62.938 118.967 67.522 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.314 117.583 66.787 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.592 118.942 65.949 1.00 38.01 H new ATOM 833 N ASN A 58 65.956 120.253 68.458 1.00 0.00 N ATOM 834 CA ASN A 58 67.088 121.114 68.928 1.00 0.00 C ATOM 835 C ASN A 58 67.803 120.463 70.129 1.00 0.00 C ATOM 836 O ASN A 58 68.700 121.045 70.710 1.00 0.00 O ATOM 837 CB ASN A 58 66.453 122.446 69.323 1.00 0.00 C ATOM 838 CG ASN A 58 67.447 123.580 69.073 1.00 0.00 C ATOM 839 OD1 ASN A 58 67.958 124.172 70.002 1.00 0.00 O ATOM 840 ND2 ASN A 58 67.746 123.911 67.846 1.00 0.00 N ATOM 0 H ASN A 58 65.106 120.304 69.019 1.00 0.00 H new ATOM 0 HA ASN A 58 67.844 121.248 68.155 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.543 122.612 68.746 1.00 0.00 H new ATOM 0 HB3 ASN A 58 66.165 122.426 70.374 1.00 0.00 H new ATOM 0 HD21 ASN A 58 68.408 124.666 67.668 1.00 0.00 H new ATOM 0 HD22 ASN A 58 67.317 123.414 67.065 1.00 0.00 H new ATOM 847 N GLY A 59 67.427 119.256 70.490 1.00 0.00 N ATOM 848 CA GLY A 59 68.097 118.563 71.633 1.00 0.00 C ATOM 849 C GLY A 59 67.347 118.822 72.945 1.00 0.00 C ATOM 850 O GLY A 59 67.378 118.004 73.847 1.00 0.00 O ATOM 0 H GLY A 59 66.683 118.723 70.039 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.140 117.491 71.439 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.126 118.912 71.722 1.00 0.00 H new ATOM 854 N ARG A 60 66.677 119.942 73.067 1.00 49.10 N ATOM 855 CA ARG A 60 65.933 120.232 74.335 1.00 50.05 C ATOM 856 C ARG A 60 64.839 119.181 74.541 1.00 49.79 C ATOM 857 O ARG A 60 64.217 118.735 73.594 1.00 48.27 O ATOM 858 CB ARG A 60 65.317 121.625 74.136 1.00 52.38 C ATOM 859 CG ARG A 60 66.062 122.658 74.998 1.00 55.08 C ATOM 860 CD ARG A 60 66.897 123.583 74.105 1.00 57.97 C ATOM 861 NE ARG A 60 65.908 124.296 73.248 1.00 60.72 N ATOM 862 CZ ARG A 60 65.715 125.577 73.405 1.00 61.65 C ATOM 863 NH1 ARG A 60 65.580 126.075 74.604 1.00 62.78 N ATOM 864 NH2 ARG A 60 65.657 126.361 72.363 1.00 61.80 N ATOM 0 H ARG A 60 66.612 120.664 72.349 1.00 49.10 H new ATOM 0 HA ARG A 60 66.579 120.204 75.213 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.372 121.909 73.085 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.261 121.607 74.407 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.348 123.245 75.576 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.708 122.149 75.713 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.480 124.285 74.701 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.604 123.014 73.501 1.00 57.97 H new ATOM 0 HE ARG A 60 65.383 123.783 72.540 1.00 60.72 H new ATOM 0 HH11 ARG A 60 65.625 125.463 75.419 1.00 62.78 H new ATOM 0 HH12 ARG A 60 65.429 127.076 74.726 1.00 62.78 H new ATOM 0 HH21 ARG A 60 65.763 125.972 71.426 1.00 61.80 H new ATOM 0 HH22 ARG A 60 65.506 127.362 72.486 1.00 61.80 H new ATOM 878 N THR A 61 64.608 118.772 75.765 1.00 0.00 N ATOM 879 CA THR A 61 63.559 117.734 76.016 1.00 0.00 C ATOM 880 C THR A 61 62.644 118.158 77.167 1.00 0.00 C ATOM 881 O THR A 61 63.061 118.854 78.075 1.00 0.00 O ATOM 882 CB THR A 61 64.328 116.464 76.392 1.00 0.00 C ATOM 883 OG1 THR A 61 65.045 116.688 77.599 1.00 0.00 O ATOM 884 CG2 THR A 61 65.310 116.096 75.277 1.00 0.00 C ATOM 0 H THR A 61 65.096 119.109 76.595 1.00 0.00 H new ATOM 0 HA THR A 61 62.923 117.585 75.143 1.00 0.00 H new ATOM 0 HB THR A 61 63.622 115.645 76.529 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.537 115.876 77.843 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.852 115.192 75.553 1.00 0.00 H new ATOM 0 HG22 THR A 61 64.761 115.921 74.352 1.00 0.00 H new ATOM 0 HG23 THR A 61 66.017 116.913 75.131 1.00 0.00 H new ATOM 892 N GLU A 62 61.404 117.741 77.140 1.00 0.00 N ATOM 893 CA GLU A 62 60.460 118.115 78.233 1.00 0.00 C ATOM 894 C GLU A 62 59.889 116.852 78.886 1.00 0.00 C ATOM 895 O GLU A 62 59.292 116.016 78.236 1.00 0.00 O ATOM 896 CB GLU A 62 59.353 118.918 77.550 1.00 0.00 C ATOM 897 CG GLU A 62 59.908 120.273 77.097 1.00 0.00 C ATOM 898 CD GLU A 62 58.806 121.090 76.409 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.831 120.499 75.971 1.00 0.00 O ATOM 900 OE2 GLU A 62 58.961 122.297 76.326 1.00 0.00 O ATOM 0 H GLU A 62 61.005 117.156 76.406 1.00 0.00 H new ATOM 0 HA GLU A 62 60.946 118.690 79.021 1.00 0.00 H new ATOM 0 HB2 GLU A 62 58.966 118.367 76.693 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.520 119.066 78.237 1.00 0.00 H new ATOM 0 HG2 GLU A 62 60.296 120.821 77.955 1.00 0.00 H new ATOM 0 HG3 GLU A 62 60.742 120.123 76.411 1.00 0.00 H new ATOM 907 N GLN A 63 60.081 116.711 80.170 1.00 0.00 N ATOM 908 CA GLN A 63 59.562 115.505 80.886 1.00 0.00 C ATOM 909 C GLN A 63 58.328 115.854 81.726 1.00 0.00 C ATOM 910 O GLN A 63 58.285 116.868 82.398 1.00 0.00 O ATOM 911 CB GLN A 63 60.715 115.037 81.793 1.00 0.00 C ATOM 912 CG GLN A 63 61.190 116.172 82.706 1.00 0.00 C ATOM 913 CD GLN A 63 62.068 115.596 83.819 1.00 0.00 C ATOM 914 OE1 GLN A 63 61.939 114.442 84.176 1.00 0.00 O ATOM 915 NE2 GLN A 63 62.963 116.358 84.388 1.00 0.00 N ATOM 0 H GLN A 63 60.577 117.381 80.758 1.00 0.00 H new ATOM 0 HA GLN A 63 59.253 114.729 80.186 1.00 0.00 H new ATOM 0 HB2 GLN A 63 60.387 114.192 82.398 1.00 0.00 H new ATOM 0 HB3 GLN A 63 61.545 114.687 81.180 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.751 116.907 82.129 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.333 116.691 83.136 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.072 117.327 84.089 1.00 0.00 H new ATOM 0 HE22 GLN A 63 63.553 115.984 85.131 1.00 0.00 H new ATOM 924 N VAL A 64 57.322 115.020 81.681 1.00 37.94 N ATOM 925 CA VAL A 64 56.080 115.291 82.468 1.00 37.05 C ATOM 926 C VAL A 64 55.706 114.055 83.289 1.00 36.89 C ATOM 927 O VAL A 64 55.673 112.951 82.788 1.00 36.32 O ATOM 928 CB VAL A 64 55.000 115.611 81.428 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.674 115.907 82.135 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.422 116.837 80.613 1.00 35.74 C ATOM 0 H VAL A 64 57.306 114.160 81.132 1.00 37.94 H new ATOM 0 HA VAL A 64 56.205 116.113 83.172 1.00 37.05 H new ATOM 0 HB VAL A 64 54.875 114.755 80.765 1.00 36.50 H new ATOM 0 HG11 VAL A 64 52.909 116.134 81.393 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.369 115.037 82.716 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.799 116.761 82.800 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.654 117.064 79.874 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.549 117.691 81.279 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.364 116.630 80.106 1.00 35.74 H new ATOM 940 N ASP A 65 55.435 114.244 84.554 1.00 0.00 N ATOM 941 CA ASP A 65 55.074 113.095 85.440 1.00 0.00 C ATOM 942 C ASP A 65 53.721 113.344 86.114 1.00 0.00 C ATOM 943 O ASP A 65 53.507 114.368 86.735 1.00 0.00 O ATOM 944 CB ASP A 65 56.196 113.032 86.486 1.00 0.00 C ATOM 945 CG ASP A 65 56.274 114.355 87.258 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.500 115.375 86.627 1.00 0.00 O ATOM 947 OD2 ASP A 65 56.107 114.323 88.466 1.00 0.00 O ATOM 0 H ASP A 65 55.448 115.153 85.016 1.00 0.00 H new ATOM 0 HA ASP A 65 54.981 112.161 84.885 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.013 112.209 87.177 1.00 0.00 H new ATOM 0 HB3 ASP A 65 57.149 112.831 85.996 1.00 0.00 H new ATOM 952 N GLY A 66 52.812 112.407 86.002 1.00 31.82 N ATOM 953 CA GLY A 66 51.474 112.575 86.639 1.00 29.07 C ATOM 954 C GLY A 66 50.925 111.203 87.039 1.00 27.67 C ATOM 955 O GLY A 66 51.206 110.204 86.404 1.00 27.18 O ATOM 0 H GLY A 66 52.942 111.532 85.495 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.555 113.216 87.517 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.789 113.066 85.948 1.00 29.07 H new ATOM 959 N GLU A 67 50.145 111.148 88.089 1.00 0.00 N ATOM 960 CA GLU A 67 49.572 109.842 88.539 1.00 0.00 C ATOM 961 C GLU A 67 48.445 109.405 87.599 1.00 0.00 C ATOM 962 O GLU A 67 47.818 110.218 86.949 1.00 0.00 O ATOM 963 CB GLU A 67 49.025 110.107 89.944 1.00 0.00 C ATOM 964 CG GLU A 67 48.473 108.804 90.533 1.00 0.00 C ATOM 965 CD GLU A 67 47.921 109.055 91.943 1.00 0.00 C ATOM 966 OE1 GLU A 67 48.302 110.045 92.549 1.00 0.00 O ATOM 967 OE2 GLU A 67 47.128 108.246 92.397 1.00 0.00 O ATOM 0 H GLU A 67 49.879 111.953 88.656 1.00 0.00 H new ATOM 0 HA GLU A 67 50.316 109.045 88.536 1.00 0.00 H new ATOM 0 HB2 GLU A 67 49.814 110.502 90.584 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.239 110.862 89.903 1.00 0.00 H new ATOM 0 HG2 GLU A 67 47.685 108.410 89.890 1.00 0.00 H new ATOM 0 HG3 GLU A 67 49.260 108.051 90.571 1.00 0.00 H new ATOM 974 N GLY A 68 48.172 108.124 87.535 1.00 22.62 N ATOM 975 CA GLY A 68 47.072 107.612 86.656 1.00 22.36 C ATOM 976 C GLY A 68 47.198 108.162 85.231 1.00 20.38 C ATOM 977 O GLY A 68 48.168 108.805 84.880 1.00 21.93 O ATOM 0 H GLY A 68 48.669 107.404 88.059 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.100 106.523 86.632 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.107 107.897 87.074 1.00 22.36 H new ATOM 981 N VAL A 69 46.205 107.915 84.418 1.00 17.51 N ATOM 982 CA VAL A 69 46.216 108.412 83.007 1.00 15.40 C ATOM 983 C VAL A 69 44.901 109.135 82.708 1.00 17.02 C ATOM 984 O VAL A 69 43.828 108.624 82.942 1.00 17.35 O ATOM 985 CB VAL A 69 46.374 107.174 82.110 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.790 106.618 82.258 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.358 106.091 82.498 1.00 8.21 C ATOM 0 H VAL A 69 45.374 107.382 84.674 1.00 17.51 H new ATOM 0 HA VAL A 69 47.027 109.119 82.833 1.00 15.40 H new ATOM 0 HB VAL A 69 46.195 107.467 81.075 1.00 12.26 H new ATOM 0 HG11 VAL A 69 47.904 105.740 81.623 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.512 107.378 81.960 1.00 8.73 H new ATOM 0 HG13 VAL A 69 47.965 106.339 83.297 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.486 105.223 81.851 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.518 105.797 83.535 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.347 106.483 82.383 1.00 8.21 H new ATOM 997 N VAL A 70 45.007 110.339 82.203 1.00 17.68 N ATOM 998 CA VAL A 70 43.811 111.192 81.868 1.00 16.81 C ATOM 999 C VAL A 70 42.714 111.094 82.953 1.00 17.08 C ATOM 1000 O VAL A 70 41.533 111.145 82.671 1.00 16.77 O ATOM 1001 CB VAL A 70 43.307 110.743 80.478 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.461 110.762 79.463 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.706 109.336 80.550 1.00 20.55 C ATOM 0 H VAL A 70 45.902 110.785 82.001 1.00 17.68 H new ATOM 0 HA VAL A 70 44.088 112.246 81.840 1.00 16.81 H new ATOM 0 HB VAL A 70 42.533 111.439 80.154 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.093 110.444 78.488 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.862 111.773 79.387 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.247 110.083 79.793 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.357 109.038 79.561 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.465 108.633 80.894 1.00 20.55 H new ATOM 0 HG23 VAL A 70 41.868 109.334 81.247 1.00 20.55 H new ATOM 1013 N GLY A 71 43.121 110.999 84.197 1.00 17.30 N ATOM 1014 CA GLY A 71 42.146 110.949 85.334 1.00 16.44 C ATOM 1015 C GLY A 71 41.592 109.538 85.586 1.00 18.03 C ATOM 1016 O GLY A 71 40.594 109.388 86.269 1.00 18.29 O ATOM 0 H GLY A 71 44.101 110.953 84.476 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.633 111.309 86.240 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.318 111.627 85.126 1.00 16.44 H new ATOM 1020 N GLU A 72 42.211 108.506 85.065 1.00 0.00 N ATOM 1021 CA GLU A 72 41.675 107.125 85.320 1.00 0.00 C ATOM 1022 C GLU A 72 42.795 106.084 85.425 1.00 0.00 C ATOM 1023 O GLU A 72 43.844 106.207 84.825 1.00 0.00 O ATOM 1024 CB GLU A 72 40.749 106.805 84.144 1.00 0.00 C ATOM 1025 CG GLU A 72 41.525 106.873 82.833 1.00 0.00 C ATOM 1026 CD GLU A 72 40.663 106.314 81.700 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.539 105.103 81.620 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.141 107.106 80.934 1.00 0.00 O ATOM 0 H GLU A 72 43.048 108.554 84.485 1.00 0.00 H new ATOM 0 HA GLU A 72 41.146 107.092 86.273 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.319 105.812 84.270 1.00 0.00 H new ATOM 0 HB3 GLU A 72 39.919 107.511 84.122 1.00 0.00 H new ATOM 0 HG2 GLU A 72 41.805 107.904 82.617 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.450 106.303 82.916 1.00 0.00 H new ATOM 1035 N GLN A 73 42.551 105.052 86.188 1.00 13.09 N ATOM 1036 CA GLN A 73 43.550 103.959 86.368 1.00 15.45 C ATOM 1037 C GLN A 73 42.981 102.662 85.773 1.00 15.30 C ATOM 1038 O GLN A 73 42.552 101.783 86.497 1.00 16.40 O ATOM 1039 CB GLN A 73 43.709 103.826 87.885 1.00 18.12 C ATOM 1040 CG GLN A 73 44.455 105.047 88.429 1.00 18.21 C ATOM 1041 CD GLN A 73 44.403 105.037 89.957 1.00 16.98 C ATOM 1042 OE1 GLN A 73 43.612 105.740 90.554 1.00 18.14 O ATOM 1043 NE2 GLN A 73 45.218 104.263 90.621 1.00 14.04 N ATOM 0 H GLN A 73 41.682 104.918 86.705 1.00 13.09 H new ATOM 0 HA GLN A 73 44.502 104.161 85.877 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.730 103.744 88.358 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.257 102.915 88.125 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.491 105.035 88.090 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.005 105.962 88.045 1.00 18.21 H new ATOM 0 HE21 GLN A 73 45.882 103.673 90.120 1.00 14.04 H new ATOM 0 HE22 GLN A 73 45.191 104.249 91.641 1.00 14.04 H new ATOM 1052 N PRO A 74 42.966 102.600 84.459 1.00 15.25 N ATOM 1053 CA PRO A 74 42.396 101.390 83.797 1.00 16.63 C ATOM 1054 C PRO A 74 43.099 100.101 84.240 1.00 17.41 C ATOM 1055 O PRO A 74 44.307 100.048 84.388 1.00 17.61 O ATOM 1056 CB PRO A 74 42.630 101.636 82.309 1.00 16.18 C ATOM 1057 CG PRO A 74 43.789 102.570 82.254 1.00 16.38 C ATOM 1058 CD PRO A 74 43.709 103.426 83.486 1.00 13.89 C ATOM 0 HA PRO A 74 41.346 101.251 84.053 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.847 100.706 81.784 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.749 102.071 81.837 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.729 102.019 82.225 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.751 103.183 81.353 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.701 103.682 83.858 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.192 104.365 83.285 1.00 13.89 H new ATOM 1066 N TRP A 75 42.333 99.057 84.425 1.00 0.00 N ATOM 1067 CA TRP A 75 42.904 97.739 84.830 1.00 0.00 C ATOM 1068 C TRP A 75 42.963 96.835 83.597 1.00 0.00 C ATOM 1069 O TRP A 75 42.125 95.971 83.409 1.00 0.00 O ATOM 1070 CB TRP A 75 41.918 97.184 85.860 1.00 0.00 C ATOM 1071 CG TRP A 75 42.599 96.160 86.713 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.497 96.435 87.685 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.447 94.711 86.693 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.911 95.247 88.260 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.292 94.156 87.683 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.669 93.831 85.918 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.361 92.779 87.899 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.736 92.445 86.134 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.580 91.921 87.121 1.00 0.00 C ATOM 0 H TRP A 75 41.319 99.063 84.310 1.00 0.00 H new ATOM 0 HA TRP A 75 43.911 97.811 85.242 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.535 97.992 86.482 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.062 96.738 85.354 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.836 97.421 87.967 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.591 95.185 89.018 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.016 94.224 85.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 44.013 92.380 88.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.133 91.779 85.535 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.627 90.854 87.281 1.00 0.00 H new ATOM 1090 N LEU A 76 43.928 97.051 82.740 1.00 18.07 N ATOM 1091 CA LEU A 76 44.027 96.233 81.494 1.00 17.96 C ATOM 1092 C LEU A 76 44.184 94.745 81.808 1.00 19.47 C ATOM 1093 O LEU A 76 45.164 94.320 82.390 1.00 20.57 O ATOM 1094 CB LEU A 76 45.262 96.758 80.759 1.00 16.79 C ATOM 1095 CG LEU A 76 45.024 96.679 79.250 1.00 17.27 C ATOM 1096 CD1 LEU A 76 43.901 97.642 78.857 1.00 13.86 C ATOM 1097 CD2 LEU A 76 46.304 97.066 78.507 1.00 15.14 C ATOM 0 H LEU A 76 44.653 97.760 82.850 1.00 18.07 H new ATOM 0 HA LEU A 76 43.121 96.322 80.894 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.464 97.788 81.053 1.00 16.79 H new ATOM 0 HB3 LEU A 76 46.139 96.171 81.032 1.00 16.79 H new ATOM 0 HG LEU A 76 44.742 95.660 78.984 1.00 17.27 H new ATOM 0 HD11 LEU A 76 43.732 97.585 77.782 1.00 13.86 H new ATOM 0 HD12 LEU A 76 42.986 97.368 79.383 1.00 13.86 H new ATOM 0 HD13 LEU A 76 44.184 98.660 79.126 1.00 13.86 H new ATOM 0 HD21 LEU A 76 46.132 97.009 77.432 1.00 15.14 H new ATOM 0 HD22 LEU A 76 46.587 98.084 78.776 1.00 15.14 H new ATOM 0 HD23 LEU A 76 47.106 96.381 78.783 1.00 15.14 H new ATOM 1109 N ARG A 77 43.230 93.953 81.396 1.00 0.00 N ATOM 1110 CA ARG A 77 43.308 92.482 81.628 1.00 0.00 C ATOM 1111 C ARG A 77 44.098 91.841 80.481 1.00 0.00 C ATOM 1112 O ARG A 77 44.180 92.412 79.410 1.00 0.00 O ATOM 1113 CB ARG A 77 41.856 91.995 81.621 1.00 0.00 C ATOM 1114 CG ARG A 77 41.397 91.717 83.054 1.00 0.00 C ATOM 1115 CD ARG A 77 40.083 90.932 83.027 1.00 0.00 C ATOM 1116 NE ARG A 77 40.453 89.574 82.538 1.00 0.00 N ATOM 1117 CZ ARG A 77 39.656 88.563 82.755 1.00 0.00 C ATOM 1118 NH1 ARG A 77 39.478 88.122 83.971 1.00 0.00 N ATOM 1119 NH2 ARG A 77 39.038 87.993 81.757 1.00 0.00 N ATOM 0 H ARG A 77 42.393 94.266 80.904 1.00 0.00 H new ATOM 0 HA ARG A 77 43.807 92.224 82.562 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.213 92.746 81.162 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.769 91.090 81.019 1.00 0.00 H new ATOM 0 HG2 ARG A 77 42.160 91.151 83.588 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.261 92.655 83.592 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.631 90.885 84.018 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.355 91.404 82.367 1.00 0.00 H new ATOM 0 HE ARG A 77 41.329 89.434 82.034 1.00 0.00 H new ATOM 0 HH11 ARG A 77 39.962 88.567 84.751 1.00 0.00 H new ATOM 0 HH12 ARG A 77 38.855 87.332 84.141 1.00 0.00 H new ATOM 0 HH21 ARG A 77 39.178 88.337 80.807 1.00 0.00 H new ATOM 0 HH22 ARG A 77 38.415 87.203 81.927 1.00 0.00 H new ATOM 1133 N PRO A 78 44.663 90.679 80.734 1.00 23.86 N ATOM 1134 CA PRO A 78 45.453 90.019 79.646 1.00 24.22 C ATOM 1135 C PRO A 78 44.623 89.905 78.356 1.00 24.36 C ATOM 1136 O PRO A 78 43.521 89.391 78.350 1.00 22.27 O ATOM 1137 CB PRO A 78 45.793 88.644 80.208 1.00 25.39 C ATOM 1138 CG PRO A 78 44.732 88.376 81.221 1.00 27.04 C ATOM 1139 CD PRO A 78 44.331 89.710 81.794 1.00 25.13 C ATOM 0 HA PRO A 78 46.344 90.585 79.375 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.794 87.885 79.425 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.784 88.635 80.661 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.877 87.879 80.763 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.103 87.715 82.004 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.269 89.735 82.037 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.873 89.926 82.714 1.00 25.13 H new ATOM 1147 N GLY A 79 45.166 90.390 77.269 1.00 24.74 N ATOM 1148 CA GLY A 79 44.445 90.327 75.962 1.00 23.79 C ATOM 1149 C GLY A 79 43.554 91.567 75.772 1.00 23.44 C ATOM 1150 O GLY A 79 43.143 91.869 74.668 1.00 22.44 O ATOM 0 H GLY A 79 46.085 90.830 77.231 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.165 90.262 75.146 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.835 89.425 75.921 1.00 23.79 H new ATOM 1154 N GLU A 80 43.256 92.292 76.829 1.00 23.31 N ATOM 1155 CA GLU A 80 42.398 93.510 76.689 1.00 21.90 C ATOM 1156 C GLU A 80 43.265 94.735 76.375 1.00 20.95 C ATOM 1157 O GLU A 80 44.473 94.703 76.518 1.00 19.52 O ATOM 1158 CB GLU A 80 41.699 93.669 78.040 1.00 23.06 C ATOM 1159 CG GLU A 80 40.739 94.861 77.985 1.00 23.88 C ATOM 1160 CD GLU A 80 39.929 94.942 79.285 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.768 93.918 79.932 1.00 29.38 O ATOM 1162 OE2 GLU A 80 39.484 96.030 79.612 1.00 25.91 O ATOM 0 H GLU A 80 43.570 92.091 77.778 1.00 23.31 H new ATOM 0 HA GLU A 80 41.679 93.416 75.875 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.151 92.759 78.287 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.438 93.820 78.827 1.00 23.06 H new ATOM 0 HG2 GLU A 80 41.300 95.784 77.838 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.066 94.758 77.133 1.00 23.88 H new ATOM 1169 N ALA A 81 42.655 95.810 75.939 1.00 0.00 N ATOM 1170 CA ALA A 81 43.434 97.038 75.604 1.00 0.00 C ATOM 1171 C ALA A 81 42.602 98.295 75.896 1.00 0.00 C ATOM 1172 O ALA A 81 41.387 98.272 75.844 1.00 0.00 O ATOM 1173 CB ALA A 81 43.738 96.925 74.110 1.00 0.00 C ATOM 0 H ALA A 81 41.647 95.888 75.801 1.00 0.00 H new ATOM 0 HA ALA A 81 44.345 97.120 76.197 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.311 97.795 73.788 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.317 96.020 73.924 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.803 96.879 73.551 1.00 0.00 H new ATOM 1179 N PHE A 82 43.255 99.394 76.185 1.00 18.56 N ATOM 1180 CA PHE A 82 42.522 100.666 76.462 1.00 17.00 C ATOM 1181 C PHE A 82 42.944 101.718 75.430 1.00 16.61 C ATOM 1182 O PHE A 82 44.070 101.711 74.966 1.00 15.77 O ATOM 1183 CB PHE A 82 42.958 101.072 77.874 1.00 13.41 C ATOM 1184 CG PHE A 82 42.311 102.384 78.254 1.00 12.03 C ATOM 1185 CD1 PHE A 82 41.062 102.392 78.885 1.00 10.24 C ATOM 1186 CD2 PHE A 82 42.960 103.592 77.971 1.00 12.24 C ATOM 1187 CE1 PHE A 82 40.462 103.607 79.235 1.00 10.01 C ATOM 1188 CE2 PHE A 82 42.359 104.808 78.321 1.00 8.77 C ATOM 1189 CZ PHE A 82 41.111 104.814 78.952 1.00 9.06 C ATOM 0 H PHE A 82 44.271 99.464 76.241 1.00 18.56 H new ATOM 0 HA PHE A 82 41.439 100.563 76.397 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.677 100.298 78.588 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.043 101.166 77.916 1.00 13.41 H new ATOM 0 HD1 PHE A 82 40.561 101.460 79.102 1.00 10.24 H new ATOM 0 HD2 PHE A 82 43.923 103.586 77.483 1.00 12.24 H new ATOM 0 HE1 PHE A 82 39.499 103.613 79.723 1.00 10.01 H new ATOM 0 HE2 PHE A 82 42.859 105.740 78.104 1.00 8.77 H new ATOM 0 HZ PHE A 82 40.647 105.752 79.221 1.00 9.06 H new ATOM 1199 N HIS A 83 42.062 102.616 75.056 1.00 0.00 N ATOM 1200 CA HIS A 83 42.444 103.650 74.041 1.00 0.00 C ATOM 1201 C HIS A 83 41.880 105.025 74.424 1.00 0.00 C ATOM 1202 O HIS A 83 40.744 105.144 74.843 1.00 0.00 O ATOM 1203 CB HIS A 83 41.819 103.173 72.724 1.00 0.00 C ATOM 1204 CG HIS A 83 42.316 101.792 72.381 1.00 0.00 C ATOM 1205 ND1 HIS A 83 41.852 100.658 73.030 1.00 0.00 N ATOM 1206 CD2 HIS A 83 43.231 101.347 71.460 1.00 0.00 C ATOM 1207 CE1 HIS A 83 42.483 99.597 72.494 1.00 0.00 C ATOM 1208 NE2 HIS A 83 43.335 99.961 71.532 1.00 0.00 N ATOM 0 H HIS A 83 41.106 102.678 75.405 1.00 0.00 H new ATOM 0 HA HIS A 83 43.526 103.760 73.969 1.00 0.00 H new ATOM 0 HB2 HIS A 83 40.732 103.165 72.811 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.070 103.867 71.922 1.00 0.00 H new ATOM 0 HD2 HIS A 83 43.787 101.977 70.782 1.00 0.00 H new ATOM 0 HE1 HIS A 83 42.320 98.575 72.804 1.00 0.00 H new ATOM 0 HE2 HIS A 83 43.933 99.354 70.971 1.00 0.00 H new ATOM 1216 N TYR A 84 42.663 106.064 74.261 1.00 21.96 N ATOM 1217 CA TYR A 84 42.174 107.440 74.587 1.00 22.81 C ATOM 1218 C TYR A 84 42.887 108.475 73.701 1.00 25.11 C ATOM 1219 O TYR A 84 43.939 108.208 73.150 1.00 26.65 O ATOM 1220 CB TYR A 84 42.480 107.656 76.079 1.00 19.35 C ATOM 1221 CG TYR A 84 43.972 107.714 76.329 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.684 106.539 76.592 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.637 108.947 76.312 1.00 15.59 C ATOM 1224 CE1 TYR A 84 46.062 106.595 76.835 1.00 9.20 C ATOM 1225 CE2 TYR A 84 46.014 109.002 76.557 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.727 107.826 76.818 1.00 12.19 C ATOM 1227 OH TYR A 84 48.083 107.881 77.062 1.00 13.46 O ATOM 0 H TYR A 84 43.622 106.018 73.916 1.00 21.96 H new ATOM 0 HA TYR A 84 41.107 107.554 74.397 1.00 22.81 H new ATOM 0 HB2 TYR A 84 42.016 108.582 76.418 1.00 19.35 H new ATOM 0 HB3 TYR A 84 42.042 106.847 76.664 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.171 105.589 76.608 1.00 12.01 H new ATOM 0 HD2 TYR A 84 44.087 109.855 76.110 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.612 105.687 77.036 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.527 109.952 76.545 1.00 14.00 H new ATOM 0 HH TYR A 84 48.387 108.811 77.011 1.00 13.46 H new ATOM 1237 N THR A 85 42.317 109.645 73.555 1.00 26.58 N ATOM 1238 CA THR A 85 42.954 110.691 72.697 1.00 26.99 C ATOM 1239 C THR A 85 43.617 111.772 73.558 1.00 28.14 C ATOM 1240 O THR A 85 43.066 112.214 74.549 1.00 27.02 O ATOM 1241 CB THR A 85 41.806 111.287 71.881 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.142 110.248 71.174 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.358 112.311 70.889 1.00 21.76 C ATOM 0 H THR A 85 41.438 109.921 73.993 1.00 26.58 H new ATOM 0 HA THR A 85 43.737 110.275 72.063 1.00 26.99 H new ATOM 0 HB THR A 85 41.101 111.780 72.551 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.405 110.627 70.652 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.538 112.734 70.309 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.866 113.107 71.433 1.00 21.76 H new ATOM 0 HG23 THR A 85 43.064 111.823 70.217 1.00 21.76 H new ATOM 1251 N SER A 86 44.798 112.199 73.181 1.00 29.06 N ATOM 1252 CA SER A 86 45.508 113.253 73.966 1.00 29.05 C ATOM 1253 C SER A 86 45.882 114.428 73.053 1.00 29.43 C ATOM 1254 O SER A 86 45.833 114.311 71.838 1.00 29.12 O ATOM 1255 CB SER A 86 46.764 112.561 74.481 1.00 29.12 C ATOM 1256 OG SER A 86 47.652 113.538 75.006 1.00 33.88 O ATOM 0 H SER A 86 45.301 111.861 72.361 1.00 29.06 H new ATOM 0 HA SER A 86 44.897 113.659 74.772 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.504 111.836 75.252 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.247 112.009 73.674 1.00 29.12 H new ATOM 0 HG SER A 86 48.511 113.484 74.538 1.00 33.88 H new ATOM 1262 N GLY A 87 46.273 115.550 73.614 1.00 29.08 N ATOM 1263 CA GLY A 87 46.656 116.716 72.760 1.00 29.89 C ATOM 1264 C GLY A 87 47.935 117.373 73.294 1.00 31.80 C ATOM 1265 O GLY A 87 48.026 117.730 74.452 1.00 31.40 O ATOM 0 H GLY A 87 46.342 115.706 74.620 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.810 116.387 71.732 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.845 117.444 72.743 1.00 29.89 H new ATOM 1269 N VAL A 88 48.917 117.543 72.445 1.00 0.00 N ATOM 1270 CA VAL A 88 50.199 118.189 72.871 1.00 0.00 C ATOM 1271 C VAL A 88 50.582 119.278 71.858 1.00 0.00 C ATOM 1272 O VAL A 88 50.288 119.173 70.683 1.00 0.00 O ATOM 1273 CB VAL A 88 51.241 117.057 72.890 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.645 117.627 73.134 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.906 116.078 74.018 1.00 0.00 C ATOM 0 H VAL A 88 48.886 117.260 71.466 1.00 0.00 H new ATOM 0 HA VAL A 88 50.125 118.669 73.847 1.00 0.00 H new ATOM 0 HB VAL A 88 51.221 116.547 71.927 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.371 116.814 73.145 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.897 118.328 72.338 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.666 118.145 74.093 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.643 115.275 74.034 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.922 116.604 74.973 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.914 115.657 73.852 1.00 0.00 H new ATOM 1285 N LEU A 89 51.231 120.322 72.312 1.00 0.00 N ATOM 1286 CA LEU A 89 51.629 121.423 71.383 1.00 0.00 C ATOM 1287 C LEU A 89 53.149 121.433 71.192 1.00 0.00 C ATOM 1288 O LEU A 89 53.900 121.160 72.110 1.00 0.00 O ATOM 1289 CB LEU A 89 51.164 122.708 72.070 1.00 0.00 C ATOM 1290 CG LEU A 89 51.409 123.899 71.145 1.00 0.00 C ATOM 1291 CD1 LEU A 89 50.303 123.963 70.090 1.00 0.00 C ATOM 1292 CD2 LEU A 89 51.404 125.191 71.966 1.00 0.00 C ATOM 0 H LEU A 89 51.502 120.459 73.286 1.00 0.00 H new ATOM 0 HA LEU A 89 51.188 121.308 70.393 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.105 122.638 72.317 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.701 122.846 73.008 1.00 0.00 H new ATOM 0 HG LEU A 89 52.375 123.783 70.653 1.00 0.00 H new ATOM 0 HD11 LEU A 89 50.478 124.813 69.430 1.00 0.00 H new ATOM 0 HD12 LEU A 89 50.304 123.043 69.505 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.337 124.079 70.582 1.00 0.00 H new ATOM 0 HD21 LEU A 89 51.579 126.041 71.307 1.00 0.00 H new ATOM 0 HD22 LEU A 89 50.438 125.306 72.458 1.00 0.00 H new ATOM 0 HD23 LEU A 89 52.192 125.147 72.718 1.00 0.00 H new ATOM 1304 N LEU A 90 53.605 121.739 70.004 1.00 37.85 N ATOM 1305 CA LEU A 90 55.077 121.759 69.743 1.00 36.74 C ATOM 1306 C LEU A 90 55.507 123.133 69.223 1.00 35.30 C ATOM 1307 O LEU A 90 54.750 123.814 68.558 1.00 35.10 O ATOM 1308 CB LEU A 90 55.300 120.687 68.678 1.00 38.41 C ATOM 1309 CG LEU A 90 55.074 119.307 69.296 1.00 38.68 C ATOM 1310 CD1 LEU A 90 55.048 118.249 68.192 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.210 118.997 70.275 1.00 38.08 C ATOM 0 H LEU A 90 53.021 121.976 69.202 1.00 37.85 H new ATOM 0 HA LEU A 90 55.660 121.568 70.644 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.617 120.840 67.842 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.312 120.759 68.280 1.00 38.41 H new ATOM 0 HG LEU A 90 54.122 119.298 69.827 1.00 38.68 H new ATOM 0 HD11 LEU A 90 54.887 117.266 68.634 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.240 118.470 67.495 1.00 37.80 H new ATOM 0 HD13 LEU A 90 55.999 118.256 67.659 1.00 37.80 H new ATOM 0 HD21 LEU A 90 56.051 118.013 70.717 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.161 119.006 69.743 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.227 119.750 71.063 1.00 38.08 H new ATOM 1323 N GLU A 91 56.710 123.550 69.527 1.00 0.00 N ATOM 1324 CA GLU A 91 57.188 124.886 69.053 1.00 0.00 C ATOM 1325 C GLU A 91 57.558 124.831 67.566 1.00 0.00 C ATOM 1326 O GLU A 91 57.512 125.833 66.876 1.00 0.00 O ATOM 1327 CB GLU A 91 58.424 125.192 69.904 1.00 0.00 C ATOM 1328 CG GLU A 91 58.960 126.583 69.548 1.00 0.00 C ATOM 1329 CD GLU A 91 60.199 126.903 70.394 1.00 0.00 C ATOM 1330 OE1 GLU A 91 60.373 126.278 71.430 1.00 0.00 O ATOM 1331 OE2 GLU A 91 60.953 127.774 69.994 1.00 0.00 O ATOM 0 H GLU A 91 57.383 123.023 70.083 1.00 0.00 H new ATOM 0 HA GLU A 91 56.421 125.653 69.155 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.169 125.149 70.963 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.193 124.439 69.731 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.213 126.624 68.489 1.00 0.00 H new ATOM 0 HG3 GLU A 91 58.189 127.334 69.720 1.00 0.00 H new ATOM 1338 N THR A 92 57.929 123.675 67.070 1.00 31.63 N ATOM 1339 CA THR A 92 58.305 123.568 65.625 1.00 28.98 C ATOM 1340 C THR A 92 57.430 122.527 64.917 1.00 28.33 C ATOM 1341 O THR A 92 56.665 121.816 65.541 1.00 29.20 O ATOM 1342 CB THR A 92 59.773 123.139 65.621 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.491 123.904 66.579 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.370 123.368 64.232 1.00 25.50 C ATOM 0 H THR A 92 57.988 122.805 67.600 1.00 31.63 H new ATOM 0 HA THR A 92 58.159 124.509 65.094 1.00 28.98 H new ATOM 0 HB THR A 92 59.843 122.081 65.874 1.00 29.53 H new ATOM 0 HG1 THR A 92 61.432 123.629 66.579 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.416 123.062 64.231 1.00 25.50 H new ATOM 0 HG22 THR A 92 59.819 122.780 63.498 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.301 124.425 63.976 1.00 25.50 H new ATOM 1352 N GLU A 93 57.528 122.454 63.614 1.00 0.00 N ATOM 1353 CA GLU A 93 56.695 121.482 62.841 1.00 0.00 C ATOM 1354 C GLU A 93 57.357 120.099 62.766 1.00 0.00 C ATOM 1355 O GLU A 93 56.886 119.230 62.053 1.00 0.00 O ATOM 1356 CB GLU A 93 56.592 122.089 61.440 1.00 0.00 C ATOM 1357 CG GLU A 93 55.434 121.433 60.681 1.00 0.00 C ATOM 1358 CD GLU A 93 55.320 122.034 59.273 1.00 0.00 C ATOM 1359 OE1 GLU A 93 55.826 123.127 59.065 1.00 0.00 O ATOM 1360 OE2 GLU A 93 54.720 121.391 58.427 1.00 0.00 O ATOM 0 H GLU A 93 58.153 123.029 63.049 1.00 0.00 H new ATOM 0 HA GLU A 93 55.724 121.328 63.313 1.00 0.00 H new ATOM 0 HB2 GLU A 93 56.432 123.165 61.509 1.00 0.00 H new ATOM 0 HB3 GLU A 93 57.526 121.940 60.898 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.596 120.357 60.614 1.00 0.00 H new ATOM 0 HG3 GLU A 93 54.501 121.582 61.225 1.00 0.00 H new ATOM 1367 N GLN A 94 58.432 119.876 63.485 1.00 0.00 N ATOM 1368 CA GLN A 94 59.096 118.535 63.433 1.00 0.00 C ATOM 1369 C GLN A 94 59.576 118.132 64.830 1.00 0.00 C ATOM 1370 O GLN A 94 59.911 118.984 65.633 1.00 0.00 O ATOM 1371 CB GLN A 94 60.285 118.716 62.480 1.00 0.00 C ATOM 1372 CG GLN A 94 61.220 119.812 63.004 1.00 0.00 C ATOM 1373 CD GLN A 94 62.288 120.117 61.954 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.002 120.159 60.773 1.00 0.00 O ATOM 1375 NE2 GLN A 94 63.518 120.335 62.335 1.00 0.00 N ATOM 0 H GLN A 94 58.875 120.558 64.100 1.00 0.00 H new ATOM 0 HA GLN A 94 58.421 117.750 63.092 1.00 0.00 H new ATOM 0 HB2 GLN A 94 60.830 117.777 62.385 1.00 0.00 H new ATOM 0 HB3 GLN A 94 59.926 118.979 61.485 1.00 0.00 H new ATOM 0 HG2 GLN A 94 60.650 120.713 63.231 1.00 0.00 H new ATOM 0 HG3 GLN A 94 61.690 119.490 63.933 1.00 0.00 H new ATOM 0 HE21 GLN A 94 63.759 120.300 63.326 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.238 120.540 61.642 1.00 0.00 H new ATOM 1384 N GLY A 95 59.625 116.853 65.134 1.00 27.89 N ATOM 1385 CA GLY A 95 60.101 116.452 66.493 1.00 28.05 C ATOM 1386 C GLY A 95 59.959 114.946 66.732 1.00 27.70 C ATOM 1387 O GLY A 95 59.256 114.243 66.033 1.00 25.89 O ATOM 0 H GLY A 95 59.362 116.088 64.513 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.146 116.740 66.610 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.534 116.994 67.250 1.00 28.05 H new ATOM 1391 N GLN A 96 60.630 114.466 67.748 1.00 0.00 N ATOM 1392 CA GLN A 96 60.571 113.019 68.110 1.00 0.00 C ATOM 1393 C GLN A 96 60.073 112.871 69.553 1.00 0.00 C ATOM 1394 O GLN A 96 60.534 113.554 70.448 1.00 0.00 O ATOM 1395 CB GLN A 96 62.014 112.508 67.974 1.00 0.00 C ATOM 1396 CG GLN A 96 62.957 113.294 68.893 1.00 0.00 C ATOM 1397 CD GLN A 96 64.382 112.761 68.733 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.585 111.573 68.583 1.00 0.00 O ATOM 1399 NE2 GLN A 96 65.384 113.596 68.760 1.00 0.00 N ATOM 0 H GLN A 96 61.228 115.029 68.353 1.00 0.00 H new ATOM 0 HA GLN A 96 59.889 112.455 67.474 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.055 111.448 68.224 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.343 112.604 66.939 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.924 114.355 68.645 1.00 0.00 H new ATOM 0 HG3 GLN A 96 62.635 113.199 69.930 1.00 0.00 H new ATOM 0 HE21 GLN A 96 65.213 114.594 68.886 1.00 0.00 H new ATOM 0 HE22 GLN A 96 66.338 113.251 68.655 1.00 0.00 H new ATOM 1408 N MET A 97 59.114 112.006 69.782 1.00 0.00 N ATOM 1409 CA MET A 97 58.569 111.842 71.165 1.00 0.00 C ATOM 1410 C MET A 97 58.592 110.372 71.606 1.00 0.00 C ATOM 1411 O MET A 97 57.976 109.521 70.994 1.00 0.00 O ATOM 1412 CB MET A 97 57.126 112.347 71.067 1.00 0.00 C ATOM 1413 CG MET A 97 56.445 112.248 72.434 1.00 0.00 C ATOM 1414 SD MET A 97 54.912 113.212 72.418 1.00 0.00 S ATOM 1415 CE MET A 97 54.308 112.704 74.046 1.00 0.00 C ATOM 0 H MET A 97 58.687 111.409 69.074 1.00 0.00 H new ATOM 0 HA MET A 97 59.160 112.386 71.902 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.116 113.380 70.720 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.575 111.759 70.333 1.00 0.00 H new ATOM 0 HG2 MET A 97 56.229 111.206 72.670 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.112 112.619 73.212 1.00 0.00 H new ATOM 0 HE1 MET A 97 53.897 113.568 74.568 1.00 0.00 H new ATOM 0 HE2 MET A 97 53.531 111.949 73.926 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.132 112.288 74.626 1.00 0.00 H new ATOM 1425 N GLN A 98 59.277 110.076 72.683 1.00 0.00 N ATOM 1426 CA GLN A 98 59.331 108.679 73.207 1.00 0.00 C ATOM 1427 C GLN A 98 58.967 108.718 74.693 1.00 0.00 C ATOM 1428 O GLN A 98 59.252 109.691 75.366 1.00 0.00 O ATOM 1429 CB GLN A 98 60.785 108.240 73.023 1.00 0.00 C ATOM 1430 CG GLN A 98 60.918 106.754 73.361 1.00 0.00 C ATOM 1431 CD GLN A 98 62.371 106.313 73.173 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.113 106.922 72.428 1.00 0.00 O ATOM 1433 NE2 GLN A 98 62.811 105.269 73.821 1.00 0.00 N ATOM 0 H GLN A 98 59.808 110.755 73.228 1.00 0.00 H new ATOM 0 HA GLN A 98 58.647 107.997 72.702 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.103 108.420 71.996 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.438 108.830 73.666 1.00 0.00 H new ATOM 0 HG2 GLN A 98 60.603 106.575 74.389 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.263 106.165 72.720 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.189 104.757 74.447 1.00 0.00 H new ATOM 0 HE22 GLN A 98 63.777 104.965 73.702 1.00 0.00 H new ATOM 1442 N GLY A 99 58.336 107.693 75.220 1.00 29.62 N ATOM 1443 CA GLY A 99 57.965 107.734 76.673 1.00 28.62 C ATOM 1444 C GLY A 99 57.687 106.329 77.199 1.00 28.62 C ATOM 1445 O GLY A 99 57.778 105.359 76.478 1.00 29.22 O ATOM 0 H GLY A 99 58.066 106.846 74.719 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.772 108.189 77.247 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.084 108.360 76.811 1.00 28.62 H new ATOM 1449 N HIS A 100 57.347 106.220 78.462 1.00 0.00 N ATOM 1450 CA HIS A 100 57.050 104.877 79.043 1.00 0.00 C ATOM 1451 C HIS A 100 55.864 104.955 80.015 1.00 0.00 C ATOM 1452 O HIS A 100 55.536 106.005 80.534 1.00 0.00 O ATOM 1453 CB HIS A 100 58.329 104.433 79.762 1.00 0.00 C ATOM 1454 CG HIS A 100 58.731 105.448 80.798 1.00 0.00 C ATOM 1455 ND1 HIS A 100 59.477 106.571 80.479 1.00 0.00 N ATOM 1456 CD2 HIS A 100 58.518 105.510 82.153 1.00 0.00 C ATOM 1457 CE1 HIS A 100 59.687 107.255 81.618 1.00 0.00 C ATOM 1458 NE2 HIS A 100 59.125 106.652 82.669 1.00 0.00 N ATOM 0 H HIS A 100 57.263 107.002 79.112 1.00 0.00 H new ATOM 0 HA HIS A 100 56.768 104.161 78.271 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.169 103.465 80.236 1.00 0.00 H new ATOM 0 HB3 HIS A 100 59.134 104.305 79.038 1.00 0.00 H new ATOM 0 HD1 HIS A 100 59.807 106.832 79.550 1.00 0.00 H new ATOM 0 HD2 HIS A 100 57.964 104.784 82.730 1.00 0.00 H new ATOM 0 HE1 HIS A 100 60.242 108.179 81.676 1.00 0.00 H new ATOM 1466 N TYR A 101 55.216 103.840 80.251 1.00 25.77 N ATOM 1467 CA TYR A 101 54.038 103.817 81.176 1.00 25.79 C ATOM 1468 C TYR A 101 54.335 102.930 82.388 1.00 26.52 C ATOM 1469 O TYR A 101 54.721 101.787 82.235 1.00 27.05 O ATOM 1470 CB TYR A 101 52.899 103.198 80.358 1.00 24.67 C ATOM 1471 CG TYR A 101 52.246 104.226 79.458 1.00 23.27 C ATOM 1472 CD1 TYR A 101 51.943 105.513 79.933 1.00 20.31 C ATOM 1473 CD2 TYR A 101 51.934 103.881 78.137 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.329 106.444 79.088 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.323 104.815 77.293 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.020 106.095 77.769 1.00 23.58 C ATOM 1477 OH TYR A 101 50.412 107.009 76.935 1.00 25.91 O ATOM 0 H TYR A 101 55.454 102.938 79.839 1.00 25.77 H new ATOM 0 HA TYR A 101 53.794 104.813 81.546 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.286 102.377 79.755 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.153 102.775 81.031 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.184 105.784 80.950 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.165 102.892 77.769 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.094 107.432 79.454 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.085 104.548 76.274 1.00 24.17 H new ATOM 0 HH TYR A 101 49.500 107.183 77.250 1.00 25.91 H new ATOM 1487 N ASP A 102 54.122 103.415 83.587 1.00 0.00 N ATOM 1488 CA ASP A 102 54.357 102.559 84.788 1.00 0.00 C ATOM 1489 C ASP A 102 53.115 101.699 85.043 1.00 0.00 C ATOM 1490 O ASP A 102 52.016 102.197 85.197 1.00 0.00 O ATOM 1491 CB ASP A 102 54.615 103.524 85.947 1.00 0.00 C ATOM 1492 CG ASP A 102 55.060 102.738 87.183 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.610 101.616 87.344 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.845 103.274 87.949 1.00 0.00 O ATOM 0 H ASP A 102 53.797 104.362 83.784 1.00 0.00 H new ATOM 0 HA ASP A 102 55.201 101.881 84.662 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.382 104.246 85.668 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.710 104.090 86.170 1.00 0.00 H new ATOM 1499 N MET A 103 53.297 100.405 85.071 1.00 0.00 N ATOM 1500 CA MET A 103 52.153 99.471 85.296 1.00 0.00 C ATOM 1501 C MET A 103 52.431 98.559 86.492 1.00 0.00 C ATOM 1502 O MET A 103 53.559 98.414 86.924 1.00 0.00 O ATOM 1503 CB MET A 103 52.071 98.641 84.014 1.00 0.00 C ATOM 1504 CG MET A 103 51.774 99.559 82.826 1.00 0.00 C ATOM 1505 SD MET A 103 50.864 98.637 81.563 1.00 0.00 S ATOM 1506 CE MET A 103 49.237 98.720 82.350 1.00 0.00 C ATOM 0 H MET A 103 54.201 99.949 84.946 1.00 0.00 H new ATOM 0 HA MET A 103 51.226 100.004 85.510 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.010 98.111 83.851 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.291 97.886 84.107 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.191 100.419 83.154 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.704 99.945 82.410 1.00 0.00 H new ATOM 0 HE1 MET A 103 48.467 98.465 81.622 1.00 0.00 H new ATOM 0 HE2 MET A 103 49.198 98.015 83.181 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.064 99.730 82.723 1.00 0.00 H new ATOM 1516 N VAL A 104 51.407 97.940 87.022 1.00 21.01 N ATOM 1517 CA VAL A 104 51.601 97.026 88.192 1.00 21.69 C ATOM 1518 C VAL A 104 50.712 95.788 88.049 1.00 22.60 C ATOM 1519 O VAL A 104 49.523 95.892 87.808 1.00 22.32 O ATOM 1520 CB VAL A 104 51.187 97.831 89.436 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.247 98.891 89.735 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.826 98.509 89.218 1.00 23.28 C ATOM 0 H VAL A 104 50.444 98.027 86.696 1.00 21.01 H new ATOM 0 HA VAL A 104 52.633 96.683 88.262 1.00 21.69 H new ATOM 0 HB VAL A 104 51.101 97.147 90.280 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.953 99.461 90.616 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.205 98.405 89.920 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.340 99.564 88.882 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.553 99.073 90.110 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.889 99.186 88.366 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.069 97.750 89.023 1.00 23.28 H new ATOM 1532 N ALA A 105 51.275 94.619 88.209 1.00 0.00 N ATOM 1533 CA ALA A 105 50.464 93.367 88.099 1.00 0.00 C ATOM 1534 C ALA A 105 49.572 93.227 89.334 1.00 0.00 C ATOM 1535 O ALA A 105 49.750 93.919 90.318 1.00 0.00 O ATOM 1536 CB ALA A 105 51.484 92.230 88.044 1.00 0.00 C ATOM 0 H ALA A 105 52.264 94.476 88.412 1.00 0.00 H new ATOM 0 HA ALA A 105 49.815 93.365 87.223 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.962 91.277 87.963 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.132 92.364 87.178 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.087 92.237 88.952 1.00 0.00 H new ATOM 1542 N ASP A 106 48.608 92.341 89.284 1.00 0.00 N ATOM 1543 CA ASP A 106 47.698 92.164 90.459 1.00 0.00 C ATOM 1544 C ASP A 106 48.490 91.657 91.667 1.00 0.00 C ATOM 1545 O ASP A 106 48.146 91.931 92.802 1.00 0.00 O ATOM 1546 CB ASP A 106 46.667 91.122 90.019 1.00 0.00 C ATOM 1547 CG ASP A 106 45.539 91.046 91.052 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.818 91.247 92.223 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.416 90.784 90.654 1.00 0.00 O ATOM 0 H ASP A 106 48.412 91.736 88.486 1.00 0.00 H new ATOM 0 HA ASP A 106 47.225 93.100 90.756 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.262 91.387 89.042 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.143 90.147 89.913 1.00 0.00 H new ATOM 1554 N ASP A 107 49.542 90.914 91.431 1.00 0.00 N ATOM 1555 CA ASP A 107 50.356 90.378 92.567 1.00 0.00 C ATOM 1556 C ASP A 107 51.208 91.484 93.208 1.00 0.00 C ATOM 1557 O ASP A 107 51.791 91.285 94.257 1.00 0.00 O ATOM 1558 CB ASP A 107 51.255 89.308 91.944 1.00 0.00 C ATOM 1559 CG ASP A 107 50.408 88.100 91.533 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.431 87.827 92.210 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.752 87.469 90.547 1.00 0.00 O ATOM 0 H ASP A 107 49.873 90.655 90.502 1.00 0.00 H new ATOM 0 HA ASP A 107 49.723 89.977 93.359 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.772 89.714 91.075 1.00 0.00 H new ATOM 0 HB3 ASP A 107 52.021 89.002 92.657 1.00 0.00 H new ATOM 1566 N GLY A 108 51.287 92.640 92.593 1.00 30.43 N ATOM 1567 CA GLY A 108 52.103 93.744 93.178 1.00 29.11 C ATOM 1568 C GLY A 108 53.426 93.897 92.413 1.00 29.35 C ATOM 1569 O GLY A 108 54.172 94.829 92.649 1.00 30.17 O ATOM 0 H GLY A 108 50.822 92.864 91.713 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.543 94.678 93.139 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.305 93.537 94.229 1.00 29.11 H new ATOM 1573 N THR A 109 53.729 92.997 91.500 1.00 0.00 N ATOM 1574 CA THR A 109 55.014 93.109 90.733 1.00 0.00 C ATOM 1575 C THR A 109 55.078 94.461 90.012 1.00 0.00 C ATOM 1576 O THR A 109 54.107 94.900 89.424 1.00 0.00 O ATOM 1577 CB THR A 109 54.977 91.964 89.717 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.806 90.732 90.402 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.289 91.936 88.931 1.00 0.00 C ATOM 0 H THR A 109 53.146 92.197 91.256 1.00 0.00 H new ATOM 0 HA THR A 109 55.888 93.047 91.382 1.00 0.00 H new ATOM 0 HB THR A 109 54.146 92.115 89.027 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.730 90.004 89.751 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.263 91.121 88.208 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.419 92.883 88.406 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.122 91.785 89.618 1.00 0.00 H new ATOM 1587 N GLU A 110 56.206 95.126 90.056 1.00 0.00 N ATOM 1588 CA GLU A 110 56.315 96.452 89.376 1.00 0.00 C ATOM 1589 C GLU A 110 57.058 96.324 88.040 1.00 0.00 C ATOM 1590 O GLU A 110 58.021 95.591 87.917 1.00 0.00 O ATOM 1591 CB GLU A 110 57.080 97.357 90.351 1.00 0.00 C ATOM 1592 CG GLU A 110 58.476 96.787 90.628 1.00 0.00 C ATOM 1593 CD GLU A 110 59.315 97.832 91.365 1.00 0.00 C ATOM 1594 OE1 GLU A 110 59.838 98.715 90.706 1.00 0.00 O ATOM 1595 OE2 GLU A 110 59.421 97.733 92.576 1.00 0.00 O ATOM 0 H GLU A 110 57.051 94.810 90.531 1.00 0.00 H new ATOM 0 HA GLU A 110 55.334 96.863 89.139 1.00 0.00 H new ATOM 0 HB2 GLU A 110 57.166 98.360 89.934 1.00 0.00 H new ATOM 0 HB3 GLU A 110 56.525 97.447 91.285 1.00 0.00 H new ATOM 0 HG2 GLU A 110 58.398 95.879 91.227 1.00 0.00 H new ATOM 0 HG3 GLU A 110 58.960 96.511 89.691 1.00 0.00 H new ATOM 1602 N PHE A 111 56.608 97.039 87.043 1.00 27.41 N ATOM 1603 CA PHE A 111 57.267 96.984 85.704 1.00 27.50 C ATOM 1604 C PHE A 111 56.754 98.128 84.817 1.00 28.03 C ATOM 1605 O PHE A 111 55.614 98.542 84.918 1.00 27.72 O ATOM 1606 CB PHE A 111 56.911 95.605 85.123 1.00 26.12 C ATOM 1607 CG PHE A 111 55.435 95.526 84.790 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.519 95.099 85.758 1.00 23.96 C ATOM 1609 CD2 PHE A 111 54.988 95.880 83.511 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.157 95.025 85.446 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.626 95.805 83.200 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.710 95.377 84.167 1.00 23.73 C ATOM 0 H PHE A 111 55.804 97.665 87.099 1.00 27.41 H new ATOM 0 HA PHE A 111 58.348 97.107 85.767 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.501 95.420 84.225 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.169 94.826 85.840 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.863 94.827 86.745 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.695 96.211 82.764 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.450 94.696 86.193 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.282 96.078 82.213 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.659 95.318 83.927 1.00 23.73 H new ATOM 1622 N ILE A 112 57.597 98.641 83.961 1.00 0.00 N ATOM 1623 CA ILE A 112 57.183 99.765 83.068 1.00 0.00 C ATOM 1624 C ILE A 112 56.894 99.258 81.652 1.00 0.00 C ATOM 1625 O ILE A 112 57.384 98.226 81.236 1.00 0.00 O ATOM 1626 CB ILE A 112 58.369 100.740 83.065 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.630 100.036 82.548 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.619 101.245 84.487 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.663 101.084 82.130 1.00 0.00 C ATOM 0 H ILE A 112 58.560 98.329 83.841 1.00 0.00 H new ATOM 0 HA ILE A 112 56.267 100.242 83.418 1.00 0.00 H new ATOM 0 HB ILE A 112 58.135 101.580 82.411 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.043 99.391 83.323 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.381 99.397 81.701 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.461 101.937 84.485 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.729 101.757 84.853 1.00 0.00 H new ATOM 0 HG23 ILE A 112 58.845 100.401 85.138 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.560 100.585 81.762 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.247 101.710 81.341 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.919 101.705 82.989 1.00 0.00 H new ATOM 1641 N ALA A 113 56.114 99.997 80.906 1.00 0.00 N ATOM 1642 CA ALA A 113 55.792 99.597 79.506 1.00 0.00 C ATOM 1643 C ALA A 113 56.282 100.698 78.554 1.00 0.00 C ATOM 1644 O ALA A 113 55.621 101.704 78.383 1.00 0.00 O ATOM 1645 CB ALA A 113 54.269 99.472 79.459 1.00 0.00 C ATOM 0 H ALA A 113 55.683 100.869 81.212 1.00 0.00 H new ATOM 0 HA ALA A 113 56.269 98.663 79.208 1.00 0.00 H new ATOM 0 HB1 ALA A 113 53.959 99.180 78.456 1.00 0.00 H new ATOM 0 HB2 ALA A 113 53.944 98.716 80.174 1.00 0.00 H new ATOM 0 HB3 ALA A 113 53.817 100.431 79.713 1.00 0.00 H new ATOM 1651 N PRO A 114 57.445 100.478 77.982 1.00 31.26 N ATOM 1652 CA PRO A 114 58.005 101.513 77.066 1.00 32.26 C ATOM 1653 C PRO A 114 57.076 101.803 75.881 1.00 31.77 C ATOM 1654 O PRO A 114 56.456 100.926 75.313 1.00 33.24 O ATOM 1655 CB PRO A 114 59.320 100.912 76.579 1.00 32.64 C ATOM 1656 CG PRO A 114 59.140 99.441 76.719 1.00 33.31 C ATOM 1657 CD PRO A 114 58.234 99.233 77.900 1.00 32.61 C ATOM 0 HA PRO A 114 58.132 102.469 77.574 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.523 101.189 75.544 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.161 101.266 77.175 1.00 32.64 H new ATOM 0 HG2 PRO A 114 58.703 99.016 75.815 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.099 98.946 76.873 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.591 98.364 77.759 1.00 32.61 H new ATOM 0 HD3 PRO A 114 58.804 99.063 78.813 1.00 32.61 H new ATOM 1665 N ILE A 115 57.018 103.053 75.509 1.00 30.59 N ATOM 1666 CA ILE A 115 56.177 103.487 74.355 1.00 30.04 C ATOM 1667 C ILE A 115 57.097 103.819 73.182 1.00 30.45 C ATOM 1668 O ILE A 115 57.987 104.647 73.293 1.00 30.15 O ATOM 1669 CB ILE A 115 55.433 104.745 74.822 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.643 104.442 76.100 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.463 105.194 73.728 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.109 105.747 76.692 1.00 28.50 C ATOM 0 H ILE A 115 57.529 103.808 75.966 1.00 30.59 H new ATOM 0 HA ILE A 115 55.475 102.717 74.036 1.00 30.04 H new ATOM 0 HB ILE A 115 56.157 105.534 75.024 1.00 29.44 H new ATOM 0 HG12 ILE A 115 53.817 103.766 75.878 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.282 103.937 76.824 1.00 29.23 H new ATOM 0 HG21 ILE A 115 53.933 106.088 74.056 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.019 105.416 72.817 1.00 25.80 H new ATOM 0 HG23 ILE A 115 53.745 104.398 73.529 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.547 105.531 77.601 1.00 28.50 H new ATOM 0 HD12 ILE A 115 54.943 106.407 76.929 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.455 106.234 75.968 1.00 28.50 H new ATOM 1684 N ALA A 116 56.888 103.173 72.060 1.00 30.78 N ATOM 1685 CA ALA A 116 57.749 103.418 70.856 1.00 29.78 C ATOM 1686 C ALA A 116 57.870 104.913 70.552 1.00 29.57 C ATOM 1687 O ALA A 116 56.935 105.670 70.728 1.00 28.51 O ATOM 1688 CB ALA A 116 57.035 102.704 69.705 1.00 27.76 C ATOM 0 H ALA A 116 56.152 102.480 71.924 1.00 30.78 H new ATOM 0 HA ALA A 116 58.764 103.051 71.012 1.00 29.78 H new ATOM 0 HB1 ALA A 116 57.605 102.837 68.785 1.00 27.76 H new ATOM 0 HB2 ALA A 116 56.954 101.641 69.931 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.038 103.125 69.578 1.00 27.76 H new ATOM 1694 N ALA A 117 59.020 105.337 70.096 1.00 0.00 N ATOM 1695 CA ALA A 117 59.220 106.777 69.776 1.00 0.00 C ATOM 1696 C ALA A 117 58.810 107.056 68.328 1.00 0.00 C ATOM 1697 O ALA A 117 59.351 106.487 67.399 1.00 0.00 O ATOM 1698 CB ALA A 117 60.718 107.018 69.960 1.00 0.00 C ATOM 0 H ALA A 117 59.832 104.742 69.931 1.00 0.00 H new ATOM 0 HA ALA A 117 58.620 107.429 70.411 1.00 0.00 H new ATOM 0 HB1 ALA A 117 60.948 108.061 69.742 1.00 0.00 H new ATOM 0 HB2 ALA A 117 60.999 106.792 70.988 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.276 106.374 69.281 1.00 0.00 H new ATOM 1704 N PHE A 118 57.869 107.940 68.136 1.00 29.64 N ATOM 1705 CA PHE A 118 57.421 108.284 66.751 1.00 29.08 C ATOM 1706 C PHE A 118 57.934 109.679 66.393 1.00 30.66 C ATOM 1707 O PHE A 118 58.359 110.425 67.255 1.00 30.55 O ATOM 1708 CB PHE A 118 55.885 108.240 66.772 1.00 25.73 C ATOM 1709 CG PHE A 118 55.340 109.133 67.866 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.178 110.502 67.638 1.00 22.18 C ATOM 1711 CD2 PHE A 118 54.995 108.584 69.108 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.671 111.326 68.651 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.489 109.407 70.121 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.326 110.778 69.892 1.00 21.66 C ATOM 0 H PHE A 118 57.387 108.443 68.881 1.00 29.64 H new ATOM 0 HA PHE A 118 57.807 107.591 66.003 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.494 108.559 65.806 1.00 25.73 H new ATOM 0 HB3 PHE A 118 55.548 107.216 66.930 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.444 110.925 66.680 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.119 107.526 69.284 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.546 112.384 68.475 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.224 108.984 71.079 1.00 21.66 H new ATOM 0 HZ PHE A 118 53.934 111.413 70.673 1.00 21.66 H new ATOM 1724 N VAL A 119 57.904 110.039 65.133 1.00 0.00 N ATOM 1725 CA VAL A 119 58.400 111.388 64.728 1.00 0.00 C ATOM 1726 C VAL A 119 57.259 112.215 64.129 1.00 0.00 C ATOM 1727 O VAL A 119 56.291 111.681 63.622 1.00 0.00 O ATOM 1728 CB VAL A 119 59.483 111.118 63.677 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.078 112.443 63.194 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.595 110.263 64.293 1.00 0.00 C ATOM 0 H VAL A 119 57.558 109.457 64.370 1.00 0.00 H new ATOM 0 HA VAL A 119 58.789 111.954 65.574 1.00 0.00 H new ATOM 0 HB VAL A 119 59.037 110.590 62.834 1.00 0.00 H new ATOM 0 HG11 VAL A 119 60.847 112.246 62.447 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.292 113.055 62.752 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.519 112.973 64.038 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.364 110.072 63.545 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.035 110.792 65.138 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.178 109.316 64.635 1.00 0.00 H new ATOM 1740 N LEU A 120 57.378 113.516 64.180 1.00 36.62 N ATOM 1741 CA LEU A 120 56.316 114.396 63.610 1.00 37.66 C ATOM 1742 C LEU A 120 56.874 115.162 62.410 1.00 38.64 C ATOM 1743 O LEU A 120 57.950 115.725 62.469 1.00 37.83 O ATOM 1744 CB LEU A 120 55.925 115.371 64.729 1.00 38.14 C ATOM 1745 CG LEU A 120 55.143 114.638 65.829 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.085 113.752 66.646 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.480 115.664 66.751 1.00 37.30 C ATOM 0 H LEU A 120 58.169 114.009 64.594 1.00 36.62 H new ATOM 0 HA LEU A 120 55.454 113.823 63.268 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.820 115.826 65.152 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.319 116.179 64.320 1.00 38.14 H new ATOM 0 HG LEU A 120 54.381 114.012 65.366 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.519 113.238 67.423 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.553 113.017 65.991 1.00 39.15 H new ATOM 0 HD13 LEU A 120 56.856 114.369 67.108 1.00 39.15 H new ATOM 0 HD21 LEU A 120 53.924 115.146 67.532 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.246 116.292 67.206 1.00 37.30 H new ATOM 0 HD23 LEU A 120 53.797 116.286 66.172 1.00 37.30 H new ATOM 1759 N SER A 121 56.149 115.178 61.320 1.00 0.00 N ATOM 1760 CA SER A 121 56.628 115.901 60.104 1.00 0.00 C ATOM 1761 C SER A 121 55.436 116.370 59.266 1.00 0.00 C ATOM 1762 O SER A 121 55.428 117.466 58.740 1.00 0.00 O ATOM 1763 CB SER A 121 57.454 114.873 59.333 1.00 0.00 C ATOM 1764 OG SER A 121 58.414 115.548 58.530 1.00 0.00 O ATOM 0 H SER A 121 55.243 114.720 61.220 1.00 0.00 H new ATOM 0 HA SER A 121 57.211 116.788 60.352 1.00 0.00 H new ATOM 0 HB2 SER A 121 57.954 114.197 60.027 1.00 0.00 H new ATOM 0 HB3 SER A 121 56.803 114.263 58.707 1.00 0.00 H new ATOM 0 HG SER A 121 58.947 114.891 58.035 1.00 0.00 H new