USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 775 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 82 GLN : amide:sc= 0.402 X(o=-0.14,f=-0.052) USER MOD Set 1.2: A 85 ASN : amide:sc= 0 X(o=-0.14,f=-0.052) USER MOD Set 1.3: A 89 HIS : no HD1:sc= -0.543 X(o=-0.14,f=0.34) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 57:sc= 0.0135 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.74) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= -0.162 (180deg=-0.578) USER MOD Single : A 25 TYR OH : rot 174:sc= 1.23 USER MOD Single : A 30 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.048) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0238) USER MOD Single : A 33 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 34 THR OG1 : rot 77:sc= 0.7 USER MOD Single : A 38 GLN : amide:sc= -1.74 K(o=-1.7,f=-3) USER MOD Single : A 43 HIS : no HD1:sc= -0.611 K(o=-0.61,f=-1.3) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 144:sc= -0.2 (180deg=-1.08) USER MOD Single : A 46 ASN : amide:sc= -0.064 K(o=-0.064,f=-1.5) USER MOD Single : A 47 ASN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 50 SER OG : rot -85:sc= 0.105 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.0747 X(o=0.075,f=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -5:sc= 0.247 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 120:sc= -0.875 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 90 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.4) USER MOD Single : A 92 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.034) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 137.472 0.432 12.387 1.00 0.00 N ATOM 2 CA GLN A 1 136.946 -0.883 11.927 1.00 0.00 C ATOM 3 C GLN A 1 138.028 -1.688 11.207 1.00 0.00 C ATOM 4 O GLN A 1 138.619 -2.602 11.784 1.00 0.00 O ATOM 5 CB GLN A 1 135.748 -0.639 11.000 1.00 0.00 C ATOM 6 CG GLN A 1 134.474 -0.255 11.738 1.00 0.00 C ATOM 7 CD GLN A 1 133.280 -0.129 10.813 1.00 0.00 C ATOM 8 OE1 GLN A 1 133.001 0.947 10.285 1.00 0.00 O ATOM 9 NE2 GLN A 1 132.565 -1.231 10.612 1.00 0.00 N ATOM 0 H1 GLN A 1 136.717 0.957 12.872 1.00 0.00 H new ATOM 0 H2 GLN A 1 138.264 0.279 13.043 1.00 0.00 H new ATOM 0 H3 GLN A 1 137.803 0.980 11.567 1.00 0.00 H new ATOM 0 HA GLN A 1 136.630 -1.465 12.792 1.00 0.00 H new ATOM 0 HB2 GLN A 1 136.001 0.152 10.294 1.00 0.00 H new ATOM 0 HB3 GLN A 1 135.562 -1.540 10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 1 134.261 -1.004 12.501 1.00 0.00 H new ATOM 0 HG3 GLN A 1 134.630 0.692 12.255 1.00 0.00 H new ATOM 0 HE21 GLN A 1 132.832 -2.103 11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 1 131.750 -1.205 10.000 1.00 0.00 H new ATOM 17 N SER A 2 138.283 -1.339 9.949 1.00 0.00 N ATOM 18 CA SER A 2 139.293 -2.023 9.146 1.00 0.00 C ATOM 19 C SER A 2 139.552 -1.257 7.850 1.00 0.00 C ATOM 20 O SER A 2 139.042 -1.621 6.789 1.00 0.00 O ATOM 21 CB SER A 2 138.853 -3.462 8.839 1.00 0.00 C ATOM 22 OG SER A 2 137.484 -3.515 8.469 1.00 0.00 O ATOM 0 H SER A 2 137.802 -0.583 9.462 1.00 0.00 H new ATOM 0 HA SER A 2 140.220 -2.061 9.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 139.465 -3.868 8.034 1.00 0.00 H new ATOM 0 HB3 SER A 2 139.020 -4.090 9.714 1.00 0.00 H new ATOM 0 HG SER A 2 137.330 -2.927 7.700 1.00 0.00 H new ATOM 28 N ASP A 3 140.340 -0.186 7.947 1.00 0.00 N ATOM 29 CA ASP A 3 140.659 0.640 6.786 1.00 0.00 C ATOM 30 C ASP A 3 141.879 1.522 7.055 1.00 0.00 C ATOM 31 O ASP A 3 141.788 2.526 7.764 1.00 0.00 O ATOM 32 CB ASP A 3 139.455 1.509 6.410 1.00 0.00 C ATOM 33 CG ASP A 3 139.471 1.919 4.952 1.00 0.00 C ATOM 34 OD1 ASP A 3 139.193 1.058 4.091 1.00 0.00 O ATOM 35 OD2 ASP A 3 139.767 3.099 4.671 1.00 0.00 O ATOM 0 H ASP A 3 140.768 0.128 8.818 1.00 0.00 H new ATOM 0 HA ASP A 3 140.896 -0.023 5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 3 138.536 0.962 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 3 139.445 2.402 7.035 1.00 0.00 H new ATOM 40 N VAL A 4 143.021 1.138 6.483 1.00 0.00 N ATOM 41 CA VAL A 4 144.262 1.889 6.656 1.00 0.00 C ATOM 42 C VAL A 4 144.525 2.799 5.455 1.00 0.00 C ATOM 43 O VAL A 4 144.441 2.362 4.305 1.00 0.00 O ATOM 44 CB VAL A 4 145.473 0.947 6.855 1.00 0.00 C ATOM 45 CG1 VAL A 4 146.711 1.738 7.252 1.00 0.00 C ATOM 46 CG2 VAL A 4 145.162 -0.121 7.897 1.00 0.00 C ATOM 0 H VAL A 4 143.111 0.309 5.895 1.00 0.00 H new ATOM 0 HA VAL A 4 144.141 2.499 7.551 1.00 0.00 H new ATOM 0 HB VAL A 4 145.675 0.449 5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 4 147.551 1.056 7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 4 146.950 2.457 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 4 146.520 2.268 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 4 146.028 -0.772 8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 4 144.928 0.356 8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 4 144.307 -0.712 7.568 1.00 0.00 H new ATOM 56 N ARG A 5 144.844 4.066 5.732 1.00 0.00 N ATOM 57 CA ARG A 5 145.120 5.041 4.678 1.00 0.00 C ATOM 58 C ARG A 5 146.607 5.052 4.321 1.00 0.00 C ATOM 59 O ARG A 5 147.433 5.570 5.075 1.00 0.00 O ATOM 60 CB ARG A 5 144.675 6.442 5.118 1.00 0.00 C ATOM 61 CG ARG A 5 144.094 7.281 3.988 1.00 0.00 C ATOM 62 CD ARG A 5 143.295 8.463 4.522 1.00 0.00 C ATOM 63 NE ARG A 5 143.253 9.577 3.573 1.00 0.00 N ATOM 64 CZ ARG A 5 142.637 10.740 3.808 1.00 0.00 C ATOM 65 NH1 ARG A 5 142.012 10.952 4.962 1.00 0.00 N ATOM 66 NH2 ARG A 5 142.648 11.695 2.884 1.00 0.00 N ATOM 0 H ARG A 5 144.917 4.439 6.678 1.00 0.00 H new ATOM 0 HA ARG A 5 144.555 4.751 3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 5 143.930 6.346 5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 5 145.528 6.967 5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 5 144.901 7.644 3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 5 143.452 6.659 3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 5 142.278 8.140 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 5 143.735 8.803 5.459 1.00 0.00 H new ATOM 0 HE ARG A 5 143.723 9.458 2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 5 142.000 10.224 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 5 141.545 11.842 5.133 1.00 0.00 H new ATOM 0 HH21 ARG A 5 143.126 11.540 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 5 142.178 12.583 3.062 1.00 0.00 H new ATOM 80 N ILE A 6 146.941 4.474 3.166 1.00 0.00 N ATOM 81 CA ILE A 6 148.328 4.415 2.706 1.00 0.00 C ATOM 82 C ILE A 6 148.539 5.306 1.481 1.00 0.00 C ATOM 83 O ILE A 6 147.731 5.297 0.549 1.00 0.00 O ATOM 84 CB ILE A 6 148.748 2.968 2.358 1.00 0.00 C ATOM 85 CG1 ILE A 6 148.370 2.006 3.490 1.00 0.00 C ATOM 86 CG2 ILE A 6 150.245 2.894 2.078 1.00 0.00 C ATOM 87 CD1 ILE A 6 147.398 0.928 3.066 1.00 0.00 C ATOM 0 H ILE A 6 146.269 4.040 2.533 1.00 0.00 H new ATOM 0 HA ILE A 6 148.949 4.776 3.526 1.00 0.00 H new ATOM 0 HB ILE A 6 148.213 2.668 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 6 149.275 1.537 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 6 147.933 2.576 4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 6 150.519 1.867 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 6 150.491 3.544 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 6 150.797 3.218 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 6 147.175 0.284 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 6 146.477 1.389 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 6 147.840 0.333 2.267 1.00 0.00 H new ATOM 99 N LYS A 7 149.633 6.070 1.491 1.00 0.00 N ATOM 100 CA LYS A 7 149.963 6.967 0.384 1.00 0.00 C ATOM 101 C LYS A 7 151.093 6.383 -0.467 1.00 0.00 C ATOM 102 O LYS A 7 152.188 6.118 0.032 1.00 0.00 O ATOM 103 CB LYS A 7 150.357 8.346 0.925 1.00 0.00 C ATOM 104 CG LYS A 7 150.640 9.376 -0.156 1.00 0.00 C ATOM 105 CD LYS A 7 151.199 10.662 0.432 1.00 0.00 C ATOM 106 CE LYS A 7 150.132 11.742 0.535 1.00 0.00 C ATOM 107 NZ LYS A 7 150.719 13.077 0.839 1.00 0.00 N ATOM 0 H LYS A 7 150.307 6.085 2.257 1.00 0.00 H new ATOM 0 HA LYS A 7 149.083 7.076 -0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 7 149.556 8.716 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 7 151.242 8.240 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 7 151.349 8.965 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 7 149.722 9.593 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 7 151.611 10.461 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 7 152.020 11.020 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 7 149.577 11.794 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 7 149.418 11.474 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 149.959 13.784 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 151.227 13.035 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 151.381 13.345 0.083 1.00 0.00 H new ATOM 121 N PHE A 8 150.814 6.181 -1.755 1.00 0.00 N ATOM 122 CA PHE A 8 151.799 5.621 -2.683 1.00 0.00 C ATOM 123 C PHE A 8 152.459 6.721 -3.514 1.00 0.00 C ATOM 124 O PHE A 8 151.801 7.681 -3.915 1.00 0.00 O ATOM 125 CB PHE A 8 151.129 4.602 -3.612 1.00 0.00 C ATOM 126 CG PHE A 8 150.721 3.324 -2.926 1.00 0.00 C ATOM 127 CD1 PHE A 8 149.761 3.331 -1.924 1.00 0.00 C ATOM 128 CD2 PHE A 8 151.295 2.116 -3.289 1.00 0.00 C ATOM 129 CE1 PHE A 8 149.386 2.158 -1.297 1.00 0.00 C ATOM 130 CE2 PHE A 8 150.923 0.940 -2.666 1.00 0.00 C ATOM 131 CZ PHE A 8 149.967 0.961 -1.669 1.00 0.00 C ATOM 0 H PHE A 8 149.913 6.397 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 8 152.570 5.123 -2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 8 150.247 5.059 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 8 151.813 4.363 -4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 8 149.302 4.264 -1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 8 152.042 2.093 -4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 8 148.639 2.177 -0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 8 151.379 0.006 -2.958 1.00 0.00 H new ATOM 0 HZ PHE A 8 149.674 0.043 -1.181 1.00 0.00 H new ATOM 141 N GLU A 9 153.763 6.571 -3.772 1.00 0.00 N ATOM 142 CA GLU A 9 154.513 7.553 -4.556 1.00 0.00 C ATOM 143 C GLU A 9 155.347 6.874 -5.646 1.00 0.00 C ATOM 144 O GLU A 9 156.151 5.984 -5.361 1.00 0.00 O ATOM 145 CB GLU A 9 155.425 8.378 -3.641 1.00 0.00 C ATOM 146 CG GLU A 9 155.005 9.836 -3.514 1.00 0.00 C ATOM 147 CD GLU A 9 154.406 10.157 -2.158 1.00 0.00 C ATOM 148 OE1 GLU A 9 153.255 9.748 -1.908 1.00 0.00 O ATOM 149 OE2 GLU A 9 155.087 10.819 -1.347 1.00 0.00 O ATOM 0 H GLU A 9 154.319 5.779 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 9 153.793 8.214 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 9 155.437 7.925 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 9 156.445 8.335 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 9 155.871 10.475 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 9 154.278 10.070 -4.292 1.00 0.00 H new ATOM 156 N HIS A 10 155.155 7.311 -6.894 1.00 0.00 N ATOM 157 CA HIS A 10 155.891 6.759 -8.031 1.00 0.00 C ATOM 158 C HIS A 10 156.099 7.823 -9.107 1.00 0.00 C ATOM 159 O HIS A 10 155.133 8.338 -9.673 1.00 0.00 O ATOM 160 CB HIS A 10 155.148 5.556 -8.622 1.00 0.00 C ATOM 161 CG HIS A 10 155.924 4.828 -9.678 1.00 0.00 C ATOM 162 ND1 HIS A 10 155.384 4.466 -10.895 1.00 0.00 N ATOM 163 CD2 HIS A 10 157.207 4.391 -9.695 1.00 0.00 C ATOM 164 CE1 HIS A 10 156.298 3.837 -11.612 1.00 0.00 C ATOM 165 NE2 HIS A 10 157.412 3.780 -10.907 1.00 0.00 N ATOM 0 H HIS A 10 154.494 8.047 -7.141 1.00 0.00 H new ATOM 0 HA HIS A 10 156.866 6.428 -7.673 1.00 0.00 H new ATOM 0 HB2 HIS A 10 154.904 4.861 -7.819 1.00 0.00 H new ATOM 0 HB3 HIS A 10 154.204 5.896 -9.047 1.00 0.00 H new ATOM 0 HD2 HIS A 10 157.933 4.503 -8.903 1.00 0.00 H new ATOM 0 HE1 HIS A 10 156.157 3.438 -12.606 1.00 0.00 H new ATOM 0 HE2 HIS A 10 158.285 3.351 -11.213 1.00 0.00 H new ATOM 174 N ASN A 11 157.366 8.146 -9.382 1.00 0.00 N ATOM 175 CA ASN A 11 157.716 9.152 -10.391 1.00 0.00 C ATOM 176 C ASN A 11 157.080 10.510 -10.073 1.00 0.00 C ATOM 177 O ASN A 11 156.750 11.280 -10.977 1.00 0.00 O ATOM 178 CB ASN A 11 157.290 8.679 -11.787 1.00 0.00 C ATOM 179 CG ASN A 11 158.474 8.507 -12.720 1.00 0.00 C ATOM 180 OD1 ASN A 11 158.680 9.305 -13.634 1.00 0.00 O ATOM 181 ND2 ASN A 11 159.262 7.461 -12.492 1.00 0.00 N ATOM 0 H ASN A 11 158.170 7.724 -8.918 1.00 0.00 H new ATOM 0 HA ASN A 11 158.799 9.278 -10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 11 156.757 7.732 -11.701 1.00 0.00 H new ATOM 0 HB3 ASN A 11 156.593 9.399 -12.216 1.00 0.00 H new ATOM 0 HD21 ASN A 11 160.074 7.295 -13.086 1.00 0.00 H new ATOM 0 HD22 ASN A 11 159.054 6.824 -11.723 1.00 0.00 H new ATOM 188 N GLY A 12 156.910 10.798 -8.780 1.00 0.00 N ATOM 189 CA GLY A 12 156.312 12.057 -8.366 1.00 0.00 C ATOM 190 C GLY A 12 154.791 11.997 -8.281 1.00 0.00 C ATOM 191 O GLY A 12 154.168 12.880 -7.689 1.00 0.00 O ATOM 0 H GLY A 12 157.177 10.180 -8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 12 156.713 12.341 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 12 156.600 12.838 -9.070 1.00 0.00 H new ATOM 195 N GLU A 13 154.191 10.952 -8.861 1.00 0.00 N ATOM 196 CA GLU A 13 152.741 10.787 -8.832 1.00 0.00 C ATOM 197 C GLU A 13 152.311 10.095 -7.543 1.00 0.00 C ATOM 198 O GLU A 13 152.526 8.892 -7.372 1.00 0.00 O ATOM 199 CB GLU A 13 152.266 9.975 -10.041 1.00 0.00 C ATOM 200 CG GLU A 13 151.916 10.825 -11.253 1.00 0.00 C ATOM 201 CD GLU A 13 152.913 10.666 -12.387 1.00 0.00 C ATOM 202 OE1 GLU A 13 153.091 9.526 -12.867 1.00 0.00 O ATOM 203 OE2 GLU A 13 153.514 11.681 -12.794 1.00 0.00 O ATOM 0 H GLU A 13 154.689 10.211 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 13 152.285 11.776 -8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 13 153.045 9.266 -10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 13 151.392 9.391 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 13 150.922 10.553 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 13 151.873 11.873 -10.957 1.00 0.00 H new ATOM 210 N ARG A 14 151.707 10.861 -6.638 1.00 0.00 N ATOM 211 CA ARG A 14 151.251 10.321 -5.362 1.00 0.00 C ATOM 212 C ARG A 14 149.746 10.066 -5.382 1.00 0.00 C ATOM 213 O ARG A 14 148.986 10.821 -5.992 1.00 0.00 O ATOM 214 CB ARG A 14 151.614 11.268 -4.212 1.00 0.00 C ATOM 215 CG ARG A 14 151.051 12.675 -4.361 1.00 0.00 C ATOM 216 CD ARG A 14 152.140 13.682 -4.705 1.00 0.00 C ATOM 217 NE ARG A 14 152.363 14.639 -3.621 1.00 0.00 N ATOM 218 CZ ARG A 14 153.216 14.444 -2.609 1.00 0.00 C ATOM 219 NH1 ARG A 14 153.939 13.329 -2.537 1.00 0.00 N ATOM 220 NH2 ARG A 14 153.344 15.371 -1.666 1.00 0.00 N ATOM 0 H ARG A 14 151.523 11.856 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 14 151.757 9.369 -5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 14 151.252 10.841 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 14 152.700 11.329 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 14 150.289 12.682 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 14 150.561 12.971 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 14 153.069 13.153 -4.918 1.00 0.00 H new ATOM 0 HD3 ARG A 14 151.864 14.219 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 14 151.834 15.511 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 14 153.846 12.613 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 14 154.587 13.190 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 14 152.793 16.228 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 14 153.993 15.226 -0.893 1.00 0.00 H new ATOM 234 N ARG A 15 149.323 8.994 -4.712 1.00 0.00 N ATOM 235 CA ARG A 15 147.909 8.635 -4.652 1.00 0.00 C ATOM 236 C ARG A 15 147.535 8.073 -3.281 1.00 0.00 C ATOM 237 O ARG A 15 148.395 7.592 -2.539 1.00 0.00 O ATOM 238 CB ARG A 15 147.568 7.622 -5.751 1.00 0.00 C ATOM 239 CG ARG A 15 148.309 6.299 -5.625 1.00 0.00 C ATOM 240 CD ARG A 15 148.341 5.550 -6.948 1.00 0.00 C ATOM 241 NE ARG A 15 149.209 6.203 -7.930 1.00 0.00 N ATOM 242 CZ ARG A 15 150.543 6.130 -7.917 1.00 0.00 C ATOM 243 NH1 ARG A 15 151.171 5.438 -6.969 1.00 0.00 N ATOM 244 NH2 ARG A 15 151.251 6.752 -8.853 1.00 0.00 N ATOM 0 H ARG A 15 149.940 8.360 -4.204 1.00 0.00 H new ATOM 0 HA ARG A 15 147.328 9.543 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 15 146.495 7.429 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 15 147.796 8.063 -6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 15 149.328 6.483 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 15 147.827 5.681 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 15 148.688 4.531 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 15 147.330 5.480 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 15 148.767 6.748 -8.671 1.00 0.00 H new ATOM 0 HH11 ARG A 15 150.634 4.959 -6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 15 152.190 5.387 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 15 150.776 7.285 -9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 15 152.269 6.696 -8.843 1.00 0.00 H new ATOM 258 N ILE A 16 146.244 8.140 -2.955 1.00 0.00 N ATOM 259 CA ILE A 16 145.740 7.645 -1.677 1.00 0.00 C ATOM 260 C ILE A 16 144.781 6.475 -1.888 1.00 0.00 C ATOM 261 O ILE A 16 143.779 6.605 -2.593 1.00 0.00 O ATOM 262 CB ILE A 16 145.007 8.753 -0.890 1.00 0.00 C ATOM 263 CG1 ILE A 16 145.854 10.029 -0.833 1.00 0.00 C ATOM 264 CG2 ILE A 16 144.666 8.274 0.516 1.00 0.00 C ATOM 265 CD1 ILE A 16 145.513 11.033 -1.914 1.00 0.00 C ATOM 0 H ILE A 16 145.526 8.535 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 16 146.605 7.313 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 16 144.078 8.984 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 16 145.723 10.499 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 16 146.907 9.760 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 16 144.150 9.068 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 16 144.021 7.398 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 16 145.583 8.013 1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 16 146.152 11.910 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 16 145.672 10.581 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 16 144.469 11.332 -1.817 1.00 0.00 H new ATOM 277 N ILE A 17 145.092 5.335 -1.270 1.00 0.00 N ATOM 278 CA ILE A 17 144.252 4.147 -1.389 1.00 0.00 C ATOM 279 C ILE A 17 143.954 3.542 -0.018 1.00 0.00 C ATOM 280 O ILE A 17 144.833 3.464 0.844 1.00 0.00 O ATOM 281 CB ILE A 17 144.905 3.072 -2.288 1.00 0.00 C ATOM 282 CG1 ILE A 17 145.393 3.695 -3.600 1.00 0.00 C ATOM 283 CG2 ILE A 17 143.920 1.943 -2.567 1.00 0.00 C ATOM 284 CD1 ILE A 17 146.126 2.722 -4.499 1.00 0.00 C ATOM 0 H ILE A 17 145.918 5.211 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 17 143.319 4.470 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 17 145.766 2.658 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 17 144.537 4.101 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 17 146.052 4.532 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 17 144.395 1.194 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 17 143.618 1.483 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 17 143.042 2.343 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 17 146.441 3.234 -5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 17 147.002 2.334 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 17 145.463 1.896 -4.759 1.00 0.00 H new ATOM 296 N ALA A 18 142.705 3.116 0.173 1.00 0.00 N ATOM 297 CA ALA A 18 142.278 2.517 1.434 1.00 0.00 C ATOM 298 C ALA A 18 142.476 1.003 1.419 1.00 0.00 C ATOM 299 O ALA A 18 142.124 0.332 0.447 1.00 0.00 O ATOM 300 CB ALA A 18 140.821 2.860 1.710 1.00 0.00 C ATOM 0 H ALA A 18 141.971 3.176 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 18 142.895 2.928 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 18 140.513 2.408 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 18 140.707 3.942 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 18 140.198 2.476 0.903 1.00 0.00 H new ATOM 306 N PHE A 19 143.044 0.475 2.502 1.00 0.00 N ATOM 307 CA PHE A 19 143.294 -0.959 2.620 1.00 0.00 C ATOM 308 C PHE A 19 142.723 -1.506 3.927 1.00 0.00 C ATOM 309 O PHE A 19 143.144 -1.105 5.014 1.00 0.00 O ATOM 310 CB PHE A 19 144.799 -1.240 2.548 1.00 0.00 C ATOM 311 CG PHE A 19 145.339 -1.288 1.144 1.00 0.00 C ATOM 312 CD1 PHE A 19 145.569 -0.119 0.434 1.00 0.00 C ATOM 313 CD2 PHE A 19 145.619 -2.502 0.538 1.00 0.00 C ATOM 314 CE1 PHE A 19 146.066 -0.162 -0.855 1.00 0.00 C ATOM 315 CE2 PHE A 19 146.115 -2.550 -0.752 1.00 0.00 C ATOM 316 CZ PHE A 19 146.341 -1.379 -1.448 1.00 0.00 C ATOM 0 H PHE A 19 143.340 1.021 3.311 1.00 0.00 H new ATOM 0 HA PHE A 19 142.796 -1.461 1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 19 145.331 -0.469 3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 19 145.006 -2.190 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 19 145.357 0.835 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 19 145.448 -3.421 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 19 146.239 0.755 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 19 146.325 -3.503 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 19 146.732 -1.415 -2.454 1.00 0.00 H new ATOM 326 N SER A 20 141.763 -2.425 3.814 1.00 0.00 N ATOM 327 CA SER A 20 141.134 -3.027 4.988 1.00 0.00 C ATOM 328 C SER A 20 142.053 -4.067 5.634 1.00 0.00 C ATOM 329 O SER A 20 142.803 -4.761 4.945 1.00 0.00 O ATOM 330 CB SER A 20 139.797 -3.671 4.603 1.00 0.00 C ATOM 331 OG SER A 20 139.986 -4.747 3.699 1.00 0.00 O ATOM 0 H SER A 20 141.405 -2.768 2.922 1.00 0.00 H new ATOM 0 HA SER A 20 140.952 -2.236 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 20 139.292 -4.031 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 20 139.147 -2.922 4.150 1.00 0.00 H new ATOM 0 HG SER A 20 139.117 -5.140 3.472 1.00 0.00 H new ATOM 337 N ARG A 21 141.987 -4.167 6.963 1.00 0.00 N ATOM 338 CA ARG A 21 142.810 -5.122 7.706 1.00 0.00 C ATOM 339 C ARG A 21 142.013 -6.382 8.051 1.00 0.00 C ATOM 340 O ARG A 21 140.784 -6.339 8.144 1.00 0.00 O ATOM 341 CB ARG A 21 143.364 -4.481 8.987 1.00 0.00 C ATOM 342 CG ARG A 21 142.327 -3.726 9.808 1.00 0.00 C ATOM 343 CD ARG A 21 142.899 -3.265 11.141 1.00 0.00 C ATOM 344 NE ARG A 21 143.845 -2.158 10.985 1.00 0.00 N ATOM 345 CZ ARG A 21 144.437 -1.531 12.005 1.00 0.00 C ATOM 346 NH1 ARG A 21 144.179 -1.893 13.260 1.00 0.00 N ATOM 347 NH2 ARG A 21 145.288 -0.539 11.771 1.00 0.00 N ATOM 0 H ARG A 21 141.373 -3.599 7.546 1.00 0.00 H new ATOM 0 HA ARG A 21 143.646 -5.407 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 21 143.805 -5.261 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 21 144.167 -3.795 8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 21 141.974 -2.863 9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 21 141.463 -4.367 9.984 1.00 0.00 H new ATOM 0 HD2 ARG A 21 142.085 -2.955 11.796 1.00 0.00 H new ATOM 0 HD3 ARG A 21 143.399 -4.102 11.629 1.00 0.00 H new ATOM 0 HE ARG A 21 144.065 -1.847 10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 21 143.526 -2.654 13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 21 144.635 -1.410 14.034 1.00 0.00 H new ATOM 0 HH21 ARG A 21 145.490 -0.256 10.812 1.00 0.00 H new ATOM 0 HH22 ARG A 21 145.740 -0.060 12.550 1.00 0.00 H new ATOM 361 N PRO A 22 142.701 -7.529 8.244 1.00 0.00 N ATOM 362 CA PRO A 22 144.165 -7.620 8.142 1.00 0.00 C ATOM 363 C PRO A 22 144.659 -7.623 6.695 1.00 0.00 C ATOM 364 O PRO A 22 144.296 -8.497 5.906 1.00 0.00 O ATOM 365 CB PRO A 22 144.476 -8.957 8.815 1.00 0.00 C ATOM 366 CG PRO A 22 143.260 -9.786 8.581 1.00 0.00 C ATOM 367 CD PRO A 22 142.093 -8.832 8.583 1.00 0.00 C ATOM 0 HA PRO A 22 144.658 -6.763 8.601 1.00 0.00 H new ATOM 0 HB2 PRO A 22 145.362 -9.422 8.383 1.00 0.00 H new ATOM 0 HB3 PRO A 22 144.670 -8.829 9.880 1.00 0.00 H new ATOM 0 HG2 PRO A 22 143.327 -10.316 7.631 1.00 0.00 H new ATOM 0 HG3 PRO A 22 143.147 -10.540 9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 22 141.338 -9.123 7.853 1.00 0.00 H new ATOM 0 HD3 PRO A 22 141.602 -8.803 9.556 1.00 0.00 H new ATOM 375 N VAL A 23 145.492 -6.637 6.356 1.00 0.00 N ATOM 376 CA VAL A 23 146.041 -6.519 5.007 1.00 0.00 C ATOM 377 C VAL A 23 147.149 -7.549 4.766 1.00 0.00 C ATOM 378 O VAL A 23 148.080 -7.677 5.565 1.00 0.00 O ATOM 379 CB VAL A 23 146.583 -5.093 4.742 1.00 0.00 C ATOM 380 CG1 VAL A 23 147.751 -4.768 5.666 1.00 0.00 C ATOM 381 CG2 VAL A 23 146.988 -4.931 3.283 1.00 0.00 C ATOM 0 H VAL A 23 145.801 -5.908 7.000 1.00 0.00 H new ATOM 0 HA VAL A 23 145.225 -6.715 4.311 1.00 0.00 H new ATOM 0 HB VAL A 23 145.781 -4.386 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 23 148.111 -3.761 5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 23 147.422 -4.828 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 23 148.557 -5.483 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 23 147.366 -3.922 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 23 147.767 -5.654 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 23 146.122 -5.102 2.644 1.00 0.00 H new ATOM 391 N LYS A 24 147.036 -8.281 3.658 1.00 0.00 N ATOM 392 CA LYS A 24 148.019 -9.301 3.303 1.00 0.00 C ATOM 393 C LYS A 24 149.031 -8.758 2.298 1.00 0.00 C ATOM 394 O LYS A 24 148.666 -8.038 1.366 1.00 0.00 O ATOM 395 CB LYS A 24 147.318 -10.534 2.722 1.00 0.00 C ATOM 396 CG LYS A 24 147.450 -11.777 3.588 1.00 0.00 C ATOM 397 CD LYS A 24 146.343 -11.853 4.629 1.00 0.00 C ATOM 398 CE LYS A 24 146.896 -12.140 6.017 1.00 0.00 C ATOM 399 NZ LYS A 24 146.036 -11.570 7.092 1.00 0.00 N ATOM 0 H LYS A 24 146.271 -8.185 2.990 1.00 0.00 H new ATOM 0 HA LYS A 24 148.552 -9.586 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 24 146.260 -10.309 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 24 147.730 -10.744 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 24 147.419 -12.666 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 24 148.419 -11.773 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 24 145.792 -10.913 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 24 145.635 -12.633 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 24 146.983 -13.218 6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 24 147.901 -11.726 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 146.634 -11.231 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 145.483 -10.776 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 145.389 -12.304 7.445 1.00 0.00 H new ATOM 413 N TYR A 25 150.303 -9.115 2.490 1.00 0.00 N ATOM 414 CA TYR A 25 151.374 -8.672 1.596 1.00 0.00 C ATOM 415 C TYR A 25 151.062 -9.050 0.147 1.00 0.00 C ATOM 416 O TYR A 25 151.235 -8.240 -0.764 1.00 0.00 O ATOM 417 CB TYR A 25 152.713 -9.283 2.026 1.00 0.00 C ATOM 418 CG TYR A 25 153.895 -8.836 1.191 1.00 0.00 C ATOM 419 CD1 TYR A 25 154.265 -9.534 0.047 1.00 0.00 C ATOM 420 CD2 TYR A 25 154.640 -7.719 1.547 1.00 0.00 C ATOM 421 CE1 TYR A 25 155.343 -9.132 -0.716 1.00 0.00 C ATOM 422 CE2 TYR A 25 155.719 -7.310 0.788 1.00 0.00 C ATOM 423 CZ TYR A 25 156.067 -8.020 -0.343 1.00 0.00 C ATOM 424 OH TYR A 25 157.143 -7.619 -1.103 1.00 0.00 O ATOM 0 H TYR A 25 150.616 -9.710 3.257 1.00 0.00 H new ATOM 0 HA TYR A 25 151.445 -7.586 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 25 152.900 -9.024 3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 25 152.637 -10.369 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 25 153.700 -10.405 -0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 25 154.371 -7.161 2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 25 155.618 -9.686 -1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 25 156.288 -6.439 1.078 1.00 0.00 H new ATOM 0 HH TYR A 25 157.485 -6.767 -0.761 1.00 0.00 H new ATOM 434 N GLU A 26 150.595 -10.285 -0.054 1.00 0.00 N ATOM 435 CA GLU A 26 150.250 -10.767 -1.391 1.00 0.00 C ATOM 436 C GLU A 26 149.142 -9.914 -2.010 1.00 0.00 C ATOM 437 O GLU A 26 149.187 -9.595 -3.198 1.00 0.00 O ATOM 438 CB GLU A 26 149.807 -12.233 -1.340 1.00 0.00 C ATOM 439 CG GLU A 26 150.478 -13.108 -2.387 1.00 0.00 C ATOM 440 CD GLU A 26 149.554 -14.176 -2.941 1.00 0.00 C ATOM 441 OE1 GLU A 26 148.634 -13.827 -3.712 1.00 0.00 O ATOM 442 OE2 GLU A 26 149.752 -15.363 -2.604 1.00 0.00 O ATOM 0 H GLU A 26 150.448 -10.966 0.691 1.00 0.00 H new ATOM 0 HA GLU A 26 151.142 -10.688 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 26 150.023 -12.635 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 26 148.727 -12.282 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 26 150.832 -12.481 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 26 151.354 -13.585 -1.948 1.00 0.00 H new ATOM 449 N ASP A 27 148.149 -9.552 -1.194 1.00 0.00 N ATOM 450 CA ASP A 27 147.023 -8.739 -1.657 1.00 0.00 C ATOM 451 C ASP A 27 147.494 -7.367 -2.132 1.00 0.00 C ATOM 452 O ASP A 27 147.064 -6.885 -3.182 1.00 0.00 O ATOM 453 CB ASP A 27 145.987 -8.567 -0.539 1.00 0.00 C ATOM 454 CG ASP A 27 145.078 -9.773 -0.385 1.00 0.00 C ATOM 455 OD1 ASP A 27 145.600 -10.899 -0.241 1.00 0.00 O ATOM 456 OD2 ASP A 27 143.842 -9.589 -0.399 1.00 0.00 O ATOM 0 H ASP A 27 148.102 -9.810 -0.208 1.00 0.00 H new ATOM 0 HA ASP A 27 146.563 -9.260 -2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 27 146.504 -8.385 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 27 145.380 -7.685 -0.745 1.00 0.00 H new ATOM 461 N VAL A 28 148.381 -6.742 -1.359 1.00 0.00 N ATOM 462 CA VAL A 28 148.906 -5.426 -1.714 1.00 0.00 C ATOM 463 C VAL A 28 149.746 -5.502 -2.987 1.00 0.00 C ATOM 464 O VAL A 28 149.559 -4.708 -3.909 1.00 0.00 O ATOM 465 CB VAL A 28 149.757 -4.817 -0.579 1.00 0.00 C ATOM 466 CG1 VAL A 28 150.132 -3.377 -0.908 1.00 0.00 C ATOM 467 CG2 VAL A 28 149.017 -4.893 0.750 1.00 0.00 C ATOM 0 H VAL A 28 148.749 -7.124 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 28 148.044 -4.780 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 28 150.675 -5.398 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 28 150.732 -2.963 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 28 150.707 -3.353 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 28 149.226 -2.783 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 28 149.635 -4.458 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 28 148.080 -4.340 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 28 148.805 -5.935 0.990 1.00 0.00 H new ATOM 477 N GLU A 29 150.666 -6.468 -3.032 1.00 0.00 N ATOM 478 CA GLU A 29 151.532 -6.654 -4.195 1.00 0.00 C ATOM 479 C GLU A 29 150.713 -6.903 -5.461 1.00 0.00 C ATOM 480 O GLU A 29 151.045 -6.394 -6.533 1.00 0.00 O ATOM 481 CB GLU A 29 152.489 -7.825 -3.966 1.00 0.00 C ATOM 482 CG GLU A 29 153.597 -7.911 -5.003 1.00 0.00 C ATOM 483 CD GLU A 29 154.685 -8.889 -4.610 1.00 0.00 C ATOM 484 OE1 GLU A 29 155.606 -8.485 -3.870 1.00 0.00 O ATOM 485 OE2 GLU A 29 154.616 -10.059 -5.041 1.00 0.00 O ATOM 0 H GLU A 29 150.829 -7.133 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 29 152.107 -5.738 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 29 152.935 -7.732 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 29 151.921 -8.755 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 29 153.171 -8.211 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 29 154.035 -6.923 -5.145 1.00 0.00 H new ATOM 492 N HIS A 30 149.643 -7.688 -5.328 1.00 0.00 N ATOM 493 CA HIS A 30 148.777 -8.005 -6.460 1.00 0.00 C ATOM 494 C HIS A 30 148.211 -6.729 -7.083 1.00 0.00 C ATOM 495 O HIS A 30 148.126 -6.611 -8.306 1.00 0.00 O ATOM 496 CB HIS A 30 147.635 -8.925 -6.015 1.00 0.00 C ATOM 497 CG HIS A 30 147.436 -10.119 -6.898 1.00 0.00 C ATOM 498 ND1 HIS A 30 146.193 -10.644 -7.180 1.00 0.00 N ATOM 499 CD2 HIS A 30 148.328 -10.897 -7.560 1.00 0.00 C ATOM 500 CE1 HIS A 30 146.327 -11.691 -7.975 1.00 0.00 C ATOM 501 NE2 HIS A 30 147.613 -11.865 -8.221 1.00 0.00 N ATOM 0 H HIS A 30 149.357 -8.115 -4.447 1.00 0.00 H new ATOM 0 HA HIS A 30 149.374 -8.521 -7.212 1.00 0.00 H new ATOM 0 HB2 HIS A 30 147.832 -9.266 -4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 30 146.710 -8.350 -5.985 1.00 0.00 H new ATOM 0 HD2 HIS A 30 149.401 -10.777 -7.566 1.00 0.00 H new ATOM 0 HE1 HIS A 30 145.522 -12.301 -8.358 1.00 0.00 H new ATOM 0 HE2 HIS A 30 148.010 -12.599 -8.807 1.00 0.00 H new ATOM 510 N LYS A 31 147.835 -5.772 -6.234 1.00 0.00 N ATOM 511 CA LYS A 31 147.289 -4.503 -6.706 1.00 0.00 C ATOM 512 C LYS A 31 148.361 -3.675 -7.413 1.00 0.00 C ATOM 513 O LYS A 31 148.132 -3.163 -8.508 1.00 0.00 O ATOM 514 CB LYS A 31 146.697 -3.701 -5.541 1.00 0.00 C ATOM 515 CG LYS A 31 145.364 -3.048 -5.870 1.00 0.00 C ATOM 516 CD LYS A 31 144.746 -2.384 -4.648 1.00 0.00 C ATOM 517 CE LYS A 31 143.293 -2.797 -4.455 1.00 0.00 C ATOM 518 NZ LYS A 31 143.160 -4.231 -4.062 1.00 0.00 N ATOM 0 H LYS A 31 147.899 -5.853 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 31 146.496 -4.728 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 31 146.567 -4.362 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 31 147.407 -2.929 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 31 145.506 -2.305 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 31 144.678 -3.799 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 31 145.320 -2.649 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 31 144.805 -1.301 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 31 142.837 -2.169 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 31 142.742 -2.623 -5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 142.186 -4.416 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 143.380 -4.837 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 143.821 -4.441 -3.287 1.00 0.00 H new ATOM 532 N VAL A 32 149.530 -3.548 -6.779 1.00 0.00 N ATOM 533 CA VAL A 32 150.636 -2.776 -7.351 1.00 0.00 C ATOM 534 C VAL A 32 151.072 -3.345 -8.700 1.00 0.00 C ATOM 535 O VAL A 32 151.322 -2.595 -9.646 1.00 0.00 O ATOM 536 CB VAL A 32 151.856 -2.728 -6.403 1.00 0.00 C ATOM 537 CG1 VAL A 32 152.917 -1.777 -6.941 1.00 0.00 C ATOM 538 CG2 VAL A 32 151.431 -2.322 -4.999 1.00 0.00 C ATOM 0 H VAL A 32 149.734 -3.968 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 32 150.263 -1.762 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 32 152.288 -3.727 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 32 153.767 -1.757 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 32 153.247 -2.117 -7.923 1.00 0.00 H new ATOM 0 HG13 VAL A 32 152.497 -0.775 -7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 32 152.305 -2.294 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 32 150.970 -1.335 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 32 150.713 -3.046 -4.613 1.00 0.00 H new ATOM 548 N THR A 33 151.157 -4.673 -8.783 1.00 0.00 N ATOM 549 CA THR A 33 151.556 -5.342 -10.018 1.00 0.00 C ATOM 550 C THR A 33 150.569 -5.039 -11.147 1.00 0.00 C ATOM 551 O THR A 33 150.973 -4.854 -12.293 1.00 0.00 O ATOM 552 CB THR A 33 151.666 -6.856 -9.803 1.00 0.00 C ATOM 553 OG1 THR A 33 152.497 -7.146 -8.693 1.00 0.00 O ATOM 554 CG2 THR A 33 152.232 -7.594 -10.999 1.00 0.00 C ATOM 0 H THR A 33 150.955 -5.305 -8.009 1.00 0.00 H new ATOM 0 HA THR A 33 152.535 -4.959 -10.305 1.00 0.00 H new ATOM 0 HB THR A 33 150.644 -7.196 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 33 152.012 -6.957 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 33 152.282 -8.660 -10.778 1.00 0.00 H new ATOM 0 HG22 THR A 33 151.589 -7.432 -11.864 1.00 0.00 H new ATOM 0 HG23 THR A 33 153.233 -7.221 -11.216 1.00 0.00 H new ATOM 562 N THR A 34 149.273 -4.995 -10.821 1.00 0.00 N ATOM 563 CA THR A 34 148.239 -4.712 -11.819 1.00 0.00 C ATOM 564 C THR A 34 148.272 -3.246 -12.260 1.00 0.00 C ATOM 565 O THR A 34 148.218 -2.954 -13.455 1.00 0.00 O ATOM 566 CB THR A 34 146.847 -5.067 -11.280 1.00 0.00 C ATOM 567 OG1 THR A 34 146.790 -6.429 -10.894 1.00 0.00 O ATOM 568 CG2 THR A 34 145.736 -4.829 -12.285 1.00 0.00 C ATOM 0 H THR A 34 148.917 -5.151 -9.878 1.00 0.00 H new ATOM 0 HA THR A 34 148.449 -5.334 -12.689 1.00 0.00 H new ATOM 0 HB THR A 34 146.692 -4.407 -10.426 1.00 0.00 H new ATOM 0 HG1 THR A 34 147.244 -6.544 -10.033 1.00 0.00 H new ATOM 0 HG21 THR A 34 144.779 -5.100 -11.840 1.00 0.00 H new ATOM 0 HG22 THR A 34 145.720 -3.776 -12.567 1.00 0.00 H new ATOM 0 HG23 THR A 34 145.910 -5.439 -13.171 1.00 0.00 H new ATOM 576 N VAL A 35 148.350 -2.327 -11.293 1.00 0.00 N ATOM 577 CA VAL A 35 148.376 -0.893 -11.597 1.00 0.00 C ATOM 578 C VAL A 35 149.552 -0.533 -12.509 1.00 0.00 C ATOM 579 O VAL A 35 149.373 0.143 -13.523 1.00 0.00 O ATOM 580 CB VAL A 35 148.449 -0.029 -10.316 1.00 0.00 C ATOM 581 CG1 VAL A 35 148.335 1.450 -10.660 1.00 0.00 C ATOM 582 CG2 VAL A 35 147.365 -0.432 -9.323 1.00 0.00 C ATOM 0 H VAL A 35 148.396 -2.548 -10.298 1.00 0.00 H new ATOM 0 HA VAL A 35 147.441 -0.677 -12.113 1.00 0.00 H new ATOM 0 HB VAL A 35 149.418 -0.202 -9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 35 148.388 2.041 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 35 149.152 1.733 -11.324 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.383 1.636 -11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 35 147.439 0.191 -8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 35 146.385 -0.297 -9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 35 147.496 -1.478 -9.047 1.00 0.00 H new ATOM 592 N PHE A 36 150.753 -0.981 -12.139 1.00 0.00 N ATOM 593 CA PHE A 36 151.956 -0.695 -12.925 1.00 0.00 C ATOM 594 C PHE A 36 152.136 -1.676 -14.086 1.00 0.00 C ATOM 595 O PHE A 36 152.794 -1.353 -15.076 1.00 0.00 O ATOM 596 CB PHE A 36 153.199 -0.726 -12.031 1.00 0.00 C ATOM 597 CG PHE A 36 153.206 0.331 -10.961 1.00 0.00 C ATOM 598 CD1 PHE A 36 152.848 1.639 -11.251 1.00 0.00 C ATOM 599 CD2 PHE A 36 153.574 0.013 -9.665 1.00 0.00 C ATOM 600 CE1 PHE A 36 152.857 2.608 -10.266 1.00 0.00 C ATOM 601 CE2 PHE A 36 153.585 0.978 -8.677 1.00 0.00 C ATOM 602 CZ PHE A 36 153.227 2.277 -8.978 1.00 0.00 C ATOM 0 H PHE A 36 150.919 -1.541 -11.303 1.00 0.00 H new ATOM 0 HA PHE A 36 151.830 0.302 -13.346 1.00 0.00 H new ATOM 0 HB2 PHE A 36 153.272 -1.706 -11.560 1.00 0.00 H new ATOM 0 HB3 PHE A 36 154.086 -0.605 -12.654 1.00 0.00 H new ATOM 0 HD1 PHE A 36 152.559 1.903 -12.258 1.00 0.00 H new ATOM 0 HD2 PHE A 36 153.856 -1.001 -9.424 1.00 0.00 H new ATOM 0 HE1 PHE A 36 152.575 3.623 -10.504 1.00 0.00 H new ATOM 0 HE2 PHE A 36 153.873 0.717 -7.670 1.00 0.00 H new ATOM 0 HZ PHE A 36 153.236 3.033 -8.207 1.00 0.00 H new ATOM 612 N GLY A 37 151.564 -2.874 -13.958 1.00 0.00 N ATOM 613 CA GLY A 37 151.689 -3.878 -15.004 1.00 0.00 C ATOM 614 C GLY A 37 153.047 -4.567 -15.003 1.00 0.00 C ATOM 615 O GLY A 37 153.516 -5.020 -16.049 1.00 0.00 O ATOM 0 H GLY A 37 151.017 -3.166 -13.149 1.00 0.00 H new ATOM 0 HA2 GLY A 37 150.907 -4.627 -14.878 1.00 0.00 H new ATOM 0 HA3 GLY A 37 151.526 -3.408 -15.974 1.00 0.00 H new ATOM 619 N GLN A 38 153.680 -4.645 -13.829 1.00 0.00 N ATOM 620 CA GLN A 38 154.991 -5.282 -13.697 1.00 0.00 C ATOM 621 C GLN A 38 155.405 -5.384 -12.227 1.00 0.00 C ATOM 622 O GLN A 38 154.884 -4.659 -11.377 1.00 0.00 O ATOM 623 CB GLN A 38 156.050 -4.501 -14.487 1.00 0.00 C ATOM 624 CG GLN A 38 156.014 -2.998 -14.243 1.00 0.00 C ATOM 625 CD GLN A 38 157.389 -2.407 -13.984 1.00 0.00 C ATOM 626 OE1 GLN A 38 158.213 -3.001 -13.287 1.00 0.00 O ATOM 627 NE2 GLN A 38 157.643 -1.225 -14.538 1.00 0.00 N ATOM 0 H GLN A 38 153.304 -4.274 -12.956 1.00 0.00 H new ATOM 0 HA GLN A 38 154.917 -6.290 -14.105 1.00 0.00 H new ATOM 0 HB2 GLN A 38 157.038 -4.879 -14.224 1.00 0.00 H new ATOM 0 HB3 GLN A 38 155.909 -4.690 -15.551 1.00 0.00 H new ATOM 0 HG2 GLN A 38 155.570 -2.505 -15.108 1.00 0.00 H new ATOM 0 HG3 GLN A 38 155.368 -2.789 -13.390 1.00 0.00 H new ATOM 0 HE21 GLN A 38 156.933 -0.766 -15.109 1.00 0.00 H new ATOM 0 HE22 GLN A 38 158.548 -0.777 -14.392 1.00 0.00 H new ATOM 636 N PRO A 39 156.349 -6.292 -11.907 1.00 0.00 N ATOM 637 CA PRO A 39 156.827 -6.486 -10.533 1.00 0.00 C ATOM 638 C PRO A 39 157.687 -5.319 -10.041 1.00 0.00 C ATOM 639 O PRO A 39 158.816 -5.130 -10.502 1.00 0.00 O ATOM 640 CB PRO A 39 157.659 -7.769 -10.624 1.00 0.00 C ATOM 641 CG PRO A 39 158.112 -7.830 -12.041 1.00 0.00 C ATOM 642 CD PRO A 39 157.016 -7.204 -12.859 1.00 0.00 C ATOM 0 HA PRO A 39 156.004 -6.546 -9.821 1.00 0.00 H new ATOM 0 HB2 PRO A 39 158.506 -7.740 -9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 39 157.066 -8.645 -10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 39 159.051 -7.293 -12.173 1.00 0.00 H new ATOM 0 HG3 PRO A 39 158.288 -8.861 -12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 39 157.415 -6.665 -13.718 1.00 0.00 H new ATOM 0 HD3 PRO A 39 156.326 -7.954 -13.246 1.00 0.00 H new ATOM 650 N LEU A 40 157.144 -4.542 -9.103 1.00 0.00 N ATOM 651 CA LEU A 40 157.854 -3.394 -8.542 1.00 0.00 C ATOM 652 C LEU A 40 158.137 -3.596 -7.054 1.00 0.00 C ATOM 653 O LEU A 40 157.423 -4.334 -6.371 1.00 0.00 O ATOM 654 CB LEU A 40 157.041 -2.111 -8.741 1.00 0.00 C ATOM 655 CG LEU A 40 157.164 -1.467 -10.124 1.00 0.00 C ATOM 656 CD1 LEU A 40 156.080 -1.986 -11.054 1.00 0.00 C ATOM 657 CD2 LEU A 40 157.096 0.049 -10.013 1.00 0.00 C ATOM 0 H LEU A 40 156.212 -4.688 -8.715 1.00 0.00 H new ATOM 0 HA LEU A 40 158.804 -3.303 -9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 40 155.990 -2.333 -8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 40 157.351 -1.384 -7.991 1.00 0.00 H new ATOM 0 HG LEU A 40 158.132 -1.737 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 40 156.184 -1.516 -12.032 1.00 0.00 H new ATOM 0 HD12 LEU A 40 156.177 -3.067 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 40 155.100 -1.748 -10.640 1.00 0.00 H new ATOM 0 HD21 LEU A 40 157.185 0.491 -11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 40 156.143 0.339 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 40 157.911 0.405 -9.383 1.00 0.00 H new ATOM 669 N ASP A 41 159.177 -2.926 -6.559 1.00 0.00 N ATOM 670 CA ASP A 41 159.557 -3.018 -5.151 1.00 0.00 C ATOM 671 C ASP A 41 159.006 -1.833 -4.363 1.00 0.00 C ATOM 672 O ASP A 41 158.982 -0.704 -4.858 1.00 0.00 O ATOM 673 CB ASP A 41 161.083 -3.070 -5.010 1.00 0.00 C ATOM 674 CG ASP A 41 161.540 -3.912 -3.831 1.00 0.00 C ATOM 675 OD1 ASP A 41 160.888 -4.936 -3.533 1.00 0.00 O ATOM 676 OD2 ASP A 41 162.557 -3.550 -3.208 1.00 0.00 O ATOM 0 H ASP A 41 159.773 -2.312 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 41 159.131 -3.936 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 41 161.514 -3.473 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 41 161.467 -2.056 -4.896 1.00 0.00 H new ATOM 681 N LEU A 42 158.568 -2.098 -3.132 1.00 0.00 N ATOM 682 CA LEU A 42 158.020 -1.054 -2.268 1.00 0.00 C ATOM 683 C LEU A 42 158.989 -0.732 -1.127 1.00 0.00 C ATOM 684 O LEU A 42 159.060 -1.460 -0.134 1.00 0.00 O ATOM 685 CB LEU A 42 156.646 -1.469 -1.709 1.00 0.00 C ATOM 686 CG LEU A 42 156.467 -2.964 -1.414 1.00 0.00 C ATOM 687 CD1 LEU A 42 155.404 -3.172 -0.344 1.00 0.00 C ATOM 688 CD2 LEU A 42 156.099 -3.726 -2.680 1.00 0.00 C ATOM 0 H LEU A 42 158.582 -3.027 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 42 157.885 -0.155 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 42 156.466 -0.913 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 42 155.879 -1.164 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 42 157.416 -3.353 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 155.290 -4.238 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 42 155.705 -2.664 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 42 154.455 -2.763 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 42 155.977 -4.784 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 42 155.165 -3.334 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 42 156.891 -3.607 -3.419 1.00 0.00 H new ATOM 700 N HIS A 43 159.741 0.359 -1.286 1.00 0.00 N ATOM 701 CA HIS A 43 160.718 0.782 -0.282 1.00 0.00 C ATOM 702 C HIS A 43 160.105 1.767 0.713 1.00 0.00 C ATOM 703 O HIS A 43 159.471 2.749 0.321 1.00 0.00 O ATOM 704 CB HIS A 43 161.932 1.427 -0.958 1.00 0.00 C ATOM 705 CG HIS A 43 162.872 0.444 -1.587 1.00 0.00 C ATOM 706 ND1 HIS A 43 163.983 0.825 -2.306 1.00 0.00 N ATOM 707 CD2 HIS A 43 162.859 -0.909 -1.610 1.00 0.00 C ATOM 708 CE1 HIS A 43 164.611 -0.251 -2.745 1.00 0.00 C ATOM 709 NE2 HIS A 43 163.949 -1.320 -2.339 1.00 0.00 N ATOM 0 H HIS A 43 159.691 0.967 -2.103 1.00 0.00 H new ATOM 0 HA HIS A 43 161.034 -0.107 0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 43 161.583 2.121 -1.723 1.00 0.00 H new ATOM 0 HB3 HIS A 43 162.477 2.014 -0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 43 162.126 -1.549 -1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 43 165.514 -0.256 -3.337 1.00 0.00 H new ATOM 0 HE2 HIS A 43 164.204 -2.288 -2.534 1.00 0.00 H new ATOM 718 N TYR A 44 160.310 1.503 2.002 1.00 0.00 N ATOM 719 CA TYR A 44 159.793 2.359 3.061 1.00 0.00 C ATOM 720 C TYR A 44 160.928 3.158 3.706 1.00 0.00 C ATOM 721 O TYR A 44 161.886 2.581 4.224 1.00 0.00 O ATOM 722 CB TYR A 44 159.075 1.506 4.114 1.00 0.00 C ATOM 723 CG TYR A 44 158.721 2.253 5.382 1.00 0.00 C ATOM 724 CD1 TYR A 44 159.665 2.443 6.382 1.00 0.00 C ATOM 725 CD2 TYR A 44 157.445 2.766 5.578 1.00 0.00 C ATOM 726 CE1 TYR A 44 159.351 3.123 7.542 1.00 0.00 C ATOM 727 CE2 TYR A 44 157.121 3.448 6.736 1.00 0.00 C ATOM 728 CZ TYR A 44 158.077 3.624 7.715 1.00 0.00 C ATOM 729 OH TYR A 44 157.758 4.304 8.870 1.00 0.00 O ATOM 0 H TYR A 44 160.835 0.695 2.337 1.00 0.00 H new ATOM 0 HA TYR A 44 159.082 3.063 2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 44 158.162 1.102 3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 44 159.708 0.657 4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 44 160.663 2.052 6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 44 156.694 2.630 4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 44 160.098 3.262 8.309 1.00 0.00 H new ATOM 0 HE2 TYR A 44 156.125 3.841 6.874 1.00 0.00 H new ATOM 0 HH TYR A 44 156.822 4.591 8.832 1.00 0.00 H new ATOM 739 N MET A 45 160.811 4.485 3.675 1.00 0.00 N ATOM 740 CA MET A 45 161.825 5.359 4.262 1.00 0.00 C ATOM 741 C MET A 45 161.291 6.029 5.526 1.00 0.00 C ATOM 742 O MET A 45 160.358 6.830 5.466 1.00 0.00 O ATOM 743 CB MET A 45 162.269 6.427 3.256 1.00 0.00 C ATOM 744 CG MET A 45 162.638 5.873 1.890 1.00 0.00 C ATOM 745 SD MET A 45 164.351 5.318 1.810 1.00 0.00 S ATOM 746 CE MET A 45 164.314 4.326 0.320 1.00 0.00 C ATOM 0 H MET A 45 160.025 4.977 3.250 1.00 0.00 H new ATOM 0 HA MET A 45 162.686 4.745 4.525 1.00 0.00 H new ATOM 0 HB2 MET A 45 161.467 7.155 3.137 1.00 0.00 H new ATOM 0 HB3 MET A 45 163.127 6.962 3.664 1.00 0.00 H new ATOM 0 HG2 MET A 45 161.978 5.040 1.649 1.00 0.00 H new ATOM 0 HG3 MET A 45 162.472 6.640 1.134 1.00 0.00 H new ATOM 0 HE1 MET A 45 165.257 4.439 -0.216 1.00 0.00 H new ATOM 0 HE2 MET A 45 164.170 3.278 0.584 1.00 0.00 H new ATOM 0 HE3 MET A 45 163.493 4.656 -0.317 1.00 0.00 H new ATOM 756 N ASN A 46 161.891 5.696 6.668 1.00 0.00 N ATOM 757 CA ASN A 46 161.478 6.266 7.950 1.00 0.00 C ATOM 758 C ASN A 46 161.905 7.730 8.054 1.00 0.00 C ATOM 759 O ASN A 46 161.074 8.616 8.265 1.00 0.00 O ATOM 760 CB ASN A 46 162.074 5.456 9.107 1.00 0.00 C ATOM 761 CG ASN A 46 161.414 5.763 10.442 1.00 0.00 C ATOM 762 OD1 ASN A 46 160.602 6.682 10.553 1.00 0.00 O ATOM 763 ND2 ASN A 46 161.760 4.991 11.468 1.00 0.00 N ATOM 0 H ASN A 46 162.665 5.034 6.732 1.00 0.00 H new ATOM 0 HA ASN A 46 160.391 6.221 8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 46 161.970 4.393 8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 46 163.142 5.664 9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 46 161.349 5.150 12.388 1.00 0.00 H new ATOM 0 HD22 ASN A 46 162.437 4.239 11.335 1.00 0.00 H new ATOM 770 N ASN A 47 163.207 7.973 7.898 1.00 0.00 N ATOM 771 CA ASN A 47 163.762 9.325 7.963 1.00 0.00 C ATOM 772 C ASN A 47 165.226 9.326 7.526 1.00 0.00 C ATOM 773 O ASN A 47 165.597 10.011 6.572 1.00 0.00 O ATOM 774 CB ASN A 47 163.634 9.897 9.379 1.00 0.00 C ATOM 775 CG ASN A 47 163.917 11.387 9.428 1.00 0.00 C ATOM 776 OD1 ASN A 47 164.880 11.826 10.055 1.00 0.00 O ATOM 777 ND2 ASN A 47 163.076 12.175 8.764 1.00 0.00 N ATOM 0 H ASN A 47 163.901 7.246 7.725 1.00 0.00 H new ATOM 0 HA ASN A 47 163.193 9.957 7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 47 162.628 9.708 9.755 1.00 0.00 H new ATOM 0 HB3 ASN A 47 164.325 9.377 10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 47 163.217 13.185 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 47 162.290 11.769 8.257 1.00 0.00 H new ATOM 784 N GLU A 48 166.048 8.546 8.228 1.00 0.00 N ATOM 785 CA GLU A 48 167.473 8.443 7.915 1.00 0.00 C ATOM 786 C GLU A 48 167.862 7.014 7.503 1.00 0.00 C ATOM 787 O GLU A 48 169.036 6.738 7.252 1.00 0.00 O ATOM 788 CB GLU A 48 168.310 8.887 9.120 1.00 0.00 C ATOM 789 CG GLU A 48 168.750 10.342 9.054 1.00 0.00 C ATOM 790 CD GLU A 48 169.930 10.552 8.124 1.00 0.00 C ATOM 791 OE1 GLU A 48 171.081 10.400 8.582 1.00 0.00 O ATOM 792 OE2 GLU A 48 169.701 10.869 6.938 1.00 0.00 O ATOM 0 H GLU A 48 165.750 7.975 9.019 1.00 0.00 H new ATOM 0 HA GLU A 48 167.675 9.101 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 48 167.731 8.732 10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 48 169.193 8.252 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 48 167.914 10.956 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 48 169.015 10.683 10.055 1.00 0.00 H new ATOM 799 N LEU A 49 166.877 6.106 7.435 1.00 0.00 N ATOM 800 CA LEU A 49 167.137 4.715 7.056 1.00 0.00 C ATOM 801 C LEU A 49 166.158 4.229 5.986 1.00 0.00 C ATOM 802 O LEU A 49 165.078 4.800 5.812 1.00 0.00 O ATOM 803 CB LEU A 49 167.058 3.807 8.287 1.00 0.00 C ATOM 804 CG LEU A 49 165.761 3.916 9.097 1.00 0.00 C ATOM 805 CD1 LEU A 49 165.377 2.562 9.676 1.00 0.00 C ATOM 806 CD2 LEU A 49 165.910 4.951 10.205 1.00 0.00 C ATOM 0 H LEU A 49 165.899 6.312 7.637 1.00 0.00 H new ATOM 0 HA LEU A 49 168.142 4.670 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 49 167.180 2.773 7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 49 167.898 4.037 8.943 1.00 0.00 H new ATOM 0 HG LEU A 49 164.963 4.241 8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 49 164.454 2.659 10.248 1.00 0.00 H new ATOM 0 HD12 LEU A 49 165.228 1.849 8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 49 166.173 2.207 10.330 1.00 0.00 H new ATOM 0 HD21 LEU A 49 164.980 5.016 10.770 1.00 0.00 H new ATOM 0 HD22 LEU A 49 166.720 4.656 10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 49 166.136 5.923 9.767 1.00 0.00 H new ATOM 818 N SER A 50 166.545 3.165 5.275 1.00 0.00 N ATOM 819 CA SER A 50 165.709 2.591 4.220 1.00 0.00 C ATOM 820 C SER A 50 165.315 1.150 4.547 1.00 0.00 C ATOM 821 O SER A 50 166.176 0.302 4.791 1.00 0.00 O ATOM 822 CB SER A 50 166.440 2.631 2.873 1.00 0.00 C ATOM 823 OG SER A 50 167.292 3.761 2.778 1.00 0.00 O ATOM 0 H SER A 50 167.434 2.684 5.413 1.00 0.00 H new ATOM 0 HA SER A 50 164.802 3.192 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 50 167.026 1.720 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 50 165.711 2.654 2.063 1.00 0.00 H new ATOM 0 HG SER A 50 166.776 4.535 2.471 1.00 0.00 H new ATOM 829 N ILE A 51 164.009 0.882 4.543 1.00 0.00 N ATOM 830 CA ILE A 51 163.492 -0.454 4.833 1.00 0.00 C ATOM 831 C ILE A 51 162.776 -1.037 3.614 1.00 0.00 C ATOM 832 O ILE A 51 161.946 -0.373 2.993 1.00 0.00 O ATOM 833 CB ILE A 51 162.516 -0.438 6.031 1.00 0.00 C ATOM 834 CG1 ILE A 51 163.118 0.332 7.214 1.00 0.00 C ATOM 835 CG2 ILE A 51 162.152 -1.859 6.448 1.00 0.00 C ATOM 836 CD1 ILE A 51 164.409 -0.262 7.741 1.00 0.00 C ATOM 0 H ILE A 51 163.289 1.575 4.341 1.00 0.00 H new ATOM 0 HA ILE A 51 164.349 -1.078 5.086 1.00 0.00 H new ATOM 0 HB ILE A 51 161.605 0.073 5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 51 163.302 1.362 6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 51 162.388 0.365 8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 51 161.464 -1.825 7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 51 161.676 -2.373 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 51 163.055 -2.396 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 51 164.772 0.338 8.576 1.00 0.00 H new ATOM 0 HD12 ILE A 51 164.229 -1.282 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 51 165.157 -0.269 6.948 1.00 0.00 H new ATOM 848 N LEU A 52 163.103 -2.285 3.280 1.00 0.00 N ATOM 849 CA LEU A 52 162.493 -2.967 2.138 1.00 0.00 C ATOM 850 C LEU A 52 161.326 -3.843 2.589 1.00 0.00 C ATOM 851 O LEU A 52 161.480 -4.685 3.476 1.00 0.00 O ATOM 852 CB LEU A 52 163.538 -3.825 1.412 1.00 0.00 C ATOM 853 CG LEU A 52 163.182 -4.219 -0.026 1.00 0.00 C ATOM 854 CD1 LEU A 52 164.438 -4.564 -0.814 1.00 0.00 C ATOM 855 CD2 LEU A 52 162.208 -5.391 -0.040 1.00 0.00 C ATOM 0 H LEU A 52 163.789 -2.846 3.785 1.00 0.00 H new ATOM 0 HA LEU A 52 162.114 -2.209 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 52 164.483 -3.282 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 52 163.701 -4.735 1.990 1.00 0.00 H new ATOM 0 HG LEU A 52 162.699 -3.365 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 52 164.164 -4.841 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 52 165.101 -3.699 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 52 164.950 -5.399 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 52 161.969 -5.653 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 52 162.663 -6.248 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 52 161.294 -5.111 0.484 1.00 0.00 H new ATOM 867 N LEU A 53 160.162 -3.650 1.968 1.00 0.00 N ATOM 868 CA LEU A 53 158.976 -4.431 2.307 1.00 0.00 C ATOM 869 C LEU A 53 158.929 -5.725 1.495 1.00 0.00 C ATOM 870 O LEU A 53 158.400 -5.752 0.382 1.00 0.00 O ATOM 871 CB LEU A 53 157.703 -3.609 2.070 1.00 0.00 C ATOM 872 CG LEU A 53 157.144 -2.912 3.313 1.00 0.00 C ATOM 873 CD1 LEU A 53 156.059 -1.914 2.931 1.00 0.00 C ATOM 874 CD2 LEU A 53 156.604 -3.939 4.297 1.00 0.00 C ATOM 0 H LEU A 53 160.017 -2.961 1.230 1.00 0.00 H new ATOM 0 HA LEU A 53 159.032 -4.689 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 53 157.911 -2.855 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 53 156.934 -4.266 1.663 1.00 0.00 H new ATOM 0 HG LEU A 53 157.955 -2.364 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 53 155.676 -1.431 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 53 156.477 -1.160 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 53 155.246 -2.436 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 53 156.210 -3.429 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 53 155.808 -4.513 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 157.407 -4.612 4.598 1.00 0.00 H new ATOM 886 N LYS A 54 159.489 -6.793 2.064 1.00 0.00 N ATOM 887 CA LYS A 54 159.518 -8.099 1.403 1.00 0.00 C ATOM 888 C LYS A 54 158.545 -9.081 2.062 1.00 0.00 C ATOM 889 O LYS A 54 157.956 -9.926 1.386 1.00 0.00 O ATOM 890 CB LYS A 54 160.939 -8.676 1.413 1.00 0.00 C ATOM 891 CG LYS A 54 161.487 -8.937 2.808 1.00 0.00 C ATOM 892 CD LYS A 54 162.909 -9.472 2.762 1.00 0.00 C ATOM 893 CE LYS A 54 163.720 -8.994 3.959 1.00 0.00 C ATOM 894 NZ LYS A 54 164.924 -9.840 4.200 1.00 0.00 N ATOM 0 H LYS A 54 159.930 -6.779 2.984 1.00 0.00 H new ATOM 0 HA LYS A 54 159.202 -7.953 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 54 160.946 -9.609 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 54 161.605 -7.986 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 54 161.464 -8.014 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 54 160.846 -9.652 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 54 162.889 -10.562 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 54 163.392 -9.148 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 54 164.030 -7.962 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 54 163.090 -9.001 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 165.444 -9.477 5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 164.629 -10.820 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 165.540 -9.814 3.362 1.00 0.00 H new ATOM 908 N ASN A 55 158.386 -8.970 3.383 1.00 0.00 N ATOM 909 CA ASN A 55 157.487 -9.851 4.126 1.00 0.00 C ATOM 910 C ASN A 55 156.576 -9.049 5.053 1.00 0.00 C ATOM 911 O ASN A 55 156.766 -7.844 5.235 1.00 0.00 O ATOM 912 CB ASN A 55 158.297 -10.870 4.936 1.00 0.00 C ATOM 913 CG ASN A 55 158.489 -12.180 4.192 1.00 0.00 C ATOM 914 OD1 ASN A 55 157.596 -13.027 4.166 1.00 0.00 O ATOM 915 ND2 ASN A 55 159.656 -12.353 3.581 1.00 0.00 N ATOM 0 H ASN A 55 158.868 -8.279 3.958 1.00 0.00 H new ATOM 0 HA ASN A 55 156.861 -10.381 3.408 1.00 0.00 H new ATOM 0 HB2 ASN A 55 159.272 -10.446 5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 55 157.791 -11.063 5.882 1.00 0.00 H new ATOM 0 HD21 ASN A 55 159.839 -13.214 3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 55 160.369 -11.625 3.628 1.00 0.00 H new ATOM 922 N GLN A 56 155.589 -9.729 5.643 1.00 0.00 N ATOM 923 CA GLN A 56 154.649 -9.084 6.559 1.00 0.00 C ATOM 924 C GLN A 56 155.379 -8.503 7.771 1.00 0.00 C ATOM 925 O GLN A 56 154.956 -7.488 8.326 1.00 0.00 O ATOM 926 CB GLN A 56 153.579 -10.079 7.022 1.00 0.00 C ATOM 927 CG GLN A 56 152.410 -9.427 7.748 1.00 0.00 C ATOM 928 CD GLN A 56 151.096 -9.586 7.005 1.00 0.00 C ATOM 929 OE1 GLN A 56 150.300 -10.475 7.309 1.00 0.00 O ATOM 930 NE2 GLN A 56 150.861 -8.723 6.022 1.00 0.00 N ATOM 0 H GLN A 56 155.422 -10.725 5.502 1.00 0.00 H new ATOM 0 HA GLN A 56 154.165 -8.269 6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 56 153.200 -10.621 6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 56 154.040 -10.814 7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 56 152.316 -9.864 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 56 152.619 -8.366 7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 56 151.547 -8.001 5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 56 149.994 -8.783 5.487 1.00 0.00 H new ATOM 939 N ASP A 57 156.478 -9.150 8.176 1.00 0.00 N ATOM 940 CA ASP A 57 157.268 -8.693 9.321 1.00 0.00 C ATOM 941 C ASP A 57 157.679 -7.230 9.155 1.00 0.00 C ATOM 942 O ASP A 57 157.572 -6.437 10.092 1.00 0.00 O ATOM 943 CB ASP A 57 158.514 -9.568 9.496 1.00 0.00 C ATOM 944 CG ASP A 57 158.878 -9.772 10.955 1.00 0.00 C ATOM 945 OD1 ASP A 57 158.031 -10.291 11.714 1.00 0.00 O ATOM 946 OD2 ASP A 57 160.011 -9.414 11.339 1.00 0.00 O ATOM 0 H ASP A 57 156.839 -9.991 7.727 1.00 0.00 H new ATOM 0 HA ASP A 57 156.646 -8.778 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 57 158.342 -10.537 9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 57 159.354 -9.107 8.976 1.00 0.00 H new ATOM 951 N ASP A 58 158.141 -6.879 7.953 1.00 0.00 N ATOM 952 CA ASP A 58 158.560 -5.508 7.656 1.00 0.00 C ATOM 953 C ASP A 58 157.362 -4.557 7.677 1.00 0.00 C ATOM 954 O ASP A 58 157.475 -3.412 8.116 1.00 0.00 O ATOM 955 CB ASP A 58 159.254 -5.440 6.289 1.00 0.00 C ATOM 956 CG ASP A 58 160.515 -6.282 6.226 1.00 0.00 C ATOM 957 OD1 ASP A 58 161.436 -6.040 7.036 1.00 0.00 O ATOM 958 OD2 ASP A 58 160.582 -7.182 5.362 1.00 0.00 O ATOM 0 H ASP A 58 158.234 -7.525 7.170 1.00 0.00 H new ATOM 0 HA ASP A 58 159.266 -5.199 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 58 158.560 -5.775 5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 58 159.504 -4.403 6.065 1.00 0.00 H new ATOM 963 N LEU A 59 156.215 -5.043 7.200 1.00 0.00 N ATOM 964 CA LEU A 59 154.994 -4.242 7.164 1.00 0.00 C ATOM 965 C LEU A 59 154.466 -3.979 8.576 1.00 0.00 C ATOM 966 O LEU A 59 154.040 -2.866 8.887 1.00 0.00 O ATOM 967 CB LEU A 59 153.922 -4.943 6.323 1.00 0.00 C ATOM 968 CG LEU A 59 152.656 -4.120 6.066 1.00 0.00 C ATOM 969 CD1 LEU A 59 152.639 -3.594 4.638 1.00 0.00 C ATOM 970 CD2 LEU A 59 151.412 -4.951 6.351 1.00 0.00 C ATOM 0 H LEU A 59 156.108 -5.989 6.833 1.00 0.00 H new ATOM 0 HA LEU A 59 155.234 -3.283 6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 59 154.358 -5.219 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 59 153.639 -5.870 6.822 1.00 0.00 H new ATOM 0 HG LEU A 59 152.658 -3.265 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 59 151.732 -3.012 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 59 153.511 -2.961 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 59 152.662 -4.432 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 59 150.522 -4.350 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 59 151.403 -5.826 5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 59 151.420 -5.272 7.393 1.00 0.00 H new ATOM 982 N ASP A 60 154.504 -5.007 9.425 1.00 0.00 N ATOM 983 CA ASP A 60 154.032 -4.889 10.806 1.00 0.00 C ATOM 984 C ASP A 60 154.846 -3.851 11.578 1.00 0.00 C ATOM 985 O ASP A 60 154.291 -3.062 12.344 1.00 0.00 O ATOM 986 CB ASP A 60 154.110 -6.246 11.513 1.00 0.00 C ATOM 987 CG ASP A 60 152.787 -6.986 11.490 1.00 0.00 C ATOM 988 OD1 ASP A 60 152.391 -7.462 10.404 1.00 0.00 O ATOM 989 OD2 ASP A 60 152.146 -7.089 12.557 1.00 0.00 O ATOM 0 H ASP A 60 154.857 -5.932 9.180 1.00 0.00 H new ATOM 0 HA ASP A 60 152.993 -4.560 10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 60 154.874 -6.859 11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 60 154.422 -6.097 12.547 1.00 0.00 H new ATOM 994 N LYS A 61 156.160 -3.851 11.363 1.00 0.00 N ATOM 995 CA LYS A 61 157.047 -2.903 12.032 1.00 0.00 C ATOM 996 C LYS A 61 156.711 -1.465 11.629 1.00 0.00 C ATOM 997 O LYS A 61 156.735 -0.559 12.463 1.00 0.00 O ATOM 998 CB LYS A 61 158.508 -3.217 11.690 1.00 0.00 C ATOM 999 CG LYS A 61 159.513 -2.411 12.498 1.00 0.00 C ATOM 1000 CD LYS A 61 160.779 -2.139 11.701 1.00 0.00 C ATOM 1001 CE LYS A 61 161.866 -3.158 12.012 1.00 0.00 C ATOM 1002 NZ LYS A 61 163.070 -2.971 11.153 1.00 0.00 N ATOM 0 H LYS A 61 156.633 -4.497 10.731 1.00 0.00 H new ATOM 0 HA LYS A 61 156.903 -3.000 13.108 1.00 0.00 H new ATOM 0 HB2 LYS A 61 158.690 -4.279 11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 61 158.672 -3.027 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 61 159.063 -1.466 12.802 1.00 0.00 H new ATOM 0 HG3 LYS A 61 159.765 -2.952 13.410 1.00 0.00 H new ATOM 0 HD2 LYS A 61 160.551 -2.163 10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 61 161.144 -1.137 11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 61 162.152 -3.074 13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 61 161.471 -4.164 11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 163.785 -3.685 11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 162.803 -3.077 10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 163.463 -2.021 11.308 1.00 0.00 H new ATOM 1016 N ALA A 62 156.387 -1.267 10.347 1.00 0.00 N ATOM 1017 CA ALA A 62 156.037 0.059 9.835 1.00 0.00 C ATOM 1018 C ALA A 62 154.768 0.589 10.503 1.00 0.00 C ATOM 1019 O ALA A 62 154.707 1.756 10.895 1.00 0.00 O ATOM 1020 CB ALA A 62 155.866 0.017 8.322 1.00 0.00 C ATOM 0 H ALA A 62 156.360 -2.008 9.647 1.00 0.00 H new ATOM 0 HA ALA A 62 156.853 0.740 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 62 155.606 1.011 7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 62 156.798 -0.307 7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 62 155.071 -0.683 8.065 1.00 0.00 H new ATOM 1026 N ILE A 63 153.762 -0.277 10.641 1.00 0.00 N ATOM 1027 CA ILE A 63 152.502 0.108 11.273 1.00 0.00 C ATOM 1028 C ILE A 63 152.714 0.440 12.750 1.00 0.00 C ATOM 1029 O ILE A 63 152.154 1.410 13.258 1.00 0.00 O ATOM 1030 CB ILE A 63 151.429 -0.999 11.149 1.00 0.00 C ATOM 1031 CG1 ILE A 63 151.230 -1.393 9.681 1.00 0.00 C ATOM 1032 CG2 ILE A 63 150.111 -0.535 11.758 1.00 0.00 C ATOM 1033 CD1 ILE A 63 150.725 -0.262 8.808 1.00 0.00 C ATOM 0 H ILE A 63 153.796 -1.246 10.324 1.00 0.00 H new ATOM 0 HA ILE A 63 152.145 0.993 10.746 1.00 0.00 H new ATOM 0 HB ILE A 63 151.774 -1.875 11.698 1.00 0.00 H new ATOM 0 HG12 ILE A 63 152.177 -1.754 9.280 1.00 0.00 H new ATOM 0 HG13 ILE A 63 150.525 -2.222 9.629 1.00 0.00 H new ATOM 0 HG21 ILE A 63 149.367 -1.326 11.662 1.00 0.00 H new ATOM 0 HG22 ILE A 63 150.259 -0.302 12.813 1.00 0.00 H new ATOM 0 HG23 ILE A 63 149.762 0.356 11.236 1.00 0.00 H new ATOM 0 HD11 ILE A 63 150.609 -0.617 7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 63 149.762 0.085 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 63 151.440 0.560 8.828 1.00 0.00 H new ATOM 1045 N ASP A 64 153.534 -0.366 13.430 1.00 0.00 N ATOM 1046 CA ASP A 64 153.828 -0.149 14.847 1.00 0.00 C ATOM 1047 C ASP A 64 154.367 1.261 15.084 1.00 0.00 C ATOM 1048 O ASP A 64 153.968 1.935 16.035 1.00 0.00 O ATOM 1049 CB ASP A 64 154.839 -1.184 15.349 1.00 0.00 C ATOM 1050 CG ASP A 64 154.169 -2.400 15.961 1.00 0.00 C ATOM 1051 OD1 ASP A 64 153.464 -3.124 15.227 1.00 0.00 O ATOM 1052 OD2 ASP A 64 154.352 -2.630 17.175 1.00 0.00 O ATOM 0 H ASP A 64 154.005 -1.173 13.022 1.00 0.00 H new ATOM 0 HA ASP A 64 152.897 -0.262 15.403 1.00 0.00 H new ATOM 0 HB2 ASP A 64 155.472 -1.501 14.520 1.00 0.00 H new ATOM 0 HB3 ASP A 64 155.491 -0.721 16.090 1.00 0.00 H new ATOM 1057 N ILE A 65 155.270 1.706 14.209 1.00 0.00 N ATOM 1058 CA ILE A 65 155.855 3.040 14.322 1.00 0.00 C ATOM 1059 C ILE A 65 154.806 4.120 14.052 1.00 0.00 C ATOM 1060 O ILE A 65 154.753 5.131 14.754 1.00 0.00 O ATOM 1061 CB ILE A 65 157.042 3.235 13.351 1.00 0.00 C ATOM 1062 CG1 ILE A 65 158.057 2.095 13.494 1.00 0.00 C ATOM 1063 CG2 ILE A 65 157.714 4.580 13.598 1.00 0.00 C ATOM 1064 CD1 ILE A 65 158.781 1.764 12.206 1.00 0.00 C ATOM 0 H ILE A 65 155.611 1.162 13.416 1.00 0.00 H new ATOM 0 HA ILE A 65 156.224 3.134 15.343 1.00 0.00 H new ATOM 0 HB ILE A 65 156.655 3.220 12.332 1.00 0.00 H new ATOM 0 HG12 ILE A 65 158.790 2.365 14.254 1.00 0.00 H new ATOM 0 HG13 ILE A 65 157.542 1.203 13.851 1.00 0.00 H new ATOM 0 HG21 ILE A 65 158.548 4.703 12.907 1.00 0.00 H new ATOM 0 HG22 ILE A 65 156.992 5.382 13.442 1.00 0.00 H new ATOM 0 HG23 ILE A 65 158.084 4.619 14.623 1.00 0.00 H new ATOM 0 HD11 ILE A 65 159.483 0.949 12.382 1.00 0.00 H new ATOM 0 HD12 ILE A 65 158.057 1.462 11.449 1.00 0.00 H new ATOM 0 HD13 ILE A 65 159.325 2.642 11.858 1.00 0.00 H new ATOM 1076 N LEU A 66 153.976 3.900 13.030 1.00 0.00 N ATOM 1077 CA LEU A 66 152.932 4.858 12.672 1.00 0.00 C ATOM 1078 C LEU A 66 151.855 4.942 13.757 1.00 0.00 C ATOM 1079 O LEU A 66 151.360 6.028 14.059 1.00 0.00 O ATOM 1080 CB LEU A 66 152.300 4.488 11.327 1.00 0.00 C ATOM 1081 CG LEU A 66 151.560 5.631 10.625 1.00 0.00 C ATOM 1082 CD1 LEU A 66 152.505 6.407 9.717 1.00 0.00 C ATOM 1083 CD2 LEU A 66 150.376 5.094 9.834 1.00 0.00 C ATOM 0 H LEU A 66 154.007 3.070 12.439 1.00 0.00 H new ATOM 0 HA LEU A 66 153.400 5.839 12.584 1.00 0.00 H new ATOM 0 HB2 LEU A 66 153.083 4.120 10.664 1.00 0.00 H new ATOM 0 HB3 LEU A 66 151.602 3.665 11.484 1.00 0.00 H new ATOM 0 HG LEU A 66 151.183 6.314 11.387 1.00 0.00 H new ATOM 0 HD11 LEU A 66 151.959 7.214 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 66 153.318 6.826 10.310 1.00 0.00 H new ATOM 0 HD13 LEU A 66 152.916 5.737 8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 66 149.862 5.920 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 66 150.730 4.388 9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 66 149.686 4.589 10.510 1.00 0.00 H new ATOM 1095 N ASP A 67 151.497 3.795 14.343 1.00 0.00 N ATOM 1096 CA ASP A 67 150.481 3.756 15.399 1.00 0.00 C ATOM 1097 C ASP A 67 150.931 4.558 16.619 1.00 0.00 C ATOM 1098 O ASP A 67 150.123 5.222 17.267 1.00 0.00 O ATOM 1099 CB ASP A 67 150.186 2.311 15.816 1.00 0.00 C ATOM 1100 CG ASP A 67 148.963 1.740 15.123 1.00 0.00 C ATOM 1101 OD1 ASP A 67 147.859 2.291 15.314 1.00 0.00 O ATOM 1102 OD2 ASP A 67 149.109 0.739 14.391 1.00 0.00 O ATOM 0 H ASP A 67 151.893 2.886 14.105 1.00 0.00 H new ATOM 0 HA ASP A 67 149.571 4.204 14.998 1.00 0.00 H new ATOM 0 HB2 ASP A 67 151.051 1.688 15.589 1.00 0.00 H new ATOM 0 HB3 ASP A 67 150.039 2.271 16.895 1.00 0.00 H new ATOM 1107 N ARG A 68 152.227 4.487 16.924 1.00 0.00 N ATOM 1108 CA ARG A 68 152.794 5.203 18.064 1.00 0.00 C ATOM 1109 C ARG A 68 152.913 6.703 17.782 1.00 0.00 C ATOM 1110 O ARG A 68 152.792 7.522 18.696 1.00 0.00 O ATOM 1111 CB ARG A 68 154.169 4.628 18.416 1.00 0.00 C ATOM 1112 CG ARG A 68 154.385 4.422 19.906 1.00 0.00 C ATOM 1113 CD ARG A 68 153.553 3.266 20.439 1.00 0.00 C ATOM 1114 NE ARG A 68 152.427 3.727 21.252 1.00 0.00 N ATOM 1115 CZ ARG A 68 152.531 4.112 22.528 1.00 0.00 C ATOM 1116 NH1 ARG A 68 153.713 4.104 23.142 1.00 0.00 N ATOM 1117 NH2 ARG A 68 151.451 4.509 23.192 1.00 0.00 N ATOM 0 H ARG A 68 152.905 3.939 16.395 1.00 0.00 H new ATOM 0 HA ARG A 68 152.118 5.072 18.909 1.00 0.00 H new ATOM 0 HB2 ARG A 68 154.295 3.674 17.905 1.00 0.00 H new ATOM 0 HB3 ARG A 68 154.941 5.297 18.036 1.00 0.00 H new ATOM 0 HG2 ARG A 68 155.441 4.230 20.098 1.00 0.00 H new ATOM 0 HG3 ARG A 68 154.125 5.335 20.441 1.00 0.00 H new ATOM 0 HD2 ARG A 68 153.178 2.674 19.604 1.00 0.00 H new ATOM 0 HD3 ARG A 68 154.186 2.609 21.036 1.00 0.00 H new ATOM 0 HE ARG A 68 151.505 3.756 20.818 1.00 0.00 H new ATOM 0 HH11 ARG A 68 154.547 3.803 22.638 1.00 0.00 H new ATOM 0 HH12 ARG A 68 153.784 4.399 24.116 1.00 0.00 H new ATOM 0 HH21 ARG A 68 150.543 4.520 22.728 1.00 0.00 H new ATOM 0 HH22 ARG A 68 151.530 4.803 24.166 1.00 0.00 H new ATOM 1131 N SER A 69 153.157 7.059 16.519 1.00 0.00 N ATOM 1132 CA SER A 69 153.297 8.462 16.130 1.00 0.00 C ATOM 1133 C SER A 69 151.931 9.140 16.007 1.00 0.00 C ATOM 1134 O SER A 69 151.090 8.733 15.204 1.00 0.00 O ATOM 1135 CB SER A 69 154.076 8.580 14.813 1.00 0.00 C ATOM 1136 OG SER A 69 153.428 7.881 13.763 1.00 0.00 O ATOM 0 H SER A 69 153.261 6.396 15.751 1.00 0.00 H new ATOM 0 HA SER A 69 153.857 8.973 16.913 1.00 0.00 H new ATOM 0 HB2 SER A 69 154.179 9.631 14.543 1.00 0.00 H new ATOM 0 HB3 SER A 69 155.083 8.185 14.948 1.00 0.00 H new ATOM 0 HG SER A 69 152.650 7.403 14.119 1.00 0.00 H new ATOM 1142 N SER A 70 151.719 10.178 16.816 1.00 0.00 N ATOM 1143 CA SER A 70 150.458 10.923 16.815 1.00 0.00 C ATOM 1144 C SER A 70 150.359 11.866 15.612 1.00 0.00 C ATOM 1145 O SER A 70 149.260 12.152 15.134 1.00 0.00 O ATOM 1146 CB SER A 70 150.313 11.721 18.115 1.00 0.00 C ATOM 1147 OG SER A 70 151.581 12.070 18.648 1.00 0.00 O ATOM 0 H SER A 70 152.408 10.524 17.484 1.00 0.00 H new ATOM 0 HA SER A 70 149.648 10.198 16.741 1.00 0.00 H new ATOM 0 HB2 SER A 70 149.734 12.625 17.927 1.00 0.00 H new ATOM 0 HB3 SER A 70 149.758 11.133 18.846 1.00 0.00 H new ATOM 0 HG SER A 70 151.459 12.580 19.476 1.00 0.00 H new ATOM 1153 N SER A 71 151.506 12.352 15.127 1.00 0.00 N ATOM 1154 CA SER A 71 151.531 13.268 13.983 1.00 0.00 C ATOM 1155 C SER A 71 151.727 12.517 12.660 1.00 0.00 C ATOM 1156 O SER A 71 152.371 13.025 11.738 1.00 0.00 O ATOM 1157 CB SER A 71 152.635 14.321 14.168 1.00 0.00 C ATOM 1158 OG SER A 71 153.933 13.763 14.004 1.00 0.00 O ATOM 0 H SER A 71 152.426 12.127 15.507 1.00 0.00 H new ATOM 0 HA SER A 71 150.564 13.769 13.938 1.00 0.00 H new ATOM 0 HB2 SER A 71 152.493 15.127 13.448 1.00 0.00 H new ATOM 0 HB3 SER A 71 152.553 14.763 15.161 1.00 0.00 H new ATOM 0 HG SER A 71 154.608 14.463 14.127 1.00 0.00 H new ATOM 1164 N MET A 72 151.165 11.312 12.568 1.00 0.00 N ATOM 1165 CA MET A 72 151.278 10.507 11.359 1.00 0.00 C ATOM 1166 C MET A 72 150.055 9.612 11.181 1.00 0.00 C ATOM 1167 O MET A 72 149.728 8.814 12.059 1.00 0.00 O ATOM 1168 CB MET A 72 152.546 9.653 11.411 1.00 0.00 C ATOM 1169 CG MET A 72 153.518 9.946 10.283 1.00 0.00 C ATOM 1170 SD MET A 72 155.103 9.114 10.496 1.00 0.00 S ATOM 1171 CE MET A 72 155.917 10.217 11.648 1.00 0.00 C ATOM 0 H MET A 72 150.628 10.875 13.317 1.00 0.00 H new ATOM 0 HA MET A 72 151.335 11.183 10.506 1.00 0.00 H new ATOM 0 HB2 MET A 72 153.047 9.818 12.365 1.00 0.00 H new ATOM 0 HB3 MET A 72 152.267 8.600 11.376 1.00 0.00 H new ATOM 0 HG2 MET A 72 153.074 9.636 9.337 1.00 0.00 H new ATOM 0 HG3 MET A 72 153.683 11.022 10.221 1.00 0.00 H new ATOM 0 HE1 MET A 72 156.912 9.835 11.877 1.00 0.00 H new ATOM 0 HE2 MET A 72 156.003 11.209 11.204 1.00 0.00 H new ATOM 0 HE3 MET A 72 155.333 10.280 12.566 1.00 0.00 H new ATOM 1181 N LYS A 73 149.389 9.751 10.036 1.00 0.00 N ATOM 1182 CA LYS A 73 148.202 8.954 9.730 1.00 0.00 C ATOM 1183 C LYS A 73 148.415 8.135 8.457 1.00 0.00 C ATOM 1184 O LYS A 73 148.125 6.939 8.425 1.00 0.00 O ATOM 1185 CB LYS A 73 146.971 9.855 9.575 1.00 0.00 C ATOM 1186 CG LYS A 73 146.532 10.519 10.872 1.00 0.00 C ATOM 1187 CD LYS A 73 147.326 11.786 11.154 1.00 0.00 C ATOM 1188 CE LYS A 73 146.513 13.035 10.848 1.00 0.00 C ATOM 1189 NZ LYS A 73 146.379 13.268 9.382 1.00 0.00 N ATOM 0 H LYS A 73 149.652 10.410 9.303 1.00 0.00 H new ATOM 0 HA LYS A 73 148.032 8.269 10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 73 147.188 10.627 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 73 146.145 9.262 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 73 145.470 10.760 10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 73 146.657 9.820 11.699 1.00 0.00 H new ATOM 0 HD2 LYS A 73 147.634 11.798 12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 73 148.236 11.787 10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 73 145.522 12.941 11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 73 146.989 13.900 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 145.818 14.128 9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 147.323 13.384 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 145.902 12.455 8.943 1.00 0.00 H new ATOM 1203 N SER A 74 148.929 8.787 7.413 1.00 0.00 N ATOM 1204 CA SER A 74 149.188 8.117 6.142 1.00 0.00 C ATOM 1205 C SER A 74 150.541 7.402 6.166 1.00 0.00 C ATOM 1206 O SER A 74 151.302 7.529 7.127 1.00 0.00 O ATOM 1207 CB SER A 74 149.148 9.127 4.991 1.00 0.00 C ATOM 1208 OG SER A 74 149.013 8.472 3.742 1.00 0.00 O ATOM 0 H SER A 74 149.173 9.777 7.424 1.00 0.00 H new ATOM 0 HA SER A 74 148.408 7.371 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 74 148.315 9.815 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 74 150.060 9.724 4.995 1.00 0.00 H new ATOM 0 HG SER A 74 148.189 8.770 3.304 1.00 0.00 H new ATOM 1214 N LEU A 75 150.833 6.652 5.102 1.00 0.00 N ATOM 1215 CA LEU A 75 152.093 5.917 4.998 1.00 0.00 C ATOM 1216 C LEU A 75 152.900 6.387 3.789 1.00 0.00 C ATOM 1217 O LEU A 75 152.353 6.556 2.699 1.00 0.00 O ATOM 1218 CB LEU A 75 151.828 4.411 4.889 1.00 0.00 C ATOM 1219 CG LEU A 75 151.677 3.676 6.224 1.00 0.00 C ATOM 1220 CD1 LEU A 75 150.211 3.584 6.623 1.00 0.00 C ATOM 1221 CD2 LEU A 75 152.298 2.287 6.139 1.00 0.00 C ATOM 0 H LEU A 75 150.213 6.538 4.300 1.00 0.00 H new ATOM 0 HA LEU A 75 152.671 6.113 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 75 150.920 4.260 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 75 152.646 3.954 4.332 1.00 0.00 H new ATOM 0 HG LEU A 75 152.204 4.243 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 75 150.125 3.058 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 75 149.798 4.588 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 75 149.659 3.040 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 75 152.182 1.778 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 75 151.798 1.712 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 75 153.358 2.376 5.901 1.00 0.00 H new ATOM 1233 N ARG A 76 154.203 6.593 3.988 1.00 0.00 N ATOM 1234 CA ARG A 76 155.084 7.038 2.908 1.00 0.00 C ATOM 1235 C ARG A 76 155.902 5.869 2.361 1.00 0.00 C ATOM 1236 O ARG A 76 156.825 5.383 3.018 1.00 0.00 O ATOM 1237 CB ARG A 76 156.018 8.152 3.399 1.00 0.00 C ATOM 1238 CG ARG A 76 155.449 9.551 3.214 1.00 0.00 C ATOM 1239 CD ARG A 76 156.347 10.607 3.843 1.00 0.00 C ATOM 1240 NE ARG A 76 156.070 11.946 3.322 1.00 0.00 N ATOM 1241 CZ ARG A 76 155.029 12.696 3.698 1.00 0.00 C ATOM 1242 NH1 ARG A 76 154.151 12.237 4.589 1.00 0.00 N ATOM 1243 NH2 ARG A 76 154.865 13.909 3.179 1.00 0.00 N ATOM 0 H ARG A 76 154.670 6.459 4.885 1.00 0.00 H new ATOM 0 HA ARG A 76 154.462 7.432 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 76 156.234 7.994 4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 76 156.966 8.081 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 76 155.331 9.759 2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 76 154.456 9.603 3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 76 156.208 10.603 4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 76 157.390 10.354 3.655 1.00 0.00 H new ATOM 0 HE ARG A 76 156.711 12.331 2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 76 154.270 11.307 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 76 153.360 12.816 4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 76 155.533 14.266 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 76 154.071 14.483 3.464 1.00 0.00 H new ATOM 1257 N ILE A 77 155.553 5.421 1.154 1.00 0.00 N ATOM 1258 CA ILE A 77 156.248 4.306 0.514 1.00 0.00 C ATOM 1259 C ILE A 77 156.662 4.669 -0.913 1.00 0.00 C ATOM 1260 O ILE A 77 155.855 5.183 -1.692 1.00 0.00 O ATOM 1261 CB ILE A 77 155.368 3.034 0.479 1.00 0.00 C ATOM 1262 CG1 ILE A 77 154.805 2.727 1.872 1.00 0.00 C ATOM 1263 CG2 ILE A 77 156.163 1.845 -0.046 1.00 0.00 C ATOM 1264 CD1 ILE A 77 153.451 2.050 1.842 1.00 0.00 C ATOM 0 H ILE A 77 154.792 5.815 0.600 1.00 0.00 H new ATOM 0 HA ILE A 77 157.138 4.101 1.109 1.00 0.00 H new ATOM 0 HB ILE A 77 154.533 3.217 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 77 155.509 2.090 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 77 154.725 3.657 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 77 155.526 0.960 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 77 156.514 2.059 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 77 157.019 1.664 0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 77 153.115 1.863 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 77 152.733 2.695 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 77 153.529 1.104 1.307 1.00 0.00 H new ATOM 1276 N LEU A 78 157.923 4.396 -1.247 1.00 0.00 N ATOM 1277 CA LEU A 78 158.450 4.689 -2.576 1.00 0.00 C ATOM 1278 C LEU A 78 158.520 3.417 -3.419 1.00 0.00 C ATOM 1279 O LEU A 78 159.207 2.459 -3.059 1.00 0.00 O ATOM 1280 CB LEU A 78 159.841 5.327 -2.467 1.00 0.00 C ATOM 1281 CG LEU A 78 159.871 6.857 -2.562 1.00 0.00 C ATOM 1282 CD1 LEU A 78 159.094 7.487 -1.413 1.00 0.00 C ATOM 1283 CD2 LEU A 78 161.308 7.361 -2.573 1.00 0.00 C ATOM 0 H LEU A 78 158.599 3.971 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 78 157.776 5.392 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 78 160.285 5.030 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 78 160.473 4.918 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 78 159.393 7.150 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 78 159.130 8.573 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 78 158.057 7.154 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 78 159.539 7.186 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 78 161.312 8.449 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 78 161.809 7.053 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 78 161.834 6.942 -3.431 1.00 0.00 H new ATOM 1295 N LEU A 79 157.797 3.413 -4.539 1.00 0.00 N ATOM 1296 CA LEU A 79 157.768 2.256 -5.433 1.00 0.00 C ATOM 1297 C LEU A 79 158.814 2.389 -6.540 1.00 0.00 C ATOM 1298 O LEU A 79 158.891 3.419 -7.212 1.00 0.00 O ATOM 1299 CB LEU A 79 156.371 2.092 -6.047 1.00 0.00 C ATOM 1300 CG LEU A 79 155.206 2.188 -5.053 1.00 0.00 C ATOM 1301 CD1 LEU A 79 153.981 2.800 -5.718 1.00 0.00 C ATOM 1302 CD2 LEU A 79 154.877 0.817 -4.478 1.00 0.00 C ATOM 0 H LEU A 79 157.224 4.198 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 79 158.005 1.370 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 79 156.237 2.854 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 79 156.322 1.125 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 79 155.509 2.839 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 79 153.166 2.859 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 79 154.223 3.801 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 79 153.675 2.179 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 79 154.048 0.906 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 79 154.596 0.141 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 79 155.750 0.420 -3.960 1.00 0.00 H new ATOM 1314 N LEU A 80 159.621 1.341 -6.718 1.00 0.00 N ATOM 1315 CA LEU A 80 160.669 1.336 -7.738 1.00 0.00 C ATOM 1316 C LEU A 80 160.739 -0.016 -8.448 1.00 0.00 C ATOM 1317 O LEU A 80 160.704 -1.065 -7.804 1.00 0.00 O ATOM 1318 CB LEU A 80 162.028 1.660 -7.105 1.00 0.00 C ATOM 1319 CG LEU A 80 162.203 3.111 -6.646 1.00 0.00 C ATOM 1320 CD1 LEU A 80 161.769 3.273 -5.196 1.00 0.00 C ATOM 1321 CD2 LEU A 80 163.648 3.556 -6.828 1.00 0.00 C ATOM 0 H LEU A 80 159.568 0.484 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 80 160.423 2.101 -8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 80 162.177 1.004 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 80 162.812 1.426 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 80 161.567 3.746 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 80 161.902 4.311 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 80 160.719 2.997 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 80 162.375 2.627 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 80 163.755 4.589 -6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 80 164.303 2.916 -6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 80 163.922 3.482 -7.880 1.00 0.00 H new ATOM 1333 N SER A 81 160.842 0.017 -9.777 1.00 0.00 N ATOM 1334 CA SER A 81 160.923 -1.208 -10.578 1.00 0.00 C ATOM 1335 C SER A 81 162.283 -1.885 -10.406 1.00 0.00 C ATOM 1336 O SER A 81 163.244 -1.258 -9.956 1.00 0.00 O ATOM 1337 CB SER A 81 160.675 -0.896 -12.059 1.00 0.00 C ATOM 1338 OG SER A 81 161.096 0.420 -12.386 1.00 0.00 O ATOM 0 H SER A 81 160.871 0.878 -10.323 1.00 0.00 H new ATOM 0 HA SER A 81 160.151 -1.892 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 81 161.209 -1.616 -12.679 1.00 0.00 H new ATOM 0 HB3 SER A 81 159.614 -1.007 -12.284 1.00 0.00 H new ATOM 0 HG SER A 81 160.928 0.591 -13.336 1.00 0.00 H new ATOM 1344 N GLN A 82 162.351 -3.173 -10.759 1.00 0.00 N ATOM 1345 CA GLN A 82 163.584 -3.952 -10.639 1.00 0.00 C ATOM 1346 C GLN A 82 164.000 -4.083 -9.172 1.00 0.00 C ATOM 1347 O GLN A 82 164.928 -3.414 -8.713 1.00 0.00 O ATOM 1348 CB GLN A 82 164.712 -3.314 -11.461 1.00 0.00 C ATOM 1349 CG GLN A 82 165.991 -4.137 -11.481 1.00 0.00 C ATOM 1350 CD GLN A 82 167.235 -3.286 -11.311 1.00 0.00 C ATOM 1351 OE1 GLN A 82 167.957 -3.025 -12.273 1.00 0.00 O ATOM 1352 NE2 GLN A 82 167.492 -2.849 -10.083 1.00 0.00 N ATOM 0 H GLN A 82 161.561 -3.699 -11.132 1.00 0.00 H new ATOM 0 HA GLN A 82 163.394 -4.950 -11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 82 164.367 -3.169 -12.485 1.00 0.00 H new ATOM 0 HB3 GLN A 82 164.932 -2.326 -11.056 1.00 0.00 H new ATOM 0 HG2 GLN A 82 165.953 -4.881 -10.685 1.00 0.00 H new ATOM 0 HG3 GLN A 82 166.054 -4.681 -12.423 1.00 0.00 H new ATOM 0 HE21 GLN A 82 166.866 -3.090 -9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 82 168.315 -2.273 -9.909 1.00 0.00 H new ATOM 1361 N ASP A 83 163.303 -4.949 -8.442 1.00 0.00 N ATOM 1362 CA ASP A 83 163.589 -5.174 -7.029 1.00 0.00 C ATOM 1363 C ASP A 83 164.895 -5.946 -6.841 1.00 0.00 C ATOM 1364 O ASP A 83 165.567 -6.299 -7.811 1.00 0.00 O ATOM 1365 CB ASP A 83 162.424 -5.923 -6.368 1.00 0.00 C ATOM 1366 CG ASP A 83 162.313 -7.374 -6.811 1.00 0.00 C ATOM 1367 OD1 ASP A 83 162.523 -7.653 -8.012 1.00 0.00 O ATOM 1368 OD2 ASP A 83 162.010 -8.231 -5.956 1.00 0.00 O ATOM 0 H ASP A 83 162.533 -5.509 -8.808 1.00 0.00 H new ATOM 0 HA ASP A 83 163.706 -4.203 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 83 162.547 -5.889 -5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 83 161.492 -5.407 -6.599 1.00 0.00 H new ATOM 1373 N ARG A 84 165.243 -6.197 -5.578 1.00 0.00 N ATOM 1374 CA ARG A 84 166.467 -6.921 -5.231 1.00 0.00 C ATOM 1375 C ARG A 84 167.708 -6.185 -5.745 1.00 0.00 C ATOM 1376 O ARG A 84 168.352 -6.623 -6.702 1.00 0.00 O ATOM 1377 CB ARG A 84 166.429 -8.351 -5.787 1.00 0.00 C ATOM 1378 CG ARG A 84 165.515 -9.286 -5.010 1.00 0.00 C ATOM 1379 CD ARG A 84 164.656 -10.128 -5.942 1.00 0.00 C ATOM 1380 NE ARG A 84 163.965 -11.206 -5.230 1.00 0.00 N ATOM 1381 CZ ARG A 84 163.346 -12.228 -5.831 1.00 0.00 C ATOM 1382 NH1 ARG A 84 163.309 -12.315 -7.159 1.00 0.00 N ATOM 1383 NH2 ARG A 84 162.757 -13.167 -5.097 1.00 0.00 N ATOM 0 H ARG A 84 164.689 -5.907 -4.772 1.00 0.00 H new ATOM 0 HA ARG A 84 166.526 -6.971 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 84 166.102 -8.319 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 84 167.440 -8.760 -5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 84 166.115 -9.940 -4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 84 164.873 -8.703 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 84 163.922 -9.490 -6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 84 165.282 -10.555 -6.725 1.00 0.00 H new ATOM 0 HE ARG A 84 163.955 -11.175 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 84 163.756 -11.597 -7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 84 162.834 -13.099 -7.606 1.00 0.00 H new ATOM 0 HH21 ARG A 84 162.778 -13.107 -4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 84 162.284 -13.948 -5.552 1.00 0.00 H new ATOM 1397 N ASN A 85 168.037 -5.063 -5.103 1.00 0.00 N ATOM 1398 CA ASN A 85 169.200 -4.265 -5.491 1.00 0.00 C ATOM 1399 C ASN A 85 170.450 -4.718 -4.737 1.00 0.00 C ATOM 1400 O ASN A 85 170.493 -4.675 -3.506 1.00 0.00 O ATOM 1401 CB ASN A 85 168.937 -2.777 -5.229 1.00 0.00 C ATOM 1402 CG ASN A 85 168.694 -1.999 -6.509 1.00 0.00 C ATOM 1403 OD1 ASN A 85 167.680 -2.190 -7.180 1.00 0.00 O ATOM 1404 ND2 ASN A 85 169.624 -1.115 -6.855 1.00 0.00 N ATOM 0 H ASN A 85 167.514 -4.687 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 85 169.371 -4.412 -6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 85 168.072 -2.673 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 85 169.789 -2.347 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 85 169.512 -0.563 -7.706 1.00 0.00 H new ATOM 0 HD22 ASN A 85 170.450 -0.988 -6.270 1.00 0.00 H new ATOM 1411 N LEU A 86 171.462 -5.156 -5.487 1.00 0.00 N ATOM 1412 CA LEU A 86 172.720 -5.624 -4.902 1.00 0.00 C ATOM 1413 C LEU A 86 173.440 -4.500 -4.162 1.00 0.00 C ATOM 1414 O LEU A 86 173.354 -3.333 -4.551 1.00 0.00 O ATOM 1415 CB LEU A 86 173.638 -6.186 -5.993 1.00 0.00 C ATOM 1416 CG LEU A 86 173.690 -7.712 -6.076 1.00 0.00 C ATOM 1417 CD1 LEU A 86 172.400 -8.260 -6.670 1.00 0.00 C ATOM 1418 CD2 LEU A 86 174.891 -8.160 -6.896 1.00 0.00 C ATOM 0 H LEU A 86 171.435 -5.197 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 86 172.479 -6.411 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 86 173.311 -5.796 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 86 174.648 -5.812 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 86 173.796 -8.109 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 86 172.456 -9.347 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 86 171.558 -7.969 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 86 172.261 -7.856 -7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 86 174.913 -9.249 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 86 174.815 -7.753 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 86 175.807 -7.800 -6.427 1.00 0.00 H new ATOM 1430 N GLU A 87 174.159 -4.862 -3.097 1.00 0.00 N ATOM 1431 CA GLU A 87 174.909 -3.889 -2.301 1.00 0.00 C ATOM 1432 C GLU A 87 175.892 -3.102 -3.174 1.00 0.00 C ATOM 1433 O GLU A 87 176.120 -1.914 -2.943 1.00 0.00 O ATOM 1434 CB GLU A 87 175.664 -4.590 -1.165 1.00 0.00 C ATOM 1435 CG GLU A 87 174.766 -5.063 -0.031 1.00 0.00 C ATOM 1436 CD GLU A 87 174.747 -4.102 1.144 1.00 0.00 C ATOM 1437 OE1 GLU A 87 174.316 -2.944 0.958 1.00 0.00 O ATOM 1438 OE2 GLU A 87 175.161 -4.509 2.250 1.00 0.00 O ATOM 0 H GLU A 87 174.237 -5.824 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 87 174.193 -3.188 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 87 176.201 -5.447 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 87 176.412 -3.907 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 87 173.751 -5.191 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 87 175.105 -6.041 0.311 1.00 0.00 H new ATOM 1445 N HIS A 88 176.470 -3.769 -4.179 1.00 0.00 N ATOM 1446 CA HIS A 88 177.422 -3.123 -5.081 1.00 0.00 C ATOM 1447 C HIS A 88 176.912 -3.140 -6.526 1.00 0.00 C ATOM 1448 O HIS A 88 177.554 -3.702 -7.416 1.00 0.00 O ATOM 1449 CB HIS A 88 178.788 -3.811 -4.992 1.00 0.00 C ATOM 1450 CG HIS A 88 179.668 -3.259 -3.914 1.00 0.00 C ATOM 1451 ND1 HIS A 88 180.874 -2.640 -4.170 1.00 0.00 N ATOM 1452 CD2 HIS A 88 179.515 -3.238 -2.568 1.00 0.00 C ATOM 1453 CE1 HIS A 88 181.424 -2.263 -3.029 1.00 0.00 C ATOM 1454 NE2 HIS A 88 180.619 -2.614 -2.044 1.00 0.00 N ATOM 0 H HIS A 88 176.294 -4.752 -4.386 1.00 0.00 H new ATOM 0 HA HIS A 88 177.529 -2.083 -4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 88 178.638 -4.876 -4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 88 179.298 -3.714 -5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 88 178.680 -3.638 -2.012 1.00 0.00 H new ATOM 0 HE1 HIS A 88 182.371 -1.754 -2.921 1.00 0.00 H new ATOM 0 HE2 HIS A 88 180.790 -2.448 -1.052 1.00 0.00 H new ATOM 1463 N HIS A 89 175.756 -2.514 -6.752 1.00 0.00 N ATOM 1464 CA HIS A 89 175.160 -2.451 -8.090 1.00 0.00 C ATOM 1465 C HIS A 89 176.066 -1.678 -9.048 1.00 0.00 C ATOM 1466 O HIS A 89 176.477 -2.202 -10.084 1.00 0.00 O ATOM 1467 CB HIS A 89 173.777 -1.793 -8.026 1.00 0.00 C ATOM 1468 CG HIS A 89 172.995 -1.891 -9.302 1.00 0.00 C ATOM 1469 ND1 HIS A 89 171.738 -2.453 -9.372 1.00 0.00 N ATOM 1470 CD2 HIS A 89 173.292 -1.484 -10.560 1.00 0.00 C ATOM 1471 CE1 HIS A 89 171.297 -2.390 -10.616 1.00 0.00 C ATOM 1472 NE2 HIS A 89 172.221 -1.805 -11.357 1.00 0.00 N ATOM 0 H HIS A 89 175.213 -2.044 -6.028 1.00 0.00 H new ATOM 0 HA HIS A 89 175.049 -3.469 -8.464 1.00 0.00 H new ATOM 0 HB2 HIS A 89 173.203 -2.256 -7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 89 173.898 -0.741 -7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 89 174.203 -0.997 -10.877 1.00 0.00 H new ATOM 0 HE1 HIS A 89 170.343 -2.755 -10.967 1.00 0.00 H new ATOM 0 HE2 HIS A 89 172.150 -1.622 -12.358 1.00 0.00 H new ATOM 1481 N HIS A 90 176.378 -0.432 -8.682 1.00 0.00 N ATOM 1482 CA HIS A 90 177.245 0.430 -9.486 1.00 0.00 C ATOM 1483 C HIS A 90 176.608 0.783 -10.831 1.00 0.00 C ATOM 1484 O HIS A 90 176.541 -0.051 -11.737 1.00 0.00 O ATOM 1485 CB HIS A 90 178.606 -0.242 -9.703 1.00 0.00 C ATOM 1486 CG HIS A 90 179.764 0.637 -9.349 1.00 0.00 C ATOM 1487 ND1 HIS A 90 180.881 0.180 -8.680 1.00 0.00 N ATOM 1488 CD2 HIS A 90 179.974 1.956 -9.570 1.00 0.00 C ATOM 1489 CE1 HIS A 90 181.725 1.180 -8.503 1.00 0.00 C ATOM 1490 NE2 HIS A 90 181.199 2.268 -9.035 1.00 0.00 N ATOM 0 H HIS A 90 176.039 0.005 -7.825 1.00 0.00 H new ATOM 0 HA HIS A 90 177.387 1.360 -8.936 1.00 0.00 H new ATOM 0 HB2 HIS A 90 178.653 -1.152 -9.105 1.00 0.00 H new ATOM 0 HB3 HIS A 90 178.693 -0.542 -10.747 1.00 0.00 H new ATOM 0 HD2 HIS A 90 179.303 2.636 -10.073 1.00 0.00 H new ATOM 0 HE1 HIS A 90 182.683 1.118 -8.007 1.00 0.00 H new ATOM 0 HE2 HIS A 90 181.633 3.191 -9.047 1.00 0.00 H new ATOM 1499 N HIS A 91 176.144 2.030 -10.953 1.00 0.00 N ATOM 1500 CA HIS A 91 175.515 2.501 -12.188 1.00 0.00 C ATOM 1501 C HIS A 91 175.498 4.031 -12.263 1.00 0.00 C ATOM 1502 O HIS A 91 175.557 4.714 -11.239 1.00 0.00 O ATOM 1503 CB HIS A 91 174.083 1.965 -12.294 1.00 0.00 C ATOM 1504 CG HIS A 91 173.645 1.692 -13.701 1.00 0.00 C ATOM 1505 ND1 HIS A 91 174.493 1.209 -14.676 1.00 0.00 N ATOM 1506 CD2 HIS A 91 172.437 1.842 -14.298 1.00 0.00 C ATOM 1507 CE1 HIS A 91 173.828 1.076 -15.810 1.00 0.00 C ATOM 1508 NE2 HIS A 91 172.579 1.453 -15.607 1.00 0.00 N ATOM 0 H HIS A 91 176.192 2.730 -10.212 1.00 0.00 H new ATOM 0 HA HIS A 91 176.108 2.125 -13.022 1.00 0.00 H new ATOM 0 HB2 HIS A 91 174.005 1.046 -11.714 1.00 0.00 H new ATOM 0 HB3 HIS A 91 173.400 2.686 -11.844 1.00 0.00 H new ATOM 0 HD2 HIS A 91 171.532 2.201 -13.831 1.00 0.00 H new ATOM 0 HE1 HIS A 91 174.237 0.720 -16.744 1.00 0.00 H new ATOM 0 HE2 HIS A 91 171.839 1.455 -16.309 1.00 0.00 H new ATOM 1517 N HIS A 92 175.405 4.557 -13.488 1.00 0.00 N ATOM 1518 CA HIS A 92 175.364 6.003 -13.715 1.00 0.00 C ATOM 1519 C HIS A 92 174.825 6.319 -15.112 1.00 0.00 C ATOM 1520 O HIS A 92 175.116 5.606 -16.074 1.00 0.00 O ATOM 1521 CB HIS A 92 176.753 6.632 -13.517 1.00 0.00 C ATOM 1522 CG HIS A 92 177.809 6.139 -14.464 1.00 0.00 C ATOM 1523 ND1 HIS A 92 178.864 6.924 -14.882 1.00 0.00 N ATOM 1524 CD2 HIS A 92 177.980 4.935 -15.063 1.00 0.00 C ATOM 1525 CE1 HIS A 92 179.635 6.227 -15.697 1.00 0.00 C ATOM 1526 NE2 HIS A 92 179.121 5.017 -15.823 1.00 0.00 N ATOM 0 H HIS A 92 175.357 3.999 -14.341 1.00 0.00 H new ATOM 0 HA HIS A 92 174.687 6.438 -12.980 1.00 0.00 H new ATOM 0 HB2 HIS A 92 176.665 7.713 -13.624 1.00 0.00 H new ATOM 0 HB3 HIS A 92 177.082 6.438 -12.496 1.00 0.00 H new ATOM 0 HD2 HIS A 92 177.339 4.072 -14.961 1.00 0.00 H new ATOM 0 HE1 HIS A 92 180.533 6.586 -16.178 1.00 0.00 H new ATOM 0 HE2 HIS A 92 179.509 4.265 -16.393 1.00 0.00 H new ATOM 1535 N HIS A 93 174.032 7.388 -15.213 1.00 0.00 N ATOM 1536 CA HIS A 93 173.446 7.795 -16.492 1.00 0.00 C ATOM 1537 C HIS A 93 174.447 8.580 -17.338 1.00 0.00 C ATOM 1538 O HIS A 93 174.365 8.488 -18.580 1.00 0.00 O ATOM 1539 CB HIS A 93 172.188 8.639 -16.263 1.00 0.00 C ATOM 1540 CG HIS A 93 170.987 7.838 -15.862 1.00 0.00 C ATOM 1541 ND1 HIS A 93 170.291 8.057 -14.691 1.00 0.00 N ATOM 1542 CD2 HIS A 93 170.353 6.818 -16.488 1.00 0.00 C ATOM 1543 CE1 HIS A 93 169.283 7.207 -14.614 1.00 0.00 C ATOM 1544 NE2 HIS A 93 169.297 6.445 -15.692 1.00 0.00 N ATOM 1545 OXT HIS A 93 175.304 9.278 -16.753 1.00 0.00 O ATOM 0 H HIS A 93 173.781 7.986 -14.426 1.00 0.00 H new ATOM 0 HA HIS A 93 173.176 6.888 -17.033 1.00 0.00 H new ATOM 0 HB2 HIS A 93 172.394 9.379 -15.490 1.00 0.00 H new ATOM 0 HB3 HIS A 93 171.959 9.188 -17.176 1.00 0.00 H new ATOM 0 HD2 HIS A 93 170.627 6.379 -17.436 1.00 0.00 H new ATOM 0 HE1 HIS A 93 168.569 7.146 -13.806 1.00 0.00 H new ATOM 0 HE2 HIS A 93 168.632 5.700 -15.900 1.00 0.00 H new TER 1554 HIS A 93