USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 484 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 72 HIS : no HE2:sc= -0.881 K(o=-3,f=-6.1!) USER MOD Set 1.2: A 74 ASN : amide:sc= -2.09 K(o=-3,f=-6.5!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 76 ASN : amide:sc= -3.89! C(o=-3.9!,f=-13!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0633 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 30:sc= -0.76 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 4:sc= 1.18 USER MOD Single : A 103 TYR OH : rot 180:sc=-0.00145 USER MOD Single : A 108 ASN : amide:sc= -2.3 K(o=-2.3,f=-7.4!) USER MOD Single : A 109 SER OG : rot -91:sc= 0.75 USER MOD Single : A 111 THR OG1 : rot -155:sc= -1.77! USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 115 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 41:sc= 0.412 USER MOD Single : A 126 SER OG : rot 180:sc= -0.469 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 68 68.846 23.027 123.130 1.00 0.00 N ATOM 2 CA GLU A 68 67.748 22.264 122.499 1.00 0.00 C ATOM 3 C GLU A 68 66.512 23.074 122.748 1.00 0.00 C ATOM 4 O GLU A 68 66.600 24.220 123.186 1.00 0.00 O ATOM 5 CB GLU A 68 67.671 20.872 123.170 1.00 0.00 C ATOM 6 CG GLU A 68 67.057 19.749 122.328 1.00 0.00 C ATOM 7 CD GLU A 68 65.566 19.679 122.609 1.00 0.00 C ATOM 8 OE1 GLU A 68 65.166 20.015 123.756 1.00 0.00 O ATOM 9 OE2 GLU A 68 64.808 19.285 121.684 1.00 0.00 O ATOM 0 HA GLU A 68 67.885 22.101 121.430 1.00 0.00 H new ATOM 0 HB2 GLU A 68 68.679 20.573 123.456 1.00 0.00 H new ATOM 0 HB3 GLU A 68 67.093 20.966 124.089 1.00 0.00 H new ATOM 0 HG2 GLU A 68 67.232 19.934 121.268 1.00 0.00 H new ATOM 0 HG3 GLU A 68 67.530 18.797 122.568 1.00 0.00 H new ATOM 15 N GLY A 69 65.316 22.540 122.451 1.00 0.00 N ATOM 16 CA GLY A 69 64.177 23.353 122.761 1.00 0.00 C ATOM 17 C GLY A 69 63.103 23.105 121.759 1.00 0.00 C ATOM 18 O GLY A 69 63.348 22.574 120.676 1.00 0.00 O ATOM 0 H GLY A 69 65.138 21.627 122.033 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.815 23.123 123.763 1.00 0.00 H new ATOM 0 HA3 GLY A 69 64.457 24.406 122.757 1.00 0.00 H new ATOM 22 N GLY A 70 61.865 23.507 122.111 1.00 0.00 N ATOM 23 CA GLY A 70 60.741 23.304 121.249 1.00 0.00 C ATOM 24 C GLY A 70 60.431 24.577 120.554 1.00 0.00 C ATOM 25 O GLY A 70 61.272 25.465 120.437 1.00 0.00 O ATOM 0 H GLY A 70 61.644 23.972 122.992 1.00 0.00 H new ATOM 0 HA2 GLY A 70 60.960 22.522 120.522 1.00 0.00 H new ATOM 0 HA3 GLY A 70 59.879 22.970 121.826 1.00 0.00 H new ATOM 29 N GLN A 71 59.179 24.677 120.069 1.00 0.00 N ATOM 30 CA GLN A 71 58.705 25.902 119.508 1.00 0.00 C ATOM 31 C GLN A 71 58.582 26.820 120.678 1.00 0.00 C ATOM 32 O GLN A 71 58.849 26.418 121.809 1.00 0.00 O ATOM 33 CB GLN A 71 57.321 25.823 118.828 1.00 0.00 C ATOM 34 CG GLN A 71 57.342 25.364 117.368 1.00 0.00 C ATOM 35 CD GLN A 71 57.488 26.605 116.491 1.00 0.00 C ATOM 36 OE1 GLN A 71 58.434 27.378 116.633 1.00 0.00 O ATOM 37 NE2 GLN A 71 56.516 26.807 115.560 1.00 0.00 N ATOM 0 H GLN A 71 58.501 23.915 120.066 1.00 0.00 H new ATOM 0 HA GLN A 71 59.394 26.215 118.724 1.00 0.00 H new ATOM 0 HB2 GLN A 71 56.691 25.140 119.399 1.00 0.00 H new ATOM 0 HB3 GLN A 71 56.852 26.806 118.877 1.00 0.00 H new ATOM 0 HG2 GLN A 71 58.169 24.675 117.196 1.00 0.00 H new ATOM 0 HG3 GLN A 71 56.425 24.829 117.123 1.00 0.00 H new ATOM 0 HE21 GLN A 71 55.747 26.142 115.473 1.00 0.00 H new ATOM 0 HE22 GLN A 71 56.557 27.623 114.949 1.00 0.00 H new ATOM 46 N HIS A 72 58.212 28.086 120.411 1.00 0.00 N ATOM 47 CA HIS A 72 58.094 29.171 121.347 1.00 0.00 C ATOM 48 C HIS A 72 56.848 29.059 122.188 1.00 0.00 C ATOM 49 O HIS A 72 55.924 28.325 121.841 1.00 0.00 O ATOM 50 CB HIS A 72 58.075 30.520 120.607 1.00 0.00 C ATOM 51 CG HIS A 72 57.746 31.717 121.442 1.00 0.00 C ATOM 52 ND1 HIS A 72 58.536 32.552 122.173 1.00 0.00 N ATOM 53 CD2 HIS A 72 56.465 32.208 121.572 1.00 0.00 C ATOM 54 CE1 HIS A 72 57.781 33.554 122.752 1.00 0.00 C ATOM 55 NE2 HIS A 72 56.543 33.306 122.363 1.00 0.00 N ATOM 0 H HIS A 72 57.975 28.377 119.462 1.00 0.00 H new ATOM 0 HA HIS A 72 58.961 29.116 122.005 1.00 0.00 H new ATOM 0 HB2 HIS A 72 59.053 30.676 120.151 1.00 0.00 H new ATOM 0 HB3 HIS A 72 57.351 30.457 119.795 1.00 0.00 H new ATOM 0 HD1 HIS A 72 59.546 32.451 122.278 1.00 0.00 H new ATOM 0 HD2 HIS A 72 55.570 31.797 121.129 1.00 0.00 H new ATOM 0 HE1 HIS A 72 58.126 34.360 123.382 1.00 0.00 H new ATOM 63 N LEU A 73 56.846 29.745 123.363 1.00 0.00 N ATOM 64 CA LEU A 73 55.720 29.819 124.273 1.00 0.00 C ATOM 65 C LEU A 73 55.828 31.084 125.101 1.00 0.00 C ATOM 66 O LEU A 73 56.814 31.294 125.808 1.00 0.00 O ATOM 67 CB LEU A 73 55.659 28.651 125.270 1.00 0.00 C ATOM 68 CG LEU A 73 54.469 28.721 126.247 1.00 0.00 C ATOM 69 CD1 LEU A 73 53.127 28.636 125.509 1.00 0.00 C ATOM 70 CD2 LEU A 73 54.598 27.673 127.365 1.00 0.00 C ATOM 0 H LEU A 73 57.658 30.267 123.692 1.00 0.00 H new ATOM 0 HA LEU A 73 54.828 29.793 123.647 1.00 0.00 H new ATOM 0 HB2 LEU A 73 55.605 27.715 124.714 1.00 0.00 H new ATOM 0 HB3 LEU A 73 56.586 28.628 125.844 1.00 0.00 H new ATOM 0 HG LEU A 73 54.493 29.697 126.731 1.00 0.00 H new ATOM 0 HD11 LEU A 73 52.311 28.689 126.230 1.00 0.00 H new ATOM 0 HD12 LEU A 73 53.045 29.466 124.807 1.00 0.00 H new ATOM 0 HD13 LEU A 73 53.070 27.693 124.965 1.00 0.00 H new ATOM 0 HD21 LEU A 73 53.743 27.750 128.036 1.00 0.00 H new ATOM 0 HD22 LEU A 73 54.627 26.675 126.927 1.00 0.00 H new ATOM 0 HD23 LEU A 73 55.516 27.850 127.925 1.00 0.00 H new ATOM 82 N ASN A 74 54.823 31.987 125.027 1.00 0.00 N ATOM 83 CA ASN A 74 54.879 33.214 125.791 1.00 0.00 C ATOM 84 C ASN A 74 54.703 33.014 127.277 1.00 0.00 C ATOM 85 O ASN A 74 55.598 33.273 128.069 1.00 0.00 O ATOM 86 CB ASN A 74 53.829 34.250 125.346 1.00 0.00 C ATOM 87 CG ASN A 74 54.367 34.984 124.127 1.00 0.00 C ATOM 88 OD1 ASN A 74 55.448 35.569 124.175 1.00 0.00 O ATOM 89 ND2 ASN A 74 53.602 34.958 123.003 1.00 0.00 N ATOM 0 H ASN A 74 53.987 31.876 124.453 1.00 0.00 H new ATOM 0 HA ASN A 74 55.884 33.584 125.590 1.00 0.00 H new ATOM 0 HB2 ASN A 74 52.887 33.757 125.107 1.00 0.00 H new ATOM 0 HB3 ASN A 74 53.624 34.954 126.153 1.00 0.00 H new ATOM 0 HD21 ASN A 74 53.919 35.435 122.159 1.00 0.00 H new ATOM 0 HD22 ASN A 74 52.711 34.461 123.004 1.00 0.00 H new ATOM 96 N VAL A 75 53.555 32.465 127.694 1.00 0.00 N ATOM 97 CA VAL A 75 53.116 32.279 129.052 1.00 0.00 C ATOM 98 C VAL A 75 52.988 33.525 129.865 1.00 0.00 C ATOM 99 O VAL A 75 53.929 34.258 130.170 1.00 0.00 O ATOM 100 CB VAL A 75 53.737 31.165 129.869 1.00 0.00 C ATOM 101 CG1 VAL A 75 53.189 29.843 129.325 1.00 0.00 C ATOM 102 CG2 VAL A 75 55.271 31.242 129.864 1.00 0.00 C ATOM 0 H VAL A 75 52.867 32.118 127.026 1.00 0.00 H new ATOM 0 HA VAL A 75 52.113 31.915 128.828 1.00 0.00 H new ATOM 0 HB VAL A 75 53.467 31.256 130.921 1.00 0.00 H new ATOM 0 HG11 VAL A 75 53.614 29.013 129.889 1.00 0.00 H new ATOM 0 HG12 VAL A 75 52.104 29.831 129.424 1.00 0.00 H new ATOM 0 HG13 VAL A 75 53.459 29.743 128.274 1.00 0.00 H new ATOM 0 HG21 VAL A 75 55.678 30.426 130.461 1.00 0.00 H new ATOM 0 HG22 VAL A 75 55.636 31.160 128.840 1.00 0.00 H new ATOM 0 HG23 VAL A 75 55.589 32.195 130.287 1.00 0.00 H new ATOM 112 N ASN A 76 51.720 33.772 130.242 1.00 0.00 N ATOM 113 CA ASN A 76 51.323 34.832 131.112 1.00 0.00 C ATOM 114 C ASN A 76 50.486 34.191 132.164 1.00 0.00 C ATOM 115 O ASN A 76 49.611 33.377 131.870 1.00 0.00 O ATOM 116 CB ASN A 76 50.482 35.938 130.443 1.00 0.00 C ATOM 117 CG ASN A 76 51.418 36.917 129.743 1.00 0.00 C ATOM 118 OD1 ASN A 76 51.746 36.768 128.566 1.00 0.00 O ATOM 119 ND2 ASN A 76 51.856 37.964 130.492 1.00 0.00 N ATOM 0 H ASN A 76 50.935 33.204 129.924 1.00 0.00 H new ATOM 0 HA ASN A 76 52.223 35.327 131.478 1.00 0.00 H new ATOM 0 HB2 ASN A 76 49.788 35.501 129.725 1.00 0.00 H new ATOM 0 HB3 ASN A 76 49.882 36.459 131.189 1.00 0.00 H new ATOM 0 HD21 ASN A 76 52.478 38.660 130.081 1.00 0.00 H new ATOM 0 HD22 ASN A 76 51.562 38.054 131.465 1.00 0.00 H new ATOM 126 N VAL A 77 50.775 34.508 133.435 1.00 0.00 N ATOM 127 CA VAL A 77 49.956 33.977 134.482 1.00 0.00 C ATOM 128 C VAL A 77 49.247 35.146 135.074 1.00 0.00 C ATOM 129 O VAL A 77 49.830 35.923 135.830 1.00 0.00 O ATOM 130 CB VAL A 77 50.729 33.285 135.563 1.00 0.00 C ATOM 131 CG1 VAL A 77 49.750 32.802 136.646 1.00 0.00 C ATOM 132 CG2 VAL A 77 51.527 32.145 134.905 1.00 0.00 C ATOM 0 H VAL A 77 51.544 35.108 133.734 1.00 0.00 H new ATOM 0 HA VAL A 77 49.291 33.223 134.061 1.00 0.00 H new ATOM 0 HB VAL A 77 51.438 33.948 136.060 1.00 0.00 H new ATOM 0 HG11 VAL A 77 50.303 32.297 137.438 1.00 0.00 H new ATOM 0 HG12 VAL A 77 49.219 33.657 137.064 1.00 0.00 H new ATOM 0 HG13 VAL A 77 49.033 32.109 136.205 1.00 0.00 H new ATOM 0 HG21 VAL A 77 52.103 31.618 135.666 1.00 0.00 H new ATOM 0 HG22 VAL A 77 50.839 31.449 134.425 1.00 0.00 H new ATOM 0 HG23 VAL A 77 52.205 32.559 134.158 1.00 0.00 H new ATOM 142 N LEU A 78 47.952 35.299 134.733 1.00 0.00 N ATOM 143 CA LEU A 78 47.204 36.416 135.227 1.00 0.00 C ATOM 144 C LEU A 78 45.760 36.035 135.349 1.00 0.00 C ATOM 145 O LEU A 78 45.360 34.909 135.048 1.00 0.00 O ATOM 146 CB LEU A 78 47.239 37.638 134.282 1.00 0.00 C ATOM 147 CG LEU A 78 48.631 38.279 134.099 1.00 0.00 C ATOM 148 CD1 LEU A 78 48.576 39.483 133.142 1.00 0.00 C ATOM 149 CD2 LEU A 78 49.253 38.648 135.455 1.00 0.00 C ATOM 0 H LEU A 78 47.432 34.664 134.128 1.00 0.00 H new ATOM 0 HA LEU A 78 47.660 36.681 136.181 1.00 0.00 H new ATOM 0 HB2 LEU A 78 46.864 37.334 133.305 1.00 0.00 H new ATOM 0 HB3 LEU A 78 46.554 38.395 134.665 1.00 0.00 H new ATOM 0 HG LEU A 78 49.282 37.537 133.636 1.00 0.00 H new ATOM 0 HD11 LEU A 78 49.573 39.910 133.036 1.00 0.00 H new ATOM 0 HD12 LEU A 78 48.216 39.156 132.166 1.00 0.00 H new ATOM 0 HD13 LEU A 78 47.900 40.237 133.544 1.00 0.00 H new ATOM 0 HD21 LEU A 78 50.233 39.098 135.295 1.00 0.00 H new ATOM 0 HD22 LEU A 78 48.607 39.359 135.970 1.00 0.00 H new ATOM 0 HD23 LEU A 78 49.361 37.749 136.063 1.00 0.00 H new ATOM 161 N ARG A 79 44.954 37.000 135.829 1.00 0.00 N ATOM 162 CA ARG A 79 43.532 36.881 135.977 1.00 0.00 C ATOM 163 C ARG A 79 42.936 37.934 135.092 1.00 0.00 C ATOM 164 O ARG A 79 43.440 39.054 135.002 1.00 0.00 O ATOM 165 CB ARG A 79 43.065 37.164 137.416 1.00 0.00 C ATOM 166 CG ARG A 79 41.557 37.049 137.634 1.00 0.00 C ATOM 167 CD ARG A 79 41.151 37.141 139.107 1.00 0.00 C ATOM 168 NE ARG A 79 41.771 35.974 139.797 1.00 0.00 N ATOM 169 CZ ARG A 79 41.083 35.296 140.762 1.00 0.00 C ATOM 170 NH1 ARG A 79 39.843 35.719 141.141 1.00 0.00 N ATOM 171 NH2 ARG A 79 41.630 34.191 141.348 1.00 0.00 N ATOM 0 H ARG A 79 45.309 37.908 136.129 1.00 0.00 H new ATOM 0 HA ARG A 79 43.228 35.865 135.724 1.00 0.00 H new ATOM 0 HB2 ARG A 79 43.569 36.471 138.090 1.00 0.00 H new ATOM 0 HB3 ARG A 79 43.383 38.168 137.695 1.00 0.00 H new ATOM 0 HG2 ARG A 79 41.055 37.839 137.076 1.00 0.00 H new ATOM 0 HG3 ARG A 79 41.209 36.100 137.227 1.00 0.00 H new ATOM 0 HD2 ARG A 79 41.496 38.077 139.545 1.00 0.00 H new ATOM 0 HD3 ARG A 79 40.066 37.120 139.211 1.00 0.00 H new ATOM 0 HE ARG A 79 42.715 35.680 139.547 1.00 0.00 H new ATOM 0 HH11 ARG A 79 39.429 36.542 140.703 1.00 0.00 H new ATOM 0 HH12 ARG A 79 39.329 35.212 141.862 1.00 0.00 H new ATOM 0 HH21 ARG A 79 42.556 33.869 141.065 1.00 0.00 H new ATOM 0 HH22 ARG A 79 41.113 33.687 142.069 1.00 0.00 H new ATOM 185 N ARG A 80 41.828 37.592 134.419 1.00 0.00 N ATOM 186 CA ARG A 80 41.155 38.431 133.465 1.00 0.00 C ATOM 187 C ARG A 80 40.673 39.663 134.174 1.00 0.00 C ATOM 188 O ARG A 80 40.757 40.776 133.651 1.00 0.00 O ATOM 189 CB ARG A 80 39.953 37.656 132.906 1.00 0.00 C ATOM 190 CG ARG A 80 39.448 38.030 131.515 1.00 0.00 C ATOM 191 CD ARG A 80 38.509 36.936 130.995 1.00 0.00 C ATOM 192 NE ARG A 80 38.164 37.211 129.574 1.00 0.00 N ATOM 193 CZ ARG A 80 37.047 37.937 129.276 1.00 0.00 C ATOM 194 NH1 ARG A 80 36.315 38.499 130.281 1.00 0.00 N ATOM 195 NH2 ARG A 80 36.658 38.097 127.979 1.00 0.00 N ATOM 0 H ARG A 80 41.374 36.687 134.541 1.00 0.00 H new ATOM 0 HA ARG A 80 41.824 38.713 132.652 1.00 0.00 H new ATOM 0 HB2 ARG A 80 40.213 36.598 132.894 1.00 0.00 H new ATOM 0 HB3 ARG A 80 39.125 37.773 133.605 1.00 0.00 H new ATOM 0 HG2 ARG A 80 38.924 38.985 131.552 1.00 0.00 H new ATOM 0 HG3 ARG A 80 40.289 38.155 130.833 1.00 0.00 H new ATOM 0 HD2 ARG A 80 38.987 35.960 131.082 1.00 0.00 H new ATOM 0 HD3 ARG A 80 37.603 36.902 131.600 1.00 0.00 H new ATOM 0 HE ARG A 80 38.760 36.858 128.825 1.00 0.00 H new ATOM 0 HH11 ARG A 80 36.603 38.376 131.252 1.00 0.00 H new ATOM 0 HH12 ARG A 80 35.480 39.042 130.061 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.202 37.674 127.227 1.00 0.00 H new ATOM 0 HH22 ARG A 80 35.823 38.640 127.760 1.00 0.00 H new ATOM 209 N GLU A 81 40.170 39.480 135.411 1.00 0.00 N ATOM 210 CA GLU A 81 39.600 40.533 136.209 1.00 0.00 C ATOM 211 C GLU A 81 40.653 41.552 136.519 1.00 0.00 C ATOM 212 O GLU A 81 40.370 42.749 136.566 1.00 0.00 O ATOM 213 CB GLU A 81 39.011 40.004 137.533 1.00 0.00 C ATOM 214 CG GLU A 81 37.723 39.185 137.367 1.00 0.00 C ATOM 215 CD GLU A 81 38.024 37.928 136.553 1.00 0.00 C ATOM 216 OE1 GLU A 81 38.002 38.021 135.296 1.00 0.00 O ATOM 217 OE2 GLU A 81 38.275 36.859 137.171 1.00 0.00 O ATOM 0 H GLU A 81 40.158 38.571 135.874 1.00 0.00 H new ATOM 0 HA GLU A 81 38.790 40.979 135.632 1.00 0.00 H new ATOM 0 HB2 GLU A 81 39.759 39.386 138.029 1.00 0.00 H new ATOM 0 HB3 GLU A 81 38.808 40.849 138.191 1.00 0.00 H new ATOM 0 HG2 GLU A 81 37.324 38.912 138.344 1.00 0.00 H new ATOM 0 HG3 GLU A 81 36.961 39.782 136.866 1.00 0.00 H new ATOM 224 N THR A 82 41.903 41.110 136.734 1.00 0.00 N ATOM 225 CA THR A 82 42.941 42.041 137.064 1.00 0.00 C ATOM 226 C THR A 82 43.109 42.999 135.924 1.00 0.00 C ATOM 227 O THR A 82 43.311 44.192 136.139 1.00 0.00 O ATOM 228 CB THR A 82 44.268 41.387 137.292 1.00 0.00 C ATOM 229 OG1 THR A 82 44.167 40.440 138.343 1.00 0.00 O ATOM 230 CG2 THR A 82 45.293 42.475 137.656 1.00 0.00 C ATOM 0 H THR A 82 42.194 40.134 136.682 1.00 0.00 H new ATOM 0 HA THR A 82 42.639 42.534 137.988 1.00 0.00 H new ATOM 0 HB THR A 82 44.587 40.866 136.389 1.00 0.00 H new ATOM 0 HG1 THR A 82 45.039 40.015 138.485 1.00 0.00 H new ATOM 0 HG21 THR A 82 46.267 42.015 137.826 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.368 43.192 136.839 1.00 0.00 H new ATOM 0 HG23 THR A 82 44.972 42.989 138.562 1.00 0.00 H new ATOM 238 N LEU A 83 43.044 42.495 134.675 1.00 0.00 N ATOM 239 CA LEU A 83 43.184 43.315 133.498 1.00 0.00 C ATOM 240 C LEU A 83 42.047 44.284 133.431 1.00 0.00 C ATOM 241 O LEU A 83 42.231 45.433 133.030 1.00 0.00 O ATOM 242 CB LEU A 83 43.134 42.515 132.182 1.00 0.00 C ATOM 243 CG LEU A 83 44.337 41.584 131.956 1.00 0.00 C ATOM 244 CD1 LEU A 83 44.213 40.831 130.621 1.00 0.00 C ATOM 245 CD2 LEU A 83 45.668 42.346 132.095 1.00 0.00 C ATOM 0 H LEU A 83 42.892 41.506 134.475 1.00 0.00 H new ATOM 0 HA LEU A 83 44.158 43.797 133.588 1.00 0.00 H new ATOM 0 HB2 LEU A 83 42.222 41.919 132.168 1.00 0.00 H new ATOM 0 HB3 LEU A 83 43.070 43.214 131.348 1.00 0.00 H new ATOM 0 HG LEU A 83 44.335 40.826 132.739 1.00 0.00 H new ATOM 0 HD11 LEU A 83 45.078 40.181 130.488 1.00 0.00 H new ATOM 0 HD12 LEU A 83 43.304 40.230 130.626 1.00 0.00 H new ATOM 0 HD13 LEU A 83 44.170 41.548 129.801 1.00 0.00 H new ATOM 0 HD21 LEU A 83 46.499 41.660 131.930 1.00 0.00 H new ATOM 0 HD22 LEU A 83 45.707 43.148 131.358 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.742 42.770 133.096 1.00 0.00 H new ATOM 257 N GLU A 84 40.833 43.835 133.806 1.00 0.00 N ATOM 258 CA GLU A 84 39.676 44.679 133.735 1.00 0.00 C ATOM 259 C GLU A 84 39.919 45.846 134.636 1.00 0.00 C ATOM 260 O GLU A 84 39.621 46.987 134.287 1.00 0.00 O ATOM 261 CB GLU A 84 38.407 43.989 134.268 1.00 0.00 C ATOM 262 CG GLU A 84 38.047 42.700 133.531 1.00 0.00 C ATOM 263 CD GLU A 84 37.830 43.044 132.068 1.00 0.00 C ATOM 264 OE1 GLU A 84 37.750 44.262 131.744 1.00 0.00 O ATOM 265 OE2 GLU A 84 37.742 42.087 131.256 1.00 0.00 O ATOM 0 H GLU A 84 40.653 42.894 134.156 1.00 0.00 H new ATOM 0 HA GLU A 84 39.524 44.947 132.689 1.00 0.00 H new ATOM 0 HB2 GLU A 84 38.544 43.765 135.326 1.00 0.00 H new ATOM 0 HB3 GLU A 84 37.570 44.683 134.195 1.00 0.00 H new ATOM 0 HG2 GLU A 84 38.845 41.965 133.636 1.00 0.00 H new ATOM 0 HG3 GLU A 84 37.147 42.256 133.956 1.00 0.00 H new ATOM 272 N ASP A 85 40.480 45.566 135.825 1.00 0.00 N ATOM 273 CA ASP A 85 40.754 46.563 136.818 1.00 0.00 C ATOM 274 C ASP A 85 41.790 47.503 136.284 1.00 0.00 C ATOM 275 O ASP A 85 41.733 48.706 136.533 1.00 0.00 O ATOM 276 CB ASP A 85 41.308 45.947 138.112 1.00 0.00 C ATOM 277 CG ASP A 85 41.509 47.057 139.132 1.00 0.00 C ATOM 278 OD1 ASP A 85 40.820 48.108 139.015 1.00 0.00 O ATOM 279 OD2 ASP A 85 42.352 46.869 140.047 1.00 0.00 O ATOM 0 H ASP A 85 40.751 44.624 136.106 1.00 0.00 H new ATOM 0 HA ASP A 85 39.817 47.073 137.043 1.00 0.00 H new ATOM 0 HB2 ASP A 85 40.618 45.198 138.500 1.00 0.00 H new ATOM 0 HB3 ASP A 85 42.252 45.439 137.915 1.00 0.00 H new ATOM 284 N ALA A 86 42.766 46.963 135.532 1.00 0.00 N ATOM 285 CA ALA A 86 43.849 47.731 134.988 1.00 0.00 C ATOM 286 C ALA A 86 43.301 48.749 134.037 1.00 0.00 C ATOM 287 O ALA A 86 43.811 49.866 133.951 1.00 0.00 O ATOM 288 CB ALA A 86 44.859 46.861 134.217 1.00 0.00 C ATOM 0 H ALA A 86 42.806 45.972 135.295 1.00 0.00 H new ATOM 0 HA ALA A 86 44.365 48.197 135.827 1.00 0.00 H new ATOM 0 HB1 ALA A 86 45.658 47.491 133.826 1.00 0.00 H new ATOM 0 HB2 ALA A 86 45.282 46.113 134.888 1.00 0.00 H new ATOM 0 HB3 ALA A 86 44.353 46.362 133.390 1.00 0.00 H new ATOM 294 N VAL A 87 42.256 48.376 133.275 1.00 0.00 N ATOM 295 CA VAL A 87 41.681 49.275 132.317 1.00 0.00 C ATOM 296 C VAL A 87 41.120 50.461 133.036 1.00 0.00 C ATOM 297 O VAL A 87 41.269 51.592 132.578 1.00 0.00 O ATOM 298 CB VAL A 87 40.537 48.680 131.556 1.00 0.00 C ATOM 299 CG1 VAL A 87 39.957 49.768 130.633 1.00 0.00 C ATOM 300 CG2 VAL A 87 41.021 47.415 130.830 1.00 0.00 C ATOM 0 H VAL A 87 41.811 47.459 133.320 1.00 0.00 H new ATOM 0 HA VAL A 87 42.482 49.526 131.622 1.00 0.00 H new ATOM 0 HB VAL A 87 39.725 48.356 132.207 1.00 0.00 H new ATOM 0 HG11 VAL A 87 39.121 49.357 130.067 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.610 50.608 131.234 1.00 0.00 H new ATOM 0 HG13 VAL A 87 40.729 50.109 129.943 1.00 0.00 H new ATOM 0 HG21 VAL A 87 40.193 46.976 130.273 1.00 0.00 H new ATOM 0 HG22 VAL A 87 41.824 47.676 130.141 1.00 0.00 H new ATOM 0 HG23 VAL A 87 41.390 46.695 131.560 1.00 0.00 H new ATOM 310 N LYS A 88 40.425 50.226 134.167 1.00 0.00 N ATOM 311 CA LYS A 88 39.832 51.308 134.900 1.00 0.00 C ATOM 312 C LYS A 88 40.900 52.209 135.440 1.00 0.00 C ATOM 313 O LYS A 88 40.882 53.412 135.182 1.00 0.00 O ATOM 314 CB LYS A 88 39.011 50.826 136.110 1.00 0.00 C ATOM 315 CG LYS A 88 37.625 50.268 135.775 1.00 0.00 C ATOM 316 CD LYS A 88 36.664 51.326 135.233 1.00 0.00 C ATOM 317 CE LYS A 88 35.207 50.866 135.181 1.00 0.00 C ATOM 318 NZ LYS A 88 34.315 52.038 135.037 1.00 0.00 N ATOM 0 H LYS A 88 40.274 49.301 134.570 1.00 0.00 H new ATOM 0 HA LYS A 88 39.177 51.823 134.197 1.00 0.00 H new ATOM 0 HB2 LYS A 88 39.579 50.056 136.631 1.00 0.00 H new ATOM 0 HB3 LYS A 88 38.892 51.658 136.804 1.00 0.00 H new ATOM 0 HG2 LYS A 88 37.730 49.471 135.039 1.00 0.00 H new ATOM 0 HG3 LYS A 88 37.195 49.820 136.671 1.00 0.00 H new ATOM 0 HD2 LYS A 88 36.732 52.218 135.855 1.00 0.00 H new ATOM 0 HD3 LYS A 88 36.981 51.612 134.230 1.00 0.00 H new ATOM 0 HE2 LYS A 88 35.062 50.182 134.345 1.00 0.00 H new ATOM 0 HE3 LYS A 88 34.957 50.317 136.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 33.326 51.719 135.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 34.445 52.675 135.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 34.546 52.545 134.159 1.00 0.00 H new ATOM 332 N HIS A 89 41.881 51.647 136.180 1.00 0.00 N ATOM 333 CA HIS A 89 42.879 52.495 136.776 1.00 0.00 C ATOM 334 C HIS A 89 44.237 52.076 136.319 1.00 0.00 C ATOM 335 O HIS A 89 44.779 51.063 136.758 1.00 0.00 O ATOM 336 CB HIS A 89 42.904 52.449 138.317 1.00 0.00 C ATOM 337 CG HIS A 89 41.747 53.141 138.974 1.00 0.00 C ATOM 338 ND1 HIS A 89 41.747 54.475 139.315 1.00 0.00 N ATOM 339 CD2 HIS A 89 40.537 52.657 139.362 1.00 0.00 C ATOM 340 CE1 HIS A 89 40.545 54.732 139.888 1.00 0.00 C ATOM 341 NE2 HIS A 89 39.776 53.659 139.940 1.00 0.00 N ATOM 0 H HIS A 89 41.984 50.649 136.362 1.00 0.00 H new ATOM 0 HA HIS A 89 42.618 53.506 136.463 1.00 0.00 H new ATOM 0 HB2 HIS A 89 42.919 51.407 138.638 1.00 0.00 H new ATOM 0 HB3 HIS A 89 43.831 52.904 138.667 1.00 0.00 H new ATOM 0 HD2 HIS A 89 40.215 51.634 139.237 1.00 0.00 H new ATOM 0 HE1 HIS A 89 40.250 55.702 140.259 1.00 0.00 H new ATOM 0 HE2 HIS A 89 38.833 53.585 140.321 1.00 0.00 H new ATOM 349 N PRO A 90 44.796 52.838 135.424 1.00 0.00 N ATOM 350 CA PRO A 90 46.122 52.578 134.947 1.00 0.00 C ATOM 351 C PRO A 90 47.188 52.883 135.954 1.00 0.00 C ATOM 352 O PRO A 90 48.249 52.268 135.888 1.00 0.00 O ATOM 353 CB PRO A 90 46.278 53.375 133.647 1.00 0.00 C ATOM 354 CG PRO A 90 45.071 54.332 133.627 1.00 0.00 C ATOM 355 CD PRO A 90 44.015 53.595 134.464 1.00 0.00 C ATOM 0 HA PRO A 90 46.254 51.512 134.762 1.00 0.00 H new ATOM 0 HB2 PRO A 90 47.219 53.924 133.630 1.00 0.00 H new ATOM 0 HB3 PRO A 90 46.277 52.718 132.777 1.00 0.00 H new ATOM 0 HG2 PRO A 90 45.320 55.301 134.059 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.721 54.516 132.611 1.00 0.00 H new ATOM 0 HD2 PRO A 90 43.340 54.293 134.960 1.00 0.00 H new ATOM 0 HD3 PRO A 90 43.400 52.941 133.845 1.00 0.00 H new ATOM 363 N GLU A 91 46.933 53.804 136.900 1.00 0.00 N ATOM 364 CA GLU A 91 47.927 54.236 137.844 1.00 0.00 C ATOM 365 C GLU A 91 48.340 53.082 138.698 1.00 0.00 C ATOM 366 O GLU A 91 49.475 53.035 139.174 1.00 0.00 O ATOM 367 CB GLU A 91 47.410 55.315 138.804 1.00 0.00 C ATOM 368 CG GLU A 91 46.250 54.810 139.661 1.00 0.00 C ATOM 369 CD GLU A 91 45.976 55.843 140.739 1.00 0.00 C ATOM 370 OE1 GLU A 91 45.283 56.851 140.440 1.00 0.00 O ATOM 371 OE2 GLU A 91 46.462 55.636 141.883 1.00 0.00 O ATOM 0 H GLU A 91 46.027 54.257 137.015 1.00 0.00 H new ATOM 0 HA GLU A 91 48.749 54.640 137.253 1.00 0.00 H new ATOM 0 HB2 GLU A 91 48.223 55.644 139.451 1.00 0.00 H new ATOM 0 HB3 GLU A 91 47.086 56.185 138.232 1.00 0.00 H new ATOM 0 HG2 GLU A 91 45.362 54.656 139.047 1.00 0.00 H new ATOM 0 HG3 GLU A 91 46.499 53.848 140.110 1.00 0.00 H new ATOM 378 N LYS A 92 47.410 52.151 138.967 1.00 0.00 N ATOM 379 CA LYS A 92 47.695 51.046 139.838 1.00 0.00 C ATOM 380 C LYS A 92 48.728 50.130 139.258 1.00 0.00 C ATOM 381 O LYS A 92 49.539 49.587 140.008 1.00 0.00 O ATOM 382 CB LYS A 92 46.467 50.184 140.173 1.00 0.00 C ATOM 383 CG LYS A 92 45.471 50.889 141.092 1.00 0.00 C ATOM 384 CD LYS A 92 44.200 50.083 141.371 1.00 0.00 C ATOM 385 CE LYS A 92 44.305 49.210 142.624 1.00 0.00 C ATOM 386 NZ LYS A 92 42.980 48.649 142.975 1.00 0.00 N ATOM 0 H LYS A 92 46.464 52.159 138.586 1.00 0.00 H new ATOM 0 HA LYS A 92 48.057 51.520 140.751 1.00 0.00 H new ATOM 0 HB2 LYS A 92 45.963 49.905 139.247 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.798 49.260 140.647 1.00 0.00 H new ATOM 0 HG2 LYS A 92 45.962 51.112 142.039 1.00 0.00 H new ATOM 0 HG3 LYS A 92 45.193 51.843 140.645 1.00 0.00 H new ATOM 0 HD2 LYS A 92 43.360 50.768 141.482 1.00 0.00 H new ATOM 0 HD3 LYS A 92 43.983 49.449 140.511 1.00 0.00 H new ATOM 0 HE2 LYS A 92 45.016 48.401 142.453 1.00 0.00 H new ATOM 0 HE3 LYS A 92 44.689 49.801 143.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 43.067 48.059 143.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 42.312 49.425 143.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 42.629 48.069 142.187 1.00 0.00 H new ATOM 400 N TYR A 93 48.719 49.892 137.927 1.00 0.00 N ATOM 401 CA TYR A 93 49.673 48.957 137.384 1.00 0.00 C ATOM 402 C TYR A 93 50.614 49.673 136.451 1.00 0.00 C ATOM 403 O TYR A 93 50.471 49.578 135.234 1.00 0.00 O ATOM 404 CB TYR A 93 49.002 47.872 136.522 1.00 0.00 C ATOM 405 CG TYR A 93 48.014 47.111 137.343 1.00 0.00 C ATOM 406 CD1 TYR A 93 46.784 47.658 137.628 1.00 0.00 C ATOM 407 CD2 TYR A 93 48.307 45.848 137.809 1.00 0.00 C ATOM 408 CE1 TYR A 93 45.861 46.962 138.373 1.00 0.00 C ATOM 409 CE2 TYR A 93 47.386 45.148 138.555 1.00 0.00 C ATOM 410 CZ TYR A 93 46.161 45.707 138.841 1.00 0.00 C ATOM 411 OH TYR A 93 45.206 45.001 139.604 1.00 0.00 O ATOM 0 H TYR A 93 48.085 50.322 137.253 1.00 0.00 H new ATOM 0 HA TYR A 93 50.177 48.510 138.241 1.00 0.00 H new ATOM 0 HB2 TYR A 93 48.503 48.330 135.668 1.00 0.00 H new ATOM 0 HB3 TYR A 93 49.756 47.194 136.123 1.00 0.00 H new ATOM 0 HD1 TYR A 93 46.541 48.645 137.263 1.00 0.00 H new ATOM 0 HD2 TYR A 93 49.266 45.404 137.587 1.00 0.00 H new ATOM 0 HE1 TYR A 93 44.899 47.403 138.590 1.00 0.00 H new ATOM 0 HE2 TYR A 93 47.625 44.159 138.916 1.00 0.00 H new ATOM 0 HH TYR A 93 44.304 45.267 139.327 1.00 0.00 H new ATOM 421 N PRO A 94 51.592 50.365 136.972 1.00 0.00 N ATOM 422 CA PRO A 94 52.520 51.067 136.125 1.00 0.00 C ATOM 423 C PRO A 94 53.412 50.199 135.300 1.00 0.00 C ATOM 424 O PRO A 94 53.653 50.531 134.140 1.00 0.00 O ATOM 425 CB PRO A 94 53.293 52.010 137.043 1.00 0.00 C ATOM 426 CG PRO A 94 52.316 52.276 138.201 1.00 0.00 C ATOM 427 CD PRO A 94 51.454 51.005 138.270 1.00 0.00 C ATOM 0 HA PRO A 94 51.968 51.610 135.358 1.00 0.00 H new ATOM 0 HB2 PRO A 94 54.218 51.555 137.397 1.00 0.00 H new ATOM 0 HB3 PRO A 94 53.567 52.932 136.531 1.00 0.00 H new ATOM 0 HG2 PRO A 94 52.847 52.448 139.137 1.00 0.00 H new ATOM 0 HG3 PRO A 94 51.707 53.160 138.012 1.00 0.00 H new ATOM 0 HD2 PRO A 94 51.792 50.346 139.069 1.00 0.00 H new ATOM 0 HD3 PRO A 94 50.412 51.249 138.477 1.00 0.00 H new ATOM 435 N GLN A 95 53.920 49.086 135.860 1.00 0.00 N ATOM 436 CA GLN A 95 54.818 48.331 135.042 1.00 0.00 C ATOM 437 C GLN A 95 54.209 46.995 134.762 1.00 0.00 C ATOM 438 O GLN A 95 54.903 45.982 134.683 1.00 0.00 O ATOM 439 CB GLN A 95 56.196 48.120 135.686 1.00 0.00 C ATOM 440 CG GLN A 95 57.201 47.481 134.728 1.00 0.00 C ATOM 441 CD GLN A 95 58.571 47.509 135.391 1.00 0.00 C ATOM 442 OE1 GLN A 95 59.163 48.572 135.572 1.00 0.00 O ATOM 443 NE2 GLN A 95 59.091 46.311 135.767 1.00 0.00 N ATOM 0 H GLN A 95 53.732 48.730 136.797 1.00 0.00 H new ATOM 0 HA GLN A 95 54.975 48.903 134.128 1.00 0.00 H new ATOM 0 HB2 GLN A 95 56.584 49.080 136.027 1.00 0.00 H new ATOM 0 HB3 GLN A 95 56.088 47.488 136.568 1.00 0.00 H new ATOM 0 HG2 GLN A 95 56.910 46.456 134.499 1.00 0.00 H new ATOM 0 HG3 GLN A 95 57.224 48.024 133.783 1.00 0.00 H new ATOM 0 HE21 GLN A 95 58.567 45.452 135.599 1.00 0.00 H new ATOM 0 HE22 GLN A 95 60.005 46.271 136.218 1.00 0.00 H new ATOM 452 N LEU A 96 52.882 46.961 134.559 1.00 0.00 N ATOM 453 CA LEU A 96 52.249 45.719 134.243 1.00 0.00 C ATOM 454 C LEU A 96 52.685 45.357 132.860 1.00 0.00 C ATOM 455 O LEU A 96 52.646 46.199 131.964 1.00 0.00 O ATOM 456 CB LEU A 96 50.705 45.825 134.299 1.00 0.00 C ATOM 457 CG LEU A 96 49.893 44.603 133.809 1.00 0.00 C ATOM 458 CD1 LEU A 96 48.424 44.739 134.217 1.00 0.00 C ATOM 459 CD2 LEU A 96 49.967 44.417 132.285 1.00 0.00 C ATOM 0 H LEU A 96 52.261 47.768 134.611 1.00 0.00 H new ATOM 0 HA LEU A 96 52.535 44.961 134.972 1.00 0.00 H new ATOM 0 HB2 LEU A 96 50.418 46.029 135.330 1.00 0.00 H new ATOM 0 HB3 LEU A 96 50.404 46.689 133.707 1.00 0.00 H new ATOM 0 HG LEU A 96 50.340 43.728 134.280 1.00 0.00 H new ATOM 0 HD11 LEU A 96 47.867 43.871 133.865 1.00 0.00 H new ATOM 0 HD12 LEU A 96 48.352 44.800 135.303 1.00 0.00 H new ATOM 0 HD13 LEU A 96 48.006 45.643 133.774 1.00 0.00 H new ATOM 0 HD21 LEU A 96 49.380 43.545 131.996 1.00 0.00 H new ATOM 0 HD22 LEU A 96 49.569 45.303 131.791 1.00 0.00 H new ATOM 0 HD23 LEU A 96 51.005 44.270 131.986 1.00 0.00 H new ATOM 471 N THR A 97 53.108 44.090 132.655 1.00 0.00 N ATOM 472 CA THR A 97 53.561 43.681 131.351 1.00 0.00 C ATOM 473 C THR A 97 52.920 42.371 130.997 1.00 0.00 C ATOM 474 O THR A 97 52.739 41.499 131.848 1.00 0.00 O ATOM 475 CB THR A 97 55.053 43.516 131.274 1.00 0.00 C ATOM 476 OG1 THR A 97 55.691 44.735 131.625 1.00 0.00 O ATOM 477 CG2 THR A 97 55.443 43.127 129.838 1.00 0.00 C ATOM 0 H THR A 97 53.137 43.364 133.371 1.00 0.00 H new ATOM 0 HA THR A 97 53.278 44.469 130.653 1.00 0.00 H new ATOM 0 HB THR A 97 55.369 42.736 131.967 1.00 0.00 H new ATOM 0 HG1 THR A 97 56.663 44.622 131.575 1.00 0.00 H new ATOM 0 HG21 THR A 97 56.524 43.006 129.775 1.00 0.00 H new ATOM 0 HG22 THR A 97 54.956 42.189 129.570 1.00 0.00 H new ATOM 0 HG23 THR A 97 55.125 43.910 129.150 1.00 0.00 H new ATOM 485 N ILE A 98 52.554 42.206 129.703 1.00 0.00 N ATOM 486 CA ILE A 98 51.917 41.000 129.234 1.00 0.00 C ATOM 487 C ILE A 98 52.490 40.591 127.905 1.00 0.00 C ATOM 488 O ILE A 98 53.004 41.418 127.156 1.00 0.00 O ATOM 489 CB ILE A 98 50.424 41.140 129.084 1.00 0.00 C ATOM 490 CG1 ILE A 98 50.068 42.276 128.102 1.00 0.00 C ATOM 491 CG2 ILE A 98 49.818 41.295 130.490 1.00 0.00 C ATOM 492 CD1 ILE A 98 48.582 42.354 127.756 1.00 0.00 C ATOM 0 H ILE A 98 52.700 42.910 128.979 1.00 0.00 H new ATOM 0 HA ILE A 98 52.111 40.242 129.993 1.00 0.00 H new ATOM 0 HB ILE A 98 49.986 40.250 128.633 1.00 0.00 H new ATOM 0 HG12 ILE A 98 50.381 43.227 128.533 1.00 0.00 H new ATOM 0 HG13 ILE A 98 50.638 42.140 127.183 1.00 0.00 H new ATOM 0 HG21 ILE A 98 48.736 41.398 130.410 1.00 0.00 H new ATOM 0 HG22 ILE A 98 50.055 40.415 131.088 1.00 0.00 H new ATOM 0 HG23 ILE A 98 50.233 42.182 130.969 1.00 0.00 H new ATOM 0 HD11 ILE A 98 48.413 43.177 127.062 1.00 0.00 H new ATOM 0 HD12 ILE A 98 48.266 41.419 127.294 1.00 0.00 H new ATOM 0 HD13 ILE A 98 48.005 42.522 128.665 1.00 0.00 H new ATOM 504 N ARG A 99 52.419 39.279 127.582 1.00 0.00 N ATOM 505 CA ARG A 99 52.940 38.794 126.326 1.00 0.00 C ATOM 506 C ARG A 99 51.797 38.805 125.356 1.00 0.00 C ATOM 507 O ARG A 99 50.757 38.194 125.596 1.00 0.00 O ATOM 508 CB ARG A 99 53.479 37.357 126.391 1.00 0.00 C ATOM 509 CG ARG A 99 54.554 37.160 127.462 1.00 0.00 C ATOM 510 CD ARG A 99 55.828 37.978 127.239 1.00 0.00 C ATOM 511 NE ARG A 99 56.577 37.380 126.096 1.00 0.00 N ATOM 512 CZ ARG A 99 57.894 37.693 125.931 1.00 0.00 C ATOM 513 NH1 ARG A 99 58.505 38.536 126.812 1.00 0.00 N ATOM 514 NH2 ARG A 99 58.609 37.162 124.897 1.00 0.00 N ATOM 0 H ARG A 99 52.008 38.562 128.179 1.00 0.00 H new ATOM 0 HA ARG A 99 53.775 39.434 126.039 1.00 0.00 H new ATOM 0 HB2 ARG A 99 52.652 36.675 126.587 1.00 0.00 H new ATOM 0 HB3 ARG A 99 53.891 37.087 125.419 1.00 0.00 H new ATOM 0 HG2 ARG A 99 54.134 37.422 128.433 1.00 0.00 H new ATOM 0 HG3 ARG A 99 54.818 36.103 127.504 1.00 0.00 H new ATOM 0 HD2 ARG A 99 55.579 39.018 127.027 1.00 0.00 H new ATOM 0 HD3 ARG A 99 56.443 37.975 128.139 1.00 0.00 H new ATOM 0 HE ARG A 99 56.111 36.746 125.447 1.00 0.00 H new ATOM 0 HH11 ARG A 99 57.977 38.930 127.591 1.00 0.00 H new ATOM 0 HH12 ARG A 99 59.490 38.773 126.692 1.00 0.00 H new ATOM 0 HH21 ARG A 99 58.159 36.525 124.240 1.00 0.00 H new ATOM 0 HH22 ARG A 99 59.594 37.402 124.782 1.00 0.00 H new ATOM 528 N VAL A 100 51.914 39.641 124.306 1.00 0.00 N ATOM 529 CA VAL A 100 50.892 39.787 123.308 1.00 0.00 C ATOM 530 C VAL A 100 50.919 38.829 122.156 1.00 0.00 C ATOM 531 O VAL A 100 49.861 38.320 121.780 1.00 0.00 O ATOM 532 CB VAL A 100 50.820 41.189 122.797 1.00 0.00 C ATOM 533 CG1 VAL A 100 50.324 42.072 123.953 1.00 0.00 C ATOM 534 CG2 VAL A 100 52.210 41.599 122.289 1.00 0.00 C ATOM 0 H VAL A 100 52.733 40.227 124.146 1.00 0.00 H new ATOM 0 HA VAL A 100 49.989 39.525 123.859 1.00 0.00 H new ATOM 0 HB VAL A 100 50.129 41.295 121.961 1.00 0.00 H new ATOM 0 HG11 VAL A 100 50.258 43.107 123.618 1.00 0.00 H new ATOM 0 HG12 VAL A 100 49.340 41.731 124.275 1.00 0.00 H new ATOM 0 HG13 VAL A 100 51.022 42.005 124.788 1.00 0.00 H new ATOM 0 HG21 VAL A 100 52.173 42.621 121.912 1.00 0.00 H new ATOM 0 HG22 VAL A 100 52.928 41.539 123.107 1.00 0.00 H new ATOM 0 HG23 VAL A 100 52.517 40.928 121.487 1.00 0.00 H new ATOM 544 N SER A 101 52.102 38.607 121.525 1.00 0.00 N ATOM 545 CA SER A 101 52.174 37.712 120.398 1.00 0.00 C ATOM 546 C SER A 101 53.609 37.482 120.006 1.00 0.00 C ATOM 547 O SER A 101 53.922 37.502 118.814 1.00 0.00 O ATOM 548 CB SER A 101 51.504 38.256 119.125 1.00 0.00 C ATOM 549 OG SER A 101 50.087 38.206 119.220 1.00 0.00 O ATOM 0 H SER A 101 52.988 39.038 121.790 1.00 0.00 H new ATOM 0 HA SER A 101 51.661 36.811 120.734 1.00 0.00 H new ATOM 0 HB2 SER A 101 51.822 39.285 118.956 1.00 0.00 H new ATOM 0 HB3 SER A 101 51.833 37.675 118.263 1.00 0.00 H new ATOM 0 HG SER A 101 49.830 37.891 120.111 1.00 0.00 H new ATOM 555 N GLY A 102 54.497 37.152 120.968 1.00 0.00 N ATOM 556 CA GLY A 102 55.882 36.935 120.643 1.00 0.00 C ATOM 557 C GLY A 102 56.727 38.006 121.272 1.00 0.00 C ATOM 558 O GLY A 102 57.953 37.895 121.290 1.00 0.00 O ATOM 0 H GLY A 102 54.264 37.037 121.954 1.00 0.00 H new ATOM 0 HA2 GLY A 102 56.199 35.954 120.998 1.00 0.00 H new ATOM 0 HA3 GLY A 102 56.016 36.942 119.561 1.00 0.00 H new ATOM 562 N TYR A 103 56.097 39.084 121.782 1.00 0.00 N ATOM 563 CA TYR A 103 56.827 40.122 122.453 1.00 0.00 C ATOM 564 C TYR A 103 55.986 40.583 123.610 1.00 0.00 C ATOM 565 O TYR A 103 54.871 40.100 123.800 1.00 0.00 O ATOM 566 CB TYR A 103 57.192 41.313 121.542 1.00 0.00 C ATOM 567 CG TYR A 103 55.948 41.994 121.097 1.00 0.00 C ATOM 568 CD1 TYR A 103 55.140 41.441 120.134 1.00 0.00 C ATOM 569 CD2 TYR A 103 55.573 43.183 121.673 1.00 0.00 C ATOM 570 CE1 TYR A 103 53.990 42.080 119.728 1.00 0.00 C ATOM 571 CE2 TYR A 103 54.426 43.826 121.273 1.00 0.00 C ATOM 572 CZ TYR A 103 53.629 43.276 120.300 1.00 0.00 C ATOM 573 OH TYR A 103 52.449 43.939 119.892 1.00 0.00 O ATOM 0 H TYR A 103 55.090 39.237 121.731 1.00 0.00 H new ATOM 0 HA TYR A 103 57.782 39.714 122.784 1.00 0.00 H new ATOM 0 HB2 TYR A 103 57.831 42.014 122.080 1.00 0.00 H new ATOM 0 HB3 TYR A 103 57.758 40.964 120.678 1.00 0.00 H new ATOM 0 HD1 TYR A 103 55.410 40.494 119.690 1.00 0.00 H new ATOM 0 HD2 TYR A 103 56.186 43.617 122.449 1.00 0.00 H new ATOM 0 HE1 TYR A 103 53.371 41.641 118.959 1.00 0.00 H new ATOM 0 HE2 TYR A 103 54.151 44.767 121.726 1.00 0.00 H new ATOM 0 HH TYR A 103 52.348 44.770 120.402 1.00 0.00 H new ATOM 583 N ALA A 104 56.514 41.512 124.438 1.00 0.00 N ATOM 584 CA ALA A 104 55.781 41.933 125.602 1.00 0.00 C ATOM 585 C ALA A 104 55.493 43.396 125.500 1.00 0.00 C ATOM 586 O ALA A 104 56.161 44.119 124.762 1.00 0.00 O ATOM 587 CB ALA A 104 56.543 41.727 126.920 1.00 0.00 C ATOM 0 H ALA A 104 57.421 41.961 124.309 1.00 0.00 H new ATOM 0 HA ALA A 104 54.880 41.321 125.624 1.00 0.00 H new ATOM 0 HB1 ALA A 104 55.928 42.067 127.753 1.00 0.00 H new ATOM 0 HB2 ALA A 104 56.772 40.669 127.046 1.00 0.00 H new ATOM 0 HB3 ALA A 104 57.471 42.299 126.897 1.00 0.00 H new ATOM 593 N VAL A 105 54.448 43.857 126.229 1.00 0.00 N ATOM 594 CA VAL A 105 54.087 45.243 126.188 1.00 0.00 C ATOM 595 C VAL A 105 53.492 45.615 127.509 1.00 0.00 C ATOM 596 O VAL A 105 52.917 44.781 128.205 1.00 0.00 O ATOM 597 CB VAL A 105 53.038 45.532 125.162 1.00 0.00 C ATOM 598 CG1 VAL A 105 53.631 45.257 123.769 1.00 0.00 C ATOM 599 CG2 VAL A 105 51.804 44.674 125.491 1.00 0.00 C ATOM 0 H VAL A 105 53.866 43.279 126.835 1.00 0.00 H new ATOM 0 HA VAL A 105 54.990 45.803 125.947 1.00 0.00 H new ATOM 0 HB VAL A 105 52.719 46.574 125.168 1.00 0.00 H new ATOM 0 HG11 VAL A 105 52.880 45.462 123.007 1.00 0.00 H new ATOM 0 HG12 VAL A 105 54.496 45.900 123.608 1.00 0.00 H new ATOM 0 HG13 VAL A 105 53.938 44.213 123.704 1.00 0.00 H new ATOM 0 HG21 VAL A 105 51.022 44.865 124.757 1.00 0.00 H new ATOM 0 HG22 VAL A 105 52.077 43.619 125.464 1.00 0.00 H new ATOM 0 HG23 VAL A 105 51.438 44.929 126.486 1.00 0.00 H new ATOM 609 N ARG A 106 53.633 46.899 127.899 1.00 0.00 N ATOM 610 CA ARG A 106 52.999 47.332 129.105 1.00 0.00 C ATOM 611 C ARG A 106 51.553 47.466 128.748 1.00 0.00 C ATOM 612 O ARG A 106 51.222 47.920 127.654 1.00 0.00 O ATOM 613 CB ARG A 106 53.510 48.684 129.632 1.00 0.00 C ATOM 614 CG ARG A 106 53.330 49.841 128.651 1.00 0.00 C ATOM 615 CD ARG A 106 53.840 51.176 129.200 1.00 0.00 C ATOM 616 NE ARG A 106 55.306 51.251 128.974 1.00 0.00 N ATOM 617 CZ ARG A 106 56.193 50.973 129.975 1.00 0.00 C ATOM 618 NH1 ARG A 106 55.749 50.626 131.218 1.00 0.00 N ATOM 619 NH2 ARG A 106 57.532 51.072 129.730 1.00 0.00 N ATOM 0 H ARG A 106 54.165 47.612 127.400 1.00 0.00 H new ATOM 0 HA ARG A 106 53.205 46.616 129.901 1.00 0.00 H new ATOM 0 HB2 ARG A 106 52.988 48.922 130.559 1.00 0.00 H new ATOM 0 HB3 ARG A 106 54.568 48.590 129.877 1.00 0.00 H new ATOM 0 HG2 ARG A 106 53.857 49.610 127.725 1.00 0.00 H new ATOM 0 HG3 ARG A 106 52.273 49.937 128.401 1.00 0.00 H new ATOM 0 HD2 ARG A 106 53.338 52.006 128.704 1.00 0.00 H new ATOM 0 HD3 ARG A 106 53.616 51.258 130.264 1.00 0.00 H new ATOM 0 HE ARG A 106 55.657 51.515 128.054 1.00 0.00 H new ATOM 0 HH11 ARG A 106 54.748 50.573 131.405 1.00 0.00 H new ATOM 0 HH12 ARG A 106 56.418 50.420 131.960 1.00 0.00 H new ATOM 0 HH21 ARG A 106 57.862 51.351 128.806 1.00 0.00 H new ATOM 0 HH22 ARG A 106 58.203 50.867 130.471 1.00 0.00 H new ATOM 633 N PHE A 107 50.649 47.076 129.662 1.00 0.00 N ATOM 634 CA PHE A 107 49.242 47.067 129.367 1.00 0.00 C ATOM 635 C PHE A 107 48.773 48.465 129.074 1.00 0.00 C ATOM 636 O PHE A 107 47.966 48.690 128.173 1.00 0.00 O ATOM 637 CB PHE A 107 48.422 46.465 130.527 1.00 0.00 C ATOM 638 CG PHE A 107 47.013 46.231 130.091 1.00 0.00 C ATOM 639 CD1 PHE A 107 46.690 45.160 129.293 1.00 0.00 C ATOM 640 CD2 PHE A 107 46.003 47.070 130.501 1.00 0.00 C ATOM 641 CE1 PHE A 107 45.392 44.937 128.894 1.00 0.00 C ATOM 642 CE2 PHE A 107 44.702 46.855 130.108 1.00 0.00 C ATOM 643 CZ PHE A 107 44.393 45.786 129.300 1.00 0.00 C ATOM 0 H PHE A 107 50.886 46.767 130.605 1.00 0.00 H new ATOM 0 HA PHE A 107 49.086 46.439 128.490 1.00 0.00 H new ATOM 0 HB2 PHE A 107 48.871 45.526 130.852 1.00 0.00 H new ATOM 0 HB3 PHE A 107 48.439 47.139 131.383 1.00 0.00 H new ATOM 0 HD1 PHE A 107 47.468 44.482 128.974 1.00 0.00 H new ATOM 0 HD2 PHE A 107 46.234 47.909 131.140 1.00 0.00 H new ATOM 0 HE1 PHE A 107 45.159 44.093 128.261 1.00 0.00 H new ATOM 0 HE2 PHE A 107 43.922 47.527 130.435 1.00 0.00 H new ATOM 0 HZ PHE A 107 43.373 45.616 128.988 1.00 0.00 H new ATOM 653 N ASN A 108 49.269 49.451 129.833 1.00 0.00 N ATOM 654 CA ASN A 108 48.851 50.813 129.666 1.00 0.00 C ATOM 655 C ASN A 108 49.299 51.389 128.352 1.00 0.00 C ATOM 656 O ASN A 108 48.813 52.447 127.960 1.00 0.00 O ATOM 657 CB ASN A 108 49.202 51.727 130.857 1.00 0.00 C ATOM 658 CG ASN A 108 50.664 51.574 131.216 1.00 0.00 C ATOM 659 OD1 ASN A 108 51.542 51.954 130.455 1.00 0.00 O ATOM 660 ND2 ASN A 108 50.926 51.001 132.423 1.00 0.00 N ATOM 0 H ASN A 108 49.963 49.310 130.567 1.00 0.00 H new ATOM 0 HA ASN A 108 47.762 50.778 129.646 1.00 0.00 H new ATOM 0 HB2 ASN A 108 48.988 52.765 130.604 1.00 0.00 H new ATOM 0 HB3 ASN A 108 48.580 51.474 131.716 1.00 0.00 H new ATOM 0 HD21 ASN A 108 51.891 50.872 132.728 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.157 50.700 133.022 1.00 0.00 H new ATOM 667 N SER A 109 50.283 50.763 127.672 1.00 0.00 N ATOM 668 CA SER A 109 50.772 51.268 126.414 1.00 0.00 C ATOM 669 C SER A 109 49.763 51.090 125.312 1.00 0.00 C ATOM 670 O SER A 109 49.779 51.860 124.354 1.00 0.00 O ATOM 671 CB SER A 109 52.048 50.564 125.925 1.00 0.00 C ATOM 672 OG SER A 109 51.749 49.242 125.500 1.00 0.00 O ATOM 0 H SER A 109 50.741 49.909 127.990 1.00 0.00 H new ATOM 0 HA SER A 109 50.976 52.320 126.615 1.00 0.00 H new ATOM 0 HB2 SER A 109 52.490 51.127 125.103 1.00 0.00 H new ATOM 0 HB3 SER A 109 52.787 50.538 126.726 1.00 0.00 H new ATOM 0 HG SER A 109 51.854 48.625 126.254 1.00 0.00 H new ATOM 678 N LEU A 110 48.870 50.081 125.400 1.00 0.00 N ATOM 679 CA LEU A 110 47.957 49.783 124.320 1.00 0.00 C ATOM 680 C LEU A 110 46.811 50.747 124.279 1.00 0.00 C ATOM 681 O LEU A 110 46.534 51.458 125.241 1.00 0.00 O ATOM 682 CB LEU A 110 47.318 48.382 124.383 1.00 0.00 C ATOM 683 CG LEU A 110 48.306 47.214 124.212 1.00 0.00 C ATOM 684 CD1 LEU A 110 49.214 47.046 125.437 1.00 0.00 C ATOM 685 CD2 LEU A 110 47.574 45.923 123.824 1.00 0.00 C ATOM 0 H LEU A 110 48.776 49.471 126.212 1.00 0.00 H new ATOM 0 HA LEU A 110 48.593 49.852 123.437 1.00 0.00 H new ATOM 0 HB2 LEU A 110 46.810 48.272 125.341 1.00 0.00 H new ATOM 0 HB3 LEU A 110 46.555 48.311 123.608 1.00 0.00 H new ATOM 0 HG LEU A 110 48.971 47.457 123.383 1.00 0.00 H new ATOM 0 HD11 LEU A 110 49.895 46.211 125.273 1.00 0.00 H new ATOM 0 HD12 LEU A 110 49.790 47.959 125.591 1.00 0.00 H new ATOM 0 HD13 LEU A 110 48.603 46.849 126.318 1.00 0.00 H new ATOM 0 HD21 LEU A 110 48.297 45.115 123.710 1.00 0.00 H new ATOM 0 HD22 LEU A 110 46.858 45.662 124.604 1.00 0.00 H new ATOM 0 HD23 LEU A 110 47.046 46.073 122.882 1.00 0.00 H new ATOM 697 N THR A 111 46.129 50.791 123.112 1.00 0.00 N ATOM 698 CA THR A 111 44.966 51.609 122.912 1.00 0.00 C ATOM 699 C THR A 111 43.785 50.840 123.413 1.00 0.00 C ATOM 700 O THR A 111 43.896 49.677 123.800 1.00 0.00 O ATOM 701 CB THR A 111 44.711 51.945 121.470 1.00 0.00 C ATOM 702 OG1 THR A 111 44.542 50.756 120.710 1.00 0.00 O ATOM 703 CG2 THR A 111 45.897 52.759 120.933 1.00 0.00 C ATOM 0 H THR A 111 46.393 50.246 122.291 1.00 0.00 H new ATOM 0 HA THR A 111 45.129 52.548 123.442 1.00 0.00 H new ATOM 0 HB THR A 111 43.797 52.533 121.386 1.00 0.00 H new ATOM 0 HG1 THR A 111 44.771 50.931 119.773 1.00 0.00 H new ATOM 0 HG21 THR A 111 45.723 53.009 119.886 1.00 0.00 H new ATOM 0 HG22 THR A 111 46.001 53.676 121.512 1.00 0.00 H new ATOM 0 HG23 THR A 111 46.811 52.171 121.018 1.00 0.00 H new ATOM 711 N PRO A 112 42.647 51.478 123.441 1.00 0.00 N ATOM 712 CA PRO A 112 41.466 50.831 123.935 1.00 0.00 C ATOM 713 C PRO A 112 41.083 49.647 123.102 1.00 0.00 C ATOM 714 O PRO A 112 40.604 48.657 123.653 1.00 0.00 O ATOM 715 CB PRO A 112 40.406 51.931 124.007 1.00 0.00 C ATOM 716 CG PRO A 112 41.229 53.216 124.231 1.00 0.00 C ATOM 717 CD PRO A 112 42.584 52.925 123.565 1.00 0.00 C ATOM 0 HA PRO A 112 41.611 50.392 124.922 1.00 0.00 H new ATOM 0 HB2 PRO A 112 39.821 51.985 123.089 1.00 0.00 H new ATOM 0 HB3 PRO A 112 39.704 51.758 124.822 1.00 0.00 H new ATOM 0 HG2 PRO A 112 40.743 54.082 123.781 1.00 0.00 H new ATOM 0 HG3 PRO A 112 41.347 53.432 125.293 1.00 0.00 H new ATOM 0 HD2 PRO A 112 42.655 53.407 122.590 1.00 0.00 H new ATOM 0 HD3 PRO A 112 43.409 53.304 124.168 1.00 0.00 H new ATOM 725 N GLU A 113 41.279 49.743 121.774 1.00 0.00 N ATOM 726 CA GLU A 113 40.946 48.718 120.826 1.00 0.00 C ATOM 727 C GLU A 113 41.827 47.534 121.025 1.00 0.00 C ATOM 728 O GLU A 113 41.371 46.391 121.013 1.00 0.00 O ATOM 729 CB GLU A 113 41.192 49.206 119.388 1.00 0.00 C ATOM 730 CG GLU A 113 40.944 48.159 118.302 1.00 0.00 C ATOM 731 CD GLU A 113 41.421 48.765 116.987 1.00 0.00 C ATOM 732 OE1 GLU A 113 40.626 49.510 116.353 1.00 0.00 O ATOM 733 OE2 GLU A 113 42.592 48.499 116.603 1.00 0.00 O ATOM 0 H GLU A 113 41.687 50.571 121.340 1.00 0.00 H new ATOM 0 HA GLU A 113 39.896 48.466 120.976 1.00 0.00 H new ATOM 0 HB2 GLU A 113 40.550 50.066 119.197 1.00 0.00 H new ATOM 0 HB3 GLU A 113 42.222 49.553 119.309 1.00 0.00 H new ATOM 0 HG2 GLU A 113 41.485 47.239 118.522 1.00 0.00 H new ATOM 0 HG3 GLU A 113 39.886 47.902 118.248 1.00 0.00 H new ATOM 740 N GLN A 114 43.130 47.807 121.208 1.00 0.00 N ATOM 741 CA GLN A 114 44.132 46.793 121.334 1.00 0.00 C ATOM 742 C GLN A 114 43.914 46.039 122.603 1.00 0.00 C ATOM 743 O GLN A 114 44.107 44.827 122.654 1.00 0.00 O ATOM 744 CB GLN A 114 45.551 47.378 121.335 1.00 0.00 C ATOM 745 CG GLN A 114 45.867 48.108 120.027 1.00 0.00 C ATOM 746 CD GLN A 114 47.286 48.640 120.109 1.00 0.00 C ATOM 747 OE1 GLN A 114 47.916 48.607 121.165 1.00 0.00 O ATOM 748 NE2 GLN A 114 47.815 49.132 118.958 1.00 0.00 N ATOM 0 H GLN A 114 43.498 48.756 121.270 1.00 0.00 H new ATOM 0 HA GLN A 114 44.044 46.132 120.471 1.00 0.00 H new ATOM 0 HB2 GLN A 114 45.659 48.068 122.172 1.00 0.00 H new ATOM 0 HB3 GLN A 114 46.274 46.577 121.488 1.00 0.00 H new ATOM 0 HG2 GLN A 114 45.764 47.430 119.180 1.00 0.00 H new ATOM 0 HG3 GLN A 114 45.164 48.925 119.869 1.00 0.00 H new ATOM 0 HE21 GLN A 114 47.258 49.141 118.104 1.00 0.00 H new ATOM 0 HE22 GLN A 114 48.769 49.492 118.948 1.00 0.00 H new ATOM 757 N GLN A 115 43.521 46.758 123.670 1.00 0.00 N ATOM 758 CA GLN A 115 43.270 46.163 124.951 1.00 0.00 C ATOM 759 C GLN A 115 42.079 45.264 124.832 1.00 0.00 C ATOM 760 O GLN A 115 42.044 44.184 125.422 1.00 0.00 O ATOM 761 CB GLN A 115 42.984 47.211 126.044 1.00 0.00 C ATOM 762 CG GLN A 115 44.199 48.084 126.369 1.00 0.00 C ATOM 763 CD GLN A 115 43.828 49.071 127.469 1.00 0.00 C ATOM 764 OE1 GLN A 115 44.750 49.271 128.448 1.00 0.00 O ATOM 765 NE2 GLN A 115 42.740 49.653 127.457 1.00 0.00 N ATOM 0 H GLN A 115 43.375 47.767 123.646 1.00 0.00 H new ATOM 0 HA GLN A 115 44.165 45.614 125.243 1.00 0.00 H new ATOM 0 HB2 GLN A 115 42.161 47.849 125.721 1.00 0.00 H new ATOM 0 HB3 GLN A 115 42.656 46.702 126.951 1.00 0.00 H new ATOM 0 HG2 GLN A 115 45.034 47.461 126.690 1.00 0.00 H new ATOM 0 HG3 GLN A 115 44.525 48.620 125.478 1.00 0.00 H new ATOM 0 HE21 GLN A 115 42.075 49.475 126.704 1.00 0.00 H new ATOM 0 HE22 GLN A 115 42.506 50.312 128.200 1.00 0.00 H new ATOM 774 N ARG A 116 41.075 45.677 124.039 1.00 0.00 N ATOM 775 CA ARG A 116 39.887 44.885 123.910 1.00 0.00 C ATOM 776 C ARG A 116 40.258 43.540 123.377 1.00 0.00 C ATOM 777 O ARG A 116 39.717 42.527 123.815 1.00 0.00 O ATOM 778 CB ARG A 116 38.853 45.457 122.932 1.00 0.00 C ATOM 779 CG ARG A 116 37.735 44.447 122.666 1.00 0.00 C ATOM 780 CD ARG A 116 36.963 44.694 121.372 1.00 0.00 C ATOM 781 NE ARG A 116 36.267 43.419 121.033 1.00 0.00 N ATOM 782 CZ ARG A 116 34.917 43.284 121.174 1.00 0.00 C ATOM 783 NH1 ARG A 116 34.159 44.346 121.569 1.00 0.00 N ATOM 784 NH2 ARG A 116 34.330 42.081 120.912 1.00 0.00 N ATOM 0 H ARG A 116 41.081 46.541 123.496 1.00 0.00 H new ATOM 0 HA ARG A 116 39.444 44.858 124.905 1.00 0.00 H new ATOM 0 HB2 ARG A 116 38.430 46.375 123.340 1.00 0.00 H new ATOM 0 HB3 ARG A 116 39.341 45.721 121.994 1.00 0.00 H new ATOM 0 HG2 ARG A 116 38.165 43.446 122.634 1.00 0.00 H new ATOM 0 HG3 ARG A 116 37.036 44.467 123.502 1.00 0.00 H new ATOM 0 HD2 ARG A 116 36.245 45.504 121.499 1.00 0.00 H new ATOM 0 HD3 ARG A 116 37.639 44.990 120.570 1.00 0.00 H new ATOM 0 HE ARG A 116 36.813 42.630 120.688 1.00 0.00 H new ATOM 0 HH11 ARG A 116 34.601 45.245 121.760 1.00 0.00 H new ATOM 0 HH12 ARG A 116 33.150 44.241 121.673 1.00 0.00 H new ATOM 0 HH21 ARG A 116 34.900 41.290 120.613 1.00 0.00 H new ATOM 0 HH22 ARG A 116 33.321 41.973 121.015 1.00 0.00 H new ATOM 798 N ASP A 117 41.192 43.496 122.413 1.00 0.00 N ATOM 799 CA ASP A 117 41.573 42.256 121.807 1.00 0.00 C ATOM 800 C ASP A 117 42.153 41.358 122.861 1.00 0.00 C ATOM 801 O ASP A 117 41.833 40.172 122.911 1.00 0.00 O ATOM 802 CB ASP A 117 42.630 42.448 120.708 1.00 0.00 C ATOM 803 CG ASP A 117 42.788 41.159 119.911 1.00 0.00 C ATOM 804 OD1 ASP A 117 42.592 40.057 120.487 1.00 0.00 O ATOM 805 OD2 ASP A 117 43.117 41.264 118.698 1.00 0.00 O ATOM 0 H ASP A 117 41.683 44.314 122.053 1.00 0.00 H new ATOM 0 HA ASP A 117 40.681 41.822 121.354 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.335 43.262 120.046 1.00 0.00 H new ATOM 0 HB3 ASP A 117 43.584 42.730 121.154 1.00 0.00 H new ATOM 810 N VAL A 118 43.012 41.907 123.742 1.00 0.00 N ATOM 811 CA VAL A 118 43.687 41.114 124.737 1.00 0.00 C ATOM 812 C VAL A 118 42.714 40.470 125.695 1.00 0.00 C ATOM 813 O VAL A 118 42.740 39.256 125.893 1.00 0.00 O ATOM 814 CB VAL A 118 44.621 41.939 125.569 1.00 0.00 C ATOM 815 CG1 VAL A 118 45.189 41.045 126.683 1.00 0.00 C ATOM 816 CG2 VAL A 118 45.692 42.567 124.660 1.00 0.00 C ATOM 0 H VAL A 118 43.242 42.900 123.769 1.00 0.00 H new ATOM 0 HA VAL A 118 44.237 40.357 124.177 1.00 0.00 H new ATOM 0 HB VAL A 118 44.112 42.772 126.054 1.00 0.00 H new ATOM 0 HG11 VAL A 118 45.873 41.626 127.302 1.00 0.00 H new ATOM 0 HG12 VAL A 118 44.372 40.668 127.299 1.00 0.00 H new ATOM 0 HG13 VAL A 118 45.725 40.206 126.239 1.00 0.00 H new ATOM 0 HG21 VAL A 118 46.373 43.168 125.262 1.00 0.00 H new ATOM 0 HG22 VAL A 118 46.251 41.778 124.158 1.00 0.00 H new ATOM 0 HG23 VAL A 118 45.211 43.201 123.915 1.00 0.00 H new ATOM 826 N ILE A 119 41.792 41.258 126.278 1.00 0.00 N ATOM 827 CA ILE A 119 40.900 40.768 127.298 1.00 0.00 C ATOM 828 C ILE A 119 40.067 39.659 126.751 1.00 0.00 C ATOM 829 O ILE A 119 39.726 38.725 127.474 1.00 0.00 O ATOM 830 CB ILE A 119 39.965 41.815 127.822 1.00 0.00 C ATOM 831 CG1 ILE A 119 39.029 42.319 126.710 1.00 0.00 C ATOM 832 CG2 ILE A 119 40.824 42.915 128.464 1.00 0.00 C ATOM 833 CD1 ILE A 119 37.886 43.190 127.227 1.00 0.00 C ATOM 0 H ILE A 119 41.660 42.242 126.045 1.00 0.00 H new ATOM 0 HA ILE A 119 41.537 40.435 128.117 1.00 0.00 H new ATOM 0 HB ILE A 119 39.296 41.414 128.584 1.00 0.00 H new ATOM 0 HG12 ILE A 119 39.611 42.889 125.986 1.00 0.00 H new ATOM 0 HG13 ILE A 119 38.612 41.462 126.180 1.00 0.00 H new ATOM 0 HG21 ILE A 119 40.177 43.698 128.859 1.00 0.00 H new ATOM 0 HG22 ILE A 119 41.414 42.489 129.275 1.00 0.00 H new ATOM 0 HG23 ILE A 119 41.492 43.339 127.714 1.00 0.00 H new ATOM 0 HD11 ILE A 119 37.266 43.511 126.390 1.00 0.00 H new ATOM 0 HD12 ILE A 119 37.280 42.617 127.929 1.00 0.00 H new ATOM 0 HD13 ILE A 119 38.295 44.065 127.731 1.00 0.00 H new ATOM 845 N ALA A 120 39.691 39.766 125.468 1.00 0.00 N ATOM 846 CA ALA A 120 38.846 38.829 124.784 1.00 0.00 C ATOM 847 C ALA A 120 39.481 37.475 124.682 1.00 0.00 C ATOM 848 O ALA A 120 38.768 36.477 124.619 1.00 0.00 O ATOM 849 CB ALA A 120 38.495 39.278 123.356 1.00 0.00 C ATOM 0 H ALA A 120 39.988 40.541 124.875 1.00 0.00 H new ATOM 0 HA ALA A 120 37.939 38.781 125.386 1.00 0.00 H new ATOM 0 HB1 ALA A 120 37.854 38.531 122.887 1.00 0.00 H new ATOM 0 HB2 ALA A 120 37.972 40.233 123.393 1.00 0.00 H new ATOM 0 HB3 ALA A 120 39.410 39.388 122.774 1.00 0.00 H new ATOM 855 N ARG A 121 40.826 37.404 124.618 1.00 0.00 N ATOM 856 CA ARG A 121 41.572 36.195 124.374 1.00 0.00 C ATOM 857 C ARG A 121 41.319 35.150 125.425 1.00 0.00 C ATOM 858 O ARG A 121 40.783 35.425 126.498 1.00 0.00 O ATOM 859 CB ARG A 121 43.088 36.455 124.289 1.00 0.00 C ATOM 860 CG ARG A 121 43.447 37.396 123.134 1.00 0.00 C ATOM 861 CD ARG A 121 44.911 37.849 123.126 1.00 0.00 C ATOM 862 NE ARG A 121 45.110 38.767 121.965 1.00 0.00 N ATOM 863 CZ ARG A 121 46.177 39.621 121.946 1.00 0.00 C ATOM 864 NH1 ARG A 121 47.048 39.642 122.997 1.00 0.00 N ATOM 865 NH2 ARG A 121 46.377 40.453 120.881 1.00 0.00 N ATOM 0 H ARG A 121 41.423 38.222 124.741 1.00 0.00 H new ATOM 0 HA ARG A 121 41.219 35.825 123.411 1.00 0.00 H new ATOM 0 HB2 ARG A 121 43.435 36.886 125.228 1.00 0.00 H new ATOM 0 HB3 ARG A 121 43.611 35.508 124.160 1.00 0.00 H new ATOM 0 HG2 ARG A 121 43.228 36.896 122.191 1.00 0.00 H new ATOM 0 HG3 ARG A 121 42.806 38.276 123.184 1.00 0.00 H new ATOM 0 HD2 ARG A 121 45.157 38.357 124.059 1.00 0.00 H new ATOM 0 HD3 ARG A 121 45.575 36.988 123.048 1.00 0.00 H new ATOM 0 HE ARG A 121 44.450 38.757 121.187 1.00 0.00 H new ATOM 0 HH11 ARG A 121 46.901 39.022 123.793 1.00 0.00 H new ATOM 0 HH12 ARG A 121 47.845 40.278 122.986 1.00 0.00 H new ATOM 0 HH21 ARG A 121 45.728 40.439 120.094 1.00 0.00 H new ATOM 0 HH22 ARG A 121 47.175 41.088 120.873 1.00 0.00 H new ATOM 879 N THR A 122 41.685 33.887 125.101 1.00 0.00 N ATOM 880 CA THR A 122 41.411 32.793 125.982 1.00 0.00 C ATOM 881 C THR A 122 42.367 32.790 127.136 1.00 0.00 C ATOM 882 O THR A 122 43.578 32.938 126.972 1.00 0.00 O ATOM 883 CB THR A 122 41.468 31.443 125.315 1.00 0.00 C ATOM 884 OG1 THR A 122 40.836 30.478 126.142 1.00 0.00 O ATOM 885 CG2 THR A 122 42.936 31.045 125.093 1.00 0.00 C ATOM 0 H THR A 122 42.165 33.631 124.238 1.00 0.00 H new ATOM 0 HA THR A 122 40.387 32.951 126.322 1.00 0.00 H new ATOM 0 HB THR A 122 40.954 31.490 124.355 1.00 0.00 H new ATOM 0 HG1 THR A 122 40.872 29.601 125.707 1.00 0.00 H new ATOM 0 HG21 THR A 122 42.979 30.069 124.611 1.00 0.00 H new ATOM 0 HG22 THR A 122 43.422 31.786 124.458 1.00 0.00 H new ATOM 0 HG23 THR A 122 43.450 30.998 126.053 1.00 0.00 H new ATOM 893 N PHE A 123 41.821 32.636 128.356 1.00 0.00 N ATOM 894 CA PHE A 123 42.634 32.520 129.530 1.00 0.00 C ATOM 895 C PHE A 123 42.445 31.108 129.972 1.00 0.00 C ATOM 896 O PHE A 123 41.350 30.736 130.392 1.00 0.00 O ATOM 897 CB PHE A 123 42.182 33.429 130.687 1.00 0.00 C ATOM 898 CG PHE A 123 42.487 34.841 130.314 1.00 0.00 C ATOM 899 CD1 PHE A 123 41.729 35.503 129.375 1.00 0.00 C ATOM 900 CD2 PHE A 123 43.527 35.507 130.921 1.00 0.00 C ATOM 901 CE1 PHE A 123 42.016 36.804 129.034 1.00 0.00 C ATOM 902 CE2 PHE A 123 43.818 36.808 130.584 1.00 0.00 C ATOM 903 CZ PHE A 123 43.059 37.460 129.642 1.00 0.00 C ATOM 0 H PHE A 123 40.817 32.592 128.531 1.00 0.00 H new ATOM 0 HA PHE A 123 43.659 32.805 129.293 1.00 0.00 H new ATOM 0 HB2 PHE A 123 41.115 33.306 130.873 1.00 0.00 H new ATOM 0 HB3 PHE A 123 42.699 33.158 131.608 1.00 0.00 H new ATOM 0 HD1 PHE A 123 40.901 34.996 128.902 1.00 0.00 H new ATOM 0 HD2 PHE A 123 44.120 35.003 131.669 1.00 0.00 H new ATOM 0 HE1 PHE A 123 41.421 37.310 128.288 1.00 0.00 H new ATOM 0 HE2 PHE A 123 44.643 37.317 131.060 1.00 0.00 H new ATOM 0 HZ PHE A 123 43.281 38.484 129.381 1.00 0.00 H new ATOM 913 N THR A 124 43.511 30.286 129.905 1.00 0.00 N ATOM 914 CA THR A 124 43.331 28.903 130.235 1.00 0.00 C ATOM 915 C THR A 124 43.046 28.748 131.695 1.00 0.00 C ATOM 916 O THR A 124 43.862 29.087 132.552 1.00 0.00 O ATOM 917 CB THR A 124 44.521 28.059 129.891 1.00 0.00 C ATOM 918 OG1 THR A 124 45.682 28.600 130.506 1.00 0.00 O ATOM 919 CG2 THR A 124 44.692 28.019 128.365 1.00 0.00 C ATOM 0 H THR A 124 44.456 30.560 129.636 1.00 0.00 H new ATOM 0 HA THR A 124 42.487 28.558 129.637 1.00 0.00 H new ATOM 0 HB THR A 124 44.372 27.043 130.257 1.00 0.00 H new ATOM 0 HG1 THR A 124 45.462 28.899 131.413 1.00 0.00 H new ATOM 0 HG21 THR A 124 45.557 27.406 128.112 1.00 0.00 H new ATOM 0 HG22 THR A 124 43.798 27.592 127.910 1.00 0.00 H new ATOM 0 HG23 THR A 124 44.842 29.031 127.989 1.00 0.00 H new ATOM 927 N GLU A 125 41.828 28.263 132.001 1.00 0.00 N ATOM 928 CA GLU A 125 41.398 27.970 133.335 1.00 0.00 C ATOM 929 C GLU A 125 42.061 26.725 133.839 1.00 0.00 C ATOM 930 O GLU A 125 42.462 26.653 135.003 1.00 0.00 O ATOM 931 CB GLU A 125 39.876 27.775 133.430 1.00 0.00 C ATOM 932 CG GLU A 125 39.322 26.790 132.401 1.00 0.00 C ATOM 933 CD GLU A 125 39.275 27.519 131.065 1.00 0.00 C ATOM 934 OE1 GLU A 125 39.322 28.778 131.082 1.00 0.00 O ATOM 935 OE2 GLU A 125 39.208 26.828 130.015 1.00 0.00 O ATOM 0 H GLU A 125 41.118 28.068 131.295 1.00 0.00 H new ATOM 0 HA GLU A 125 41.680 28.829 133.943 1.00 0.00 H new ATOM 0 HB2 GLU A 125 39.625 27.423 134.430 1.00 0.00 H new ATOM 0 HB3 GLU A 125 39.385 28.739 133.299 1.00 0.00 H new ATOM 0 HG2 GLU A 125 39.955 25.905 132.335 1.00 0.00 H new ATOM 0 HG3 GLU A 125 38.327 26.450 132.690 1.00 0.00 H new ATOM 942 N SER A 126 42.206 25.703 132.980 1.00 0.00 N ATOM 943 CA SER A 126 42.731 24.462 133.468 1.00 0.00 C ATOM 944 C SER A 126 43.760 23.967 132.508 1.00 0.00 C ATOM 945 O SER A 126 43.947 24.526 131.427 1.00 0.00 O ATOM 946 CB SER A 126 41.651 23.371 133.584 1.00 0.00 C ATOM 947 OG SER A 126 42.212 22.166 134.084 1.00 0.00 O ATOM 0 H SER A 126 41.972 25.726 131.987 1.00 0.00 H new ATOM 0 HA SER A 126 43.143 24.652 134.459 1.00 0.00 H new ATOM 0 HB2 SER A 126 40.854 23.710 134.245 1.00 0.00 H new ATOM 0 HB3 SER A 126 41.201 23.192 132.608 1.00 0.00 H new ATOM 0 HG SER A 126 41.512 21.483 134.153 1.00 0.00 H new ATOM 953 N LEU A 127 44.489 22.909 132.912 1.00 0.00 N ATOM 954 CA LEU A 127 45.473 22.335 132.049 1.00 0.00 C ATOM 955 C LEU A 127 44.913 21.019 131.545 1.00 0.00 C ATOM 956 O LEU A 127 45.638 19.995 131.667 1.00 0.00 O ATOM 957 CB LEU A 127 46.795 22.019 132.756 1.00 0.00 C ATOM 958 CG LEU A 127 47.523 23.284 133.229 1.00 0.00 C ATOM 959 CD1 LEU A 127 48.845 22.938 133.929 1.00 0.00 C ATOM 960 CD2 LEU A 127 47.698 24.276 132.070 1.00 0.00 C ATOM 961 OXT LEU A 127 43.764 21.014 131.033 1.00 0.00 O ATOM 0 H LEU A 127 44.399 22.458 133.822 1.00 0.00 H new ATOM 0 HA LEU A 127 45.683 23.058 131.261 1.00 0.00 H new ATOM 0 HB2 LEU A 127 46.600 21.374 133.612 1.00 0.00 H new ATOM 0 HB3 LEU A 127 47.442 21.463 132.078 1.00 0.00 H new ATOM 0 HG LEU A 127 46.906 23.782 133.977 1.00 0.00 H new ATOM 0 HD11 LEU A 127 49.337 23.856 134.252 1.00 0.00 H new ATOM 0 HD12 LEU A 127 48.644 22.309 134.796 1.00 0.00 H new ATOM 0 HD13 LEU A 127 49.494 22.403 133.236 1.00 0.00 H new ATOM 0 HD21 LEU A 127 48.216 25.166 132.428 1.00 0.00 H new ATOM 0 HD22 LEU A 127 48.283 23.810 131.277 1.00 0.00 H new ATOM 0 HD23 LEU A 127 46.719 24.558 131.682 1.00 0.00 H new TER 973 LEU A 127