USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot -65:sc= 1.09 USER MOD Set 1.2: A 86 SER OG : rot -103:sc= 2.19 USER MOD Set 2.1: A 84 TYR OH : rot 180:sc= 0.0934 USER MOD Set 2.2: A 101 TYR OH : rot -45:sc= -0.16 USER MOD Set 3.1: A 51 HIS : no HE2:sc= -0.388 X(o=-4,f=-3.9) USER MOD Set 3.2: A 53 GLN : amide:sc= -2.53 X(o=-4,f=-3.9!) USER MOD Set 3.3: A 63 GLN : amide:sc= -1.06 X(o=-4,f=-4.5) USER MOD Set 4.1: A 7 TYR OH : rot -36:sc= 0.0629 USER MOD Set 4.2: A 109 THR OG1 : rot 149:sc= 0.859 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=-0.26) USER MOD Single : A 21 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.25) USER MOD Single : A 22 SER OG : rot -120:sc= 1.19 USER MOD Single : A 23 THR OG1 : rot -156:sc= 0.263 USER MOD Single : A 29 TYR OH : rot -94:sc= 0.488 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.000271 K(o=-0.00027,f=-1.6!) USER MOD Single : A 39 ASN : amide:sc= 0.022 K(o=0.022,f=-9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.35! USER MOD Single : A 58 ASN : amide:sc=-0.00315 X(o=-0.0031,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=-0.27) USER MOD Single : A 83 HIS : no HD1:sc= -0.301 K(o=-0.3,f=-1.3) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 100:sc= 0.0815 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 96 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.21) USER MOD Single : A 97 MET CE :methyl -146:sc= -2.14! (180deg=-3.45!) USER MOD Single : A 98 GLN : amide:sc=-0.00814 X(o=-0.0081,f=-0.21) USER MOD Single : A 100 HIS : no HD1:sc= -4.52 X(o=-4.5,f=-4.9!) USER MOD Single : A 103 MET CE :methyl -127:sc= -0.774 (180deg=-4.81!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.525 86.798 82.585 1.00 0.00 N ATOM 2 CA ARG A 6 54.060 87.044 82.437 1.00 0.00 C ATOM 3 C ARG A 6 53.760 88.549 82.412 1.00 0.00 C ATOM 4 O ARG A 6 52.636 88.965 82.636 1.00 0.00 O ATOM 5 CB ARG A 6 53.428 86.396 83.669 1.00 0.00 C ATOM 6 CG ARG A 6 53.537 84.873 83.559 1.00 0.00 C ATOM 7 CD ARG A 6 52.903 84.225 84.791 1.00 0.00 C ATOM 8 NE ARG A 6 53.204 82.772 84.660 1.00 0.00 N ATOM 9 CZ ARG A 6 53.307 82.028 85.727 1.00 0.00 C ATOM 10 NH1 ARG A 6 52.234 81.618 86.344 1.00 0.00 N ATOM 11 NH2 ARG A 6 54.486 81.694 86.177 1.00 0.00 N ATOM 0 HA ARG A 6 53.670 86.633 81.506 1.00 0.00 H new ATOM 0 HB2 ARG A 6 53.929 86.743 84.573 1.00 0.00 H new ATOM 0 HB3 ARG A 6 52.382 86.691 83.752 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.037 84.526 82.655 1.00 0.00 H new ATOM 0 HG3 ARG A 6 54.583 84.578 83.478 1.00 0.00 H new ATOM 0 HD2 ARG A 6 53.321 84.633 85.711 1.00 0.00 H new ATOM 0 HD3 ARG A 6 51.828 84.404 84.822 1.00 0.00 H new ATOM 0 HE ARG A 6 53.330 82.359 83.736 1.00 0.00 H new ATOM 0 HH11 ARG A 6 51.313 81.879 85.993 1.00 0.00 H new ATOM 0 HH12 ARG A 6 52.316 81.036 87.178 1.00 0.00 H new ATOM 0 HH21 ARG A 6 55.326 82.015 85.695 1.00 0.00 H new ATOM 0 HH22 ARG A 6 54.568 81.112 87.011 1.00 0.00 H new ATOM 25 N TYR A 7 54.753 89.367 82.146 1.00 31.93 N ATOM 26 CA TYR A 7 54.524 90.844 82.109 1.00 29.59 C ATOM 27 C TYR A 7 54.904 91.403 80.734 1.00 29.68 C ATOM 28 O TYR A 7 56.068 91.589 80.430 1.00 30.50 O ATOM 29 CB TYR A 7 55.440 91.419 83.194 1.00 27.35 C ATOM 30 CG TYR A 7 55.056 90.847 84.540 1.00 25.69 C ATOM 31 CD1 TYR A 7 53.736 90.949 84.995 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.023 90.215 85.332 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.381 90.418 86.241 1.00 22.01 C ATOM 34 CE2 TYR A 7 55.668 89.684 86.578 1.00 22.47 C ATOM 35 CZ TYR A 7 54.349 89.786 87.033 1.00 22.87 C ATOM 36 OH TYR A 7 54.000 89.262 88.261 1.00 25.71 O ATOM 0 H TYR A 7 55.711 89.073 81.953 1.00 31.93 H new ATOM 0 HA TYR A 7 53.479 91.103 82.281 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.480 91.181 82.970 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.359 92.506 83.213 1.00 27.35 H new ATOM 0 HD1 TYR A 7 52.991 91.438 84.385 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.042 90.137 84.982 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.362 90.495 86.591 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.413 89.195 87.188 1.00 22.47 H new ATOM 0 HH TYR A 7 53.328 89.837 88.683 1.00 25.71 H new ATOM 46 N ARG A 8 53.929 91.669 79.904 1.00 0.00 N ATOM 47 CA ARG A 8 54.217 92.212 78.543 1.00 0.00 C ATOM 48 C ARG A 8 53.073 93.124 78.088 1.00 0.00 C ATOM 49 O ARG A 8 51.914 92.773 78.176 1.00 0.00 O ATOM 50 CB ARG A 8 54.320 90.983 77.639 1.00 0.00 C ATOM 51 CG ARG A 8 54.926 91.386 76.293 1.00 0.00 C ATOM 52 CD ARG A 8 56.406 91.739 76.478 1.00 0.00 C ATOM 53 NE ARG A 8 56.463 93.226 76.407 1.00 0.00 N ATOM 54 CZ ARG A 8 56.803 93.813 75.292 1.00 0.00 C ATOM 55 NH1 ARG A 8 58.065 93.979 75.002 1.00 0.00 N ATOM 56 NH2 ARG A 8 55.883 94.236 74.469 1.00 0.00 N ATOM 0 H ARG A 8 52.940 91.533 80.112 1.00 0.00 H new ATOM 0 HA ARG A 8 55.128 92.810 78.519 1.00 0.00 H new ATOM 0 HB2 ARG A 8 54.938 90.220 78.114 1.00 0.00 H new ATOM 0 HB3 ARG A 8 53.333 90.546 77.489 1.00 0.00 H new ATOM 0 HG2 ARG A 8 54.823 90.570 75.578 1.00 0.00 H new ATOM 0 HG3 ARG A 8 54.387 92.240 75.882 1.00 0.00 H new ATOM 0 HD2 ARG A 8 56.781 91.375 77.435 1.00 0.00 H new ATOM 0 HD3 ARG A 8 57.020 91.284 75.701 1.00 0.00 H new ATOM 0 HE ARG A 8 56.236 93.785 77.229 1.00 0.00 H new ATOM 0 HH11 ARG A 8 58.784 93.650 75.646 1.00 0.00 H new ATOM 0 HH12 ARG A 8 58.332 94.438 74.131 1.00 0.00 H new ATOM 0 HH21 ARG A 8 54.897 94.108 74.697 1.00 0.00 H new ATOM 0 HH22 ARG A 8 56.150 94.695 73.598 1.00 0.00 H new ATOM 70 N VAL A 9 53.401 94.295 77.604 1.00 0.00 N ATOM 71 CA VAL A 9 52.354 95.254 77.136 1.00 0.00 C ATOM 72 C VAL A 9 52.932 96.162 76.043 1.00 0.00 C ATOM 73 O VAL A 9 53.839 96.938 76.273 1.00 0.00 O ATOM 74 CB VAL A 9 51.965 96.074 78.375 1.00 0.00 C ATOM 75 CG1 VAL A 9 50.932 97.140 77.993 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.352 95.150 79.430 1.00 0.00 C ATOM 0 H VAL A 9 54.360 94.631 77.512 1.00 0.00 H new ATOM 0 HA VAL A 9 51.490 94.746 76.709 1.00 0.00 H new ATOM 0 HB VAL A 9 52.858 96.555 78.774 1.00 0.00 H new ATOM 0 HG11 VAL A 9 50.661 97.717 78.877 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.357 97.805 77.241 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.043 96.656 77.589 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.076 95.733 80.309 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.464 94.669 79.021 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.079 94.389 79.713 1.00 0.00 H new ATOM 86 N GLU A 10 52.384 96.075 74.862 1.00 0.00 N ATOM 87 CA GLU A 10 52.838 96.923 73.723 1.00 0.00 C ATOM 88 C GLU A 10 51.814 98.029 73.459 1.00 0.00 C ATOM 89 O GLU A 10 50.629 97.783 73.337 1.00 0.00 O ATOM 90 CB GLU A 10 52.910 95.968 72.530 1.00 0.00 C ATOM 91 CG GLU A 10 53.417 96.722 71.296 1.00 0.00 C ATOM 92 CD GLU A 10 53.493 95.774 70.091 1.00 0.00 C ATOM 93 OE1 GLU A 10 53.529 94.571 70.301 1.00 0.00 O ATOM 94 OE2 GLU A 10 53.513 96.271 68.977 1.00 0.00 O ATOM 0 H GLU A 10 51.622 95.436 74.634 1.00 0.00 H new ATOM 0 HA GLU A 10 53.794 97.408 73.917 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.575 95.135 72.758 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.926 95.545 72.331 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.752 97.556 71.071 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.401 97.145 71.498 1.00 0.00 H new ATOM 101 N VAL A 11 52.278 99.249 73.373 1.00 26.88 N ATOM 102 CA VAL A 11 51.361 100.399 73.119 1.00 26.83 C ATOM 103 C VAL A 11 51.730 101.073 71.792 1.00 27.58 C ATOM 104 O VAL A 11 52.894 101.241 71.480 1.00 28.21 O ATOM 105 CB VAL A 11 51.581 101.357 74.295 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.680 102.585 74.136 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.236 100.645 75.606 1.00 25.75 C ATOM 0 H VAL A 11 53.262 99.499 73.469 1.00 26.88 H new ATOM 0 HA VAL A 11 50.318 100.092 73.044 1.00 26.83 H new ATOM 0 HB VAL A 11 52.625 101.671 74.311 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.839 103.264 74.974 1.00 26.50 H new ATOM 0 HG12 VAL A 11 50.922 103.096 73.204 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.636 102.271 74.117 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.393 101.326 76.442 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.193 100.330 75.585 1.00 25.75 H new ATOM 0 HG23 VAL A 11 51.877 99.771 75.725 1.00 25.75 H new ATOM 117 N GLU A 12 50.752 101.456 71.012 1.00 0.00 N ATOM 118 CA GLU A 12 51.039 102.119 69.705 1.00 0.00 C ATOM 119 C GLU A 12 50.388 103.504 69.663 1.00 0.00 C ATOM 120 O GLU A 12 49.256 103.681 70.074 1.00 0.00 O ATOM 121 CB GLU A 12 50.410 101.202 68.655 1.00 0.00 C ATOM 122 CG GLU A 12 51.211 99.899 68.568 1.00 0.00 C ATOM 123 CD GLU A 12 50.591 98.968 67.517 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.427 99.151 67.192 1.00 0.00 O ATOM 125 OE2 GLU A 12 51.292 98.083 67.055 1.00 0.00 O ATOM 0 H GLU A 12 49.762 101.337 71.226 1.00 0.00 H new ATOM 0 HA GLU A 12 52.106 102.263 69.538 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.374 100.988 68.918 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.396 101.698 67.685 1.00 0.00 H new ATOM 0 HG2 GLU A 12 52.247 100.116 68.307 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.224 99.406 69.540 1.00 0.00 H new ATOM 132 N VAL A 13 51.099 104.485 69.170 1.00 26.55 N ATOM 133 CA VAL A 13 50.537 105.869 69.097 1.00 26.45 C ATOM 134 C VAL A 13 50.712 106.436 67.683 1.00 27.95 C ATOM 135 O VAL A 13 51.752 106.290 67.070 1.00 27.94 O ATOM 136 CB VAL A 13 51.340 106.688 70.114 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.821 108.128 70.141 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.189 106.069 71.507 1.00 26.97 C ATOM 0 H VAL A 13 52.049 104.387 68.813 1.00 26.55 H new ATOM 0 HA VAL A 13 49.470 105.892 69.318 1.00 26.45 H new ATOM 0 HB VAL A 13 52.391 106.686 69.826 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.394 108.708 70.865 1.00 24.91 H new ATOM 0 HG12 VAL A 13 50.930 108.573 69.152 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.769 108.130 70.425 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.761 106.653 72.228 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.137 106.068 71.793 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.562 105.045 71.492 1.00 26.97 H new ATOM 148 N SER A 14 49.690 107.077 67.166 1.00 0.00 N ATOM 149 CA SER A 14 49.779 107.654 65.791 1.00 0.00 C ATOM 150 C SER A 14 49.433 109.154 65.808 1.00 0.00 C ATOM 151 O SER A 14 48.276 109.518 65.901 1.00 0.00 O ATOM 152 CB SER A 14 48.753 106.876 64.969 1.00 0.00 C ATOM 153 OG SER A 14 49.090 105.496 64.983 1.00 0.00 O ATOM 0 H SER A 14 48.798 107.224 67.639 1.00 0.00 H new ATOM 0 HA SER A 14 50.784 107.571 65.377 1.00 0.00 H new ATOM 0 HB2 SER A 14 47.754 107.022 65.380 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.734 107.247 63.944 1.00 0.00 H new ATOM 0 HG SER A 14 48.433 104.993 64.458 1.00 0.00 H new ATOM 159 N PRO A 15 50.454 109.976 65.710 1.00 28.75 N ATOM 160 CA PRO A 15 50.206 111.448 65.708 1.00 30.20 C ATOM 161 C PRO A 15 49.819 111.934 64.306 1.00 33.00 C ATOM 162 O PRO A 15 49.990 111.243 63.321 1.00 32.76 O ATOM 163 CB PRO A 15 51.536 112.054 66.140 1.00 29.34 C ATOM 164 CG PRO A 15 52.560 111.039 65.765 1.00 29.59 C ATOM 165 CD PRO A 15 51.896 109.691 65.851 1.00 28.91 C ATOM 0 HA PRO A 15 49.384 111.732 66.366 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.719 113.004 65.638 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.550 112.252 67.212 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.933 111.222 64.757 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.417 111.090 66.436 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.247 109.025 65.063 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.112 109.202 66.801 1.00 28.91 H new ATOM 173 N ARG A 16 49.287 113.129 64.226 1.00 34.77 N ATOM 174 CA ARG A 16 48.864 113.700 62.910 1.00 37.64 C ATOM 175 C ARG A 16 48.804 115.232 62.994 1.00 38.99 C ATOM 176 O ARG A 16 48.275 115.800 63.931 1.00 38.96 O ATOM 177 CB ARG A 16 47.476 113.112 62.627 1.00 40.22 C ATOM 178 CG ARG A 16 46.515 113.443 63.772 1.00 43.41 C ATOM 179 CD ARG A 16 45.127 112.889 63.447 1.00 47.90 C ATOM 180 NE ARG A 16 44.489 112.650 64.771 1.00 51.85 N ATOM 181 CZ ARG A 16 44.050 111.459 65.077 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.907 111.043 64.603 1.00 53.27 N ATOM 183 NH2 ARG A 16 44.754 110.683 65.855 1.00 54.10 N ATOM 0 H ARG A 16 49.126 113.740 65.027 1.00 34.77 H new ATOM 0 HA ARG A 16 49.566 113.453 62.114 1.00 37.64 H new ATOM 0 HB2 ARG A 16 47.088 113.512 61.690 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.549 112.031 62.506 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.881 113.013 64.704 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.463 114.522 63.917 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.549 113.596 62.852 1.00 47.90 H new ATOM 0 HD3 ARG A 16 45.195 111.967 62.869 1.00 47.90 H new ATOM 0 HE ARG A 16 44.395 113.416 65.438 1.00 51.85 H new ATOM 0 HH11 ARG A 16 42.357 111.648 63.994 1.00 53.27 H new ATOM 0 HH12 ARG A 16 42.564 110.113 64.842 1.00 53.27 H new ATOM 0 HH21 ARG A 16 45.648 111.007 66.225 1.00 54.10 H new ATOM 0 HH22 ARG A 16 44.410 109.753 66.094 1.00 54.10 H new ATOM 197 N PHE A 17 49.373 115.892 62.019 1.00 0.00 N ATOM 198 CA PHE A 17 49.396 117.391 62.011 1.00 0.00 C ATOM 199 C PHE A 17 47.977 117.979 62.010 1.00 0.00 C ATOM 200 O PHE A 17 47.091 117.488 61.338 1.00 0.00 O ATOM 201 CB PHE A 17 50.118 117.762 60.710 1.00 0.00 C ATOM 202 CG PHE A 17 50.295 119.260 60.634 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.278 119.888 61.409 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.480 120.021 59.788 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.445 121.276 61.337 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.646 121.408 59.716 1.00 0.00 C ATOM 207 CZ PHE A 17 50.628 122.037 60.491 1.00 0.00 C ATOM 0 H PHE A 17 49.828 115.454 61.218 1.00 0.00 H new ATOM 0 HA PHE A 17 49.889 117.786 62.899 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.089 117.269 60.669 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.545 117.410 59.852 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.907 119.302 62.062 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.722 119.537 59.190 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.204 121.760 61.934 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.017 121.994 59.063 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.755 123.108 60.437 1.00 0.00 H new ATOM 217 N LEU A 18 47.770 119.038 62.753 1.00 0.00 N ATOM 218 CA LEU A 18 46.421 119.687 62.798 1.00 0.00 C ATOM 219 C LEU A 18 46.502 121.117 62.253 1.00 0.00 C ATOM 220 O LEU A 18 46.598 122.080 62.985 1.00 0.00 O ATOM 221 CB LEU A 18 46.010 119.694 64.271 1.00 0.00 C ATOM 222 CG LEU A 18 45.710 118.267 64.731 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.433 118.266 66.237 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.482 117.738 63.987 1.00 0.00 C ATOM 0 H LEU A 18 48.480 119.484 63.334 1.00 0.00 H new ATOM 0 HA LEU A 18 45.695 119.152 62.186 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.807 120.122 64.879 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.131 120.323 64.410 1.00 0.00 H new ATOM 0 HG LEU A 18 46.567 117.628 64.517 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.219 117.249 66.567 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.307 118.643 66.768 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.576 118.905 66.450 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.268 116.721 64.315 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.624 118.376 64.201 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.677 117.740 62.915 1.00 0.00 H new ATOM 236 N ALA A 19 46.437 121.238 60.954 1.00 0.00 N ATOM 237 CA ALA A 19 46.480 122.579 60.287 1.00 0.00 C ATOM 238 C ALA A 19 45.206 123.384 60.571 1.00 0.00 C ATOM 239 O ALA A 19 45.249 124.594 60.685 1.00 0.00 O ATOM 240 CB ALA A 19 46.551 122.259 58.792 1.00 0.00 C ATOM 0 H ALA A 19 46.354 120.450 60.312 1.00 0.00 H new ATOM 0 HA ALA A 19 47.319 123.176 60.644 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.586 123.188 58.222 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.447 121.674 58.587 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.670 121.687 58.500 1.00 0.00 H new ATOM 246 N HIS A 20 44.077 122.730 60.663 1.00 0.00 N ATOM 247 CA HIS A 20 42.801 123.473 60.914 1.00 0.00 C ATOM 248 C HIS A 20 42.763 124.039 62.338 1.00 0.00 C ATOM 249 O HIS A 20 42.041 124.980 62.614 1.00 0.00 O ATOM 250 CB HIS A 20 41.684 122.450 60.706 1.00 0.00 C ATOM 251 CG HIS A 20 41.587 122.105 59.246 1.00 0.00 C ATOM 252 ND1 HIS A 20 42.335 121.089 58.675 1.00 0.00 N ATOM 253 CD2 HIS A 20 40.832 122.633 58.227 1.00 0.00 C ATOM 254 CE1 HIS A 20 42.018 121.037 57.368 1.00 0.00 C ATOM 255 NE2 HIS A 20 41.107 121.956 57.042 1.00 0.00 N ATOM 0 H HIS A 20 43.981 121.718 60.576 1.00 0.00 H new ATOM 0 HA HIS A 20 42.697 124.326 60.244 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.885 121.552 61.290 1.00 0.00 H new ATOM 0 HB3 HIS A 20 40.735 122.854 61.059 1.00 0.00 H new ATOM 0 HD2 HIS A 20 40.132 123.449 58.330 1.00 0.00 H new ATOM 0 HE1 HIS A 20 42.449 120.336 56.668 1.00 0.00 H new ATOM 0 HE2 HIS A 20 40.700 122.126 56.122 1.00 0.00 H new ATOM 263 N GLN A 21 43.521 123.475 63.246 1.00 51.13 N ATOM 264 CA GLN A 21 43.510 123.988 64.651 1.00 51.59 C ATOM 265 C GLN A 21 44.914 124.420 65.086 1.00 51.55 C ATOM 266 O GLN A 21 45.280 124.278 66.238 1.00 51.24 O ATOM 267 CB GLN A 21 43.023 122.812 65.498 1.00 52.27 C ATOM 268 CG GLN A 21 42.436 123.336 66.809 1.00 52.27 C ATOM 269 CD GLN A 21 41.128 124.076 66.522 1.00 52.27 C ATOM 270 OE1 GLN A 21 40.206 123.512 65.968 1.00 52.37 O ATOM 271 NE2 GLN A 21 41.008 125.326 66.878 1.00 51.79 N ATOM 0 H GLN A 21 44.144 122.685 63.076 1.00 51.13 H new ATOM 0 HA GLN A 21 42.871 124.865 64.758 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.270 122.244 64.952 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.849 122.131 65.704 1.00 52.27 H new ATOM 0 HG2 GLN A 21 42.255 122.509 67.495 1.00 52.27 H new ATOM 0 HG3 GLN A 21 43.146 124.005 67.296 1.00 52.27 H new ATOM 0 HE21 GLN A 21 41.782 125.800 67.343 1.00 51.79 H new ATOM 0 HE22 GLN A 21 40.140 125.829 66.691 1.00 51.79 H new ATOM 280 N SER A 22 45.702 124.948 64.181 1.00 52.26 N ATOM 281 CA SER A 22 47.080 125.390 64.557 1.00 52.76 C ATOM 282 C SER A 22 47.578 126.493 63.617 1.00 51.68 C ATOM 283 O SER A 22 47.244 126.523 62.447 1.00 52.15 O ATOM 284 CB SER A 22 47.950 124.138 64.423 1.00 53.63 C ATOM 285 OG SER A 22 48.257 123.918 63.051 1.00 55.19 O ATOM 0 H SER A 22 45.451 125.091 63.203 1.00 52.26 H new ATOM 0 HA SER A 22 47.110 125.806 65.564 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.869 124.257 64.998 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.428 123.274 64.833 1.00 53.63 H new ATOM 0 HG SER A 22 47.915 123.042 62.776 1.00 55.19 H new ATOM 291 N THR A 23 48.397 127.382 64.118 1.00 0.00 N ATOM 292 CA THR A 23 48.954 128.472 63.259 1.00 0.00 C ATOM 293 C THR A 23 50.490 128.392 63.285 1.00 0.00 C ATOM 294 O THR A 23 51.127 128.915 64.177 1.00 0.00 O ATOM 295 CB THR A 23 48.433 129.798 63.847 1.00 0.00 C ATOM 296 OG1 THR A 23 48.940 130.878 63.077 1.00 0.00 O ATOM 297 CG2 THR A 23 48.872 129.973 65.306 1.00 0.00 C ATOM 0 H THR A 23 48.706 127.400 65.090 1.00 0.00 H new ATOM 0 HA THR A 23 48.646 128.387 62.217 1.00 0.00 H new ATOM 0 HB THR A 23 47.344 129.782 63.816 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.953 131.691 63.623 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.488 130.918 65.691 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.480 129.151 65.905 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.961 129.974 65.361 1.00 0.00 H new ATOM 305 N PRO A 24 51.033 127.698 62.308 1.00 49.88 N ATOM 306 CA PRO A 24 52.516 127.532 62.272 1.00 51.02 C ATOM 307 C PRO A 24 53.238 128.859 62.010 1.00 51.50 C ATOM 308 O PRO A 24 54.402 129.007 62.337 1.00 51.57 O ATOM 309 CB PRO A 24 52.751 126.567 61.114 1.00 51.23 C ATOM 310 CG PRO A 24 51.570 126.739 60.225 1.00 51.05 C ATOM 311 CD PRO A 24 50.412 127.091 61.114 1.00 49.44 C ATOM 0 HA PRO A 24 52.904 127.170 63.224 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.678 126.799 60.589 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.833 125.539 61.467 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.748 127.525 59.491 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.367 125.824 59.669 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.732 127.787 60.623 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.830 126.208 61.375 1.00 49.44 H new ATOM 319 N ASP A 25 52.574 129.815 61.411 1.00 0.00 N ATOM 320 CA ASP A 25 53.248 131.119 61.117 1.00 0.00 C ATOM 321 C ASP A 25 53.601 131.861 62.413 1.00 0.00 C ATOM 322 O ASP A 25 54.479 132.705 62.425 1.00 0.00 O ATOM 323 CB ASP A 25 52.256 131.921 60.273 1.00 0.00 C ATOM 324 CG ASP A 25 52.133 131.287 58.884 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.122 130.754 58.408 1.00 0.00 O ATOM 326 OD2 ASP A 25 51.052 131.347 58.323 1.00 0.00 O ATOM 0 H ASP A 25 51.600 129.751 61.114 1.00 0.00 H new ATOM 0 HA ASP A 25 54.189 130.971 60.587 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.282 131.943 60.761 1.00 0.00 H new ATOM 0 HB3 ASP A 25 52.591 132.954 60.184 1.00 0.00 H new ATOM 331 N GLU A 26 52.931 131.562 63.500 1.00 0.00 N ATOM 332 CA GLU A 26 53.242 132.263 64.785 1.00 0.00 C ATOM 333 C GLU A 26 53.994 131.333 65.747 1.00 0.00 C ATOM 334 O GLU A 26 53.977 131.529 66.948 1.00 0.00 O ATOM 335 CB GLU A 26 51.881 132.648 65.366 1.00 0.00 C ATOM 336 CG GLU A 26 51.256 133.754 64.513 1.00 0.00 C ATOM 337 CD GLU A 26 49.895 134.139 65.094 1.00 0.00 C ATOM 338 OE1 GLU A 26 48.931 133.449 64.802 1.00 0.00 O ATOM 339 OE2 GLU A 26 49.838 135.118 65.819 1.00 0.00 O ATOM 0 H GLU A 26 52.186 130.867 63.553 1.00 0.00 H new ATOM 0 HA GLU A 26 53.883 133.131 64.629 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.225 131.778 65.390 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.996 132.989 66.395 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.912 134.624 64.489 1.00 0.00 H new ATOM 0 HG3 GLU A 26 51.141 133.413 63.484 1.00 0.00 H new ATOM 346 N GLY A 27 54.653 130.325 65.230 1.00 0.00 N ATOM 347 CA GLY A 27 55.409 129.380 66.108 1.00 0.00 C ATOM 348 C GLY A 27 54.432 128.555 66.949 1.00 0.00 C ATOM 349 O GLY A 27 54.746 128.133 68.046 1.00 0.00 O ATOM 0 H GLY A 27 54.700 130.116 64.233 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.026 128.719 65.499 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.084 129.936 66.759 1.00 0.00 H new ATOM 353 N ARG A 28 53.250 128.323 66.439 1.00 0.00 N ATOM 354 CA ARG A 28 52.240 127.525 67.196 1.00 0.00 C ATOM 355 C ARG A 28 51.821 126.297 66.384 1.00 0.00 C ATOM 356 O ARG A 28 50.925 126.366 65.562 1.00 0.00 O ATOM 357 CB ARG A 28 51.057 128.470 67.392 1.00 0.00 C ATOM 358 CG ARG A 28 51.440 129.570 68.385 1.00 0.00 C ATOM 359 CD ARG A 28 50.255 130.517 68.581 1.00 0.00 C ATOM 360 NE ARG A 28 50.805 131.664 69.357 1.00 0.00 N ATOM 361 CZ ARG A 28 50.819 131.622 70.661 1.00 0.00 C ATOM 362 NH1 ARG A 28 49.698 131.656 71.327 1.00 0.00 N ATOM 363 NH2 ARG A 28 51.955 131.545 71.299 1.00 0.00 N ATOM 0 H ARG A 28 52.940 128.654 65.526 1.00 0.00 H new ATOM 0 HA ARG A 28 52.629 127.158 68.146 1.00 0.00 H new ATOM 0 HB2 ARG A 28 50.769 128.911 66.438 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.193 127.917 67.761 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.728 129.129 69.339 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.304 130.123 68.016 1.00 0.00 H new ATOM 0 HD2 ARG A 28 49.849 130.846 67.624 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.444 130.028 69.120 1.00 0.00 H new ATOM 0 HE ARG A 28 51.170 132.482 68.869 1.00 0.00 H new ATOM 0 HH11 ARG A 28 48.810 131.715 70.828 1.00 0.00 H new ATOM 0 HH12 ARG A 28 49.709 131.623 72.346 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.832 131.518 70.778 1.00 0.00 H new ATOM 0 HH22 ARG A 28 51.966 131.512 72.318 1.00 0.00 H new ATOM 377 N TYR A 29 52.455 125.172 66.614 1.00 46.07 N ATOM 378 CA TYR A 29 52.086 123.932 65.862 1.00 43.41 C ATOM 379 C TYR A 29 51.306 122.995 66.790 1.00 41.37 C ATOM 380 O TYR A 29 51.685 122.785 67.927 1.00 39.95 O ATOM 381 CB TYR A 29 53.415 123.291 65.442 1.00 43.56 C ATOM 382 CG TYR A 29 54.253 124.286 64.668 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.068 125.194 65.356 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.219 124.299 63.269 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.847 126.114 64.647 1.00 42.67 C ATOM 386 CE2 TYR A 29 54.999 125.222 62.561 1.00 42.98 C ATOM 387 CZ TYR A 29 55.813 126.128 63.249 1.00 43.35 C ATOM 388 OH TYR A 29 56.580 127.037 62.547 1.00 43.13 O ATOM 0 H TYR A 29 53.211 125.059 67.289 1.00 46.07 H new ATOM 0 HA TYR A 29 51.459 124.141 64.995 1.00 43.41 H new ATOM 0 HB2 TYR A 29 53.960 122.954 66.324 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.225 122.410 64.829 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.095 125.184 66.436 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.593 123.599 62.736 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.475 126.814 65.179 1.00 42.67 H new ATOM 0 HE2 TYR A 29 54.972 125.234 61.481 1.00 42.98 H new ATOM 0 HH TYR A 29 56.043 127.831 62.345 1.00 43.13 H new ATOM 398 N ALA A 30 50.211 122.448 66.322 1.00 0.00 N ATOM 399 CA ALA A 30 49.403 121.541 67.197 1.00 0.00 C ATOM 400 C ALA A 30 49.377 120.112 66.646 1.00 0.00 C ATOM 401 O ALA A 30 48.922 119.870 65.545 1.00 0.00 O ATOM 402 CB ALA A 30 47.998 122.142 67.200 1.00 0.00 C ATOM 0 H ALA A 30 49.844 122.588 65.381 1.00 0.00 H new ATOM 0 HA ALA A 30 49.825 121.471 68.200 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.343 121.532 67.822 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.037 123.156 67.599 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.611 122.167 66.181 1.00 0.00 H new ATOM 408 N PHE A 31 49.848 119.163 67.417 1.00 36.58 N ATOM 409 CA PHE A 31 49.836 117.740 66.958 1.00 36.29 C ATOM 410 C PHE A 31 48.935 116.909 67.879 1.00 35.25 C ATOM 411 O PHE A 31 49.063 116.966 69.087 1.00 34.09 O ATOM 412 CB PHE A 31 51.284 117.260 67.073 1.00 36.39 C ATOM 413 CG PHE A 31 52.149 117.974 66.064 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.712 119.216 66.381 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.393 117.392 64.815 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.518 119.876 65.448 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.198 118.054 63.879 1.00 37.25 C ATOM 418 CZ PHE A 31 53.762 119.295 64.197 1.00 36.45 C ATOM 0 H PHE A 31 50.241 119.313 68.346 1.00 36.58 H new ATOM 0 HA PHE A 31 49.456 117.641 65.941 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.658 117.446 68.080 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.333 116.184 66.908 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.524 119.664 67.345 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.961 116.432 64.573 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.953 120.834 65.692 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.383 117.607 62.913 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.386 119.805 63.477 1.00 36.45 H new ATOM 428 N ALA A 32 48.043 116.127 67.327 1.00 34.06 N ATOM 429 CA ALA A 32 47.150 115.276 68.173 1.00 32.35 C ATOM 430 C ALA A 32 47.467 113.804 67.909 1.00 31.25 C ATOM 431 O ALA A 32 47.567 113.390 66.768 1.00 31.96 O ATOM 432 CB ALA A 32 45.730 115.607 67.719 1.00 32.65 C ATOM 0 H ALA A 32 47.893 116.040 66.322 1.00 34.06 H new ATOM 0 HA ALA A 32 47.279 115.459 69.240 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.017 115.019 68.297 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.536 116.668 67.875 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.622 115.370 66.660 1.00 32.65 H new ATOM 438 N TYR A 33 47.641 113.010 68.937 1.00 29.03 N ATOM 439 CA TYR A 33 47.967 111.568 68.703 1.00 27.15 C ATOM 440 C TYR A 33 47.020 110.651 69.479 1.00 26.72 C ATOM 441 O TYR A 33 46.557 110.985 70.554 1.00 28.24 O ATOM 442 CB TYR A 33 49.415 111.391 69.176 1.00 26.09 C ATOM 443 CG TYR A 33 49.541 111.739 70.641 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.363 110.747 71.612 1.00 25.37 C ATOM 445 CD2 TYR A 33 49.851 113.048 71.024 1.00 24.81 C ATOM 446 CE1 TYR A 33 49.495 111.065 72.968 1.00 25.85 C ATOM 447 CE2 TYR A 33 49.979 113.365 72.381 1.00 25.46 C ATOM 448 CZ TYR A 33 49.802 112.375 73.353 1.00 27.60 C ATOM 449 OH TYR A 33 49.936 112.687 74.690 1.00 28.81 O ATOM 0 H TYR A 33 47.573 113.292 69.915 1.00 29.03 H new ATOM 0 HA TYR A 33 47.851 111.300 67.653 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.734 110.362 69.012 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.076 112.027 68.587 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.124 109.737 71.315 1.00 25.37 H new ATOM 0 HD2 TYR A 33 49.991 113.812 70.274 1.00 24.81 H new ATOM 0 HE1 TYR A 33 49.360 110.299 73.718 1.00 25.85 H new ATOM 0 HE2 TYR A 33 50.215 114.376 72.678 1.00 25.46 H new ATOM 0 HH TYR A 33 49.074 112.569 75.141 1.00 28.81 H new ATOM 459 N SER A 34 46.737 109.493 68.939 1.00 0.00 N ATOM 460 CA SER A 34 45.827 108.536 69.632 1.00 0.00 C ATOM 461 C SER A 34 46.658 107.448 70.315 1.00 0.00 C ATOM 462 O SER A 34 47.648 106.991 69.784 1.00 0.00 O ATOM 463 CB SER A 34 44.955 107.939 68.529 1.00 0.00 C ATOM 464 OG SER A 34 43.884 108.829 68.242 1.00 0.00 O ATOM 0 H SER A 34 47.100 109.169 68.043 1.00 0.00 H new ATOM 0 HA SER A 34 45.221 109.015 70.402 1.00 0.00 H new ATOM 0 HB2 SER A 34 45.550 107.767 67.632 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.564 106.971 68.843 1.00 0.00 H new ATOM 0 HG SER A 34 43.324 108.449 67.533 1.00 0.00 H new ATOM 470 N ILE A 35 46.270 107.052 71.498 1.00 0.00 N ATOM 471 CA ILE A 35 47.040 106.011 72.247 1.00 0.00 C ATOM 472 C ILE A 35 46.341 104.647 72.201 1.00 0.00 C ATOM 473 O ILE A 35 45.154 104.526 72.437 1.00 0.00 O ATOM 474 CB ILE A 35 47.070 106.546 73.688 1.00 0.00 C ATOM 475 CG1 ILE A 35 47.816 107.893 73.722 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.776 105.546 74.615 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.256 107.722 73.221 1.00 0.00 C ATOM 0 H ILE A 35 45.446 107.407 71.983 1.00 0.00 H new ATOM 0 HA ILE A 35 48.031 105.850 71.823 1.00 0.00 H new ATOM 0 HB ILE A 35 46.045 106.684 74.033 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.293 108.621 73.102 1.00 0.00 H new ATOM 0 HG13 ILE A 35 47.823 108.286 74.739 1.00 0.00 H new ATOM 0 HG21 ILE A 35 47.789 105.939 75.632 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.242 104.596 74.600 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.799 105.392 74.272 1.00 0.00 H new ATOM 0 HD11 ILE A 35 49.769 108.684 73.252 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.781 107.010 73.858 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.243 107.350 72.196 1.00 0.00 H new ATOM 489 N ARG A 36 47.096 103.622 71.896 1.00 25.30 N ATOM 490 CA ARG A 36 46.528 102.244 71.824 1.00 25.64 C ATOM 491 C ARG A 36 47.305 101.313 72.760 1.00 23.79 C ATOM 492 O ARG A 36 48.354 100.803 72.420 1.00 25.11 O ATOM 493 CB ARG A 36 46.706 101.814 70.366 1.00 28.66 C ATOM 494 CG ARG A 36 45.926 102.760 69.451 1.00 34.24 C ATOM 495 CD ARG A 36 44.425 102.514 69.615 1.00 37.45 C ATOM 496 NE ARG A 36 44.205 101.128 69.118 1.00 40.12 N ATOM 497 CZ ARG A 36 43.942 100.921 67.857 1.00 40.24 C ATOM 498 NH1 ARG A 36 42.768 101.230 67.377 1.00 39.81 N ATOM 499 NH2 ARG A 36 44.851 100.405 67.076 1.00 39.07 N ATOM 0 H ARG A 36 48.093 103.684 71.692 1.00 25.30 H new ATOM 0 HA ARG A 36 45.482 102.208 72.130 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.763 101.825 70.100 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.354 100.791 70.233 1.00 28.66 H new ATOM 0 HG2 ARG A 36 46.163 103.795 69.695 1.00 34.24 H new ATOM 0 HG3 ARG A 36 46.219 102.602 68.413 1.00 34.24 H new ATOM 0 HD2 ARG A 36 44.120 102.613 70.657 1.00 37.45 H new ATOM 0 HD3 ARG A 36 43.842 103.236 69.043 1.00 37.45 H new ATOM 0 HE ARG A 36 44.260 100.340 69.763 1.00 40.12 H new ATOM 0 HH11 ARG A 36 42.057 101.633 67.988 1.00 39.81 H new ATOM 0 HH12 ARG A 36 42.561 101.069 66.391 1.00 39.81 H new ATOM 0 HH21 ARG A 36 45.768 100.163 67.451 1.00 39.07 H new ATOM 0 HH22 ARG A 36 44.644 100.244 66.090 1.00 39.07 H new ATOM 513 N ILE A 37 46.789 101.099 73.939 1.00 20.73 N ATOM 514 CA ILE A 37 47.467 100.212 74.932 1.00 18.17 C ATOM 515 C ILE A 37 46.956 98.770 74.811 1.00 17.71 C ATOM 516 O ILE A 37 45.794 98.495 75.035 1.00 15.34 O ATOM 517 CB ILE A 37 47.091 100.792 76.303 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.565 102.245 76.397 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.765 99.975 77.409 1.00 14.36 C ATOM 520 CD1 ILE A 37 46.966 102.895 77.645 1.00 16.07 C ATOM 0 H ILE A 37 45.912 101.507 74.263 1.00 20.73 H new ATOM 0 HA ILE A 37 48.545 100.179 74.776 1.00 18.17 H new ATOM 0 HB ILE A 37 46.008 100.751 76.422 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.653 102.282 76.441 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.263 102.796 75.506 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.497 100.388 78.381 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.432 98.939 77.351 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.847 100.016 77.283 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.302 103.930 77.714 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.878 102.871 77.581 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.290 102.349 78.531 1.00 16.07 H new ATOM 532 N GLN A 38 47.827 97.848 74.486 1.00 0.00 N ATOM 533 CA GLN A 38 47.411 96.417 74.377 1.00 0.00 C ATOM 534 C GLN A 38 48.171 95.590 75.420 1.00 0.00 C ATOM 535 O GLN A 38 49.372 95.716 75.577 1.00 0.00 O ATOM 536 CB GLN A 38 47.777 95.990 72.955 1.00 0.00 C ATOM 537 CG GLN A 38 47.379 94.527 72.739 1.00 0.00 C ATOM 538 CD GLN A 38 47.643 94.125 71.283 1.00 0.00 C ATOM 539 OE1 GLN A 38 47.857 94.967 70.433 1.00 0.00 O ATOM 540 NE2 GLN A 38 47.638 92.861 70.960 1.00 0.00 N ATOM 0 H GLN A 38 48.812 98.026 74.291 1.00 0.00 H new ATOM 0 HA GLN A 38 46.347 96.271 74.562 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.268 96.626 72.231 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.847 96.114 72.791 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.946 93.883 73.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.325 94.388 72.978 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.459 92.153 71.672 1.00 0.00 H new ATOM 0 HE22 GLN A 38 47.814 92.580 69.995 1.00 0.00 H new ATOM 549 N ASN A 39 47.465 94.754 76.140 1.00 15.86 N ATOM 550 CA ASN A 39 48.124 93.919 77.190 1.00 17.88 C ATOM 551 C ASN A 39 48.509 92.547 76.626 1.00 18.37 C ATOM 552 O ASN A 39 47.658 91.774 76.228 1.00 18.69 O ATOM 553 CB ASN A 39 47.089 93.780 78.307 1.00 19.10 C ATOM 554 CG ASN A 39 47.727 93.090 79.514 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.687 92.358 79.374 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.232 93.294 80.704 1.00 19.13 N ATOM 0 H ASN A 39 46.459 94.614 76.045 1.00 15.86 H new ATOM 0 HA ASN A 39 49.046 94.374 77.552 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.714 94.763 78.593 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.234 93.202 77.955 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.651 92.839 81.515 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.426 93.908 80.823 1.00 19.13 H new ATOM 563 N ALA A 40 49.779 92.235 76.607 1.00 0.00 N ATOM 564 CA ALA A 40 50.222 90.904 76.089 1.00 0.00 C ATOM 565 C ALA A 40 50.874 90.078 77.211 1.00 0.00 C ATOM 566 O ALA A 40 51.520 89.080 76.953 1.00 0.00 O ATOM 567 CB ALA A 40 51.235 91.216 74.988 1.00 0.00 C ATOM 0 H ALA A 40 50.531 92.845 76.928 1.00 0.00 H new ATOM 0 HA ALA A 40 49.386 90.314 75.713 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.605 90.285 74.560 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.755 91.808 74.209 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.068 91.778 75.409 1.00 0.00 H new ATOM 573 N GLY A 41 50.706 90.480 78.451 1.00 27.60 N ATOM 574 CA GLY A 41 51.313 89.714 79.580 1.00 28.62 C ATOM 575 C GLY A 41 50.417 88.523 79.919 1.00 29.10 C ATOM 576 O GLY A 41 49.470 88.230 79.212 1.00 28.18 O ATOM 0 H GLY A 41 50.174 91.306 78.726 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.310 89.368 79.306 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.428 90.358 80.452 1.00 28.62 H new ATOM 580 N ALA A 42 50.709 87.831 80.992 1.00 0.00 N ATOM 581 CA ALA A 42 49.875 86.653 81.375 1.00 0.00 C ATOM 582 C ALA A 42 48.970 87.004 82.556 1.00 0.00 C ATOM 583 O ALA A 42 47.889 86.468 82.708 1.00 0.00 O ATOM 584 CB ALA A 42 50.881 85.573 81.774 1.00 0.00 C ATOM 0 H ALA A 42 51.489 88.032 81.618 1.00 0.00 H new ATOM 0 HA ALA A 42 49.223 86.327 80.564 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.347 84.670 82.070 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.530 85.349 80.927 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.484 85.928 82.609 1.00 0.00 H new ATOM 590 N VAL A 43 49.418 87.901 83.393 1.00 0.00 N ATOM 591 CA VAL A 43 48.605 88.305 84.583 1.00 0.00 C ATOM 592 C VAL A 43 48.062 89.730 84.390 1.00 0.00 C ATOM 593 O VAL A 43 48.746 90.584 83.861 1.00 0.00 O ATOM 594 CB VAL A 43 49.588 88.231 85.761 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.909 88.688 87.053 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.069 86.787 85.928 1.00 0.00 C ATOM 0 H VAL A 43 50.317 88.375 83.305 1.00 0.00 H new ATOM 0 HA VAL A 43 47.736 87.667 84.744 1.00 0.00 H new ATOM 0 HB VAL A 43 50.434 88.886 85.555 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.619 88.629 87.878 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.568 89.717 86.940 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.055 88.044 87.263 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.767 86.730 86.763 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.215 86.139 86.125 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.568 86.462 85.015 1.00 0.00 H new ATOM 606 N PRO A 44 46.832 89.939 84.824 1.00 21.08 N ATOM 607 CA PRO A 44 46.224 91.301 84.664 1.00 21.01 C ATOM 608 C PRO A 44 47.130 92.399 85.237 1.00 21.95 C ATOM 609 O PRO A 44 47.784 92.221 86.252 1.00 21.40 O ATOM 610 CB PRO A 44 44.908 91.214 85.437 1.00 20.53 C ATOM 611 CG PRO A 44 45.129 90.116 86.413 1.00 18.90 C ATOM 612 CD PRO A 44 45.975 89.108 85.692 1.00 19.89 C ATOM 0 HA PRO A 44 46.081 91.566 83.616 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.679 92.154 85.940 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.071 90.995 84.774 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.631 90.482 87.309 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.183 89.679 86.733 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.566 88.510 86.386 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.367 88.415 85.111 1.00 19.89 H new ATOM 620 N ALA A 45 47.174 93.528 84.576 1.00 20.91 N ATOM 621 CA ALA A 45 48.037 94.650 85.048 1.00 19.47 C ATOM 622 C ALA A 45 47.311 95.997 84.944 1.00 19.21 C ATOM 623 O ALA A 45 46.446 96.199 84.110 1.00 19.53 O ATOM 624 CB ALA A 45 49.237 94.631 84.102 1.00 18.37 C ATOM 0 H ALA A 45 46.646 93.720 83.725 1.00 20.91 H new ATOM 0 HA ALA A 45 48.315 94.531 86.095 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.929 95.428 84.376 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.744 93.669 84.176 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.896 94.783 83.078 1.00 18.37 H new ATOM 630 N ARG A 46 47.674 96.915 85.798 1.00 0.00 N ATOM 631 CA ARG A 46 47.040 98.267 85.792 1.00 0.00 C ATOM 632 C ARG A 46 48.128 99.339 85.687 1.00 0.00 C ATOM 633 O ARG A 46 49.256 99.129 86.091 1.00 0.00 O ATOM 634 CB ARG A 46 46.307 98.357 87.136 1.00 0.00 C ATOM 635 CG ARG A 46 45.673 99.744 87.303 1.00 0.00 C ATOM 636 CD ARG A 46 45.065 99.867 88.704 1.00 0.00 C ATOM 637 NE ARG A 46 46.211 99.695 89.640 1.00 0.00 N ATOM 638 CZ ARG A 46 46.009 99.203 90.832 1.00 0.00 C ATOM 639 NH1 ARG A 46 45.158 99.774 91.639 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.660 98.139 91.217 1.00 0.00 N ATOM 0 H ARG A 46 48.393 96.785 86.510 1.00 0.00 H new ATOM 0 HA ARG A 46 46.361 98.418 84.953 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.536 97.588 87.190 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.004 98.167 87.952 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.425 100.519 87.153 1.00 0.00 H new ATOM 0 HG3 ARG A 46 44.903 99.896 86.547 1.00 0.00 H new ATOM 0 HD2 ARG A 46 44.585 100.836 88.842 1.00 0.00 H new ATOM 0 HD3 ARG A 46 44.302 99.107 88.871 1.00 0.00 H new ATOM 0 HE ARG A 46 47.152 99.961 89.350 1.00 0.00 H new ATOM 0 HH11 ARG A 46 44.650 100.606 91.339 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.001 99.389 92.570 1.00 0.00 H new ATOM 0 HH21 ARG A 46 47.326 97.693 90.586 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.503 97.754 92.148 1.00 0.00 H new ATOM 654 N LEU A 47 47.795 100.485 85.148 1.00 0.00 N ATOM 655 CA LEU A 47 48.811 101.574 85.017 1.00 0.00 C ATOM 656 C LEU A 47 48.659 102.556 86.181 1.00 0.00 C ATOM 657 O LEU A 47 47.619 103.162 86.356 1.00 0.00 O ATOM 658 CB LEU A 47 48.496 102.259 83.687 1.00 0.00 C ATOM 659 CG LEU A 47 49.662 103.167 83.287 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.575 103.481 81.792 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.595 104.471 84.085 1.00 0.00 C ATOM 0 H LEU A 47 46.866 100.713 84.794 1.00 0.00 H new ATOM 0 HA LEU A 47 49.834 101.199 85.040 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.323 101.511 82.913 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.580 102.844 83.776 1.00 0.00 H new ATOM 0 HG LEU A 47 50.603 102.660 83.499 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.405 104.127 81.507 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.625 102.553 81.222 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.633 103.986 81.581 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.426 105.116 83.799 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.653 104.978 83.875 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.658 104.249 85.150 1.00 0.00 H new ATOM 673 N VAL A 48 49.683 102.707 86.983 1.00 0.00 N ATOM 674 CA VAL A 48 49.591 103.640 88.147 1.00 0.00 C ATOM 675 C VAL A 48 50.293 104.970 87.842 1.00 0.00 C ATOM 676 O VAL A 48 49.950 105.990 88.410 1.00 0.00 O ATOM 677 CB VAL A 48 50.274 102.911 89.309 1.00 0.00 C ATOM 678 CG1 VAL A 48 50.225 103.781 90.567 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.549 101.590 89.584 1.00 0.00 C ATOM 0 H VAL A 48 50.577 102.226 86.882 1.00 0.00 H new ATOM 0 HA VAL A 48 48.556 103.890 88.382 1.00 0.00 H new ATOM 0 HB VAL A 48 51.312 102.712 89.043 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.712 103.258 91.390 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.742 104.722 90.379 1.00 0.00 H new ATOM 0 HG13 VAL A 48 49.187 103.983 90.829 1.00 0.00 H new ATOM 0 HG21 VAL A 48 50.036 101.073 90.411 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.510 101.792 89.844 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.584 100.963 88.693 1.00 0.00 H new ATOM 689 N ALA A 49 51.279 104.973 86.973 1.00 0.00 N ATOM 690 CA ALA A 49 51.989 106.261 86.680 1.00 0.00 C ATOM 691 C ALA A 49 52.364 106.391 85.198 1.00 0.00 C ATOM 692 O ALA A 49 52.350 105.437 84.446 1.00 0.00 O ATOM 693 CB ALA A 49 53.246 106.221 87.548 1.00 0.00 C ATOM 0 H ALA A 49 51.617 104.157 86.463 1.00 0.00 H new ATOM 0 HA ALA A 49 51.353 107.119 86.897 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.825 107.131 87.392 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.961 106.147 88.598 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.850 105.356 87.274 1.00 0.00 H new ATOM 699 N ARG A 50 52.706 107.587 84.794 1.00 18.13 N ATOM 700 CA ARG A 50 53.100 107.847 83.377 1.00 20.89 C ATOM 701 C ARG A 50 54.266 108.846 83.325 1.00 22.46 C ATOM 702 O ARG A 50 54.308 109.810 84.067 1.00 23.35 O ATOM 703 CB ARG A 50 51.843 108.440 82.714 1.00 21.09 C ATOM 704 CG ARG A 50 51.502 109.808 83.322 1.00 22.20 C ATOM 705 CD ARG A 50 50.106 110.237 82.864 1.00 26.75 C ATOM 706 NE ARG A 50 50.217 111.702 82.620 1.00 26.68 N ATOM 707 CZ ARG A 50 49.582 112.543 83.390 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.306 112.384 83.616 1.00 27.75 N ATOM 709 NH2 ARG A 50 50.222 113.541 83.934 1.00 29.05 N ATOM 0 H ARG A 50 52.729 108.409 85.397 1.00 18.13 H new ATOM 0 HA ARG A 50 53.437 106.943 82.869 1.00 20.89 H new ATOM 0 HB2 ARG A 50 52.006 108.544 81.641 1.00 21.09 H new ATOM 0 HB3 ARG A 50 51.002 107.759 82.844 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.539 109.753 84.410 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.241 110.549 83.015 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.807 109.707 81.960 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.356 110.019 83.624 1.00 26.75 H new ATOM 0 HE ARG A 50 50.790 112.048 81.850 1.00 26.68 H new ATOM 0 HH11 ARG A 50 47.806 111.603 83.191 1.00 27.75 H new ATOM 0 HH12 ARG A 50 47.809 113.041 84.218 1.00 27.75 H new ATOM 0 HH21 ARG A 50 51.219 113.664 83.758 1.00 29.05 H new ATOM 0 HH22 ARG A 50 49.725 114.198 84.536 1.00 29.05 H new ATOM 723 N HIS A 51 55.209 108.609 82.449 1.00 22.89 N ATOM 724 CA HIS A 51 56.383 109.523 82.326 1.00 23.99 C ATOM 725 C HIS A 51 56.788 109.656 80.853 1.00 24.58 C ATOM 726 O HIS A 51 57.242 108.712 80.235 1.00 24.14 O ATOM 727 CB HIS A 51 57.494 108.857 83.145 1.00 22.92 C ATOM 728 CG HIS A 51 58.742 109.699 83.095 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.997 109.178 83.368 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.942 111.026 82.805 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.888 110.178 83.238 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.298 111.326 82.896 1.00 25.48 N ATOM 0 H HIS A 51 55.215 107.815 81.809 1.00 22.89 H new ATOM 0 HA HIS A 51 56.171 110.530 82.686 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.171 108.731 84.178 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.700 107.861 82.752 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.207 108.213 83.621 1.00 27.97 H new ATOM 0 HD2 HIS A 51 58.165 111.730 82.546 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.951 110.066 83.392 1.00 26.28 H new ATOM 740 N TRP A 52 56.617 110.825 80.292 1.00 24.73 N ATOM 741 CA TRP A 52 56.977 111.045 78.858 1.00 24.73 C ATOM 742 C TRP A 52 58.313 111.786 78.730 1.00 25.24 C ATOM 743 O TRP A 52 58.557 112.769 79.402 1.00 25.25 O ATOM 744 CB TRP A 52 55.853 111.920 78.305 1.00 22.37 C ATOM 745 CG TRP A 52 54.662 111.078 77.982 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.498 111.077 78.672 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.495 110.121 76.897 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.628 110.181 78.078 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.198 109.567 76.980 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.338 109.686 75.858 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.751 108.613 76.065 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.891 108.726 74.935 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.599 108.192 75.038 1.00 18.33 C ATOM 0 H TRP A 52 56.240 111.644 80.770 1.00 24.73 H new ATOM 0 HA TRP A 52 57.086 110.101 78.324 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.582 112.683 79.035 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.193 112.441 77.410 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.284 111.677 79.544 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.681 109.996 78.410 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.335 110.093 75.770 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.756 108.203 76.150 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.546 108.398 74.142 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.260 107.456 74.324 1.00 18.33 H new ATOM 764 N GLN A 53 59.169 111.318 77.859 1.00 0.00 N ATOM 765 CA GLN A 53 60.492 111.980 77.657 1.00 0.00 C ATOM 766 C GLN A 53 60.573 112.531 76.229 1.00 0.00 C ATOM 767 O GLN A 53 61.168 111.925 75.355 1.00 0.00 O ATOM 768 CB GLN A 53 61.522 110.868 77.861 1.00 0.00 C ATOM 769 CG GLN A 53 61.729 110.624 79.358 1.00 0.00 C ATOM 770 CD GLN A 53 62.950 111.407 79.845 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.861 111.670 79.084 1.00 0.00 O ATOM 772 NE2 GLN A 53 63.010 111.792 81.090 1.00 0.00 N ATOM 0 H GLN A 53 59.006 110.498 77.274 1.00 0.00 H new ATOM 0 HA GLN A 53 60.656 112.814 78.339 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.183 109.952 77.377 1.00 0.00 H new ATOM 0 HB3 GLN A 53 62.467 111.144 77.394 1.00 0.00 H new ATOM 0 HG2 GLN A 53 60.843 110.932 79.912 1.00 0.00 H new ATOM 0 HG3 GLN A 53 61.869 109.560 79.547 1.00 0.00 H new ATOM 0 HE21 GLN A 53 62.246 111.572 81.729 1.00 0.00 H new ATOM 0 HE22 GLN A 53 63.821 112.313 81.424 1.00 0.00 H new ATOM 781 N ILE A 54 59.963 113.663 75.982 1.00 28.56 N ATOM 782 CA ILE A 54 59.985 114.250 74.605 1.00 31.69 C ATOM 783 C ILE A 54 61.229 115.124 74.376 1.00 31.35 C ATOM 784 O ILE A 54 61.541 116.011 75.148 1.00 31.20 O ATOM 785 CB ILE A 54 58.672 115.064 74.474 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.704 116.321 75.356 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.471 114.198 74.872 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.475 117.184 75.056 1.00 36.11 C ATOM 0 H ILE A 54 59.450 114.208 76.675 1.00 28.56 H new ATOM 0 HA ILE A 54 60.043 113.472 73.844 1.00 31.69 H new ATOM 0 HB ILE A 54 58.576 115.372 73.433 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.716 116.040 76.409 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.615 116.888 75.167 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.555 114.780 74.776 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.418 113.327 74.218 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.586 113.870 75.905 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.496 118.077 75.681 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.483 117.476 74.006 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.570 116.614 75.267 1.00 36.11 H new ATOM 800 N THR A 55 61.929 114.878 73.299 1.00 32.39 N ATOM 801 CA THR A 55 63.138 115.692 72.967 1.00 32.79 C ATOM 802 C THR A 55 62.920 116.348 71.601 1.00 33.98 C ATOM 803 O THR A 55 62.527 115.706 70.645 1.00 33.62 O ATOM 804 CB THR A 55 64.317 114.715 72.949 1.00 32.44 C ATOM 805 OG1 THR A 55 64.462 114.127 74.234 1.00 30.14 O ATOM 806 CG2 THR A 55 65.605 115.455 72.573 1.00 31.51 C ATOM 0 H THR A 55 61.713 114.141 72.628 1.00 32.39 H new ATOM 0 HA THR A 55 63.329 116.488 73.687 1.00 32.79 H new ATOM 0 HB THR A 55 64.127 113.936 72.210 1.00 32.44 H new ATOM 0 HG1 THR A 55 65.215 113.500 74.224 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.438 114.753 72.563 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.493 115.900 71.584 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.801 116.239 73.304 1.00 31.51 H new ATOM 814 N ASP A 56 63.151 117.636 71.520 1.00 36.19 N ATOM 815 CA ASP A 56 62.936 118.360 70.234 1.00 38.66 C ATOM 816 C ASP A 56 64.208 118.362 69.378 1.00 38.50 C ATOM 817 O ASP A 56 65.271 117.966 69.812 1.00 37.75 O ATOM 818 CB ASP A 56 62.543 119.782 70.638 1.00 41.21 C ATOM 819 CG ASP A 56 61.944 120.512 69.435 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.709 120.954 68.594 1.00 45.04 O ATOM 821 OD2 ASP A 56 60.730 120.620 69.376 1.00 43.86 O ATOM 0 H ASP A 56 63.480 118.216 72.292 1.00 36.19 H new ATOM 0 HA ASP A 56 62.168 117.883 69.625 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.821 119.752 71.454 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.417 120.321 71.005 1.00 41.21 H new ATOM 826 N GLY A 57 64.085 118.799 68.150 1.00 37.51 N ATOM 827 CA GLY A 57 65.251 118.833 67.216 1.00 38.01 C ATOM 828 C GLY A 57 66.364 119.776 67.711 1.00 39.47 C ATOM 829 O GLY A 57 67.437 119.802 67.137 1.00 38.99 O ATOM 0 H GLY A 57 63.211 119.139 67.749 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.653 117.826 67.103 1.00 38.01 H new ATOM 0 HA3 GLY A 57 64.916 119.155 66.230 1.00 38.01 H new ATOM 833 N ASN A 58 66.146 120.534 68.766 1.00 0.00 N ATOM 834 CA ASN A 58 67.234 121.437 69.264 1.00 0.00 C ATOM 835 C ASN A 58 67.927 120.825 70.497 1.00 0.00 C ATOM 836 O ASN A 58 68.779 121.447 71.106 1.00 0.00 O ATOM 837 CB ASN A 58 66.544 122.755 69.618 1.00 0.00 C ATOM 838 CG ASN A 58 65.962 123.384 68.351 1.00 0.00 C ATOM 839 OD1 ASN A 58 64.775 123.630 68.271 1.00 0.00 O ATOM 840 ND2 ASN A 58 66.754 123.655 67.350 1.00 0.00 N ATOM 0 H ASN A 58 65.274 120.565 69.295 1.00 0.00 H new ATOM 0 HA ASN A 58 68.013 121.584 68.515 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.752 122.579 70.346 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.257 123.438 70.081 1.00 0.00 H new ATOM 0 HD21 ASN A 58 66.377 124.074 66.500 1.00 0.00 H new ATOM 0 HD22 ASN A 58 67.751 123.448 67.418 1.00 0.00 H new ATOM 847 N GLY A 59 67.589 119.606 70.853 1.00 0.00 N ATOM 848 CA GLY A 59 68.246 118.948 72.023 1.00 0.00 C ATOM 849 C GLY A 59 67.444 119.185 73.307 1.00 0.00 C ATOM 850 O GLY A 59 67.511 118.397 74.233 1.00 0.00 O ATOM 0 H GLY A 59 66.884 119.040 70.380 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.337 117.877 71.839 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.257 119.338 72.144 1.00 0.00 H new ATOM 854 N ARG A 60 66.690 120.257 73.380 1.00 49.10 N ATOM 855 CA ARG A 60 65.894 120.523 74.622 1.00 50.05 C ATOM 856 C ARG A 60 64.883 119.393 74.836 1.00 49.79 C ATOM 857 O ARG A 60 64.308 118.884 73.892 1.00 48.27 O ATOM 858 CB ARG A 60 65.170 121.852 74.365 1.00 52.38 C ATOM 859 CG ARG A 60 65.802 122.969 75.210 1.00 55.08 C ATOM 860 CD ARG A 60 66.580 123.932 74.305 1.00 57.97 C ATOM 861 NE ARG A 60 65.565 124.491 73.369 1.00 60.72 N ATOM 862 CZ ARG A 60 65.813 125.598 72.724 1.00 61.65 C ATOM 863 NH1 ARG A 60 66.837 125.666 71.917 1.00 61.80 N ATOM 864 NH2 ARG A 60 65.038 126.636 72.885 1.00 62.78 N ATOM 0 H ARG A 60 66.591 120.953 72.641 1.00 49.10 H new ATOM 0 HA ARG A 60 66.519 120.575 75.513 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.228 122.108 73.307 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.113 121.753 74.611 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.026 123.511 75.751 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.469 122.539 75.957 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.057 124.721 74.887 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.371 123.412 73.764 1.00 57.97 H new ATOM 0 HE ARG A 60 64.677 124.009 73.232 1.00 60.72 H new ATOM 0 HH11 ARG A 60 67.442 124.854 71.791 1.00 61.80 H new ATOM 0 HH12 ARG A 60 67.032 126.531 71.412 1.00 61.80 H new ATOM 0 HH21 ARG A 60 64.238 126.582 73.515 1.00 62.78 H new ATOM 0 HH22 ARG A 60 65.233 127.501 72.380 1.00 62.78 H new ATOM 878 N THR A 61 64.672 118.986 76.065 1.00 0.00 N ATOM 879 CA THR A 61 63.704 117.875 76.322 1.00 0.00 C ATOM 880 C THR A 61 62.738 118.253 77.446 1.00 0.00 C ATOM 881 O THR A 61 63.090 118.984 78.354 1.00 0.00 O ATOM 882 CB THR A 61 64.567 116.681 76.745 1.00 0.00 C ATOM 883 OG1 THR A 61 65.254 117.000 77.947 1.00 0.00 O ATOM 884 CG2 THR A 61 65.581 116.355 75.648 1.00 0.00 C ATOM 0 H THR A 61 65.124 119.372 76.894 1.00 0.00 H new ATOM 0 HA THR A 61 63.098 117.654 75.443 1.00 0.00 H new ATOM 0 HB THR A 61 63.927 115.814 76.907 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.805 116.238 78.221 1.00 0.00 H new ATOM 0 HG21 THR A 61 66.190 115.505 75.956 1.00 0.00 H new ATOM 0 HG22 THR A 61 65.053 116.108 74.727 1.00 0.00 H new ATOM 0 HG23 THR A 61 66.223 117.219 75.478 1.00 0.00 H new ATOM 892 N GLU A 62 61.527 117.760 77.397 1.00 0.00 N ATOM 893 CA GLU A 62 60.540 118.089 78.467 1.00 0.00 C ATOM 894 C GLU A 62 60.036 116.800 79.125 1.00 0.00 C ATOM 895 O GLU A 62 59.481 115.933 78.475 1.00 0.00 O ATOM 896 CB GLU A 62 59.399 118.811 77.750 1.00 0.00 C ATOM 897 CG GLU A 62 58.369 119.287 78.778 1.00 0.00 C ATOM 898 CD GLU A 62 57.217 120.014 78.071 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.424 120.488 76.963 1.00 0.00 O ATOM 900 OE2 GLU A 62 56.148 120.090 78.653 1.00 0.00 O ATOM 0 H GLU A 62 61.180 117.144 76.662 1.00 0.00 H new ATOM 0 HA GLU A 62 60.972 118.704 79.257 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.788 119.661 77.189 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.927 118.143 77.030 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.983 118.436 79.339 1.00 0.00 H new ATOM 0 HG3 GLU A 62 58.843 119.954 79.498 1.00 0.00 H new ATOM 907 N GLN A 63 60.240 116.672 80.410 1.00 0.00 N ATOM 908 CA GLN A 63 59.790 115.445 81.130 1.00 0.00 C ATOM 909 C GLN A 63 58.511 115.727 81.922 1.00 0.00 C ATOM 910 O GLN A 63 58.397 116.733 82.596 1.00 0.00 O ATOM 911 CB GLN A 63 60.937 115.126 82.091 1.00 0.00 C ATOM 912 CG GLN A 63 62.202 114.805 81.290 1.00 0.00 C ATOM 913 CD GLN A 63 63.377 114.609 82.249 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.475 113.593 82.908 1.00 0.00 O ATOM 915 NE2 GLN A 63 64.279 115.545 82.355 1.00 0.00 N ATOM 0 H GLN A 63 60.702 117.369 80.994 1.00 0.00 H new ATOM 0 HA GLN A 63 59.568 114.624 80.448 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.118 115.974 82.752 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.670 114.280 82.724 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.050 113.904 80.695 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.419 115.614 80.593 1.00 0.00 H new ATOM 0 HE21 GLN A 63 64.196 116.398 81.802 1.00 0.00 H new ATOM 0 HE22 GLN A 63 65.067 115.424 82.991 1.00 0.00 H new ATOM 924 N VAL A 64 57.551 114.841 81.844 1.00 37.94 N ATOM 925 CA VAL A 64 56.274 115.052 82.591 1.00 37.05 C ATOM 926 C VAL A 64 55.942 113.810 83.424 1.00 36.89 C ATOM 927 O VAL A 64 55.959 112.697 82.941 1.00 36.32 O ATOM 928 CB VAL A 64 55.209 115.299 81.516 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.848 115.528 82.180 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.586 116.536 80.698 1.00 35.74 C ATOM 0 H VAL A 64 57.596 113.982 81.296 1.00 37.94 H new ATOM 0 HA VAL A 64 56.334 115.889 83.287 1.00 37.05 H new ATOM 0 HB VAL A 64 55.152 114.429 80.861 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.094 115.703 81.413 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.575 114.648 82.763 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.905 116.396 82.837 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.829 116.711 79.934 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.645 117.403 81.356 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.553 116.376 80.221 1.00 35.74 H new ATOM 940 N ASP A 65 55.645 114.013 84.680 1.00 0.00 N ATOM 941 CA ASP A 65 55.312 112.873 85.587 1.00 0.00 C ATOM 942 C ASP A 65 53.961 113.122 86.265 1.00 0.00 C ATOM 943 O ASP A 65 53.748 114.152 86.878 1.00 0.00 O ATOM 944 CB ASP A 65 56.443 112.844 86.624 1.00 0.00 C ATOM 945 CG ASP A 65 56.508 114.180 87.373 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.712 115.193 86.724 1.00 0.00 O ATOM 947 OD2 ASP A 65 56.352 114.166 88.584 1.00 0.00 O ATOM 0 H ASP A 65 55.618 114.932 85.123 1.00 0.00 H new ATOM 0 HA ASP A 65 55.231 111.926 85.053 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.278 112.030 87.330 1.00 0.00 H new ATOM 0 HB3 ASP A 65 57.395 112.649 86.130 1.00 0.00 H new ATOM 952 N GLY A 66 53.051 112.186 86.165 1.00 31.82 N ATOM 953 CA GLY A 66 51.714 112.365 86.807 1.00 29.07 C ATOM 954 C GLY A 66 51.154 111.001 87.212 1.00 27.67 C ATOM 955 O GLY A 66 51.449 109.994 86.597 1.00 27.18 O ATOM 0 H GLY A 66 53.177 111.305 85.666 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.803 113.008 87.683 1.00 29.07 H new ATOM 0 HA3 GLY A 66 51.031 112.860 86.117 1.00 29.07 H new ATOM 959 N GLU A 67 50.348 110.960 88.242 1.00 0.00 N ATOM 960 CA GLU A 67 49.764 109.659 88.687 1.00 0.00 C ATOM 961 C GLU A 67 48.611 109.251 87.762 1.00 0.00 C ATOM 962 O GLU A 67 47.984 110.085 87.137 1.00 0.00 O ATOM 963 CB GLU A 67 49.257 109.904 90.116 1.00 0.00 C ATOM 964 CG GLU A 67 48.210 111.025 90.124 1.00 0.00 C ATOM 965 CD GLU A 67 47.395 110.951 91.417 1.00 0.00 C ATOM 966 OE1 GLU A 67 46.502 110.123 91.485 1.00 0.00 O ATOM 967 OE2 GLU A 67 47.680 111.724 92.317 1.00 0.00 O ATOM 0 H GLU A 67 50.069 111.771 88.794 1.00 0.00 H new ATOM 0 HA GLU A 67 50.495 108.851 88.656 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.823 108.988 90.517 1.00 0.00 H new ATOM 0 HB3 GLU A 67 50.091 110.172 90.764 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.700 111.996 90.045 1.00 0.00 H new ATOM 0 HG3 GLU A 67 47.552 110.929 89.260 1.00 0.00 H new ATOM 974 N GLY A 68 48.322 107.976 87.680 1.00 22.62 N ATOM 975 CA GLY A 68 47.202 107.497 86.809 1.00 22.36 C ATOM 976 C GLY A 68 47.350 108.033 85.379 1.00 20.38 C ATOM 977 O GLY A 68 48.323 108.674 85.038 1.00 21.93 O ATOM 0 H GLY A 68 48.818 107.240 88.183 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.189 106.407 86.793 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.248 107.821 87.226 1.00 22.36 H new ATOM 981 N VAL A 69 46.372 107.773 84.553 1.00 17.51 N ATOM 982 CA VAL A 69 46.405 108.257 83.137 1.00 15.40 C ATOM 983 C VAL A 69 45.099 108.984 82.812 1.00 17.02 C ATOM 984 O VAL A 69 44.019 108.477 83.024 1.00 17.35 O ATOM 985 CB VAL A 69 46.568 107.010 82.250 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.983 106.456 82.407 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.550 105.929 82.644 1.00 8.21 C ATOM 0 H VAL A 69 45.539 107.239 84.801 1.00 17.51 H new ATOM 0 HA VAL A 69 47.224 108.957 82.970 1.00 15.40 H new ATOM 0 HB VAL A 69 46.393 107.294 81.212 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.100 105.573 81.779 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.706 107.214 82.105 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.154 106.186 83.449 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.681 105.055 82.005 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.706 105.644 83.685 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.540 106.319 82.522 1.00 8.21 H new ATOM 997 N VAL A 70 45.219 110.190 82.309 1.00 17.68 N ATOM 998 CA VAL A 70 44.033 111.046 81.950 1.00 16.81 C ATOM 999 C VAL A 70 42.916 110.954 83.012 1.00 17.08 C ATOM 1000 O VAL A 70 41.740 111.004 82.706 1.00 16.77 O ATOM 1001 CB VAL A 70 43.558 110.598 80.550 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.732 110.628 79.559 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.964 109.188 80.607 1.00 20.55 C ATOM 0 H VAL A 70 46.119 110.634 82.125 1.00 17.68 H new ATOM 0 HA VAL A 70 44.312 112.099 81.927 1.00 16.81 H new ATOM 0 HB VAL A 70 42.785 111.289 80.213 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.386 110.310 78.575 1.00 19.36 H new ATOM 0 HG12 VAL A 70 45.128 111.641 79.495 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.516 109.953 79.903 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.635 108.891 79.611 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.720 108.489 80.963 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.113 109.179 81.288 1.00 20.55 H new ATOM 1013 N GLY A 71 43.297 110.865 84.264 1.00 17.30 N ATOM 1014 CA GLY A 71 42.300 110.821 85.382 1.00 16.44 C ATOM 1015 C GLY A 71 41.743 109.409 85.631 1.00 18.03 C ATOM 1016 O GLY A 71 40.734 109.262 86.297 1.00 18.29 O ATOM 0 H GLY A 71 44.271 110.820 84.563 1.00 17.30 H new ATOM 0 HA2 GLY A 71 42.769 111.187 86.295 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.476 111.496 85.154 1.00 16.44 H new ATOM 1020 N GLU A 72 42.372 108.375 85.124 1.00 0.00 N ATOM 1021 CA GLU A 72 41.833 106.996 85.375 1.00 0.00 C ATOM 1022 C GLU A 72 42.949 105.951 85.488 1.00 0.00 C ATOM 1023 O GLU A 72 44.007 106.077 84.907 1.00 0.00 O ATOM 1024 CB GLU A 72 40.915 106.679 84.192 1.00 0.00 C ATOM 1025 CG GLU A 72 41.702 106.745 82.888 1.00 0.00 C ATOM 1026 CD GLU A 72 40.848 106.189 81.748 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.716 104.978 81.670 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.342 106.983 80.972 1.00 0.00 O ATOM 0 H GLU A 72 43.219 108.421 84.558 1.00 0.00 H new ATOM 0 HA GLU A 72 41.299 106.964 86.325 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.480 105.687 84.314 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.088 107.388 84.163 1.00 0.00 H new ATOM 0 HG2 GLU A 72 41.986 107.775 82.674 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.625 106.172 82.978 1.00 0.00 H new ATOM 1035 N GLN A 73 42.688 104.911 86.235 1.00 13.09 N ATOM 1036 CA GLN A 73 43.682 103.813 86.420 1.00 15.45 C ATOM 1037 C GLN A 73 43.113 102.524 85.809 1.00 15.30 C ATOM 1038 O GLN A 73 42.648 101.652 86.521 1.00 16.40 O ATOM 1039 CB GLN A 73 43.821 103.669 87.939 1.00 18.12 C ATOM 1040 CG GLN A 73 44.560 104.883 88.503 1.00 18.21 C ATOM 1041 CD GLN A 73 44.474 104.868 90.030 1.00 16.98 C ATOM 1042 OE1 GLN A 73 44.589 103.828 90.647 1.00 18.14 O ATOM 1043 NE2 GLN A 73 44.275 105.987 90.671 1.00 14.04 N ATOM 0 H GLN A 73 41.810 104.774 86.735 1.00 13.09 H new ATOM 0 HA GLN A 73 44.642 104.014 85.943 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.836 103.584 88.398 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.365 102.755 88.180 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.603 104.867 88.187 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.123 105.802 88.112 1.00 18.21 H new ATOM 0 HE21 GLN A 73 44.178 106.861 90.154 1.00 14.04 H new ATOM 0 HE22 GLN A 73 44.216 105.988 91.689 1.00 14.04 H new ATOM 1052 N PRO A 74 43.139 102.460 84.496 1.00 15.25 N ATOM 1053 CA PRO A 74 42.568 101.256 83.821 1.00 16.63 C ATOM 1054 C PRO A 74 43.245 99.959 84.280 1.00 17.41 C ATOM 1055 O PRO A 74 44.455 99.873 84.401 1.00 17.61 O ATOM 1056 CB PRO A 74 42.836 101.499 82.339 1.00 16.18 C ATOM 1057 CG PRO A 74 44.006 102.420 82.307 1.00 16.38 C ATOM 1058 CD PRO A 74 43.916 103.274 83.541 1.00 13.89 C ATOM 0 HA PRO A 74 41.511 101.130 84.054 1.00 16.63 H new ATOM 0 HB2 PRO A 74 43.053 100.566 81.819 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.970 101.943 81.849 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.940 101.859 82.292 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.990 103.036 81.408 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.905 103.510 83.933 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.421 104.222 83.332 1.00 13.89 H new ATOM 1066 N TRP A 75 42.451 98.943 84.503 1.00 0.00 N ATOM 1067 CA TRP A 75 42.987 97.615 84.925 1.00 0.00 C ATOM 1068 C TRP A 75 43.007 96.695 83.703 1.00 0.00 C ATOM 1069 O TRP A 75 42.152 95.845 83.538 1.00 0.00 O ATOM 1070 CB TRP A 75 41.985 97.107 85.967 1.00 0.00 C ATOM 1071 CG TRP A 75 42.631 96.072 86.834 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.497 96.332 87.839 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.469 94.624 86.797 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.883 95.136 88.417 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.275 94.055 87.811 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.709 93.757 85.991 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.328 92.676 88.018 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.759 92.367 86.197 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.568 91.829 87.208 1.00 0.00 C ATOM 0 H TRP A 75 41.436 98.979 84.408 1.00 0.00 H new ATOM 0 HA TRP A 75 43.998 97.659 85.331 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.631 97.937 86.579 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.113 96.684 85.469 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.833 97.313 88.141 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.537 95.062 89.196 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.083 94.162 85.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 43.952 92.267 88.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.171 91.710 85.573 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.603 90.760 87.360 1.00 0.00 H new ATOM 1090 N LEU A 76 43.956 96.890 82.826 1.00 18.07 N ATOM 1091 CA LEU A 76 44.020 96.063 81.582 1.00 17.96 C ATOM 1092 C LEU A 76 44.178 94.575 81.891 1.00 19.47 C ATOM 1093 O LEU A 76 45.164 94.146 82.459 1.00 20.57 O ATOM 1094 CB LEU A 76 45.237 96.578 80.813 1.00 16.79 C ATOM 1095 CG LEU A 76 44.795 97.644 79.808 1.00 17.27 C ATOM 1096 CD1 LEU A 76 46.023 98.233 79.117 1.00 13.86 C ATOM 1097 CD2 LEU A 76 43.880 97.010 78.756 1.00 15.14 C ATOM 0 H LEU A 76 44.693 97.589 82.917 1.00 18.07 H new ATOM 0 HA LEU A 76 43.097 96.153 81.009 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.967 96.997 81.506 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.727 95.754 80.293 1.00 16.79 H new ATOM 0 HG LEU A 76 44.256 98.433 80.333 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.708 98.992 78.401 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.678 98.686 79.862 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.561 97.442 78.594 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.566 97.770 78.041 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.420 96.221 78.233 1.00 15.14 H new ATOM 0 HD23 LEU A 76 43.002 96.587 79.245 1.00 15.14 H new ATOM 1109 N ARG A 77 43.218 93.785 81.483 1.00 0.00 N ATOM 1110 CA ARG A 77 43.300 92.315 81.705 1.00 0.00 C ATOM 1111 C ARG A 77 44.073 91.686 80.542 1.00 0.00 C ATOM 1112 O ARG A 77 44.173 92.282 79.486 1.00 0.00 O ATOM 1113 CB ARG A 77 41.847 91.833 81.713 1.00 0.00 C ATOM 1114 CG ARG A 77 41.244 92.045 83.103 1.00 0.00 C ATOM 1115 CD ARG A 77 39.770 92.440 82.967 1.00 0.00 C ATOM 1116 NE ARG A 77 39.103 91.241 82.389 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.290 90.530 83.122 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.391 91.121 83.860 1.00 0.00 N ATOM 1119 NH2 ARG A 77 38.376 89.228 83.116 1.00 0.00 N ATOM 0 H ARG A 77 42.376 94.100 81.002 1.00 0.00 H new ATOM 0 HA ARG A 77 43.811 92.047 82.630 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.268 92.378 80.967 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.802 90.778 81.443 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.334 91.133 83.693 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.792 92.823 83.634 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.341 92.703 83.934 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.652 93.308 82.319 1.00 0.00 H new ATOM 0 HE ARG A 77 39.281 90.975 81.421 1.00 0.00 H new ATOM 0 HH11 ARG A 77 37.323 92.139 83.864 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.756 90.565 84.433 1.00 0.00 H new ATOM 0 HH21 ARG A 77 39.078 88.766 82.539 1.00 0.00 H new ATOM 0 HH22 ARG A 77 37.741 88.672 83.689 1.00 0.00 H new ATOM 1133 N PRO A 78 44.609 90.507 80.762 1.00 23.86 N ATOM 1134 CA PRO A 78 45.384 89.859 79.658 1.00 24.22 C ATOM 1135 C PRO A 78 44.541 89.756 78.375 1.00 24.36 C ATOM 1136 O PRO A 78 43.426 89.270 78.384 1.00 22.27 O ATOM 1137 CB PRO A 78 45.730 88.477 80.201 1.00 25.39 C ATOM 1138 CG PRO A 78 44.682 88.200 81.224 1.00 27.04 C ATOM 1139 CD PRO A 78 44.304 89.528 81.822 1.00 25.13 C ATOM 0 HA PRO A 78 46.271 90.430 79.383 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.720 87.727 79.410 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.727 88.463 80.641 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.816 87.718 80.771 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.058 87.523 81.991 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.249 89.555 82.096 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.874 89.733 82.728 1.00 25.13 H new ATOM 1147 N GLY A 79 45.088 90.206 77.274 1.00 24.74 N ATOM 1148 CA GLY A 79 44.353 90.138 75.975 1.00 23.79 C ATOM 1149 C GLY A 79 43.520 91.409 75.746 1.00 23.44 C ATOM 1150 O GLY A 79 43.126 91.696 74.631 1.00 22.44 O ATOM 0 H GLY A 79 46.018 90.620 77.219 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.063 90.012 75.158 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.700 89.265 75.968 1.00 23.79 H new ATOM 1154 N GLU A 80 43.248 92.174 76.778 1.00 23.31 N ATOM 1155 CA GLU A 80 42.441 93.425 76.594 1.00 21.90 C ATOM 1156 C GLU A 80 43.349 94.609 76.253 1.00 20.95 C ATOM 1157 O GLU A 80 44.555 94.546 76.401 1.00 19.52 O ATOM 1158 CB GLU A 80 41.735 93.657 77.929 1.00 23.06 C ATOM 1159 CG GLU A 80 40.523 92.729 78.036 1.00 23.88 C ATOM 1160 CD GLU A 80 39.662 93.136 79.235 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.649 94.312 79.564 1.00 29.38 O ATOM 1162 OE2 GLU A 80 39.029 92.263 79.807 1.00 25.91 O ATOM 0 H GLU A 80 43.548 91.988 77.735 1.00 23.31 H new ATOM 0 HA GLU A 80 41.731 93.328 75.773 1.00 21.90 H new ATOM 0 HB2 GLU A 80 42.423 93.470 78.753 1.00 23.06 H new ATOM 0 HB3 GLU A 80 41.418 94.697 78.008 1.00 23.06 H new ATOM 0 HG2 GLU A 80 39.934 92.778 77.120 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.853 91.696 78.148 1.00 23.88 H new ATOM 1169 N ALA A 81 42.769 95.691 75.792 1.00 0.00 N ATOM 1170 CA ALA A 81 43.580 96.891 75.428 1.00 0.00 C ATOM 1171 C ALA A 81 42.801 98.171 75.757 1.00 0.00 C ATOM 1172 O ALA A 81 41.587 98.206 75.681 1.00 0.00 O ATOM 1173 CB ALA A 81 43.815 96.774 73.923 1.00 0.00 C ATOM 0 H ALA A 81 41.764 95.793 75.652 1.00 0.00 H new ATOM 0 HA ALA A 81 44.519 96.939 75.980 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.406 97.623 73.580 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.350 95.849 73.709 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.856 96.766 73.405 1.00 0.00 H new ATOM 1179 N PHE A 82 43.495 99.226 76.105 1.00 18.56 N ATOM 1180 CA PHE A 82 42.810 100.515 76.423 1.00 17.00 C ATOM 1181 C PHE A 82 43.260 101.584 75.420 1.00 16.61 C ATOM 1182 O PHE A 82 44.397 101.586 74.992 1.00 15.77 O ATOM 1183 CB PHE A 82 43.265 100.871 77.841 1.00 13.41 C ATOM 1184 CG PHE A 82 42.629 102.174 78.268 1.00 12.03 C ATOM 1185 CD1 PHE A 82 43.275 103.388 78.010 1.00 12.24 C ATOM 1186 CD2 PHE A 82 41.388 102.165 78.917 1.00 10.24 C ATOM 1187 CE1 PHE A 82 42.681 104.594 78.402 1.00 8.77 C ATOM 1188 CE2 PHE A 82 40.795 103.370 79.309 1.00 10.01 C ATOM 1189 CZ PHE A 82 41.442 104.585 79.052 1.00 9.06 C ATOM 0 H PHE A 82 44.512 99.249 76.183 1.00 18.56 H new ATOM 0 HA PHE A 82 41.724 100.446 76.362 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.987 100.076 78.533 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.351 100.957 77.874 1.00 13.41 H new ATOM 0 HD1 PHE A 82 44.232 103.395 77.509 1.00 12.24 H new ATOM 0 HD2 PHE A 82 40.889 101.228 79.115 1.00 10.24 H new ATOM 0 HE1 PHE A 82 43.179 105.531 78.203 1.00 8.77 H new ATOM 0 HE2 PHE A 82 39.838 103.363 79.810 1.00 10.01 H new ATOM 0 HZ PHE A 82 40.985 105.515 79.356 1.00 9.06 H new ATOM 1199 N HIS A 83 42.387 102.482 75.034 1.00 0.00 N ATOM 1200 CA HIS A 83 42.792 103.535 74.049 1.00 0.00 C ATOM 1201 C HIS A 83 42.121 104.877 74.362 1.00 0.00 C ATOM 1202 O HIS A 83 40.958 104.936 74.714 1.00 0.00 O ATOM 1203 CB HIS A 83 42.331 103.005 72.684 1.00 0.00 C ATOM 1204 CG HIS A 83 40.841 102.774 72.692 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.937 103.777 72.378 1.00 0.00 N ATOM 1206 CD2 HIS A 83 40.086 101.663 72.972 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.701 103.254 72.477 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.735 101.968 72.837 1.00 0.00 N ATOM 0 H HIS A 83 41.420 102.533 75.354 1.00 0.00 H new ATOM 0 HA HIS A 83 43.866 103.719 74.078 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.592 103.718 71.902 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.850 102.075 72.453 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.480 100.698 73.254 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.792 103.807 72.288 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.941 101.344 72.982 1.00 0.00 H new ATOM 1216 N TYR A 84 42.848 105.956 74.212 1.00 21.96 N ATOM 1217 CA TYR A 84 42.267 107.308 74.469 1.00 22.81 C ATOM 1218 C TYR A 84 42.973 108.349 73.587 1.00 25.11 C ATOM 1219 O TYR A 84 44.061 108.115 73.095 1.00 26.65 O ATOM 1220 CB TYR A 84 42.483 107.577 75.970 1.00 19.35 C ATOM 1221 CG TYR A 84 43.954 107.739 76.292 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.738 106.616 76.580 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.527 109.017 76.314 1.00 15.59 C ATOM 1224 CE1 TYR A 84 46.096 106.770 76.887 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.882 109.171 76.624 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.667 108.048 76.911 1.00 12.19 C ATOM 1227 OH TYR A 84 48.003 108.200 77.216 1.00 13.46 O ATOM 0 H TYR A 84 43.825 105.957 73.921 1.00 21.96 H new ATOM 0 HA TYR A 84 41.206 107.365 74.224 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.943 108.478 76.262 1.00 19.35 H new ATOM 0 HB3 TYR A 84 42.069 106.754 76.553 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.296 105.631 76.566 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.922 109.884 76.092 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.702 105.903 77.105 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.323 110.157 76.642 1.00 14.00 H new ATOM 0 HH TYR A 84 48.239 109.151 77.188 1.00 13.46 H new ATOM 1237 N THR A 85 42.357 109.485 73.372 1.00 26.58 N ATOM 1238 CA THR A 85 42.990 110.530 72.507 1.00 26.99 C ATOM 1239 C THR A 85 43.620 111.639 73.357 1.00 28.14 C ATOM 1240 O THR A 85 43.045 112.093 74.329 1.00 27.02 O ATOM 1241 CB THR A 85 41.845 111.088 71.662 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.211 110.025 70.965 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.395 112.103 70.659 1.00 21.76 C ATOM 0 H THR A 85 41.446 109.734 73.757 1.00 26.58 H new ATOM 0 HA THR A 85 43.793 110.118 71.896 1.00 26.99 H new ATOM 0 HB THR A 85 41.121 111.580 72.311 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.475 110.381 70.424 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.577 112.500 70.057 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.880 112.919 71.195 1.00 21.76 H new ATOM 0 HG23 THR A 85 43.121 111.615 70.008 1.00 21.76 H new ATOM 1251 N SER A 86 44.799 112.077 72.989 1.00 29.06 N ATOM 1252 CA SER A 86 45.479 113.160 73.760 1.00 29.05 C ATOM 1253 C SER A 86 45.832 114.325 72.825 1.00 29.43 C ATOM 1254 O SER A 86 45.774 114.187 71.612 1.00 29.12 O ATOM 1255 CB SER A 86 46.747 112.511 74.305 1.00 29.12 C ATOM 1256 OG SER A 86 47.603 113.520 74.824 1.00 33.88 O ATOM 0 H SER A 86 45.320 111.729 72.184 1.00 29.06 H new ATOM 0 HA SER A 86 44.852 113.565 74.554 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.496 111.794 75.086 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.255 111.957 73.515 1.00 29.12 H new ATOM 0 HG SER A 86 48.328 113.694 74.187 1.00 33.88 H new ATOM 1262 N GLY A 87 46.208 115.461 73.364 1.00 29.08 N ATOM 1263 CA GLY A 87 46.563 116.618 72.487 1.00 29.89 C ATOM 1264 C GLY A 87 47.754 117.388 73.071 1.00 31.80 C ATOM 1265 O GLY A 87 47.722 117.840 74.200 1.00 31.40 O ATOM 0 H GLY A 87 46.284 115.635 74.366 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.808 116.262 71.486 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.705 117.283 72.388 1.00 29.89 H new ATOM 1269 N VAL A 88 48.797 117.547 72.297 1.00 0.00 N ATOM 1270 CA VAL A 88 50.001 118.297 72.778 1.00 0.00 C ATOM 1271 C VAL A 88 50.461 119.289 71.704 1.00 0.00 C ATOM 1272 O VAL A 88 50.220 119.098 70.527 1.00 0.00 O ATOM 1273 CB VAL A 88 51.079 117.240 73.035 1.00 0.00 C ATOM 1274 CG1 VAL A 88 50.622 116.313 74.163 1.00 0.00 C ATOM 1275 CG2 VAL A 88 51.321 116.419 71.764 1.00 0.00 C ATOM 0 H VAL A 88 48.868 117.187 71.345 1.00 0.00 H new ATOM 0 HA VAL A 88 49.790 118.871 73.680 1.00 0.00 H new ATOM 0 HB VAL A 88 52.007 117.736 73.321 1.00 0.00 H new ATOM 0 HG11 VAL A 88 51.388 115.560 74.348 1.00 0.00 H new ATOM 0 HG12 VAL A 88 50.460 116.896 75.070 1.00 0.00 H new ATOM 0 HG13 VAL A 88 49.692 115.822 73.876 1.00 0.00 H new ATOM 0 HG21 VAL A 88 52.089 115.670 71.956 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.396 115.923 71.469 1.00 0.00 H new ATOM 0 HG23 VAL A 88 51.650 117.079 70.962 1.00 0.00 H new ATOM 1285 N LEU A 89 51.110 120.353 72.107 1.00 0.00 N ATOM 1286 CA LEU A 89 51.577 121.371 71.117 1.00 0.00 C ATOM 1287 C LEU A 89 53.102 121.332 70.964 1.00 0.00 C ATOM 1288 O LEU A 89 53.827 121.090 71.910 1.00 0.00 O ATOM 1289 CB LEU A 89 51.134 122.715 71.694 1.00 0.00 C ATOM 1290 CG LEU A 89 49.610 122.826 71.624 1.00 0.00 C ATOM 1291 CD1 LEU A 89 49.000 122.355 72.946 1.00 0.00 C ATOM 1292 CD2 LEU A 89 49.215 124.282 71.371 1.00 0.00 C ATOM 0 H LEU A 89 51.337 120.560 73.080 1.00 0.00 H new ATOM 0 HA LEU A 89 51.163 121.189 70.125 1.00 0.00 H new ATOM 0 HB2 LEU A 89 51.468 122.806 72.727 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.594 123.531 71.137 1.00 0.00 H new ATOM 0 HG LEU A 89 49.239 122.202 70.811 1.00 0.00 H new ATOM 0 HD11 LEU A 89 47.914 122.435 72.895 1.00 0.00 H new ATOM 0 HD12 LEU A 89 49.280 121.317 73.126 1.00 0.00 H new ATOM 0 HD13 LEU A 89 49.371 122.977 73.760 1.00 0.00 H new ATOM 0 HD21 LEU A 89 48.129 124.361 71.321 1.00 0.00 H new ATOM 0 HD22 LEU A 89 49.587 124.906 72.183 1.00 0.00 H new ATOM 0 HD23 LEU A 89 49.647 124.618 70.428 1.00 0.00 H new ATOM 1304 N LEU A 90 53.585 121.571 69.771 1.00 37.85 N ATOM 1305 CA LEU A 90 55.061 121.553 69.530 1.00 36.74 C ATOM 1306 C LEU A 90 55.511 122.917 68.994 1.00 35.30 C ATOM 1307 O LEU A 90 54.772 123.589 68.298 1.00 35.10 O ATOM 1308 CB LEU A 90 55.278 120.461 68.478 1.00 38.41 C ATOM 1309 CG LEU A 90 56.506 119.627 68.851 1.00 38.68 C ATOM 1310 CD1 LEU A 90 56.393 118.240 68.213 1.00 37.80 C ATOM 1311 CD2 LEU A 90 57.768 120.322 68.338 1.00 38.08 C ATOM 0 H LEU A 90 53.018 121.779 68.949 1.00 37.85 H new ATOM 0 HA LEU A 90 55.633 121.357 70.437 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.397 119.822 68.415 1.00 38.41 H new ATOM 0 HB3 LEU A 90 55.416 120.911 67.495 1.00 38.41 H new ATOM 0 HG LEU A 90 56.561 119.525 69.935 1.00 38.68 H new ATOM 0 HD11 LEU A 90 57.267 117.645 68.478 1.00 37.80 H new ATOM 0 HD12 LEU A 90 55.493 117.744 68.577 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.338 118.341 67.129 1.00 37.80 H new ATOM 0 HD21 LEU A 90 58.643 119.729 68.603 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.713 120.423 67.254 1.00 38.08 H new ATOM 0 HD23 LEU A 90 57.849 121.310 68.791 1.00 38.08 H new ATOM 1323 N GLU A 91 56.708 123.340 69.321 1.00 0.00 N ATOM 1324 CA GLU A 91 57.194 124.671 68.838 1.00 0.00 C ATOM 1325 C GLU A 91 57.642 124.601 67.371 1.00 0.00 C ATOM 1326 O GLU A 91 57.620 125.593 66.668 1.00 0.00 O ATOM 1327 CB GLU A 91 58.381 125.013 69.742 1.00 0.00 C ATOM 1328 CG GLU A 91 58.906 126.410 69.395 1.00 0.00 C ATOM 1329 CD GLU A 91 60.097 126.766 70.295 1.00 0.00 C ATOM 1330 OE1 GLU A 91 60.231 126.159 71.347 1.00 0.00 O ATOM 1331 OE2 GLU A 91 60.853 127.645 69.918 1.00 0.00 O ATOM 0 H GLU A 91 57.369 122.822 69.901 1.00 0.00 H new ATOM 0 HA GLU A 91 56.408 125.424 68.883 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.076 124.977 70.788 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.172 124.274 69.615 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.209 126.443 68.348 1.00 0.00 H new ATOM 0 HG3 GLU A 91 58.112 127.147 69.521 1.00 0.00 H new ATOM 1338 N THR A 92 58.060 123.446 66.907 1.00 31.63 N ATOM 1339 CA THR A 92 58.518 123.334 65.486 1.00 28.98 C ATOM 1340 C THR A 92 57.749 122.233 64.748 1.00 28.33 C ATOM 1341 O THR A 92 56.978 121.499 65.337 1.00 29.20 O ATOM 1342 CB THR A 92 60.006 122.989 65.571 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.168 121.777 66.296 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.755 124.117 66.283 1.00 25.50 C ATOM 0 H THR A 92 58.103 122.582 67.447 1.00 31.63 H new ATOM 0 HA THR A 92 58.343 124.256 64.931 1.00 28.98 H new ATOM 0 HB THR A 92 60.409 122.868 64.566 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.301 121.036 65.669 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.815 123.869 66.342 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.630 125.045 65.725 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.354 124.241 67.289 1.00 25.50 H new ATOM 1352 N GLU A 93 57.949 122.127 63.457 1.00 0.00 N ATOM 1353 CA GLU A 93 57.227 121.087 62.658 1.00 0.00 C ATOM 1354 C GLU A 93 57.978 119.750 62.668 1.00 0.00 C ATOM 1355 O GLU A 93 57.653 118.853 61.912 1.00 0.00 O ATOM 1356 CB GLU A 93 57.188 121.646 61.235 1.00 0.00 C ATOM 1357 CG GLU A 93 56.367 122.936 61.212 1.00 0.00 C ATOM 1358 CD GLU A 93 56.330 123.492 59.788 1.00 0.00 C ATOM 1359 OE1 GLU A 93 57.299 124.119 59.392 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.334 123.280 59.116 1.00 0.00 O ATOM 0 H GLU A 93 58.584 122.718 62.920 1.00 0.00 H new ATOM 0 HA GLU A 93 56.236 120.890 63.067 1.00 0.00 H new ATOM 0 HB2 GLU A 93 58.201 121.841 60.883 1.00 0.00 H new ATOM 0 HB3 GLU A 93 56.751 120.913 60.557 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.354 122.741 61.564 1.00 0.00 H new ATOM 0 HG3 GLU A 93 56.804 123.670 61.889 1.00 0.00 H new ATOM 1367 N GLN A 94 58.971 119.597 63.512 1.00 0.00 N ATOM 1368 CA GLN A 94 59.722 118.307 63.556 1.00 0.00 C ATOM 1369 C GLN A 94 60.034 117.942 65.007 1.00 0.00 C ATOM 1370 O GLN A 94 60.299 118.815 65.815 1.00 0.00 O ATOM 1371 CB GLN A 94 61.013 118.577 62.783 1.00 0.00 C ATOM 1372 CG GLN A 94 60.694 118.742 61.296 1.00 0.00 C ATOM 1373 CD GLN A 94 61.985 119.012 60.522 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.859 119.710 61.000 1.00 0.00 O ATOM 1375 NE2 GLN A 94 62.145 118.487 59.339 1.00 0.00 N ATOM 0 H GLN A 94 59.291 120.308 64.169 1.00 0.00 H new ATOM 0 HA GLN A 94 59.158 117.478 63.128 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.496 119.477 63.164 1.00 0.00 H new ATOM 0 HB3 GLN A 94 61.714 117.754 62.926 1.00 0.00 H new ATOM 0 HG2 GLN A 94 60.211 117.842 60.915 1.00 0.00 H new ATOM 0 HG3 GLN A 94 59.993 119.565 61.153 1.00 0.00 H new ATOM 0 HE21 GLN A 94 61.413 117.902 58.938 1.00 0.00 H new ATOM 0 HE22 GLN A 94 63.003 118.662 58.815 1.00 0.00 H new ATOM 1384 N GLY A 95 60.015 116.675 65.357 1.00 27.89 N ATOM 1385 CA GLY A 95 60.324 116.315 66.774 1.00 28.05 C ATOM 1386 C GLY A 95 60.211 114.810 67.027 1.00 27.70 C ATOM 1387 O GLY A 95 59.520 114.088 66.336 1.00 25.89 O ATOM 0 H GLY A 95 59.804 115.893 64.737 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.332 116.648 67.020 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.642 116.845 67.439 1.00 28.05 H new ATOM 1391 N GLN A 96 60.888 114.355 68.049 1.00 0.00 N ATOM 1392 CA GLN A 96 60.853 112.911 68.429 1.00 0.00 C ATOM 1393 C GLN A 96 60.342 112.777 69.869 1.00 0.00 C ATOM 1394 O GLN A 96 60.786 113.478 70.759 1.00 0.00 O ATOM 1395 CB GLN A 96 62.307 112.425 68.314 1.00 0.00 C ATOM 1396 CG GLN A 96 63.227 113.237 69.235 1.00 0.00 C ATOM 1397 CD GLN A 96 64.661 112.726 69.094 1.00 0.00 C ATOM 1398 OE1 GLN A 96 65.165 112.593 67.997 1.00 0.00 O ATOM 1399 NE2 GLN A 96 65.345 112.432 70.166 1.00 0.00 N ATOM 0 H GLN A 96 61.475 114.935 68.648 1.00 0.00 H new ATOM 0 HA GLN A 96 60.190 112.324 67.794 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.364 111.368 68.575 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.645 112.517 67.282 1.00 0.00 H new ATOM 0 HG2 GLN A 96 63.178 114.295 68.976 1.00 0.00 H new ATOM 0 HG3 GLN A 96 62.897 113.147 70.270 1.00 0.00 H new ATOM 0 HE21 GLN A 96 64.922 112.544 71.087 1.00 0.00 H new ATOM 0 HE22 GLN A 96 66.303 112.091 70.082 1.00 0.00 H new ATOM 1408 N MET A 97 59.393 111.904 70.099 1.00 0.00 N ATOM 1409 CA MET A 97 58.837 111.751 71.479 1.00 0.00 C ATOM 1410 C MET A 97 58.875 110.289 71.938 1.00 0.00 C ATOM 1411 O MET A 97 58.272 109.425 71.333 1.00 0.00 O ATOM 1412 CB MET A 97 57.388 112.226 71.364 1.00 0.00 C ATOM 1413 CG MET A 97 57.362 113.739 71.139 1.00 0.00 C ATOM 1414 SD MET A 97 55.657 114.276 70.853 1.00 0.00 S ATOM 1415 CE MET A 97 55.048 114.008 72.537 1.00 0.00 C ATOM 0 H MET A 97 58.981 111.293 69.394 1.00 0.00 H new ATOM 0 HA MET A 97 59.414 112.317 72.210 1.00 0.00 H new ATOM 0 HB2 MET A 97 56.892 111.716 70.538 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.838 111.973 72.271 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.776 114.254 72.006 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.986 114.001 70.284 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.007 113.687 72.501 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.648 113.239 73.023 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.121 114.937 73.103 1.00 0.00 H new ATOM 1425 N GLN A 98 59.559 110.015 73.020 1.00 0.00 N ATOM 1426 CA GLN A 98 59.628 108.623 73.558 1.00 0.00 C ATOM 1427 C GLN A 98 59.203 108.660 75.027 1.00 0.00 C ATOM 1428 O GLN A 98 59.370 109.671 75.687 1.00 0.00 O ATOM 1429 CB GLN A 98 61.099 108.223 73.435 1.00 0.00 C ATOM 1430 CG GLN A 98 61.264 106.753 73.828 1.00 0.00 C ATOM 1431 CD GLN A 98 62.735 106.353 73.706 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.606 107.039 74.202 1.00 0.00 O ATOM 1433 NE2 GLN A 98 63.051 105.263 73.061 1.00 0.00 N ATOM 0 H GLN A 98 60.079 110.706 73.560 1.00 0.00 H new ATOM 0 HA GLN A 98 58.982 107.920 73.032 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.445 108.378 72.413 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.713 108.853 74.078 1.00 0.00 H new ATOM 0 HG2 GLN A 98 60.918 106.598 74.850 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.650 106.123 73.184 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.320 104.687 72.644 1.00 0.00 H new ATOM 0 HE22 GLN A 98 64.029 104.988 72.974 1.00 0.00 H new ATOM 1442 N GLY A 99 58.644 107.593 75.552 1.00 29.62 N ATOM 1443 CA GLY A 99 58.209 107.633 76.986 1.00 28.62 C ATOM 1444 C GLY A 99 57.979 106.225 77.526 1.00 28.62 C ATOM 1445 O GLY A 99 58.109 105.245 76.820 1.00 29.22 O ATOM 0 H GLY A 99 58.473 106.715 75.062 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.967 108.137 77.586 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.292 108.215 77.076 1.00 28.62 H new ATOM 1449 N HIS A 100 57.637 106.125 78.788 1.00 0.00 N ATOM 1450 CA HIS A 100 57.389 104.788 79.397 1.00 0.00 C ATOM 1451 C HIS A 100 56.125 104.830 80.268 1.00 0.00 C ATOM 1452 O HIS A 100 55.711 105.875 80.730 1.00 0.00 O ATOM 1453 CB HIS A 100 58.624 104.497 80.252 1.00 0.00 C ATOM 1454 CG HIS A 100 59.829 104.337 79.367 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.426 105.413 78.728 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.565 103.234 79.011 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.471 104.938 78.026 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.601 103.616 78.164 1.00 0.00 N ATOM 0 H HIS A 100 57.520 106.916 79.421 1.00 0.00 H new ATOM 0 HA HIS A 100 57.231 104.016 78.644 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.787 105.309 80.961 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.468 103.590 80.837 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.370 102.224 79.338 1.00 0.00 H new ATOM 0 HE1 HIS A 100 62.125 105.551 77.424 1.00 0.00 H new ATOM 0 HE2 HIS A 100 62.308 103.015 77.740 1.00 0.00 H new ATOM 1466 N TYR A 101 55.518 103.693 80.486 1.00 25.77 N ATOM 1467 CA TYR A 101 54.278 103.637 81.322 1.00 25.79 C ATOM 1468 C TYR A 101 54.541 102.825 82.591 1.00 26.52 C ATOM 1469 O TYR A 101 54.982 101.696 82.519 1.00 27.05 O ATOM 1470 CB TYR A 101 53.236 102.917 80.456 1.00 24.67 C ATOM 1471 CG TYR A 101 52.535 103.881 79.519 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.096 105.136 79.973 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.314 103.507 78.188 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.438 106.007 79.095 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.658 104.380 77.311 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.219 105.628 77.765 1.00 23.58 C ATOM 1477 OH TYR A 101 50.568 106.485 76.903 1.00 25.91 O ATOM 0 H TYR A 101 55.829 102.793 80.119 1.00 25.77 H new ATOM 0 HA TYR A 101 53.946 104.630 81.625 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.722 102.132 79.876 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.501 102.431 81.097 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.266 105.429 80.999 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.650 102.543 77.837 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.099 106.971 79.444 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.491 104.090 76.284 1.00 24.17 H new ATOM 0 HH TYR A 101 49.777 106.857 77.347 1.00 25.91 H new ATOM 1487 N ASP A 102 54.237 103.358 83.750 1.00 0.00 N ATOM 1488 CA ASP A 102 54.435 102.571 85.002 1.00 0.00 C ATOM 1489 C ASP A 102 53.213 101.674 85.211 1.00 0.00 C ATOM 1490 O ASP A 102 52.089 102.134 85.282 1.00 0.00 O ATOM 1491 CB ASP A 102 54.578 103.595 86.128 1.00 0.00 C ATOM 1492 CG ASP A 102 55.022 102.888 87.410 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.221 102.156 87.967 1.00 0.00 O ATOM 1494 OD2 ASP A 102 56.156 103.090 87.813 1.00 0.00 O ATOM 0 H ASP A 102 53.863 104.298 83.880 1.00 0.00 H new ATOM 0 HA ASP A 102 55.315 101.929 84.966 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.306 104.357 85.850 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.629 104.105 86.292 1.00 0.00 H new ATOM 1499 N MET A 103 53.440 100.390 85.287 1.00 0.00 N ATOM 1500 CA MET A 103 52.319 99.423 85.466 1.00 0.00 C ATOM 1501 C MET A 103 52.543 98.556 86.706 1.00 0.00 C ATOM 1502 O MET A 103 53.646 98.447 87.211 1.00 0.00 O ATOM 1503 CB MET A 103 52.357 98.562 84.206 1.00 0.00 C ATOM 1504 CG MET A 103 51.105 97.689 84.145 1.00 0.00 C ATOM 1505 SD MET A 103 51.106 96.743 82.604 1.00 0.00 S ATOM 1506 CE MET A 103 50.581 98.088 81.513 1.00 0.00 C ATOM 0 H MET A 103 54.366 99.965 85.232 1.00 0.00 H new ATOM 0 HA MET A 103 51.361 99.924 85.606 1.00 0.00 H new ATOM 0 HB2 MET A 103 52.414 99.196 83.321 1.00 0.00 H new ATOM 0 HB3 MET A 103 53.249 97.936 84.208 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.078 97.013 85.000 1.00 0.00 H new ATOM 0 HG3 MET A 103 50.212 98.311 84.202 1.00 0.00 H new ATOM 0 HE1 MET A 103 49.714 97.770 80.935 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.318 98.960 82.111 1.00 0.00 H new ATOM 0 HE3 MET A 103 51.395 98.345 80.835 1.00 0.00 H new ATOM 1516 N VAL A 104 51.498 97.937 87.194 1.00 21.01 N ATOM 1517 CA VAL A 104 51.632 97.067 88.403 1.00 21.69 C ATOM 1518 C VAL A 104 50.780 95.804 88.242 1.00 22.60 C ATOM 1519 O VAL A 104 49.607 95.875 87.924 1.00 22.32 O ATOM 1520 CB VAL A 104 51.113 97.903 89.586 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.125 98.999 89.921 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.755 98.538 89.247 1.00 23.28 C ATOM 0 H VAL A 104 50.556 97.996 86.807 1.00 21.01 H new ATOM 0 HA VAL A 104 52.664 96.751 88.555 1.00 21.69 H new ATOM 0 HB VAL A 104 50.984 97.247 90.447 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.757 99.591 90.759 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.078 98.544 90.189 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.262 99.645 89.054 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.406 99.125 90.096 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.864 99.187 88.378 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.031 97.753 89.026 1.00 23.28 H new ATOM 1532 N ALA A 105 51.357 94.654 88.472 1.00 0.00 N ATOM 1533 CA ALA A 105 50.582 93.381 88.348 1.00 0.00 C ATOM 1534 C ALA A 105 49.656 93.218 89.555 1.00 0.00 C ATOM 1535 O ALA A 105 49.786 93.917 90.542 1.00 0.00 O ATOM 1536 CB ALA A 105 51.636 92.272 88.329 1.00 0.00 C ATOM 0 H ALA A 105 52.334 94.540 88.741 1.00 0.00 H new ATOM 0 HA ALA A 105 49.957 93.360 87.455 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.144 91.304 88.240 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.304 92.419 87.480 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.212 92.302 89.254 1.00 0.00 H new ATOM 1542 N ASP A 106 48.715 92.309 89.476 1.00 0.00 N ATOM 1543 CA ASP A 106 47.771 92.110 90.621 1.00 0.00 C ATOM 1544 C ASP A 106 48.521 91.589 91.851 1.00 0.00 C ATOM 1545 O ASP A 106 48.146 91.864 92.975 1.00 0.00 O ATOM 1546 CB ASP A 106 46.759 91.071 90.132 1.00 0.00 C ATOM 1547 CG ASP A 106 45.605 90.968 91.133 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.853 91.139 92.315 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.492 90.718 90.698 1.00 0.00 O ATOM 0 H ASP A 106 48.560 91.699 88.673 1.00 0.00 H new ATOM 0 HA ASP A 106 47.289 93.042 90.917 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.378 91.353 89.150 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.244 90.101 90.019 1.00 0.00 H new ATOM 1554 N ASP A 107 49.572 90.834 91.647 1.00 0.00 N ATOM 1555 CA ASP A 107 50.341 90.286 92.809 1.00 0.00 C ATOM 1556 C ASP A 107 51.192 91.376 93.478 1.00 0.00 C ATOM 1557 O ASP A 107 51.770 91.155 94.526 1.00 0.00 O ATOM 1558 CB ASP A 107 51.234 89.188 92.217 1.00 0.00 C ATOM 1559 CG ASP A 107 52.177 89.772 91.153 1.00 0.00 C ATOM 1560 OD1 ASP A 107 52.023 90.935 90.812 1.00 0.00 O ATOM 1561 OD2 ASP A 107 53.040 89.042 90.698 1.00 0.00 O ATOM 0 H ASP A 107 49.931 90.573 90.728 1.00 0.00 H new ATOM 0 HA ASP A 107 49.677 89.902 93.584 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.817 88.719 93.010 1.00 0.00 H new ATOM 0 HB3 ASP A 107 50.615 88.408 91.773 1.00 0.00 H new ATOM 1566 N GLY A 108 51.269 92.549 92.892 1.00 30.43 N ATOM 1567 CA GLY A 108 52.076 93.642 93.509 1.00 29.11 C ATOM 1568 C GLY A 108 53.415 93.805 92.777 1.00 29.35 C ATOM 1569 O GLY A 108 54.142 94.750 93.022 1.00 30.17 O ATOM 0 H GLY A 108 50.808 92.792 92.015 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.519 94.578 93.472 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.255 93.419 94.561 1.00 29.11 H new ATOM 1573 N THR A 109 53.757 92.899 91.884 1.00 0.00 N ATOM 1574 CA THR A 109 55.060 93.024 91.152 1.00 0.00 C ATOM 1575 C THR A 109 55.119 94.368 90.415 1.00 0.00 C ATOM 1576 O THR A 109 54.162 94.771 89.780 1.00 0.00 O ATOM 1577 CB THR A 109 55.074 91.864 90.153 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.940 90.637 90.856 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.394 91.866 89.377 1.00 0.00 C ATOM 0 H THR A 109 53.194 92.086 91.634 1.00 0.00 H new ATOM 0 HA THR A 109 55.917 92.987 91.825 1.00 0.00 H new ATOM 0 HB THR A 109 54.246 91.978 89.454 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.472 89.986 90.292 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.400 91.039 88.667 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.498 92.808 88.838 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.225 91.753 90.073 1.00 0.00 H new ATOM 1587 N GLU A 110 56.224 95.066 90.502 1.00 0.00 N ATOM 1588 CA GLU A 110 56.325 96.387 89.810 1.00 0.00 C ATOM 1589 C GLU A 110 57.131 96.265 88.512 1.00 0.00 C ATOM 1590 O GLU A 110 58.119 95.559 88.442 1.00 0.00 O ATOM 1591 CB GLU A 110 57.020 97.325 90.806 1.00 0.00 C ATOM 1592 CG GLU A 110 58.403 96.780 91.177 1.00 0.00 C ATOM 1593 CD GLU A 110 59.204 97.870 91.890 1.00 0.00 C ATOM 1594 OE1 GLU A 110 59.265 98.971 91.365 1.00 0.00 O ATOM 1595 OE2 GLU A 110 59.744 97.587 92.946 1.00 0.00 O ATOM 0 H GLU A 110 57.056 94.780 91.019 1.00 0.00 H new ATOM 0 HA GLU A 110 55.344 96.766 89.524 1.00 0.00 H new ATOM 0 HB2 GLU A 110 57.119 98.319 90.371 1.00 0.00 H new ATOM 0 HB3 GLU A 110 56.410 97.429 91.704 1.00 0.00 H new ATOM 0 HG2 GLU A 110 58.301 95.907 91.822 1.00 0.00 H new ATOM 0 HG3 GLU A 110 58.930 96.454 90.280 1.00 0.00 H new ATOM 1602 N PHE A 111 56.706 96.954 87.486 1.00 27.41 N ATOM 1603 CA PHE A 111 57.427 96.905 86.180 1.00 27.50 C ATOM 1604 C PHE A 111 56.897 98.004 85.251 1.00 28.03 C ATOM 1605 O PHE A 111 55.733 98.355 85.288 1.00 27.72 O ATOM 1606 CB PHE A 111 57.170 95.497 85.616 1.00 26.12 C ATOM 1607 CG PHE A 111 55.712 95.322 85.249 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.796 94.878 86.208 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.282 95.599 83.945 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.449 94.713 85.865 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.935 95.433 83.602 1.00 24.17 C ATOM 1612 CZ PHE A 111 53.019 94.989 84.562 1.00 23.73 C ATOM 0 H PHE A 111 55.882 97.555 87.497 1.00 27.41 H new ATOM 0 HA PHE A 111 58.497 97.083 86.285 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.793 95.333 84.737 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.456 94.747 86.353 1.00 26.12 H new ATOM 0 HD1 PHE A 111 55.128 94.663 87.213 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.990 95.941 83.204 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.741 94.373 86.606 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.603 95.648 82.597 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.980 94.859 84.297 1.00 23.73 H new ATOM 1622 N ILE A 112 57.755 98.556 84.435 1.00 0.00 N ATOM 1623 CA ILE A 112 57.329 99.649 83.511 1.00 0.00 C ATOM 1624 C ILE A 112 57.115 99.106 82.093 1.00 0.00 C ATOM 1625 O ILE A 112 57.665 98.088 81.714 1.00 0.00 O ATOM 1626 CB ILE A 112 58.482 100.660 83.534 1.00 0.00 C ATOM 1627 CG1 ILE A 112 58.686 101.172 84.963 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.149 101.844 82.622 1.00 0.00 C ATOM 1629 CD1 ILE A 112 59.982 101.983 85.035 1.00 0.00 C ATOM 0 H ILE A 112 58.739 98.295 84.368 1.00 0.00 H new ATOM 0 HA ILE A 112 56.384 100.098 83.817 1.00 0.00 H new ATOM 0 HB ILE A 112 59.392 100.172 83.183 1.00 0.00 H new ATOM 0 HG12 ILE A 112 57.840 101.791 85.263 1.00 0.00 H new ATOM 0 HG13 ILE A 112 58.730 100.334 85.658 1.00 0.00 H new ATOM 0 HG21 ILE A 112 58.970 102.560 82.641 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.002 101.488 81.602 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.237 102.328 82.972 1.00 0.00 H new ATOM 0 HD11 ILE A 112 60.127 102.347 86.052 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.823 101.350 84.753 1.00 0.00 H new ATOM 0 HD13 ILE A 112 59.920 102.830 84.352 1.00 0.00 H new ATOM 1641 N ALA A 113 56.334 99.799 81.307 1.00 0.00 N ATOM 1642 CA ALA A 113 56.084 99.369 79.904 1.00 0.00 C ATOM 1643 C ALA A 113 56.574 100.474 78.954 1.00 0.00 C ATOM 1644 O ALA A 113 55.887 101.456 78.746 1.00 0.00 O ATOM 1645 CB ALA A 113 54.568 99.193 79.800 1.00 0.00 C ATOM 0 H ALA A 113 55.854 100.655 81.583 1.00 0.00 H new ATOM 0 HA ALA A 113 56.604 98.448 79.639 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.307 98.876 78.790 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.240 98.438 80.514 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.076 100.140 80.021 1.00 0.00 H new ATOM 1651 N PRO A 114 57.763 100.285 78.426 1.00 31.26 N ATOM 1652 CA PRO A 114 58.324 101.327 77.516 1.00 32.26 C ATOM 1653 C PRO A 114 57.417 101.594 76.311 1.00 31.77 C ATOM 1654 O PRO A 114 56.812 100.706 75.744 1.00 33.24 O ATOM 1655 CB PRO A 114 59.660 100.748 77.061 1.00 32.64 C ATOM 1656 CG PRO A 114 59.504 99.274 77.206 1.00 33.31 C ATOM 1657 CD PRO A 114 58.579 99.056 78.369 1.00 32.61 C ATOM 0 HA PRO A 114 58.422 102.288 78.022 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.880 101.023 76.029 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.482 101.121 77.672 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.093 98.836 76.296 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.468 98.797 77.382 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.957 98.173 78.222 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.134 98.904 79.295 1.00 32.61 H new ATOM 1665 N ILE A 115 57.354 102.841 75.922 1.00 30.59 N ATOM 1666 CA ILE A 115 56.526 103.251 74.749 1.00 30.04 C ATOM 1667 C ILE A 115 57.458 103.637 73.601 1.00 30.45 C ATOM 1668 O ILE A 115 58.317 104.493 73.746 1.00 30.15 O ATOM 1669 CB ILE A 115 55.718 104.470 75.211 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.896 104.119 76.457 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.770 104.899 74.091 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.466 105.408 77.161 1.00 28.50 C ATOM 0 H ILE A 115 57.851 103.607 76.377 1.00 30.59 H new ATOM 0 HA ILE A 115 55.868 102.454 74.403 1.00 30.04 H new ATOM 0 HB ILE A 115 56.405 105.281 75.453 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.019 103.535 76.176 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.486 103.501 77.134 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.193 105.765 74.415 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.348 105.159 73.204 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.092 104.079 73.855 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.881 105.161 78.047 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.350 105.974 77.455 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.860 106.008 76.482 1.00 28.50 H new ATOM 1684 N ALA A 116 57.292 103.009 72.462 1.00 30.78 N ATOM 1685 CA ALA A 116 58.165 103.310 71.281 1.00 29.78 C ATOM 1686 C ALA A 116 58.228 104.815 71.006 1.00 29.57 C ATOM 1687 O ALA A 116 57.291 105.543 71.276 1.00 28.51 O ATOM 1688 CB ALA A 116 57.503 102.590 70.105 1.00 27.76 C ATOM 0 H ALA A 116 56.583 102.294 72.298 1.00 30.78 H new ATOM 0 HA ALA A 116 59.191 102.982 71.450 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.084 102.762 69.199 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.460 101.520 70.311 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.492 102.974 69.966 1.00 27.76 H new ATOM 1694 N ALA A 117 59.326 105.280 70.470 1.00 0.00 N ATOM 1695 CA ALA A 117 59.460 106.732 70.171 1.00 0.00 C ATOM 1696 C ALA A 117 59.027 107.013 68.731 1.00 0.00 C ATOM 1697 O ALA A 117 59.549 106.438 67.794 1.00 0.00 O ATOM 1698 CB ALA A 117 60.946 107.038 70.354 1.00 0.00 C ATOM 0 H ALA A 117 60.138 104.712 70.226 1.00 0.00 H new ATOM 0 HA ALA A 117 58.836 107.348 70.818 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.128 108.093 70.151 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.241 106.809 71.378 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.530 106.430 69.664 1.00 0.00 H new ATOM 1704 N PHE A 118 58.088 107.902 68.552 1.00 29.64 N ATOM 1705 CA PHE A 118 57.621 108.244 67.176 1.00 29.08 C ATOM 1706 C PHE A 118 58.109 109.649 66.818 1.00 30.66 C ATOM 1707 O PHE A 118 58.523 110.402 67.680 1.00 30.55 O ATOM 1708 CB PHE A 118 56.087 108.180 67.226 1.00 25.73 C ATOM 1709 CG PHE A 118 55.551 109.137 68.268 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.349 110.482 67.943 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.254 108.675 69.556 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.849 111.368 68.906 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.754 109.560 70.519 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.552 110.907 70.194 1.00 21.66 C ATOM 0 H PHE A 118 57.621 108.409 69.304 1.00 29.64 H new ATOM 0 HA PHE A 118 58.007 107.562 66.418 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.675 108.429 66.248 1.00 25.73 H new ATOM 0 HB3 PHE A 118 55.767 107.164 67.458 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.579 110.838 66.949 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.411 107.636 69.807 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.693 112.407 68.655 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.524 109.204 71.512 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.167 111.590 70.937 1.00 21.66 H new ATOM 1724 N VAL A 119 58.069 110.010 65.560 1.00 0.00 N ATOM 1725 CA VAL A 119 58.537 111.370 65.160 1.00 0.00 C ATOM 1726 C VAL A 119 57.377 112.189 64.586 1.00 0.00 C ATOM 1727 O VAL A 119 56.409 111.650 64.083 1.00 0.00 O ATOM 1728 CB VAL A 119 59.623 111.124 64.102 1.00 0.00 C ATOM 1729 CG1 VAL A 119 59.033 110.361 62.912 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.183 112.465 63.621 1.00 0.00 C ATOM 0 H VAL A 119 57.734 109.423 64.796 1.00 0.00 H new ATOM 0 HA VAL A 119 58.923 111.940 66.005 1.00 0.00 H new ATOM 0 HB VAL A 119 60.423 110.531 64.545 1.00 0.00 H new ATOM 0 HG11 VAL A 119 59.810 110.191 62.167 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.641 109.403 63.252 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.227 110.946 62.468 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.954 112.289 62.870 1.00 0.00 H new ATOM 0 HG22 VAL A 119 59.380 113.059 63.185 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.615 113.003 64.465 1.00 0.00 H new ATOM 1740 N LEU A 120 57.482 113.488 64.654 1.00 36.62 N ATOM 1741 CA LEU A 120 56.406 114.368 64.114 1.00 37.66 C ATOM 1742 C LEU A 120 56.933 115.117 62.892 1.00 38.64 C ATOM 1743 O LEU A 120 58.020 115.662 62.915 1.00 37.83 O ATOM 1744 CB LEU A 120 56.062 115.357 65.237 1.00 38.14 C ATOM 1745 CG LEU A 120 55.321 114.643 66.377 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.286 113.745 67.158 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.722 115.689 67.321 1.00 37.30 C ATOM 0 H LEU A 120 58.274 113.982 65.064 1.00 36.62 H new ATOM 0 HA LEU A 120 55.527 113.800 63.808 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.975 115.814 65.619 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.443 116.163 64.842 1.00 38.14 H new ATOM 0 HG LEU A 120 54.528 114.025 65.955 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.747 113.245 67.963 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.711 112.998 66.488 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.087 114.352 67.580 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.195 115.187 68.132 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.520 116.306 67.734 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.024 116.319 66.770 1.00 37.30 H new ATOM 1759 N SER A 121 56.175 115.142 61.825 1.00 0.00 N ATOM 1760 CA SER A 121 56.628 115.852 60.591 1.00 0.00 C ATOM 1761 C SER A 121 55.417 116.324 59.781 1.00 0.00 C ATOM 1762 O SER A 121 54.756 117.280 60.135 1.00 0.00 O ATOM 1763 CB SER A 121 57.427 114.812 59.806 1.00 0.00 C ATOM 1764 OG SER A 121 58.165 115.464 58.782 1.00 0.00 O ATOM 0 H SER A 121 55.259 114.699 61.756 1.00 0.00 H new ATOM 0 HA SER A 121 57.224 116.736 60.817 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.103 114.276 60.473 1.00 0.00 H new ATOM 0 HB3 SER A 121 56.755 114.072 59.371 1.00 0.00 H new ATOM 0 HG SER A 121 58.680 114.801 58.277 1.00 0.00 H new TER 1770 SER A 121