USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 987 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 59 SER OG : rot 180:sc= 0.222 USER MOD Set 1.2: A 103 THR OG1 : rot -76:sc= 0.238 USER MOD Set 2.1: A 45 MET CE :methyl 180:sc= -1.07 (180deg=-1.05) USER MOD Set 2.2: A 90 TYR OH : rot 130:sc= -0.016 USER MOD Single : A 1 MET CE :methyl -168:sc=-0.000766 (180deg=-0.172) USER MOD Single : A 1 MET N :NH3+ -110:sc= -0.6 (180deg=-1.69) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.795 K(o=0.8,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.082 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 26 TYR OH : rot -50:sc= -0.784 USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 0.986 (180deg=0.891) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0425) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0416 K(o=-0.042,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -0.226 K(o=-0.23,f=-0.86) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.298 K(o=0.3,f=-4.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.665 K(o=0.67,f=-4.5!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.474 K(o=-0.47,f=-1.3) USER MOD Single : A 116 HIS : no HD1:sc= 0.788 K(o=0.79,f=-3.1!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.610 2.609 0.202 1.00 0.00 N ATOM 2 CA MET A 1 23.044 3.206 -1.024 1.00 0.00 C ATOM 3 C MET A 1 21.847 4.092 -0.656 1.00 0.00 C ATOM 4 O MET A 1 20.897 4.218 -1.447 1.00 0.00 O ATOM 5 CB MET A 1 22.624 2.121 -2.013 1.00 0.00 C ATOM 6 CG MET A 1 23.774 1.290 -2.563 1.00 0.00 C ATOM 7 SD MET A 1 23.230 0.055 -3.761 1.00 0.00 S ATOM 8 CE MET A 1 22.406 -1.117 -2.688 1.00 0.00 C ATOM 0 H1 MET A 1 24.539 3.034 0.398 1.00 0.00 H new ATOM 0 H2 MET A 1 22.971 2.788 1.002 1.00 0.00 H new ATOM 0 H3 MET A 1 23.720 1.583 0.070 1.00 0.00 H new ATOM 0 HA MET A 1 23.808 3.817 -1.505 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.913 1.456 -1.523 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.100 2.589 -2.846 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.502 1.951 -3.034 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.283 0.791 -1.738 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.203 -2.035 -3.240 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.046 -1.341 -1.834 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.467 -0.690 -2.336 1.00 0.00 H new ATOM 20 N SER A 2 21.881 4.664 0.560 1.00 0.00 N ATOM 21 CA SER A 2 20.692 5.236 1.208 1.00 0.00 C ATOM 22 C SER A 2 19.872 5.972 0.136 1.00 0.00 C ATOM 23 O SER A 2 20.424 6.740 -0.663 1.00 0.00 O ATOM 24 CB SER A 2 21.085 6.172 2.334 1.00 0.00 C ATOM 25 OG SER A 2 21.783 5.505 3.352 1.00 0.00 O ATOM 0 H SER A 2 22.731 4.742 1.118 1.00 0.00 H new ATOM 0 HA SER A 2 20.092 4.442 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.704 6.977 1.937 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.190 6.634 2.751 1.00 0.00 H new ATOM 0 HG SER A 2 22.020 6.142 4.058 1.00 0.00 H new ATOM 31 N GLY A 3 18.573 5.654 0.077 1.00 0.00 N ATOM 32 CA GLY A 3 17.679 6.151 -0.962 1.00 0.00 C ATOM 33 C GLY A 3 16.973 7.392 -0.490 1.00 0.00 C ATOM 34 O GLY A 3 17.498 8.149 0.324 1.00 0.00 O ATOM 0 H GLY A 3 18.116 5.042 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.247 6.369 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.949 5.384 -1.221 1.00 0.00 H new ATOM 38 N LYS A 4 15.764 7.593 -1.028 1.00 0.00 N ATOM 39 CA LYS A 4 14.925 8.751 -0.723 1.00 0.00 C ATOM 40 C LYS A 4 13.817 8.369 0.259 1.00 0.00 C ATOM 41 O LYS A 4 13.392 7.199 0.320 1.00 0.00 O ATOM 42 CB LYS A 4 14.322 9.332 -2.004 1.00 0.00 C ATOM 43 CG LYS A 4 15.345 9.896 -2.980 1.00 0.00 C ATOM 44 CD LYS A 4 14.674 10.428 -4.239 1.00 0.00 C ATOM 45 CE LYS A 4 15.697 10.968 -5.227 1.00 0.00 C ATOM 46 NZ LYS A 4 15.055 11.477 -6.469 1.00 0.00 N ATOM 0 H LYS A 4 15.339 6.948 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 4 15.552 9.513 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.749 8.553 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.620 10.122 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.907 10.697 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 4 16.062 9.120 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.096 9.632 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.971 11.217 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.266 11.770 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.406 10.181 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.786 11.836 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.533 10.706 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.397 12.246 -6.230 1.00 0.00 H new ATOM 60 N LYS A 5 13.359 9.362 1.018 1.00 0.00 N ATOM 61 CA LYS A 5 12.290 9.188 1.989 1.00 0.00 C ATOM 62 C LYS A 5 10.985 9.299 1.184 1.00 0.00 C ATOM 63 O LYS A 5 10.834 10.197 0.355 1.00 0.00 O ATOM 64 CB LYS A 5 12.359 10.231 3.106 1.00 0.00 C ATOM 65 CG LYS A 5 11.425 9.961 4.277 1.00 0.00 C ATOM 66 CD LYS A 5 11.648 10.956 5.405 1.00 0.00 C ATOM 67 CE LYS A 5 10.767 12.186 5.242 1.00 0.00 C ATOM 68 NZ LYS A 5 10.934 13.144 6.370 1.00 0.00 N ATOM 0 H LYS A 5 13.723 10.314 0.974 1.00 0.00 H new ATOM 0 HA LYS A 5 12.366 8.226 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.383 10.281 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.124 11.210 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.390 10.017 3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.585 8.948 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.435 10.478 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.695 11.257 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.010 12.685 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.723 11.879 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.317 13.967 6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.678 12.677 7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.925 13.458 6.415 1.00 0.00 H new ATOM 82 N VAL A 6 10.097 8.322 1.387 1.00 0.00 N ATOM 83 CA VAL A 6 8.743 8.293 0.803 1.00 0.00 C ATOM 84 C VAL A 6 7.734 8.072 1.931 1.00 0.00 C ATOM 85 O VAL A 6 7.986 7.283 2.846 1.00 0.00 O ATOM 86 CB VAL A 6 8.585 7.189 -0.259 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.010 5.842 0.307 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.148 7.129 -0.753 1.00 0.00 C ATOM 0 H VAL A 6 10.298 7.511 1.972 1.00 0.00 H new ATOM 0 HA VAL A 6 8.567 9.244 0.301 1.00 0.00 H new ATOM 0 HB VAL A 6 9.231 7.427 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.892 5.073 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.054 5.890 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.388 5.597 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.054 6.344 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.484 6.913 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.875 8.087 -1.195 1.00 0.00 H new ATOM 98 N GLU A 7 6.594 8.764 1.871 1.00 0.00 N ATOM 99 CA GLU A 7 5.505 8.575 2.827 1.00 0.00 C ATOM 100 C GLU A 7 4.373 7.836 2.110 1.00 0.00 C ATOM 101 O GLU A 7 4.057 8.107 0.940 1.00 0.00 O ATOM 102 CB GLU A 7 5.016 9.912 3.388 1.00 0.00 C ATOM 103 CG GLU A 7 6.003 10.602 4.319 1.00 0.00 C ATOM 104 CD GLU A 7 5.394 11.821 4.954 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.277 12.142 4.628 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.000 12.367 5.846 1.00 0.00 O ATOM 0 H GLU A 7 6.402 9.469 1.159 1.00 0.00 H new ATOM 0 HA GLU A 7 5.858 7.991 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.791 10.580 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.082 9.747 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.322 9.906 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.895 10.887 3.761 1.00 0.00 H new ATOM 113 N VAL A 8 3.797 6.882 2.844 1.00 0.00 N ATOM 114 CA VAL A 8 2.723 6.005 2.388 1.00 0.00 C ATOM 115 C VAL A 8 1.484 6.266 3.258 1.00 0.00 C ATOM 116 O VAL A 8 1.527 6.067 4.474 1.00 0.00 O ATOM 117 CB VAL A 8 3.114 4.517 2.465 1.00 0.00 C ATOM 118 CG1 VAL A 8 1.959 3.638 2.011 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.350 4.247 1.621 1.00 0.00 C ATOM 0 H VAL A 8 4.078 6.694 3.807 1.00 0.00 H new ATOM 0 HA VAL A 8 2.516 6.225 1.341 1.00 0.00 H new ATOM 0 HB VAL A 8 3.344 4.275 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.253 2.590 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.096 3.811 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.699 3.882 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.612 3.191 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.145 4.506 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.180 4.850 1.988 1.00 0.00 H new ATOM 129 N GLN A 9 0.389 6.729 2.634 1.00 0.00 N ATOM 130 CA GLN A 9 -0.870 6.989 3.341 1.00 0.00 C ATOM 131 C GLN A 9 -1.837 5.852 3.014 1.00 0.00 C ATOM 132 O GLN A 9 -2.216 5.676 1.856 1.00 0.00 O ATOM 133 CB GLN A 9 -1.472 8.338 2.936 1.00 0.00 C ATOM 134 CG GLN A 9 -0.587 9.532 3.244 1.00 0.00 C ATOM 135 CD GLN A 9 -1.195 10.840 2.773 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.335 10.877 2.303 1.00 0.00 O ATOM 137 NE2 GLN A 9 -0.436 11.923 2.895 1.00 0.00 N ATOM 0 H GLN A 9 0.353 6.931 1.635 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.683 7.034 4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.683 8.323 1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.426 8.466 3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.411 9.583 4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.384 9.394 2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.502 11.847 3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.791 12.831 2.594 1.00 0.00 H new ATOM 146 N VAL A 10 -2.196 5.059 4.033 1.00 0.00 N ATOM 147 CA VAL A 10 -3.056 3.878 3.869 1.00 0.00 C ATOM 148 C VAL A 10 -4.397 4.144 4.563 1.00 0.00 C ATOM 149 O VAL A 10 -4.446 4.406 5.777 1.00 0.00 O ATOM 150 CB VAL A 10 -2.413 2.605 4.450 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.325 1.405 4.242 1.00 0.00 C ATOM 152 CG2 VAL A 10 -1.053 2.355 3.814 1.00 0.00 C ATOM 0 H VAL A 10 -1.898 5.218 4.995 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.201 3.708 2.802 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.271 2.750 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.855 0.514 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.277 1.581 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.497 1.259 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.614 1.451 4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.172 2.231 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.398 3.203 4.011 1.00 0.00 H new ATOM 162 N LYS A 11 -5.477 4.113 3.772 1.00 0.00 N ATOM 163 CA LYS A 11 -6.839 4.328 4.252 1.00 0.00 C ATOM 164 C LYS A 11 -7.646 3.054 3.979 1.00 0.00 C ATOM 165 O LYS A 11 -7.800 2.649 2.828 1.00 0.00 O ATOM 166 CB LYS A 11 -7.483 5.540 3.576 1.00 0.00 C ATOM 167 CG LYS A 11 -8.847 5.921 4.136 1.00 0.00 C ATOM 168 CD LYS A 11 -9.528 6.967 3.266 1.00 0.00 C ATOM 169 CE LYS A 11 -10.851 7.414 3.871 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.531 8.437 3.030 1.00 0.00 N ATOM 0 H LYS A 11 -5.424 3.935 2.769 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.823 4.538 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.812 6.394 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.586 5.335 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.476 5.034 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.732 6.306 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.871 7.828 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.701 6.558 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.505 6.550 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.675 7.822 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.428 8.714 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.918 9.272 2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.722 8.040 2.088 1.00 0.00 H new ATOM 184 N ILE A 12 -8.148 2.422 5.038 1.00 0.00 N ATOM 185 CA ILE A 12 -8.939 1.190 4.942 1.00 0.00 C ATOM 186 C ILE A 12 -10.257 1.338 5.725 1.00 0.00 C ATOM 187 O ILE A 12 -10.280 1.853 6.845 1.00 0.00 O ATOM 188 CB ILE A 12 -8.162 -0.029 5.474 1.00 0.00 C ATOM 189 CG1 ILE A 12 -9.019 -1.293 5.378 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.718 0.209 6.909 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.247 -2.572 5.605 1.00 0.00 C ATOM 0 H ILE A 12 -8.018 2.750 5.995 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.155 1.024 3.886 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.274 -0.169 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.824 -1.231 6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.485 -1.331 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.170 -0.662 7.270 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.072 1.086 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.593 0.374 7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.922 -3.424 5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.458 -2.659 4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.803 -2.557 6.600 1.00 0.00 H new ATOM 203 N THR A 13 -11.365 0.918 5.092 1.00 0.00 N ATOM 204 CA THR A 13 -12.700 0.968 5.690 1.00 0.00 C ATOM 205 C THR A 13 -13.095 -0.455 6.131 1.00 0.00 C ATOM 206 O THR A 13 -12.968 -1.406 5.352 1.00 0.00 O ATOM 207 CB THR A 13 -13.752 1.525 4.714 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.394 2.861 4.333 1.00 0.00 O ATOM 209 CG2 THR A 13 -15.128 1.538 5.361 1.00 0.00 C ATOM 0 H THR A 13 -11.355 0.533 4.147 1.00 0.00 H new ATOM 0 HA THR A 13 -12.669 1.642 6.546 1.00 0.00 H new ATOM 0 HB THR A 13 -13.783 0.884 3.833 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.063 3.214 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.858 1.935 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.408 0.522 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.105 2.166 6.252 1.00 0.00 H new ATOM 217 N CYS A 14 -13.539 -0.590 7.392 1.00 0.00 N ATOM 218 CA CYS A 14 -14.043 -1.859 7.957 1.00 0.00 C ATOM 219 C CYS A 14 -15.104 -1.543 9.029 1.00 0.00 C ATOM 220 O CYS A 14 -14.923 -0.621 9.836 1.00 0.00 O ATOM 221 CB CYS A 14 -12.855 -2.663 8.536 1.00 0.00 C ATOM 222 SG CYS A 14 -13.230 -4.138 9.563 1.00 0.00 S ATOM 0 H CYS A 14 -13.559 0.184 8.056 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.514 -2.469 7.186 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.233 -2.987 7.702 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.253 -1.982 9.137 1.00 0.00 H new ATOM 227 N ASN A 15 -16.254 -2.265 8.942 1.00 0.00 N ATOM 228 CA ASN A 15 -17.444 -2.140 9.826 1.00 0.00 C ATOM 229 C ASN A 15 -18.093 -0.736 9.754 1.00 0.00 C ATOM 230 O ASN A 15 -18.850 -0.347 10.651 1.00 0.00 O ATOM 231 CB ASN A 15 -17.095 -2.471 11.265 1.00 0.00 C ATOM 232 CG ASN A 15 -16.889 -3.939 11.514 1.00 0.00 C ATOM 233 OD1 ASN A 15 -17.475 -4.793 10.840 1.00 0.00 O ATOM 234 ND2 ASN A 15 -16.121 -4.236 12.533 1.00 0.00 N ATOM 0 H ASN A 15 -16.382 -2.979 8.225 1.00 0.00 H new ATOM 0 HA ASN A 15 -18.173 -2.862 9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.188 -1.934 11.543 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.892 -2.109 11.915 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.985 -5.210 12.802 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.659 -3.493 13.057 1.00 0.00 H new ATOM 241 N GLY A 16 -17.848 -0.004 8.657 1.00 0.00 N ATOM 242 CA GLY A 16 -18.390 1.347 8.466 1.00 0.00 C ATOM 243 C GLY A 16 -17.513 2.419 9.084 1.00 0.00 C ATOM 244 O GLY A 16 -17.859 3.598 9.031 1.00 0.00 O ATOM 0 H GLY A 16 -17.271 -0.331 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.500 1.543 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.386 1.400 8.905 1.00 0.00 H new ATOM 248 N LYS A 17 -16.370 2.013 9.664 1.00 0.00 N ATOM 249 CA LYS A 17 -15.423 2.936 10.304 1.00 0.00 C ATOM 250 C LYS A 17 -14.168 3.064 9.443 1.00 0.00 C ATOM 251 O LYS A 17 -13.692 2.074 8.867 1.00 0.00 O ATOM 252 CB LYS A 17 -15.056 2.460 11.711 1.00 0.00 C ATOM 253 CG LYS A 17 -14.147 3.409 12.479 1.00 0.00 C ATOM 254 CD LYS A 17 -13.893 2.908 13.894 1.00 0.00 C ATOM 255 CE LYS A 17 -12.890 3.791 14.623 1.00 0.00 C ATOM 256 NZ LYS A 17 -12.624 3.307 16.004 1.00 0.00 N ATOM 0 H LYS A 17 -16.079 1.036 9.701 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.899 3.912 10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.973 2.313 12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.567 1.489 11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.198 3.513 11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.601 4.399 12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.831 2.886 14.448 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.520 1.884 13.858 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.956 3.818 14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.268 4.813 14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.936 3.936 16.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.510 3.305 16.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.239 2.342 15.965 1.00 0.00 H new ATOM 270 N THR A 18 -13.648 4.287 9.359 1.00 0.00 N ATOM 271 CA THR A 18 -12.472 4.616 8.559 1.00 0.00 C ATOM 272 C THR A 18 -11.219 4.485 9.445 1.00 0.00 C ATOM 273 O THR A 18 -11.138 5.096 10.517 1.00 0.00 O ATOM 274 CB THR A 18 -12.553 6.037 7.971 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.670 6.125 7.079 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.276 6.374 7.215 1.00 0.00 C ATOM 0 H THR A 18 -14.039 5.089 9.853 1.00 0.00 H new ATOM 0 HA THR A 18 -12.421 3.923 7.719 1.00 0.00 H new ATOM 0 HB THR A 18 -12.677 6.747 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.721 7.030 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.350 7.382 6.806 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.426 6.320 7.895 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.136 5.662 6.402 1.00 0.00 H new ATOM 284 N TYR A 19 -10.263 3.648 9.015 1.00 0.00 N ATOM 285 CA TYR A 19 -8.961 3.499 9.690 1.00 0.00 C ATOM 286 C TYR A 19 -7.877 3.955 8.720 1.00 0.00 C ATOM 287 O TYR A 19 -7.631 3.295 7.709 1.00 0.00 O ATOM 288 CB TYR A 19 -8.700 2.029 10.118 1.00 0.00 C ATOM 289 CG TYR A 19 -9.805 1.407 10.978 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.879 0.731 10.391 1.00 0.00 C ATOM 291 CD2 TYR A 19 -9.773 1.488 12.373 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.867 0.164 11.160 1.00 0.00 C ATOM 293 CE2 TYR A 19 -10.769 0.912 13.144 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.812 0.251 12.529 1.00 0.00 C ATOM 295 OH TYR A 19 -12.814 -0.322 13.287 1.00 0.00 O ATOM 0 H TYR A 19 -10.368 3.056 8.191 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.956 4.104 10.597 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.570 1.422 9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.761 1.987 10.670 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.933 0.653 9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.959 2.008 12.857 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.689 -0.352 10.686 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.729 0.980 14.221 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.630 -0.175 14.238 1.00 0.00 H new ATOM 305 N GLU A 20 -7.220 5.076 9.014 1.00 0.00 N ATOM 306 CA GLU A 20 -6.193 5.653 8.133 1.00 0.00 C ATOM 307 C GLU A 20 -4.970 6.106 8.938 1.00 0.00 C ATOM 308 O GLU A 20 -5.103 6.638 10.044 1.00 0.00 O ATOM 309 CB GLU A 20 -6.765 6.830 7.340 1.00 0.00 C ATOM 310 CG GLU A 20 -5.750 7.550 6.463 1.00 0.00 C ATOM 311 CD GLU A 20 -6.398 8.648 5.666 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.581 8.840 5.807 1.00 0.00 O ATOM 313 OE2 GLU A 20 -5.690 9.368 5.002 1.00 0.00 O ATOM 0 H GLU A 20 -7.381 5.612 9.867 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.877 4.878 7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.578 6.468 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.197 7.547 8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.959 7.968 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.279 6.836 5.787 1.00 0.00 H new ATOM 320 N ARG A 21 -3.782 5.827 8.382 1.00 0.00 N ATOM 321 CA ARG A 21 -2.502 6.135 9.015 1.00 0.00 C ATOM 322 C ARG A 21 -1.461 6.409 7.923 1.00 0.00 C ATOM 323 O ARG A 21 -1.434 5.730 6.889 1.00 0.00 O ATOM 324 CB ARG A 21 -2.046 5.054 9.984 1.00 0.00 C ATOM 325 CG ARG A 21 -0.844 5.425 10.838 1.00 0.00 C ATOM 326 CD ARG A 21 -0.531 4.448 11.911 1.00 0.00 C ATOM 327 NE ARG A 21 0.663 4.760 12.681 1.00 0.00 N ATOM 328 CZ ARG A 21 0.946 4.249 13.894 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.110 3.434 14.499 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.078 4.609 14.475 1.00 0.00 N ATOM 0 H ARG A 21 -3.687 5.377 7.472 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.625 7.028 9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.877 4.803 10.643 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.806 4.155 9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.028 5.529 10.192 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.022 6.400 11.291 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.381 4.389 12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.412 3.461 11.463 1.00 0.00 H new ATOM 0 HE ARG A 21 1.333 5.412 12.273 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.769 3.179 14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.341 3.056 15.418 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.709 5.257 14.004 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.320 4.239 15.394 1.00 0.00 H new ATOM 344 N THR A 22 -0.635 7.427 8.163 1.00 0.00 N ATOM 345 CA THR A 22 0.472 7.814 7.295 1.00 0.00 C ATOM 346 C THR A 22 1.774 7.226 7.879 1.00 0.00 C ATOM 347 O THR A 22 2.023 7.338 9.085 1.00 0.00 O ATOM 348 CB THR A 22 0.598 9.342 7.159 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.602 9.873 6.582 1.00 0.00 O ATOM 350 CG2 THR A 22 1.783 9.705 6.278 1.00 0.00 C ATOM 0 H THR A 22 -0.721 8.020 8.989 1.00 0.00 H new ATOM 0 HA THR A 22 0.284 7.423 6.295 1.00 0.00 H new ATOM 0 HB THR A 22 0.753 9.768 8.150 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.522 10.846 6.497 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.855 10.789 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.699 9.313 6.721 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.645 9.273 5.287 1.00 0.00 H new ATOM 358 N TYR A 23 2.568 6.562 7.022 1.00 0.00 N ATOM 359 CA TYR A 23 3.835 5.911 7.403 1.00 0.00 C ATOM 360 C TYR A 23 5.005 6.576 6.676 1.00 0.00 C ATOM 361 O TYR A 23 4.886 6.911 5.497 1.00 0.00 O ATOM 362 CB TYR A 23 3.799 4.414 7.087 1.00 0.00 C ATOM 363 CG TYR A 23 2.719 3.658 7.829 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.436 3.553 7.310 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.986 3.048 9.046 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.446 2.864 7.984 1.00 0.00 C ATOM 367 CE2 TYR A 23 2.005 2.355 9.727 1.00 0.00 C ATOM 368 CZ TYR A 23 0.735 2.265 9.193 1.00 0.00 C ATOM 369 OH TYR A 23 -0.245 1.576 9.869 1.00 0.00 O ATOM 0 H TYR A 23 2.346 6.460 6.032 1.00 0.00 H new ATOM 0 HA TYR A 23 3.970 6.028 8.478 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.651 4.282 6.015 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.768 3.978 7.331 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.207 4.018 6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.978 3.116 9.468 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.548 2.795 7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.230 1.885 10.673 1.00 0.00 H new ATOM 0 HH TYR A 23 0.124 1.215 10.702 1.00 0.00 H new ATOM 379 N GLN A 24 6.139 6.752 7.378 1.00 0.00 N ATOM 380 CA GLN A 24 7.376 7.250 6.755 1.00 0.00 C ATOM 381 C GLN A 24 8.309 6.051 6.514 1.00 0.00 C ATOM 382 O GLN A 24 8.677 5.342 7.460 1.00 0.00 O ATOM 383 CB GLN A 24 8.063 8.295 7.638 1.00 0.00 C ATOM 384 CG GLN A 24 7.281 9.588 7.795 1.00 0.00 C ATOM 385 CD GLN A 24 7.920 10.532 8.797 1.00 0.00 C ATOM 386 OE1 GLN A 24 8.977 10.238 9.361 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.278 11.672 9.026 1.00 0.00 N ATOM 0 H GLN A 24 6.223 6.557 8.376 1.00 0.00 H new ATOM 0 HA GLN A 24 7.135 7.738 5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.234 7.865 8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.042 8.524 7.216 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.207 10.085 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.264 9.358 8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.406 11.874 8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.657 12.346 9.691 1.00 0.00 H new ATOM 396 N LEU A 25 8.655 5.818 5.245 1.00 0.00 N ATOM 397 CA LEU A 25 9.552 4.726 4.822 1.00 0.00 C ATOM 398 C LEU A 25 10.838 5.327 4.251 1.00 0.00 C ATOM 399 O LEU A 25 10.794 6.104 3.299 1.00 0.00 O ATOM 400 CB LEU A 25 8.868 3.825 3.786 1.00 0.00 C ATOM 401 CG LEU A 25 7.567 3.161 4.256 1.00 0.00 C ATOM 402 CD1 LEU A 25 7.018 2.256 3.161 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.831 2.368 5.528 1.00 0.00 C ATOM 0 H LEU A 25 8.318 6.387 4.468 1.00 0.00 H new ATOM 0 HA LEU A 25 9.794 4.107 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.654 4.418 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.568 3.045 3.488 1.00 0.00 H new ATOM 0 HG LEU A 25 6.823 3.929 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.095 1.789 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.816 2.847 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.750 1.483 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.906 1.897 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.579 1.600 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.197 3.039 6.305 1.00 0.00 H new ATOM 415 N TYR A 26 11.976 4.978 4.853 1.00 0.00 N ATOM 416 CA TYR A 26 13.304 5.313 4.322 1.00 0.00 C ATOM 417 C TYR A 26 14.097 4.020 4.157 1.00 0.00 C ATOM 418 O TYR A 26 14.326 3.301 5.133 1.00 0.00 O ATOM 419 CB TYR A 26 14.042 6.285 5.245 1.00 0.00 C ATOM 420 CG TYR A 26 15.317 6.843 4.652 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.285 7.923 3.781 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.549 6.291 4.968 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.447 8.436 3.237 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.717 6.796 4.430 1.00 0.00 C ATOM 425 CZ TYR A 26 17.662 7.869 3.564 1.00 0.00 C ATOM 426 OH TYR A 26 18.822 8.377 3.026 1.00 0.00 O ATOM 0 H TYR A 26 12.006 4.453 5.727 1.00 0.00 H new ATOM 0 HA TYR A 26 13.194 5.809 3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.376 7.111 5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.280 5.775 6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.336 8.370 3.524 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.596 5.452 5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.405 9.276 2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.668 6.353 4.686 1.00 0.00 H new ATOM 0 HH TYR A 26 18.724 8.458 2.054 1.00 0.00 H new ATOM 436 N ALA A 27 14.522 3.748 2.919 1.00 0.00 N ATOM 437 CA ALA A 27 15.079 2.453 2.517 1.00 0.00 C ATOM 438 C ALA A 27 16.390 2.675 1.782 1.00 0.00 C ATOM 439 O ALA A 27 16.631 3.776 1.277 1.00 0.00 O ATOM 440 CB ALA A 27 14.100 1.694 1.626 1.00 0.00 C ATOM 0 H ALA A 27 14.488 4.428 2.160 1.00 0.00 H new ATOM 0 HA ALA A 27 15.258 1.854 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.535 0.736 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.171 1.523 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.893 2.280 0.731 1.00 0.00 H new ATOM 446 N VAL A 28 17.216 1.614 1.709 1.00 0.00 N ATOM 447 CA VAL A 28 18.450 1.615 0.915 1.00 0.00 C ATOM 448 C VAL A 28 18.172 0.912 -0.427 1.00 0.00 C ATOM 449 O VAL A 28 18.540 1.416 -1.492 1.00 0.00 O ATOM 450 CB VAL A 28 19.610 0.911 1.644 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.813 0.775 0.723 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.989 1.674 2.905 1.00 0.00 C ATOM 0 H VAL A 28 17.043 0.736 2.199 1.00 0.00 H new ATOM 0 HA VAL A 28 18.754 2.649 0.753 1.00 0.00 H new ATOM 0 HB VAL A 28 19.280 -0.087 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.623 0.276 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.536 0.187 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.143 1.765 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.810 1.162 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.300 2.684 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.129 1.723 3.573 1.00 0.00 H new ATOM 462 N ARG A 29 17.453 -0.221 -0.374 1.00 0.00 N ATOM 463 CA ARG A 29 17.147 -1.014 -1.572 1.00 0.00 C ATOM 464 C ARG A 29 15.638 -1.009 -1.865 1.00 0.00 C ATOM 465 O ARG A 29 14.810 -0.807 -0.971 1.00 0.00 O ATOM 466 CB ARG A 29 17.694 -2.431 -1.480 1.00 0.00 C ATOM 467 CG ARG A 29 19.211 -2.532 -1.481 1.00 0.00 C ATOM 468 CD ARG A 29 19.737 -3.855 -1.056 1.00 0.00 C ATOM 469 NE ARG A 29 19.502 -4.175 0.343 1.00 0.00 N ATOM 470 CZ ARG A 29 19.602 -5.410 0.872 1.00 0.00 C ATOM 471 NH1 ARG A 29 19.894 -6.447 0.119 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.375 -5.555 2.166 1.00 0.00 N ATOM 0 H ARG A 29 17.072 -0.608 0.490 1.00 0.00 H new ATOM 0 HA ARG A 29 17.654 -0.539 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.314 -2.893 -0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.305 -3.010 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.577 -2.314 -2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.615 -1.765 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.282 -4.629 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.810 -3.884 -1.247 1.00 0.00 H new ATOM 0 HE ARG A 29 19.243 -3.411 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.049 -6.323 -0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 29 19.966 -7.375 0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.132 -4.744 2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.443 -6.478 2.595 1.00 0.00 H new ATOM 486 N ASP A 30 15.312 -1.219 -3.142 1.00 0.00 N ATOM 487 CA ASP A 30 13.927 -1.390 -3.619 1.00 0.00 C ATOM 488 C ASP A 30 13.256 -2.605 -2.946 1.00 0.00 C ATOM 489 O ASP A 30 12.070 -2.551 -2.602 1.00 0.00 O ATOM 490 CB ASP A 30 13.898 -1.546 -5.142 1.00 0.00 C ATOM 491 CG ASP A 30 14.190 -0.266 -5.912 1.00 0.00 C ATOM 492 OD1 ASP A 30 14.188 0.781 -5.309 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.565 -0.357 -7.056 1.00 0.00 O ATOM 0 H ASP A 30 16.006 -1.277 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 30 13.366 -0.496 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.627 -2.303 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.917 -1.918 -5.438 1.00 0.00 H new ATOM 498 N GLU A 31 14.046 -3.689 -2.740 1.00 0.00 N ATOM 499 CA GLU A 31 13.596 -4.908 -2.027 1.00 0.00 C ATOM 500 C GLU A 31 13.244 -4.609 -0.556 1.00 0.00 C ATOM 501 O GLU A 31 12.297 -5.171 -0.006 1.00 0.00 O ATOM 502 CB GLU A 31 14.669 -5.996 -2.094 1.00 0.00 C ATOM 503 CG GLU A 31 14.767 -6.701 -3.439 1.00 0.00 C ATOM 504 CD GLU A 31 13.504 -7.451 -3.756 1.00 0.00 C ATOM 505 OE1 GLU A 31 13.061 -8.208 -2.926 1.00 0.00 O ATOM 506 OE2 GLU A 31 12.920 -7.186 -4.781 1.00 0.00 O ATOM 0 H GLU A 31 15.012 -3.741 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 31 12.694 -5.262 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.636 -5.550 -1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.465 -6.738 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.964 -5.969 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.610 -7.392 -3.429 1.00 0.00 H new ATOM 513 N GLU A 32 14.023 -3.708 0.058 1.00 0.00 N ATOM 514 CA GLU A 32 13.824 -3.269 1.447 1.00 0.00 C ATOM 515 C GLU A 32 12.512 -2.462 1.588 1.00 0.00 C ATOM 516 O GLU A 32 11.759 -2.657 2.537 1.00 0.00 O ATOM 517 CB GLU A 32 15.016 -2.434 1.920 1.00 0.00 C ATOM 518 CG GLU A 32 16.297 -3.228 2.133 1.00 0.00 C ATOM 519 CD GLU A 32 17.468 -2.320 2.382 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.287 -1.126 2.355 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.521 -2.816 2.709 1.00 0.00 O ATOM 0 H GLU A 32 14.816 -3.259 -0.399 1.00 0.00 H new ATOM 0 HA GLU A 32 13.748 -4.156 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.207 -1.649 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.750 -1.940 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.172 -3.904 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.494 -3.847 1.257 1.00 0.00 H new ATOM 528 N LEU A 33 12.262 -1.560 0.612 1.00 0.00 N ATOM 529 CA LEU A 33 11.015 -0.776 0.526 1.00 0.00 C ATOM 530 C LEU A 33 9.791 -1.704 0.315 1.00 0.00 C ATOM 531 O LEU A 33 8.745 -1.476 0.913 1.00 0.00 O ATOM 532 CB LEU A 33 11.111 0.310 -0.613 1.00 0.00 C ATOM 533 CG LEU A 33 10.216 1.602 -0.436 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.713 1.282 -0.300 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.694 2.451 0.763 1.00 0.00 C ATOM 0 H LEU A 33 12.922 -1.357 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 33 10.877 -0.254 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.151 0.625 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.844 -0.163 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 33 10.337 2.180 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.153 2.209 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.369 0.762 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.553 0.648 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.060 3.333 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.634 1.858 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.726 2.762 0.600 1.00 0.00 H new ATOM 547 N LYS A 34 9.956 -2.751 -0.531 1.00 0.00 N ATOM 548 CA LYS A 34 8.895 -3.748 -0.827 1.00 0.00 C ATOM 549 C LYS A 34 8.407 -4.476 0.442 1.00 0.00 C ATOM 550 O LYS A 34 7.203 -4.542 0.682 1.00 0.00 O ATOM 551 CB LYS A 34 9.395 -4.773 -1.846 1.00 0.00 C ATOM 552 CG LYS A 34 9.389 -4.280 -3.288 1.00 0.00 C ATOM 553 CD LYS A 34 10.091 -5.265 -4.212 1.00 0.00 C ATOM 554 CE LYS A 34 9.484 -6.655 -4.104 1.00 0.00 C ATOM 555 NZ LYS A 34 10.099 -7.607 -5.067 1.00 0.00 N ATOM 0 H LYS A 34 10.829 -2.929 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 34 8.050 -3.199 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.410 -5.067 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.776 -5.667 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.361 -4.135 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.882 -3.310 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.020 -4.914 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.151 -5.309 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.615 -7.030 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.411 -6.597 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.810 -8.577 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.783 -7.378 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.135 -7.532 -5.016 1.00 0.00 H new ATOM 569 N GLU A 35 9.370 -4.994 1.240 1.00 0.00 N ATOM 570 CA GLU A 35 9.088 -5.698 2.510 1.00 0.00 C ATOM 571 C GLU A 35 8.573 -4.734 3.602 1.00 0.00 C ATOM 572 O GLU A 35 7.831 -5.140 4.499 1.00 0.00 O ATOM 573 CB GLU A 35 10.342 -6.423 3.005 1.00 0.00 C ATOM 574 CG GLU A 35 11.491 -5.502 3.387 1.00 0.00 C ATOM 575 CD GLU A 35 12.655 -6.278 3.938 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.574 -7.483 3.979 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.667 -5.679 4.212 1.00 0.00 O ATOM 0 H GLU A 35 10.364 -4.935 1.020 1.00 0.00 H new ATOM 0 HA GLU A 35 8.302 -6.426 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.077 -7.032 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.683 -7.106 2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.811 -4.935 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.149 -4.780 4.128 1.00 0.00 H new ATOM 584 N LYS A 36 8.971 -3.451 3.488 1.00 0.00 N ATOM 585 CA LYS A 36 8.465 -2.367 4.340 1.00 0.00 C ATOM 586 C LYS A 36 6.980 -2.131 4.054 1.00 0.00 C ATOM 587 O LYS A 36 6.192 -2.000 4.974 1.00 0.00 O ATOM 588 CB LYS A 36 9.262 -1.081 4.119 1.00 0.00 C ATOM 589 CG LYS A 36 10.605 -1.043 4.835 1.00 0.00 C ATOM 590 CD LYS A 36 11.368 0.234 4.513 1.00 0.00 C ATOM 591 CE LYS A 36 12.759 0.219 5.131 1.00 0.00 C ATOM 592 NZ LYS A 36 12.707 0.229 6.619 1.00 0.00 N ATOM 0 H LYS A 36 9.655 -3.141 2.798 1.00 0.00 H new ATOM 0 HA LYS A 36 8.584 -2.661 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.430 -0.951 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.662 -0.234 4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.448 -1.113 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.200 -1.908 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.449 0.349 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.812 1.095 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.297 -0.667 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.321 1.086 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.671 0.321 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.130 1.032 6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.284 -0.659 6.958 1.00 0.00 H new ATOM 606 N LEU A 37 6.625 -2.115 2.749 1.00 0.00 N ATOM 607 CA LEU A 37 5.229 -2.012 2.279 1.00 0.00 C ATOM 608 C LEU A 37 4.402 -3.227 2.708 1.00 0.00 C ATOM 609 O LEU A 37 3.222 -3.078 3.037 1.00 0.00 O ATOM 610 CB LEU A 37 5.191 -1.861 0.753 1.00 0.00 C ATOM 611 CG LEU A 37 5.689 -0.513 0.218 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.897 -0.593 -1.288 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.686 0.576 0.568 1.00 0.00 C ATOM 0 H LEU A 37 7.304 -2.174 1.990 1.00 0.00 H new ATOM 0 HA LEU A 37 4.789 -1.127 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.793 -2.654 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.166 -2.012 0.414 1.00 0.00 H new ATOM 0 HG LEU A 37 6.645 -0.269 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.251 0.369 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.636 -1.362 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.953 -0.844 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.041 1.534 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.722 0.341 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.576 0.635 1.651 1.00 0.00 H new ATOM 625 N LYS A 38 5.029 -4.430 2.704 1.00 0.00 N ATOM 626 CA LYS A 38 4.401 -5.656 3.220 1.00 0.00 C ATOM 627 C LYS A 38 4.059 -5.489 4.705 1.00 0.00 C ATOM 628 O LYS A 38 2.964 -5.836 5.121 1.00 0.00 O ATOM 629 CB LYS A 38 5.319 -6.863 3.020 1.00 0.00 C ATOM 630 CG LYS A 38 5.486 -7.292 1.568 1.00 0.00 C ATOM 631 CD LYS A 38 6.431 -8.479 1.446 1.00 0.00 C ATOM 632 CE LYS A 38 6.708 -8.820 -0.010 1.00 0.00 C ATOM 633 NZ LYS A 38 7.686 -9.934 -0.145 1.00 0.00 N ATOM 0 H LYS A 38 5.974 -4.569 2.346 1.00 0.00 H new ATOM 0 HA LYS A 38 3.481 -5.831 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.301 -6.630 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.924 -7.703 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.514 -7.554 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.870 -6.457 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.369 -8.253 1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.998 -9.344 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.775 -9.095 -0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.091 -7.937 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.847 -10.135 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.585 -9.663 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.310 -10.784 0.322 1.00 0.00 H new ATOM 647 N LYS A 39 5.006 -4.917 5.482 1.00 0.00 N ATOM 648 CA LYS A 39 4.798 -4.651 6.920 1.00 0.00 C ATOM 649 C LYS A 39 3.687 -3.606 7.151 1.00 0.00 C ATOM 650 O LYS A 39 2.838 -3.809 8.010 1.00 0.00 O ATOM 651 CB LYS A 39 6.102 -4.181 7.567 1.00 0.00 C ATOM 652 CG LYS A 39 7.156 -5.268 7.721 1.00 0.00 C ATOM 653 CD LYS A 39 8.432 -4.719 8.343 1.00 0.00 C ATOM 654 CE LYS A 39 9.501 -5.796 8.459 1.00 0.00 C ATOM 655 NZ LYS A 39 10.760 -5.268 9.051 1.00 0.00 N ATOM 0 H LYS A 39 5.922 -4.631 5.135 1.00 0.00 H new ATOM 0 HA LYS A 39 4.481 -5.585 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.518 -3.371 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.877 -3.768 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.763 -6.073 8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.381 -5.700 6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.808 -3.894 7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.212 -4.314 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.126 -6.614 9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.709 -6.208 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.462 -6.033 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.132 -4.504 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.567 -4.898 10.003 1.00 0.00 H new ATOM 669 N VAL A 40 3.699 -2.509 6.363 1.00 0.00 N ATOM 670 CA VAL A 40 2.668 -1.444 6.425 1.00 0.00 C ATOM 671 C VAL A 40 1.269 -2.023 6.136 1.00 0.00 C ATOM 672 O VAL A 40 0.319 -1.737 6.872 1.00 0.00 O ATOM 673 CB VAL A 40 2.957 -0.308 5.426 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.756 0.617 5.309 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.190 0.474 5.852 1.00 0.00 C ATOM 0 H VAL A 40 4.422 -2.335 5.665 1.00 0.00 H new ATOM 0 HA VAL A 40 2.697 -1.035 7.435 1.00 0.00 H new ATOM 0 HB VAL A 40 3.149 -0.750 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.978 1.414 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.893 0.050 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.535 1.051 6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.380 1.273 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.025 0.905 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.050 -0.194 5.887 1.00 0.00 H new ATOM 685 N LEU A 41 1.178 -2.869 5.096 1.00 0.00 N ATOM 686 CA LEU A 41 -0.065 -3.567 4.741 1.00 0.00 C ATOM 687 C LEU A 41 -0.504 -4.537 5.855 1.00 0.00 C ATOM 688 O LEU A 41 -1.661 -4.514 6.230 1.00 0.00 O ATOM 689 CB LEU A 41 0.113 -4.320 3.417 1.00 0.00 C ATOM 690 CG LEU A 41 0.093 -3.443 2.158 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.581 -4.240 0.958 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.318 -2.922 1.924 1.00 0.00 C ATOM 0 H LEU A 41 1.962 -3.086 4.481 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.850 -2.819 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.059 -4.860 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.677 -5.066 3.333 1.00 0.00 H new ATOM 0 HG LEU A 41 0.762 -2.593 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.563 -3.608 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.600 -4.583 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.069 -5.101 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.332 -2.299 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.999 -3.763 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.635 -2.331 2.783 1.00 0.00 H new ATOM 704 N ASN A 42 0.431 -5.355 6.397 1.00 0.00 N ATOM 705 CA ASN A 42 0.114 -6.353 7.465 1.00 0.00 C ATOM 706 C ASN A 42 -0.446 -5.684 8.734 1.00 0.00 C ATOM 707 O ASN A 42 -1.412 -6.178 9.328 1.00 0.00 O ATOM 708 CB ASN A 42 1.329 -7.190 7.824 1.00 0.00 C ATOM 709 CG ASN A 42 1.682 -8.220 6.787 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.848 -8.611 5.963 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.888 -8.719 6.875 1.00 0.00 N ATOM 0 H ASN A 42 1.412 -5.348 6.117 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.656 -7.006 7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.183 -6.529 7.972 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.145 -7.692 8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.178 -9.467 6.245 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.539 -8.360 7.574 1.00 0.00 H new ATOM 718 N GLU A 43 0.156 -4.544 9.113 1.00 0.00 N ATOM 719 CA GLU A 43 -0.229 -3.795 10.322 1.00 0.00 C ATOM 720 C GLU A 43 -1.666 -3.260 10.198 1.00 0.00 C ATOM 721 O GLU A 43 -2.421 -3.271 11.172 1.00 0.00 O ATOM 722 CB GLU A 43 0.744 -2.641 10.574 1.00 0.00 C ATOM 723 CG GLU A 43 2.109 -3.073 11.090 1.00 0.00 C ATOM 724 CD GLU A 43 3.053 -1.905 11.181 1.00 0.00 C ATOM 725 OE1 GLU A 43 2.673 -0.828 10.791 1.00 0.00 O ATOM 726 OE2 GLU A 43 4.110 -2.064 11.744 1.00 0.00 O ATOM 0 H GLU A 43 0.921 -4.116 8.592 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.186 -4.478 11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.879 -2.086 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.297 -1.955 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.000 -3.533 12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.527 -3.831 10.428 1.00 0.00 H new ATOM 733 N ARG A 44 -2.029 -2.785 8.990 1.00 0.00 N ATOM 734 CA ARG A 44 -3.356 -2.211 8.713 1.00 0.00 C ATOM 735 C ARG A 44 -4.414 -3.317 8.570 1.00 0.00 C ATOM 736 O ARG A 44 -5.554 -3.135 8.963 1.00 0.00 O ATOM 737 CB ARG A 44 -3.344 -1.290 7.502 1.00 0.00 C ATOM 738 CG ARG A 44 -2.584 0.012 7.696 1.00 0.00 C ATOM 739 CD ARG A 44 -3.300 1.023 8.517 1.00 0.00 C ATOM 740 NE ARG A 44 -3.123 0.868 9.952 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.813 1.552 10.886 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.698 2.461 10.543 1.00 0.00 N ATOM 743 NH2 ARG A 44 -3.560 1.300 12.158 1.00 0.00 N ATOM 0 H ARG A 44 -1.409 -2.790 8.180 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.626 -1.594 9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.907 -1.827 6.660 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.374 -1.056 7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.625 -0.207 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.368 0.442 6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.959 2.017 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.364 0.972 8.287 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.428 0.195 10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.871 2.658 9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.212 2.970 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.859 0.604 12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.066 1.802 12.888 1.00 0.00 H new ATOM 757 N MET A 45 -3.978 -4.470 8.040 1.00 0.00 N ATOM 758 CA MET A 45 -4.866 -5.582 7.664 1.00 0.00 C ATOM 759 C MET A 45 -5.042 -6.601 8.803 1.00 0.00 C ATOM 760 O MET A 45 -6.002 -7.382 8.780 1.00 0.00 O ATOM 761 CB MET A 45 -4.325 -6.281 6.419 1.00 0.00 C ATOM 762 CG MET A 45 -4.367 -5.437 5.153 1.00 0.00 C ATOM 763 SD MET A 45 -6.038 -4.904 4.729 1.00 0.00 S ATOM 764 CE MET A 45 -6.803 -6.473 4.336 1.00 0.00 C ATOM 0 H MET A 45 -2.992 -4.659 7.859 1.00 0.00 H new ATOM 0 HA MET A 45 -5.848 -5.157 7.454 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.294 -6.582 6.606 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.898 -7.193 6.252 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.732 -4.561 5.284 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.951 -6.011 4.324 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.843 -6.310 4.054 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.271 -6.940 3.507 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.762 -7.126 5.208 1.00 0.00 H new ATOM 774 N ASP A 46 -4.113 -6.585 9.783 1.00 0.00 N ATOM 775 CA ASP A 46 -4.088 -7.558 10.892 1.00 0.00 C ATOM 776 C ASP A 46 -5.322 -7.380 11.840 1.00 0.00 C ATOM 777 O ASP A 46 -6.022 -8.367 12.099 1.00 0.00 O ATOM 778 CB ASP A 46 -2.785 -7.422 11.684 1.00 0.00 C ATOM 779 CG ASP A 46 -2.654 -8.392 12.850 1.00 0.00 C ATOM 780 OD1 ASP A 46 -2.657 -9.577 12.614 1.00 0.00 O ATOM 781 OD2 ASP A 46 -2.393 -7.945 13.941 1.00 0.00 O ATOM 0 H ASP A 46 -3.361 -5.897 9.826 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.142 -8.558 10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.945 -7.572 11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.710 -6.403 12.064 1.00 0.00 H new ATOM 786 N PRO A 47 -5.652 -6.131 12.351 1.00 0.00 N ATOM 787 CA PRO A 47 -6.805 -5.946 13.272 1.00 0.00 C ATOM 788 C PRO A 47 -8.163 -6.114 12.554 1.00 0.00 C ATOM 789 O PRO A 47 -9.181 -6.320 13.204 1.00 0.00 O ATOM 790 CB PRO A 47 -6.620 -4.524 13.813 1.00 0.00 C ATOM 791 CG PRO A 47 -5.847 -3.820 12.752 1.00 0.00 C ATOM 792 CD PRO A 47 -4.891 -4.847 12.205 1.00 0.00 C ATOM 0 HA PRO A 47 -6.824 -6.697 14.062 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.580 -4.040 13.993 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.082 -4.527 14.761 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.507 -3.442 11.971 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.311 -2.963 13.160 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.635 -4.646 11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.956 -4.866 12.765 1.00 0.00 H new ATOM 800 N ILE A 48 -8.144 -6.033 11.214 1.00 0.00 N ATOM 801 CA ILE A 48 -9.354 -6.051 10.369 1.00 0.00 C ATOM 802 C ILE A 48 -10.087 -7.416 10.454 1.00 0.00 C ATOM 803 O ILE A 48 -11.323 -7.481 10.343 1.00 0.00 O ATOM 804 CB ILE A 48 -9.015 -5.749 8.899 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.276 -4.412 8.786 1.00 0.00 C ATOM 806 CG2 ILE A 48 -10.280 -5.735 8.054 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.089 -3.223 9.247 1.00 0.00 C ATOM 0 H ILE A 48 -7.280 -5.952 10.679 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.013 -5.271 10.750 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.361 -6.536 8.524 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.360 -4.463 9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.981 -4.258 7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -10.022 -5.520 7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.767 -6.708 8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.958 -4.967 8.426 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.498 -2.314 9.137 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.993 -3.144 8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.362 -3.353 10.294 1.00 0.00 H new ATOM 819 N LYS A 49 -9.315 -8.503 10.670 1.00 0.00 N ATOM 820 CA LYS A 49 -9.887 -9.847 10.899 1.00 0.00 C ATOM 821 C LYS A 49 -10.539 -9.910 12.295 1.00 0.00 C ATOM 822 O LYS A 49 -11.632 -10.461 12.447 1.00 0.00 O ATOM 823 CB LYS A 49 -8.813 -10.926 10.764 1.00 0.00 C ATOM 824 CG LYS A 49 -8.317 -11.145 9.341 1.00 0.00 C ATOM 825 CD LYS A 49 -7.266 -12.244 9.284 1.00 0.00 C ATOM 826 CE LYS A 49 -6.739 -12.435 7.868 1.00 0.00 C ATOM 827 NZ LYS A 49 -5.690 -13.487 7.802 1.00 0.00 N ATOM 0 H LYS A 49 -8.296 -8.476 10.691 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.649 -10.032 10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.965 -10.658 11.394 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.210 -11.866 11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.157 -11.408 8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.897 -10.217 8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.440 -11.995 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.695 -13.179 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.563 -12.703 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.331 -11.493 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.358 -13.585 6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.892 -13.220 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.086 -14.393 8.126 1.00 0.00 H new ATOM 841 N LYS A 50 -9.848 -9.322 13.296 1.00 0.00 N ATOM 842 CA LYS A 50 -10.365 -9.169 14.674 1.00 0.00 C ATOM 843 C LYS A 50 -11.668 -8.323 14.644 1.00 0.00 C ATOM 844 O LYS A 50 -12.605 -8.587 15.406 1.00 0.00 O ATOM 845 CB LYS A 50 -9.319 -8.518 15.580 1.00 0.00 C ATOM 846 CG LYS A 50 -8.094 -9.382 15.849 1.00 0.00 C ATOM 847 CD LYS A 50 -7.094 -8.661 16.741 1.00 0.00 C ATOM 848 CE LYS A 50 -5.816 -9.470 16.906 1.00 0.00 C ATOM 849 NZ LYS A 50 -4.817 -8.764 17.754 1.00 0.00 N ATOM 0 H LYS A 50 -8.911 -8.938 13.170 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.587 -10.155 15.082 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.995 -7.581 15.126 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.787 -8.266 16.532 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.401 -10.314 16.323 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.618 -9.646 14.905 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.858 -7.687 16.312 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.541 -8.479 17.719 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.053 -10.436 17.352 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.384 -9.669 15.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.961 -9.348 17.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.571 -7.853 17.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.220 -8.596 18.698 1.00 0.00 H new ATOM 863 N LEU A 51 -11.719 -7.322 13.733 1.00 0.00 N ATOM 864 CA LEU A 51 -12.914 -6.466 13.545 1.00 0.00 C ATOM 865 C LEU A 51 -14.015 -7.251 12.806 1.00 0.00 C ATOM 866 O LEU A 51 -15.200 -6.936 12.924 1.00 0.00 O ATOM 867 CB LEU A 51 -12.550 -5.191 12.773 1.00 0.00 C ATOM 868 CG LEU A 51 -11.630 -4.215 13.518 1.00 0.00 C ATOM 869 CD1 LEU A 51 -11.186 -3.099 12.583 1.00 0.00 C ATOM 870 CD2 LEU A 51 -12.363 -3.648 14.725 1.00 0.00 C ATOM 0 H LEU A 51 -10.943 -7.087 13.115 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.291 -6.173 14.525 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.068 -5.477 11.838 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.470 -4.669 12.511 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.741 -4.744 13.863 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.533 -2.412 13.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.646 -3.526 11.738 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.061 -2.559 12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.710 -2.955 15.255 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.258 -3.122 14.393 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.647 -4.461 15.393 1.00 0.00 H new ATOM 882 N GLY A 52 -13.588 -8.262 12.032 1.00 0.00 N ATOM 883 CA GLY A 52 -14.495 -9.203 11.395 1.00 0.00 C ATOM 884 C GLY A 52 -15.105 -8.692 10.110 1.00 0.00 C ATOM 885 O GLY A 52 -16.311 -8.807 9.912 1.00 0.00 O ATOM 0 H GLY A 52 -12.603 -8.441 11.837 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.956 -10.128 11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.295 -9.450 12.093 1.00 0.00 H new ATOM 889 N CYS A 53 -14.275 -8.130 9.234 1.00 0.00 N ATOM 890 CA CYS A 53 -14.710 -7.696 7.905 1.00 0.00 C ATOM 891 C CYS A 53 -14.349 -8.744 6.835 1.00 0.00 C ATOM 892 O CYS A 53 -13.172 -9.046 6.633 1.00 0.00 O ATOM 893 CB CYS A 53 -14.094 -6.332 7.597 1.00 0.00 C ATOM 894 SG CYS A 53 -14.797 -5.018 8.637 1.00 0.00 S ATOM 0 H CYS A 53 -13.287 -7.962 9.422 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.796 -7.598 7.892 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -13.016 -6.378 7.750 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -14.257 -6.089 6.547 1.00 0.00 H new ATOM 899 N LYS A 54 -15.408 -9.286 6.184 1.00 0.00 N ATOM 900 CA LYS A 54 -15.346 -10.300 5.097 1.00 0.00 C ATOM 901 C LYS A 54 -14.556 -9.809 3.860 1.00 0.00 C ATOM 902 O LYS A 54 -13.703 -10.521 3.348 1.00 0.00 O ATOM 903 CB LYS A 54 -16.759 -10.706 4.674 1.00 0.00 C ATOM 904 CG LYS A 54 -17.509 -11.539 5.704 1.00 0.00 C ATOM 905 CD LYS A 54 -18.910 -11.885 5.222 1.00 0.00 C ATOM 906 CE LYS A 54 -19.661 -12.717 6.252 1.00 0.00 C ATOM 907 NZ LYS A 54 -21.051 -13.020 5.816 1.00 0.00 N ATOM 0 H LYS A 54 -16.367 -9.020 6.409 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.813 -11.160 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.335 -9.805 4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.699 -11.270 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.955 -12.456 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.571 -10.990 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.463 -10.968 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.848 -12.435 4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.124 -13.649 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.687 -12.182 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.528 -13.588 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.572 -12.131 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -21.026 -13.553 4.923 1.00 0.00 H new ATOM 921 N ARG A 55 -14.845 -8.575 3.410 1.00 0.00 N ATOM 922 CA ARG A 55 -14.141 -7.929 2.296 1.00 0.00 C ATOM 923 C ARG A 55 -14.050 -6.425 2.616 1.00 0.00 C ATOM 924 O ARG A 55 -15.016 -5.833 3.112 1.00 0.00 O ATOM 925 CB ARG A 55 -14.783 -8.202 0.944 1.00 0.00 C ATOM 926 CG ARG A 55 -14.045 -7.606 -0.245 1.00 0.00 C ATOM 927 CD ARG A 55 -14.697 -7.853 -1.557 1.00 0.00 C ATOM 928 NE ARG A 55 -13.966 -7.336 -2.701 1.00 0.00 N ATOM 929 CZ ARG A 55 -13.063 -8.038 -3.413 1.00 0.00 C ATOM 930 NH1 ARG A 55 -12.750 -9.271 -3.082 1.00 0.00 N ATOM 931 NH2 ARG A 55 -12.480 -7.445 -4.441 1.00 0.00 N ATOM 0 H ARG A 55 -15.581 -7.996 3.815 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.141 -8.352 2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.857 -9.280 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.800 -7.811 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.950 -6.530 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.035 -8.014 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.833 -8.927 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.691 -7.405 -1.544 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.149 -6.374 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.193 -9.711 -2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.064 -9.788 -3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.718 -6.481 -4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.792 -7.951 -4.999 1.00 0.00 H new ATOM 945 N VAL A 56 -12.884 -5.832 2.332 1.00 0.00 N ATOM 946 CA VAL A 56 -12.555 -4.439 2.670 1.00 0.00 C ATOM 947 C VAL A 56 -11.894 -3.752 1.467 1.00 0.00 C ATOM 948 O VAL A 56 -11.356 -4.421 0.582 1.00 0.00 O ATOM 949 CB VAL A 56 -11.616 -4.349 3.889 1.00 0.00 C ATOM 950 CG1 VAL A 56 -12.322 -4.846 5.141 1.00 0.00 C ATOM 951 CG2 VAL A 56 -10.345 -5.147 3.643 1.00 0.00 C ATOM 0 H VAL A 56 -12.126 -6.316 1.851 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.487 -3.935 2.924 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.343 -3.304 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.645 -4.776 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.205 -4.235 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.623 -5.884 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.694 -5.072 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.600 -6.192 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.829 -4.749 2.769 1.00 0.00 H new ATOM 961 N ARG A 57 -11.961 -2.424 1.432 1.00 0.00 N ATOM 962 CA ARG A 57 -11.350 -1.625 0.365 1.00 0.00 C ATOM 963 C ARG A 57 -10.281 -0.705 0.976 1.00 0.00 C ATOM 964 O ARG A 57 -10.544 -0.004 1.951 1.00 0.00 O ATOM 965 CB ARG A 57 -12.374 -0.850 -0.451 1.00 0.00 C ATOM 966 CG ARG A 57 -11.789 0.020 -1.552 1.00 0.00 C ATOM 967 CD ARG A 57 -12.799 0.781 -2.332 1.00 0.00 C ATOM 968 NE ARG A 57 -13.673 -0.043 -3.151 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.804 0.394 -3.741 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.220 1.630 -3.577 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.497 -0.461 -4.472 1.00 0.00 N ATOM 0 H ARG A 57 -12.440 -1.868 2.141 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.875 -2.303 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.071 -1.558 -0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.951 -0.218 0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.085 0.723 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.220 -0.612 -2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.410 1.362 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.282 1.492 -2.976 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.413 -1.020 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.685 2.275 -2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.078 1.944 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.172 -1.422 -4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.357 -0.160 -4.931 1.00 0.00 H new ATOM 985 N ILE A 58 -9.077 -0.738 0.390 1.00 0.00 N ATOM 986 CA ILE A 58 -7.893 -0.002 0.843 1.00 0.00 C ATOM 987 C ILE A 58 -7.477 0.978 -0.275 1.00 0.00 C ATOM 988 O ILE A 58 -7.384 0.587 -1.442 1.00 0.00 O ATOM 989 CB ILE A 58 -6.722 -0.939 1.188 1.00 0.00 C ATOM 990 CG1 ILE A 58 -7.136 -1.935 2.273 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.511 -0.134 1.634 1.00 0.00 C ATOM 992 CD1 ILE A 58 -7.650 -3.250 1.732 1.00 0.00 C ATOM 0 H ILE A 58 -8.896 -1.299 -0.443 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.145 0.536 1.757 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.451 -1.499 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.281 -2.129 2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.909 -1.481 2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.692 -0.812 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.204 0.536 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.768 0.451 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.923 -3.903 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.526 -3.070 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.872 -3.727 1.136 1.00 0.00 H new ATOM 1004 N SER A 59 -7.279 2.246 0.068 1.00 0.00 N ATOM 1005 CA SER A 59 -6.723 3.258 -0.837 1.00 0.00 C ATOM 1006 C SER A 59 -5.380 3.727 -0.263 1.00 0.00 C ATOM 1007 O SER A 59 -5.304 4.127 0.903 1.00 0.00 O ATOM 1008 CB SER A 59 -7.681 4.420 -1.009 1.00 0.00 C ATOM 1009 OG SER A 59 -8.827 4.055 -1.726 1.00 0.00 O ATOM 0 H SER A 59 -7.502 2.610 0.995 1.00 0.00 H new ATOM 0 HA SER A 59 -6.570 2.827 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.972 4.798 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.174 5.234 -1.527 1.00 0.00 H new ATOM 0 HG SER A 59 -9.419 4.831 -1.814 1.00 0.00 H new ATOM 1015 N ILE A 60 -4.310 3.603 -1.070 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.933 3.919 -0.652 1.00 0.00 C ATOM 1017 C ILE A 60 -2.346 4.985 -1.593 1.00 0.00 C ATOM 1018 O ILE A 60 -2.313 4.782 -2.812 1.00 0.00 O ATOM 1019 CB ILE A 60 -2.027 2.674 -0.655 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -2.580 1.609 0.297 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.604 3.050 -0.270 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.814 0.306 0.265 1.00 0.00 C ATOM 0 H ILE A 60 -4.378 3.279 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.973 4.295 0.370 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.011 2.259 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.568 2.002 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.622 1.414 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.023 2.158 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.213 3.774 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.601 3.488 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.264 -0.398 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.847 -0.111 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.777 0.486 0.549 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.921 6.124 -1.020 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.290 7.225 -1.768 1.00 0.00 C ATOM 1036 C ARG A 61 0.191 7.317 -1.393 1.00 0.00 C ATOM 1037 O ARG A 61 0.541 7.230 -0.208 1.00 0.00 O ATOM 1038 CB ARG A 61 -2.004 8.554 -1.577 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.501 9.684 -2.462 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.270 10.948 -2.338 1.00 0.00 C ATOM 1041 NE ARG A 61 -1.961 11.944 -3.351 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.483 13.186 -3.387 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.364 13.577 -2.494 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.101 13.994 -4.361 1.00 0.00 N ATOM 0 H ARG A 61 -2.006 6.308 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.374 6.999 -2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.067 8.409 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.905 8.857 -0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.457 9.883 -2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.530 9.356 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.334 10.717 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.081 11.378 -1.354 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.303 11.685 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.663 12.937 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.749 14.521 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.429 13.671 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.478 14.940 -4.416 1.00 0.00 H new ATOM 1058 N VAL A 62 1.047 7.480 -2.408 1.00 0.00 N ATOM 1059 CA VAL A 62 2.505 7.563 -2.236 1.00 0.00 C ATOM 1060 C VAL A 62 2.924 9.045 -2.374 1.00 0.00 C ATOM 1061 O VAL A 62 2.384 9.775 -3.224 1.00 0.00 O ATOM 1062 CB VAL A 62 3.263 6.703 -3.266 1.00 0.00 C ATOM 1063 CG1 VAL A 62 2.996 7.203 -4.677 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.755 6.712 -2.971 1.00 0.00 C ATOM 0 H VAL A 62 0.747 7.559 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 62 2.763 7.175 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 62 2.903 5.677 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.539 6.584 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.928 7.147 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.329 8.237 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.275 6.100 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.129 7.735 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.931 6.308 -1.974 1.00 0.00 H new ATOM 1074 N LYS A 63 3.839 9.502 -1.509 1.00 0.00 N ATOM 1075 CA LYS A 63 4.284 10.904 -1.492 1.00 0.00 C ATOM 1076 C LYS A 63 5.522 11.084 -2.380 1.00 0.00 C ATOM 1077 O LYS A 63 6.495 10.328 -2.267 1.00 0.00 O ATOM 1078 CB LYS A 63 4.586 11.358 -0.063 1.00 0.00 C ATOM 1079 CG LYS A 63 4.988 12.823 0.060 1.00 0.00 C ATOM 1080 CD LYS A 63 5.254 13.204 1.508 1.00 0.00 C ATOM 1081 CE LYS A 63 5.667 14.664 1.631 1.00 0.00 C ATOM 1082 NZ LYS A 63 5.897 15.060 3.046 1.00 0.00 N ATOM 0 H LYS A 63 4.289 8.916 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 63 3.478 11.523 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.705 11.182 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.387 10.739 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.881 13.008 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.197 13.454 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.358 13.026 2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.039 12.567 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.576 14.833 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.893 15.298 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.176 16.061 3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.022 14.923 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.654 14.473 3.452 1.00 0.00 H new ATOM 1096 N HIS A 64 5.460 12.082 -3.274 1.00 0.00 N ATOM 1097 CA HIS A 64 6.574 12.466 -4.152 1.00 0.00 C ATOM 1098 C HIS A 64 7.188 13.801 -3.695 1.00 0.00 C ATOM 1099 O HIS A 64 6.457 14.721 -3.298 1.00 0.00 O ATOM 1100 CB HIS A 64 6.110 12.568 -5.608 1.00 0.00 C ATOM 1101 CG HIS A 64 5.491 11.309 -6.131 1.00 0.00 C ATOM 1102 ND1 HIS A 64 6.241 10.226 -6.541 1.00 0.00 N ATOM 1103 CD2 HIS A 64 4.196 10.961 -6.314 1.00 0.00 C ATOM 1104 CE1 HIS A 64 5.432 9.264 -6.951 1.00 0.00 C ATOM 1105 NE2 HIS A 64 4.187 9.685 -6.825 1.00 0.00 N ATOM 0 H HIS A 64 4.625 12.652 -3.409 1.00 0.00 H new ATOM 0 HA HIS A 64 7.337 11.690 -4.087 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.388 13.380 -5.694 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.962 12.831 -6.234 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.260 10.175 -6.530 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.332 11.572 -6.099 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.738 8.298 -7.325 1.00 0.00 H new ATOM 1113 N SER A 65 8.525 13.887 -3.764 1.00 0.00 N ATOM 1114 CA SER A 65 9.305 15.050 -3.279 1.00 0.00 C ATOM 1115 C SER A 65 10.045 15.693 -4.474 1.00 0.00 C ATOM 1116 O SER A 65 10.995 16.470 -4.310 1.00 0.00 O ATOM 1117 CB SER A 65 10.284 14.628 -2.201 1.00 0.00 C ATOM 1118 OG SER A 65 9.633 14.095 -1.079 1.00 0.00 O ATOM 0 H SER A 65 9.106 13.148 -4.160 1.00 0.00 H new ATOM 0 HA SER A 65 8.628 15.782 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.972 13.887 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.883 15.487 -1.899 1.00 0.00 H new ATOM 0 HG SER A 65 10.298 13.834 -0.408 1.00 0.00 H new ATOM 1124 N ASP A 66 9.549 15.381 -5.683 1.00 0.00 N ATOM 1125 CA ASP A 66 10.088 15.889 -6.952 1.00 0.00 C ATOM 1126 C ASP A 66 8.955 15.841 -7.985 1.00 0.00 C ATOM 1127 O ASP A 66 8.641 14.779 -8.533 1.00 0.00 O ATOM 1128 CB ASP A 66 11.292 15.069 -7.422 1.00 0.00 C ATOM 1129 CG ASP A 66 11.934 15.574 -8.708 1.00 0.00 C ATOM 1130 OD1 ASP A 66 11.270 16.259 -9.451 1.00 0.00 O ATOM 1131 OD2 ASP A 66 13.119 15.403 -8.863 1.00 0.00 O ATOM 0 H ASP A 66 8.750 14.759 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 66 10.445 16.911 -6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.044 15.064 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.978 14.036 -7.569 1.00 0.00 H new ATOM 1136 N ALA A 67 8.338 17.014 -8.227 1.00 0.00 N ATOM 1137 CA ALA A 67 7.199 17.182 -9.161 1.00 0.00 C ATOM 1138 C ALA A 67 7.533 16.831 -10.626 1.00 0.00 C ATOM 1139 O ALA A 67 6.666 16.357 -11.371 1.00 0.00 O ATOM 1140 CB ALA A 67 6.632 18.606 -9.038 1.00 0.00 C ATOM 0 H ALA A 67 8.618 17.885 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 67 6.438 16.459 -8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.795 18.725 -9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.289 18.774 -8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.409 19.330 -9.283 1.00 0.00 H new ATOM 1146 N ALA A 68 8.793 17.059 -11.028 1.00 0.00 N ATOM 1147 CA ALA A 68 9.281 16.727 -12.368 1.00 0.00 C ATOM 1148 C ALA A 68 9.375 15.194 -12.537 1.00 0.00 C ATOM 1149 O ALA A 68 8.806 14.629 -13.473 1.00 0.00 O ATOM 1150 CB ALA A 68 10.641 17.404 -12.607 1.00 0.00 C ATOM 0 H ALA A 68 9.502 17.481 -10.428 1.00 0.00 H new ATOM 0 HA ALA A 68 8.579 17.100 -13.114 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.001 17.155 -13.605 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.530 18.485 -12.521 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.358 17.053 -11.865 1.00 0.00 H new ATOM 1156 N GLU A 69 10.038 14.527 -11.574 1.00 0.00 N ATOM 1157 CA GLU A 69 10.231 13.060 -11.585 1.00 0.00 C ATOM 1158 C GLU A 69 8.961 12.273 -11.212 1.00 0.00 C ATOM 1159 O GLU A 69 8.833 11.124 -11.612 1.00 0.00 O ATOM 1160 CB GLU A 69 11.366 12.675 -10.635 1.00 0.00 C ATOM 1161 CG GLU A 69 12.751 13.098 -11.105 1.00 0.00 C ATOM 1162 CD GLU A 69 13.098 12.467 -12.424 1.00 0.00 C ATOM 1163 OE1 GLU A 69 13.027 11.266 -12.523 1.00 0.00 O ATOM 1164 OE2 GLU A 69 13.323 13.191 -13.365 1.00 0.00 O ATOM 0 H GLU A 69 10.456 14.987 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 69 10.482 12.791 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.174 13.122 -9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.357 11.594 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.790 14.183 -11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.493 12.815 -10.358 1.00 0.00 H new ATOM 1171 N GLU A 70 8.030 12.895 -10.463 1.00 0.00 N ATOM 1172 CA GLU A 70 6.912 12.167 -9.805 1.00 0.00 C ATOM 1173 C GLU A 70 6.154 11.226 -10.771 1.00 0.00 C ATOM 1174 O GLU A 70 5.621 10.204 -10.354 1.00 0.00 O ATOM 1175 CB GLU A 70 5.930 13.163 -9.184 1.00 0.00 C ATOM 1176 CG GLU A 70 5.081 13.921 -10.193 1.00 0.00 C ATOM 1177 CD GLU A 70 4.196 14.930 -9.514 1.00 0.00 C ATOM 1178 OE1 GLU A 70 4.285 15.059 -8.318 1.00 0.00 O ATOM 1179 OE2 GLU A 70 3.513 15.650 -10.203 1.00 0.00 O ATOM 0 H GLU A 70 8.025 13.901 -10.295 1.00 0.00 H new ATOM 0 HA GLU A 70 7.358 11.543 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.270 12.627 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.490 13.882 -8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.728 14.426 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.468 13.218 -10.757 1.00 0.00 H new ATOM 1186 N LYS A 71 6.140 11.601 -12.056 1.00 0.00 N ATOM 1187 CA LYS A 71 5.475 10.845 -13.128 1.00 0.00 C ATOM 1188 C LYS A 71 6.153 9.476 -13.323 1.00 0.00 C ATOM 1189 O LYS A 71 5.491 8.437 -13.367 1.00 0.00 O ATOM 1190 CB LYS A 71 5.489 11.637 -14.436 1.00 0.00 C ATOM 1191 CG LYS A 71 4.605 12.877 -14.430 1.00 0.00 C ATOM 1192 CD LYS A 71 4.684 13.619 -15.757 1.00 0.00 C ATOM 1193 CE LYS A 71 3.838 14.883 -15.735 1.00 0.00 C ATOM 1194 NZ LYS A 71 3.931 15.637 -17.014 1.00 0.00 N ATOM 0 H LYS A 71 6.597 12.451 -12.387 1.00 0.00 H new ATOM 0 HA LYS A 71 4.438 10.680 -12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.514 11.937 -14.654 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.170 10.982 -15.247 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.572 12.589 -14.233 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.911 13.540 -13.621 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.721 13.877 -15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.346 12.966 -16.562 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.798 14.620 -15.544 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.161 15.522 -14.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.340 16.491 -16.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.920 15.911 -17.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.598 15.037 -17.796 1.00 0.00 H new ATOM 1208 N LYS A 72 7.491 9.509 -13.415 1.00 0.00 N ATOM 1209 CA LYS A 72 8.343 8.322 -13.561 1.00 0.00 C ATOM 1210 C LYS A 72 8.406 7.554 -12.223 1.00 0.00 C ATOM 1211 O LYS A 72 8.404 6.319 -12.200 1.00 0.00 O ATOM 1212 CB LYS A 72 9.748 8.715 -14.020 1.00 0.00 C ATOM 1213 CG LYS A 72 9.823 9.212 -15.458 1.00 0.00 C ATOM 1214 CD LYS A 72 11.256 9.530 -15.859 1.00 0.00 C ATOM 1215 CE LYS A 72 11.332 10.030 -17.294 1.00 0.00 C ATOM 1216 NZ LYS A 72 12.727 10.355 -17.697 1.00 0.00 N ATOM 0 H LYS A 72 8.021 10.380 -13.389 1.00 0.00 H new ATOM 0 HA LYS A 72 7.910 7.673 -14.322 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.129 9.493 -13.359 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.407 7.854 -13.911 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.415 8.455 -16.128 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.206 10.103 -15.570 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.665 10.285 -15.187 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.873 8.638 -15.750 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.928 9.271 -17.964 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.707 10.916 -17.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.735 10.692 -18.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.104 11.097 -17.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.319 9.503 -17.618 1.00 0.00 H new ATOM 1230 N GLU A 73 8.424 8.317 -11.109 1.00 0.00 N ATOM 1231 CA GLU A 73 8.490 7.754 -9.745 1.00 0.00 C ATOM 1232 C GLU A 73 7.206 6.989 -9.375 1.00 0.00 C ATOM 1233 O GLU A 73 7.281 5.985 -8.668 1.00 0.00 O ATOM 1234 CB GLU A 73 8.747 8.865 -8.724 1.00 0.00 C ATOM 1235 CG GLU A 73 10.146 9.461 -8.781 1.00 0.00 C ATOM 1236 CD GLU A 73 10.292 10.605 -7.817 1.00 0.00 C ATOM 1237 OE1 GLU A 73 9.320 10.963 -7.197 1.00 0.00 O ATOM 1238 OE2 GLU A 73 11.398 11.050 -7.618 1.00 0.00 O ATOM 0 H GLU A 73 8.393 9.336 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 73 9.317 7.044 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.020 9.661 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.575 8.469 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.881 8.691 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.355 9.807 -9.793 1.00 0.00 H new ATOM 1245 N ALA A 74 6.035 7.474 -9.842 1.00 0.00 N ATOM 1246 CA ALA A 74 4.742 6.796 -9.620 1.00 0.00 C ATOM 1247 C ALA A 74 4.736 5.434 -10.330 1.00 0.00 C ATOM 1248 O ALA A 74 4.350 4.424 -9.749 1.00 0.00 O ATOM 1249 CB ALA A 74 3.581 7.673 -10.115 1.00 0.00 C ATOM 0 H ALA A 74 5.960 8.338 -10.378 1.00 0.00 H new ATOM 0 HA ALA A 74 4.609 6.632 -8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.636 7.157 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.582 8.618 -9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.700 7.867 -11.181 1.00 0.00 H new ATOM 1255 N LYS A 75 5.164 5.457 -11.613 1.00 0.00 N ATOM 1256 CA LYS A 75 5.302 4.250 -12.468 1.00 0.00 C ATOM 1257 C LYS A 75 6.297 3.250 -11.840 1.00 0.00 C ATOM 1258 O LYS A 75 6.067 2.038 -11.809 1.00 0.00 O ATOM 1259 CB LYS A 75 5.759 4.634 -13.877 1.00 0.00 C ATOM 1260 CG LYS A 75 4.713 5.378 -14.696 1.00 0.00 C ATOM 1261 CD LYS A 75 5.243 5.736 -16.077 1.00 0.00 C ATOM 1262 CE LYS A 75 4.211 6.508 -16.884 1.00 0.00 C ATOM 1263 NZ LYS A 75 4.724 6.886 -18.228 1.00 0.00 N ATOM 0 H LYS A 75 5.426 6.320 -12.090 1.00 0.00 H new ATOM 0 HA LYS A 75 4.325 3.772 -12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.652 5.255 -13.800 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.046 3.729 -14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.820 4.761 -14.796 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.416 6.286 -14.172 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.150 6.333 -15.977 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.518 4.826 -16.610 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.312 5.902 -16.996 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.924 7.407 -16.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.990 7.410 -18.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.567 7.485 -18.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.974 6.027 -18.758 1.00 0.00 H new ATOM 1277 N LYS A 76 7.405 3.811 -11.337 1.00 0.00 N ATOM 1278 CA LYS A 76 8.492 3.072 -10.679 1.00 0.00 C ATOM 1279 C LYS A 76 7.979 2.363 -9.413 1.00 0.00 C ATOM 1280 O LYS A 76 8.140 1.151 -9.260 1.00 0.00 O ATOM 1281 CB LYS A 76 9.647 4.012 -10.329 1.00 0.00 C ATOM 1282 CG LYS A 76 10.831 3.329 -9.656 1.00 0.00 C ATOM 1283 CD LYS A 76 11.936 4.325 -9.340 1.00 0.00 C ATOM 1284 CE LYS A 76 13.112 3.647 -8.651 1.00 0.00 C ATOM 1285 NZ LYS A 76 14.184 4.617 -8.298 1.00 0.00 N ATOM 0 H LYS A 76 7.575 4.816 -11.377 1.00 0.00 H new ATOM 0 HA LYS A 76 8.858 2.316 -11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.994 4.498 -11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.274 4.797 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.500 2.845 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.220 2.545 -10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.275 4.799 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.544 5.116 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.764 3.146 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.521 2.877 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.966 4.115 -7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.535 5.077 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.801 5.338 -7.653 1.00 0.00 H new ATOM 1299 N PHE A 77 7.291 3.146 -8.555 1.00 0.00 N ATOM 1300 CA PHE A 77 6.716 2.679 -7.277 1.00 0.00 C ATOM 1301 C PHE A 77 5.522 1.736 -7.546 1.00 0.00 C ATOM 1302 O PHE A 77 5.265 0.810 -6.770 1.00 0.00 O ATOM 1303 CB PHE A 77 6.291 3.915 -6.428 1.00 0.00 C ATOM 1304 CG PHE A 77 6.161 3.682 -4.919 1.00 0.00 C ATOM 1305 CD1 PHE A 77 7.297 3.697 -4.095 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.915 3.490 -4.311 1.00 0.00 C ATOM 1307 CE1 PHE A 77 7.185 3.528 -2.726 1.00 0.00 C ATOM 1308 CE2 PHE A 77 4.809 3.317 -2.940 1.00 0.00 C ATOM 1309 CZ PHE A 77 5.941 3.337 -2.151 1.00 0.00 C ATOM 0 H PHE A 77 7.117 4.135 -8.734 1.00 0.00 H new ATOM 0 HA PHE A 77 7.460 2.113 -6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.018 4.710 -6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.334 4.277 -6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.272 3.842 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.023 3.476 -4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.069 3.545 -2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.839 3.166 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.856 3.203 -1.083 1.00 0.00 H new ATOM 1319 N ALA A 78 4.808 2.000 -8.666 1.00 0.00 N ATOM 1320 CA ALA A 78 3.675 1.190 -9.121 1.00 0.00 C ATOM 1321 C ALA A 78 4.101 -0.261 -9.319 1.00 0.00 C ATOM 1322 O ALA A 78 3.392 -1.184 -8.913 1.00 0.00 O ATOM 1323 CB ALA A 78 3.077 1.772 -10.411 1.00 0.00 C ATOM 0 H ALA A 78 5.012 2.790 -9.278 1.00 0.00 H new ATOM 0 HA ALA A 78 2.902 1.213 -8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.237 1.156 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.731 2.789 -10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.838 1.784 -11.192 1.00 0.00 H new ATOM 1329 N ALA A 79 5.293 -0.435 -9.915 1.00 0.00 N ATOM 1330 CA ALA A 79 5.943 -1.742 -10.061 1.00 0.00 C ATOM 1331 C ALA A 79 6.285 -2.362 -8.690 1.00 0.00 C ATOM 1332 O ALA A 79 6.130 -3.570 -8.494 1.00 0.00 O ATOM 1333 CB ALA A 79 7.192 -1.593 -10.934 1.00 0.00 C ATOM 0 H ALA A 79 5.833 0.334 -10.310 1.00 0.00 H new ATOM 0 HA ALA A 79 5.249 -2.427 -10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.677 -2.563 -11.044 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.907 -1.217 -11.916 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.883 -0.893 -10.464 1.00 0.00 H new ATOM 1339 N ILE A 80 6.748 -1.513 -7.751 1.00 0.00 N ATOM 1340 CA ILE A 80 7.109 -1.928 -6.381 1.00 0.00 C ATOM 1341 C ILE A 80 5.890 -2.472 -5.626 1.00 0.00 C ATOM 1342 O ILE A 80 5.944 -3.574 -5.072 1.00 0.00 O ATOM 1343 CB ILE A 80 7.716 -0.764 -5.577 1.00 0.00 C ATOM 1344 CG1 ILE A 80 9.066 -0.352 -6.170 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.870 -1.150 -4.114 1.00 0.00 C ATOM 1346 CD1 ILE A 80 10.124 -1.430 -6.088 1.00 0.00 C ATOM 0 H ILE A 80 6.883 -0.517 -7.922 1.00 0.00 H new ATOM 0 HA ILE A 80 7.855 -2.717 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 80 7.039 0.088 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.924 -0.074 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.425 0.536 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.301 -0.315 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.893 -1.396 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.527 -2.016 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.052 -1.064 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.296 -1.692 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.788 -2.312 -6.633 1.00 0.00 H new ATOM 1358 N LEU A 81 4.782 -1.710 -5.644 1.00 0.00 N ATOM 1359 CA LEU A 81 3.539 -2.105 -4.963 1.00 0.00 C ATOM 1360 C LEU A 81 2.888 -3.334 -5.639 1.00 0.00 C ATOM 1361 O LEU A 81 2.480 -4.256 -4.945 1.00 0.00 O ATOM 1362 CB LEU A 81 2.557 -0.927 -4.938 1.00 0.00 C ATOM 1363 CG LEU A 81 2.813 0.112 -3.839 1.00 0.00 C ATOM 1364 CD1 LEU A 81 2.002 1.372 -4.112 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.452 -0.480 -2.485 1.00 0.00 C ATOM 0 H LEU A 81 4.724 -0.813 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 81 3.790 -2.385 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.591 -0.426 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.547 -1.319 -4.817 1.00 0.00 H new ATOM 0 HG LEU A 81 3.869 0.382 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.191 2.103 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.294 1.791 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.941 1.125 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.634 0.259 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.399 -0.761 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.064 -1.363 -2.299 1.00 0.00 H new ATOM 1377 N ASN A 82 2.843 -3.352 -6.989 1.00 0.00 N ATOM 1378 CA ASN A 82 2.203 -4.443 -7.764 1.00 0.00 C ATOM 1379 C ASN A 82 2.881 -5.795 -7.438 1.00 0.00 C ATOM 1380 O ASN A 82 2.215 -6.832 -7.360 1.00 0.00 O ATOM 1381 CB ASN A 82 2.245 -4.175 -9.257 1.00 0.00 C ATOM 1382 CG ASN A 82 1.309 -3.086 -9.703 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.401 -2.681 -8.969 1.00 0.00 O ATOM 1384 ND2 ASN A 82 1.473 -2.669 -10.933 1.00 0.00 N ATOM 0 H ASN A 82 3.246 -2.617 -7.571 1.00 0.00 H new ATOM 0 HA ASN A 82 1.154 -4.488 -7.471 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.263 -3.906 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.999 -5.094 -9.789 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.834 -1.978 -11.327 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.239 -3.035 -11.498 1.00 0.00 H new ATOM 1391 N LYS A 83 4.218 -5.752 -7.239 1.00 0.00 N ATOM 1392 CA LYS A 83 5.013 -6.931 -6.844 1.00 0.00 C ATOM 1393 C LYS A 83 4.677 -7.365 -5.403 1.00 0.00 C ATOM 1394 O LYS A 83 4.534 -8.557 -5.134 1.00 0.00 O ATOM 1395 CB LYS A 83 6.510 -6.639 -6.971 1.00 0.00 C ATOM 1396 CG LYS A 83 7.017 -6.569 -8.405 1.00 0.00 C ATOM 1397 CD LYS A 83 8.498 -6.228 -8.451 1.00 0.00 C ATOM 1398 CE LYS A 83 8.991 -6.087 -9.884 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.438 -5.742 -9.945 1.00 0.00 N ATOM 0 H LYS A 83 4.771 -4.902 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 83 4.757 -7.749 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.727 -5.693 -6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.065 -7.412 -6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.846 -7.525 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.451 -5.818 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.676 -5.298 -7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.068 -7.006 -7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.818 -7.020 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.413 -5.315 -10.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.733 -5.655 -10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.600 -4.839 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.993 -6.491 -9.483 1.00 0.00 H new ATOM 1413 N VAL A 84 4.490 -6.366 -4.507 1.00 0.00 N ATOM 1414 CA VAL A 84 4.157 -6.591 -3.083 1.00 0.00 C ATOM 1415 C VAL A 84 2.795 -7.307 -2.937 1.00 0.00 C ATOM 1416 O VAL A 84 2.703 -8.325 -2.247 1.00 0.00 O ATOM 1417 CB VAL A 84 4.120 -5.268 -2.295 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.472 -5.476 -0.935 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.523 -4.703 -2.135 1.00 0.00 C ATOM 0 H VAL A 84 4.567 -5.379 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 84 4.943 -7.224 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 84 3.522 -4.550 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.454 -4.531 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.452 -5.837 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.044 -6.210 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.477 -3.768 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.144 -5.418 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.955 -4.517 -3.118 1.00 0.00 H new ATOM 1429 N PHE A 85 1.776 -6.776 -3.646 1.00 0.00 N ATOM 1430 CA PHE A 85 0.386 -7.276 -3.589 1.00 0.00 C ATOM 1431 C PHE A 85 0.270 -8.698 -4.169 1.00 0.00 C ATOM 1432 O PHE A 85 -0.422 -9.543 -3.599 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.554 -6.329 -4.337 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.842 -5.053 -3.598 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.558 -5.066 -2.411 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.395 -3.835 -4.091 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -1.823 -3.893 -1.732 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.660 -2.660 -3.413 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.373 -2.689 -2.234 1.00 0.00 C ATOM 0 H PHE A 85 1.896 -5.984 -4.277 1.00 0.00 H new ATOM 0 HA PHE A 85 0.095 -7.315 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.116 -6.086 -5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.494 -6.845 -4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.913 -6.005 -2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.166 -3.805 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.382 -3.918 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.308 -1.718 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.579 -1.771 -1.704 1.00 0.00 H new ATOM 1449 N ALA A 86 1.010 -8.959 -5.267 1.00 0.00 N ATOM 1450 CA ALA A 86 1.104 -10.302 -5.881 1.00 0.00 C ATOM 1451 C ALA A 86 1.800 -11.312 -4.938 1.00 0.00 C ATOM 1452 O ALA A 86 1.438 -12.496 -4.909 1.00 0.00 O ATOM 1453 CB ALA A 86 1.843 -10.218 -7.223 1.00 0.00 C ATOM 0 H ALA A 86 1.558 -8.248 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 86 0.091 -10.663 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.907 -11.212 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.300 -9.554 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.848 -9.828 -7.061 1.00 0.00 H new ATOM 1459 N GLU A 87 2.776 -10.815 -4.155 1.00 0.00 N ATOM 1460 CA GLU A 87 3.552 -11.626 -3.186 1.00 0.00 C ATOM 1461 C GLU A 87 2.752 -11.891 -1.890 1.00 0.00 C ATOM 1462 O GLU A 87 3.072 -12.821 -1.142 1.00 0.00 O ATOM 1463 CB GLU A 87 4.873 -10.933 -2.849 1.00 0.00 C ATOM 1464 CG GLU A 87 5.912 -10.985 -3.961 1.00 0.00 C ATOM 1465 CD GLU A 87 6.347 -12.397 -4.237 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.793 -13.051 -3.324 1.00 0.00 O ATOM 1467 OE2 GLU A 87 6.130 -12.862 -5.331 1.00 0.00 O ATOM 0 H GLU A 87 3.053 -9.834 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 87 3.757 -12.588 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.670 -9.890 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.293 -11.393 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.498 -10.546 -4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.777 -10.384 -3.682 1.00 0.00 H new ATOM 1474 N LEU A 88 1.700 -11.079 -1.635 1.00 0.00 N ATOM 1475 CA LEU A 88 0.905 -11.149 -0.382 1.00 0.00 C ATOM 1476 C LEU A 88 -0.420 -11.914 -0.601 1.00 0.00 C ATOM 1477 O LEU A 88 -1.146 -12.194 0.363 1.00 0.00 O ATOM 1478 CB LEU A 88 0.622 -9.737 0.148 1.00 0.00 C ATOM 1479 CG LEU A 88 1.846 -8.984 0.683 1.00 0.00 C ATOM 1480 CD1 LEU A 88 1.460 -7.557 1.051 1.00 0.00 C ATOM 1481 CD2 LEU A 88 2.407 -9.719 1.892 1.00 0.00 C ATOM 0 H LEU A 88 1.378 -10.362 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 88 1.491 -11.695 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.174 -9.148 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.119 -9.807 0.945 1.00 0.00 H new ATOM 0 HG LEU A 88 2.614 -8.942 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.335 -7.030 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.081 -7.043 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.687 -7.576 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.277 -9.183 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.646 -9.773 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.700 -10.728 1.601 1.00 0.00 H new ATOM 1493 N GLY A 89 -0.716 -12.251 -1.871 1.00 0.00 N ATOM 1494 CA GLY A 89 -1.901 -13.044 -2.224 1.00 0.00 C ATOM 1495 C GLY A 89 -3.080 -12.218 -2.729 1.00 0.00 C ATOM 1496 O GLY A 89 -4.225 -12.676 -2.667 1.00 0.00 O ATOM 0 H GLY A 89 -0.144 -11.982 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.624 -13.768 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.218 -13.612 -1.349 1.00 0.00 H new ATOM 1500 N TYR A 90 -2.809 -10.995 -3.217 1.00 0.00 N ATOM 1501 CA TYR A 90 -3.831 -10.119 -3.817 1.00 0.00 C ATOM 1502 C TYR A 90 -3.889 -10.329 -5.334 1.00 0.00 C ATOM 1503 O TYR A 90 -2.845 -10.405 -5.997 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.544 -8.649 -3.500 1.00 0.00 C ATOM 1505 CG TYR A 90 -3.747 -8.286 -2.046 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -2.712 -8.404 -1.131 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -4.973 -7.823 -1.593 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -2.892 -8.073 0.199 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -5.165 -7.488 -0.267 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.122 -7.615 0.627 1.00 0.00 C ATOM 1511 OH TYR A 90 -4.307 -7.283 1.949 1.00 0.00 O ATOM 0 H TYR A 90 -1.875 -10.586 -3.207 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.797 -10.381 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.516 -8.421 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.190 -8.022 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.748 -8.761 -1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.792 -7.723 -2.289 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.075 -8.172 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.127 -7.128 0.068 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.715 -6.394 2.009 1.00 0.00 H new ATOM 1521 N ASN A 91 -5.112 -10.416 -5.861 1.00 0.00 N ATOM 1522 CA ASN A 91 -5.377 -10.601 -7.299 1.00 0.00 C ATOM 1523 C ASN A 91 -5.158 -9.258 -8.026 1.00 0.00 C ATOM 1524 O ASN A 91 -5.529 -8.195 -7.504 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.776 -11.131 -7.557 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.972 -12.558 -7.123 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -6.017 -13.339 -7.039 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -8.213 -12.922 -6.927 1.00 0.00 N ATOM 0 H ASN A 91 -5.961 -10.360 -5.298 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.684 -11.348 -7.685 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.496 -10.500 -7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.994 -11.051 -8.622 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.429 -13.891 -6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.964 -12.237 -7.009 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.566 -9.320 -9.234 1.00 0.00 N ATOM 1536 CA ASP A 92 -4.283 -8.133 -10.068 1.00 0.00 C ATOM 1537 C ASP A 92 -5.549 -7.273 -10.299 1.00 0.00 C ATOM 1538 O ASP A 92 -5.505 -6.046 -10.194 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.690 -8.560 -11.413 1.00 0.00 C ATOM 1540 CG ASP A 92 -2.253 -9.059 -11.337 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.635 -8.877 -10.315 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.839 -9.754 -12.235 1.00 0.00 O ATOM 0 H ASP A 92 -4.269 -10.197 -9.662 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.560 -7.521 -9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.313 -9.347 -11.838 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.732 -7.715 -12.100 1.00 0.00 H new ATOM 1547 N SER A 93 -6.675 -7.953 -10.583 1.00 0.00 N ATOM 1548 CA SER A 93 -7.982 -7.321 -10.819 1.00 0.00 C ATOM 1549 C SER A 93 -8.479 -6.567 -9.567 1.00 0.00 C ATOM 1550 O SER A 93 -9.161 -5.543 -9.680 1.00 0.00 O ATOM 1551 CB SER A 93 -8.994 -8.368 -11.241 1.00 0.00 C ATOM 1552 OG SER A 93 -9.258 -9.289 -10.219 1.00 0.00 O ATOM 0 H SER A 93 -6.701 -8.970 -10.655 1.00 0.00 H new ATOM 0 HA SER A 93 -7.865 -6.591 -11.620 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.922 -7.877 -11.534 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.623 -8.898 -12.118 1.00 0.00 H new ATOM 0 HG SER A 93 -9.916 -9.945 -10.531 1.00 0.00 H new ATOM 1558 N ASN A 94 -8.128 -7.090 -8.376 1.00 0.00 N ATOM 1559 CA ASN A 94 -8.455 -6.447 -7.093 1.00 0.00 C ATOM 1560 C ASN A 94 -7.650 -5.149 -6.907 1.00 0.00 C ATOM 1561 O ASN A 94 -7.978 -4.333 -6.052 1.00 0.00 O ATOM 1562 CB ASN A 94 -8.218 -7.386 -5.924 1.00 0.00 C ATOM 1563 CG ASN A 94 -9.277 -8.441 -5.772 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -10.409 -8.286 -6.243 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.941 -9.478 -5.047 1.00 0.00 N ATOM 0 H ASN A 94 -7.613 -7.965 -8.279 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.516 -6.198 -7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.250 -7.871 -6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.165 -6.802 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.628 -10.205 -4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.992 -9.559 -4.681 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.637 -4.939 -7.760 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.753 -3.758 -7.703 1.00 0.00 C ATOM 1574 C VAL A 95 -6.058 -2.771 -8.855 1.00 0.00 C ATOM 1575 O VAL A 95 -5.924 -3.125 -10.028 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.269 -4.163 -7.766 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.377 -2.931 -7.717 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.926 -5.111 -6.627 1.00 0.00 C ATOM 0 H VAL A 95 -6.404 -5.585 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.947 -3.266 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.094 -4.679 -8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.332 -3.237 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.603 -2.284 -8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.556 -2.389 -6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.873 -5.387 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.118 -4.619 -5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.541 -6.008 -6.703 1.00 0.00 H new ATOM 1588 N THR A 96 -6.486 -1.534 -8.514 1.00 0.00 N ATOM 1589 CA THR A 96 -6.822 -0.492 -9.510 1.00 0.00 C ATOM 1590 C THR A 96 -6.002 0.800 -9.229 1.00 0.00 C ATOM 1591 O THR A 96 -6.072 1.374 -8.134 1.00 0.00 O ATOM 1592 CB THR A 96 -8.326 -0.158 -9.503 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.081 -1.338 -9.806 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.639 0.917 -10.531 1.00 0.00 C ATOM 0 H THR A 96 -6.607 -1.232 -7.547 1.00 0.00 H new ATOM 0 HA THR A 96 -6.567 -0.886 -10.494 1.00 0.00 H new ATOM 0 HB THR A 96 -8.596 0.211 -8.514 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.038 -1.125 -9.800 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.706 1.140 -10.511 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.076 1.820 -10.296 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.360 0.563 -11.524 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.196 1.226 -10.218 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.383 2.464 -10.137 1.00 0.00 C ATOM 1604 C TRP A 97 -5.122 3.677 -10.714 1.00 0.00 C ATOM 1605 O TRP A 97 -5.648 3.623 -11.836 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.019 2.273 -10.869 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.975 1.584 -10.026 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.675 0.249 -9.981 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.107 2.226 -9.083 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.681 0.028 -9.059 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.316 1.229 -8.498 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.931 3.561 -8.676 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.639 1.516 -7.530 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.020 3.844 -7.713 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.795 2.823 -7.149 1.00 0.00 C ATOM 0 H TRP A 97 -5.086 0.724 -11.099 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.200 2.659 -9.080 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.181 1.693 -11.778 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.641 3.248 -11.176 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.148 -0.515 -10.580 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.279 -0.880 -8.828 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.528 4.351 -9.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.240 0.733 -7.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.167 4.865 -7.392 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.531 3.071 -6.398 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.141 4.767 -9.926 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.651 6.075 -10.354 1.00 0.00 C ATOM 1628 C ASP A 98 -4.738 7.186 -9.785 1.00 0.00 C ATOM 1629 O ASP A 98 -4.852 7.584 -8.616 1.00 0.00 O ATOM 1630 CB ASP A 98 -7.098 6.275 -9.896 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.736 7.573 -10.375 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.052 8.356 -10.991 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.931 7.702 -10.258 1.00 0.00 O ATOM 0 H ASP A 98 -4.799 4.761 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.643 6.123 -11.443 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.698 5.437 -10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.128 6.250 -8.807 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.764 7.595 -10.627 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.805 8.658 -10.319 1.00 0.00 C ATOM 1640 C GLY A 99 -1.836 8.334 -9.174 1.00 0.00 C ATOM 1641 O GLY A 99 -1.101 7.341 -9.232 1.00 0.00 O ATOM 0 H GLY A 99 -3.627 7.185 -11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.226 8.878 -11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.356 9.564 -10.066 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.868 9.187 -8.127 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.987 9.101 -6.938 1.00 0.00 C ATOM 1647 C ASP A 100 -1.414 7.955 -6.011 1.00 0.00 C ATOM 1648 O ASP A 100 -0.650 7.524 -5.138 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.989 10.423 -6.166 1.00 0.00 C ATOM 1650 CG ASP A 100 -0.296 11.573 -6.885 1.00 0.00 C ATOM 1651 OD1 ASP A 100 0.348 11.325 -7.876 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.542 12.701 -6.533 1.00 0.00 O ATOM 0 H ASP A 100 -2.519 9.971 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 100 0.024 8.899 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.021 10.708 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.503 10.268 -5.203 1.00 0.00 H new ATOM 1657 N THR A 101 -2.644 7.465 -6.232 1.00 0.00 N ATOM 1658 CA THR A 101 -3.334 6.555 -5.311 1.00 0.00 C ATOM 1659 C THR A 101 -3.674 5.238 -6.026 1.00 0.00 C ATOM 1660 O THR A 101 -4.124 5.241 -7.173 1.00 0.00 O ATOM 1661 CB THR A 101 -4.625 7.179 -4.748 1.00 0.00 C ATOM 1662 OG1 THR A 101 -4.308 8.389 -4.050 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.314 6.214 -3.796 1.00 0.00 C ATOM 0 H THR A 101 -3.190 7.693 -7.063 1.00 0.00 H new ATOM 0 HA THR A 101 -2.659 6.362 -4.477 1.00 0.00 H new ATOM 0 HB THR A 101 -5.298 7.395 -5.578 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.130 8.786 -3.694 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.224 6.672 -3.409 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.568 5.297 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.645 5.980 -2.968 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.436 4.119 -5.334 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.877 2.793 -5.768 1.00 0.00 C ATOM 1673 C VAL A 102 -4.950 2.283 -4.782 1.00 0.00 C ATOM 1674 O VAL A 102 -4.786 2.391 -3.559 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.711 1.790 -5.840 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.065 1.625 -4.473 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.194 0.447 -6.365 1.00 0.00 C ATOM 0 H VAL A 102 -2.928 4.110 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.289 2.879 -6.774 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.964 2.181 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.243 0.913 -4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.683 2.587 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.805 1.256 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.356 -0.249 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.961 0.051 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.612 0.576 -7.364 1.00 0.00 H new ATOM 1687 N THR A 103 -6.069 1.787 -5.327 1.00 0.00 N ATOM 1688 CA THR A 103 -7.178 1.256 -4.542 1.00 0.00 C ATOM 1689 C THR A 103 -7.202 -0.266 -4.730 1.00 0.00 C ATOM 1690 O THR A 103 -7.288 -0.768 -5.855 1.00 0.00 O ATOM 1691 CB THR A 103 -8.532 1.860 -4.958 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.521 3.273 -4.719 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.665 1.224 -4.168 1.00 0.00 C ATOM 0 H THR A 103 -6.226 1.745 -6.334 1.00 0.00 H new ATOM 0 HA THR A 103 -7.027 1.521 -3.496 1.00 0.00 H new ATOM 0 HB THR A 103 -8.689 1.665 -6.019 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.623 3.443 -3.759 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.614 1.663 -4.475 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.683 0.151 -4.358 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.511 1.401 -3.104 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.053 -0.990 -3.625 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.943 -2.448 -3.630 1.00 0.00 C ATOM 1703 C VAL A 104 -8.035 -2.997 -2.720 1.00 0.00 C ATOM 1704 O VAL A 104 -8.224 -2.483 -1.631 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.564 -2.941 -3.151 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.519 -4.461 -3.130 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.462 -2.388 -4.042 1.00 0.00 C ATOM 0 H VAL A 104 -7.005 -0.580 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.059 -2.804 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.402 -2.578 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.538 -4.791 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.285 -4.838 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.702 -4.844 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.495 -2.746 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.621 -2.722 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.480 -1.299 -4.009 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.785 -3.998 -3.169 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.785 -4.672 -2.334 1.00 0.00 C ATOM 1719 C GLU A 105 -9.230 -6.036 -1.956 1.00 0.00 C ATOM 1720 O GLU A 105 -8.553 -6.679 -2.765 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.124 -4.813 -3.061 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.844 -3.496 -3.315 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.200 -3.722 -3.923 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.534 -4.854 -4.178 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.946 -2.777 -4.030 1.00 0.00 O ATOM 0 H GLU A 105 -8.721 -4.367 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.978 -4.077 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.954 -5.310 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.775 -5.462 -2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.950 -2.951 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.244 -2.874 -3.980 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.502 -6.466 -0.713 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.046 -7.751 -0.208 1.00 0.00 C ATOM 1734 C GLY A 106 -10.155 -8.488 0.508 1.00 0.00 C ATOM 1735 O GLY A 106 -11.083 -7.862 1.028 1.00 0.00 O ATOM 0 H GLY A 106 -10.044 -5.926 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -8.678 -8.359 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.209 -7.599 0.473 1.00 0.00 H new ATOM 1739 N GLN A 107 -10.068 -9.821 0.527 1.00 0.00 N ATOM 1740 CA GLN A 107 -11.047 -10.678 1.209 1.00 0.00 C ATOM 1741 C GLN A 107 -10.345 -11.345 2.405 1.00 0.00 C ATOM 1742 O GLN A 107 -9.210 -11.824 2.268 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.615 -11.737 0.259 1.00 0.00 C ATOM 1744 CG GLN A 107 -12.625 -12.671 0.902 1.00 0.00 C ATOM 1745 CD GLN A 107 -13.213 -13.658 -0.089 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -14.033 -13.296 -0.935 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -12.798 -14.917 0.015 1.00 0.00 N ATOM 0 H GLN A 107 -9.317 -10.339 0.070 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.887 -10.073 1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.087 -11.236 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.792 -12.329 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.145 -13.218 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.429 -12.083 1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.117 -15.172 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.160 -15.628 -0.621 1.00 0.00 H new ATOM 1756 N LEU A 108 -10.985 -11.319 3.579 1.00 0.00 N ATOM 1757 CA LEU A 108 -10.388 -11.832 4.823 1.00 0.00 C ATOM 1758 C LEU A 108 -11.260 -12.928 5.423 1.00 0.00 C ATOM 1759 O LEU A 108 -12.471 -12.988 5.174 1.00 0.00 O ATOM 1760 CB LEU A 108 -10.188 -10.697 5.834 1.00 0.00 C ATOM 1761 CG LEU A 108 -9.279 -9.554 5.361 1.00 0.00 C ATOM 1762 CD1 LEU A 108 -9.251 -8.445 6.403 1.00 0.00 C ATOM 1763 CD2 LEU A 108 -7.878 -10.090 5.106 1.00 0.00 C ATOM 0 H LEU A 108 -11.926 -10.944 3.697 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.413 -12.257 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.163 -10.283 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.771 -11.117 6.750 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.670 -9.139 4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.604 -7.639 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.260 -8.061 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.869 -8.840 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.233 -9.278 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.478 -10.514 6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.918 -10.863 4.338 1.00 0.00 H new ATOM 1775 N GLU A 109 -10.601 -13.793 6.207 1.00 0.00 N ATOM 1776 CA GLU A 109 -11.228 -14.874 6.973 1.00 0.00 C ATOM 1777 C GLU A 109 -12.150 -14.296 8.074 1.00 0.00 C ATOM 1778 O GLU A 109 -13.151 -14.914 8.442 1.00 0.00 O ATOM 1779 CB GLU A 109 -10.161 -15.782 7.589 1.00 0.00 C ATOM 1780 CG GLU A 109 -9.399 -16.630 6.581 1.00 0.00 C ATOM 1781 CD GLU A 109 -8.301 -17.414 7.245 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -8.112 -17.251 8.426 1.00 0.00 O ATOM 1783 OE2 GLU A 109 -7.727 -18.258 6.599 1.00 0.00 O ATOM 0 H GLU A 109 -9.589 -13.757 6.328 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.837 -15.470 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.450 -15.165 8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.637 -16.442 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.087 -17.314 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.975 -15.988 5.809 1.00 0.00 H new ATOM 1790 N GLY A 110 -11.784 -13.089 8.569 1.00 0.00 N ATOM 1791 CA GLY A 110 -12.553 -12.377 9.581 1.00 0.00 C ATOM 1792 C GLY A 110 -12.639 -13.160 10.880 1.00 0.00 C ATOM 1793 O GLY A 110 -11.718 -13.920 11.207 1.00 0.00 O ATOM 0 H GLY A 110 -10.945 -12.594 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.093 -11.407 9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.558 -12.185 9.205 1.00 0.00 H new ATOM 1797 N VAL A 111 -13.750 -12.994 11.615 1.00 0.00 N ATOM 1798 CA VAL A 111 -14.000 -13.715 12.881 1.00 0.00 C ATOM 1799 C VAL A 111 -14.759 -15.024 12.545 1.00 0.00 C ATOM 1800 O VAL A 111 -15.959 -15.169 12.822 1.00 0.00 O ATOM 1801 CB VAL A 111 -14.818 -12.874 13.881 1.00 0.00 C ATOM 1802 CG1 VAL A 111 -14.027 -11.651 14.319 1.00 0.00 C ATOM 1803 CG2 VAL A 111 -16.145 -12.457 13.267 1.00 0.00 C ATOM 0 H VAL A 111 -14.502 -12.357 11.352 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.043 -13.927 13.358 1.00 0.00 H new ATOM 0 HB VAL A 111 -15.022 -13.486 14.759 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.619 -11.068 15.025 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -13.101 -11.969 14.798 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -13.793 -11.038 13.449 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -16.709 -11.864 13.987 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -15.961 -11.862 12.372 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -16.718 -13.345 13.001 1.00 0.00 H new ATOM 1813 N ASP A 112 -14.033 -15.946 11.863 1.00 0.00 N ATOM 1814 CA ASP A 112 -14.577 -17.221 11.334 1.00 0.00 C ATOM 1815 C ASP A 112 -15.777 -16.972 10.369 1.00 0.00 C ATOM 1816 O ASP A 112 -16.797 -17.670 10.405 1.00 0.00 O ATOM 1817 CB ASP A 112 -15.006 -18.135 12.484 1.00 0.00 C ATOM 1818 CG ASP A 112 -13.865 -18.602 13.377 1.00 0.00 C ATOM 1819 OD1 ASP A 112 -12.886 -19.082 12.856 1.00 0.00 O ATOM 1820 OD2 ASP A 112 -13.910 -18.332 14.554 1.00 0.00 O ATOM 0 H ASP A 112 -13.040 -15.822 11.663 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.785 -17.710 10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -15.738 -17.608 13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.507 -19.009 12.069 1.00 0.00 H new ATOM 1825 N LEU A 113 -15.610 -16.000 9.458 1.00 0.00 N ATOM 1826 CA LEU A 113 -16.670 -15.571 8.534 1.00 0.00 C ATOM 1827 C LEU A 113 -16.448 -16.200 7.149 1.00 0.00 C ATOM 1828 O LEU A 113 -15.316 -16.566 6.806 1.00 0.00 O ATOM 1829 CB LEU A 113 -16.709 -14.041 8.433 1.00 0.00 C ATOM 1830 CG LEU A 113 -16.937 -13.305 9.760 1.00 0.00 C ATOM 1831 CD1 LEU A 113 -16.884 -11.799 9.538 1.00 0.00 C ATOM 1832 CD2 LEU A 113 -18.280 -13.717 10.345 1.00 0.00 C ATOM 0 H LEU A 113 -14.735 -15.489 9.342 1.00 0.00 H new ATOM 0 HA LEU A 113 -17.631 -15.910 8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -15.769 -13.697 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.500 -13.759 7.739 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.150 -13.573 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -17.047 -11.286 10.486 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.907 -11.524 9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.660 -11.508 8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -18.442 -13.194 11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -19.076 -13.460 9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -18.286 -14.793 10.521 1.00 0.00 H new ATOM 1844 N GLU A 114 -17.539 -16.325 6.371 1.00 0.00 N ATOM 1845 CA GLU A 114 -17.495 -16.870 5.006 1.00 0.00 C ATOM 1846 C GLU A 114 -18.168 -15.889 4.031 1.00 0.00 C ATOM 1847 O GLU A 114 -19.382 -15.653 4.125 1.00 0.00 O ATOM 1848 CB GLU A 114 -18.177 -18.240 4.944 1.00 0.00 C ATOM 1849 CG GLU A 114 -17.442 -19.343 5.691 1.00 0.00 C ATOM 1850 CD GLU A 114 -18.153 -20.660 5.559 1.00 0.00 C ATOM 1851 OE1 GLU A 114 -19.148 -20.711 4.875 1.00 0.00 O ATOM 1852 OE2 GLU A 114 -17.643 -21.640 6.047 1.00 0.00 O ATOM 0 H GLU A 114 -18.474 -16.051 6.673 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.452 -17.000 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.184 -18.150 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.282 -18.533 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.428 -19.435 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.357 -19.077 6.745 1.00 0.00 H new ATOM 1859 N HIS A 115 -17.373 -15.312 3.124 1.00 0.00 N ATOM 1860 CA HIS A 115 -17.846 -14.338 2.127 1.00 0.00 C ATOM 1861 C HIS A 115 -18.528 -15.081 0.953 1.00 0.00 C ATOM 1862 O HIS A 115 -17.859 -15.592 0.047 1.00 0.00 O ATOM 1863 CB HIS A 115 -16.690 -13.473 1.615 1.00 0.00 C ATOM 1864 CG HIS A 115 -17.128 -12.336 0.746 1.00 0.00 C ATOM 1865 ND1 HIS A 115 -17.706 -12.526 -0.493 1.00 0.00 N ATOM 1866 CD2 HIS A 115 -17.075 -10.996 0.935 1.00 0.00 C ATOM 1867 CE1 HIS A 115 -17.989 -11.350 -1.027 1.00 0.00 C ATOM 1868 NE2 HIS A 115 -17.616 -10.408 -0.181 1.00 0.00 N ATOM 0 H HIS A 115 -16.374 -15.508 3.058 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.572 -13.678 2.602 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -16.140 -13.076 2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -15.998 -14.102 1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -16.681 -10.486 1.801 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -18.447 -11.188 -1.991 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -17.714 -9.404 -0.332 1.00 0.00 H new ATOM 1876 N HIS A 116 -19.861 -15.190 1.035 1.00 0.00 N ATOM 1877 CA HIS A 116 -20.712 -15.777 -0.019 1.00 0.00 C ATOM 1878 C HIS A 116 -21.423 -14.660 -0.792 1.00 0.00 C ATOM 1879 O HIS A 116 -21.791 -13.629 -0.209 1.00 0.00 O ATOM 1880 CB HIS A 116 -21.739 -16.748 0.573 1.00 0.00 C ATOM 1881 CG HIS A 116 -21.129 -17.968 1.190 1.00 0.00 C ATOM 1882 ND1 HIS A 116 -20.724 -19.055 0.444 1.00 0.00 N ATOM 1883 CD2 HIS A 116 -20.856 -18.273 2.481 1.00 0.00 C ATOM 1884 CE1 HIS A 116 -20.225 -19.976 1.250 1.00 0.00 C ATOM 1885 NE2 HIS A 116 -20.295 -19.527 2.490 1.00 0.00 N ATOM 0 H HIS A 116 -20.390 -14.869 1.846 1.00 0.00 H new ATOM 0 HA HIS A 116 -20.074 -16.340 -0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -22.327 -16.225 1.328 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -22.430 -17.056 -0.212 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -21.044 -17.648 3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -19.828 -20.933 0.946 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -19.983 -20.030 3.321 1.00 0.00 H new ATOM 1893 N HIS A 117 -21.602 -14.882 -2.098 1.00 0.00 N ATOM 1894 CA HIS A 117 -22.259 -13.936 -3.003 1.00 0.00 C ATOM 1895 C HIS A 117 -23.053 -14.728 -4.055 1.00 0.00 C ATOM 1896 O HIS A 117 -22.468 -15.427 -4.891 1.00 0.00 O ATOM 1897 CB HIS A 117 -21.239 -13.012 -3.677 1.00 0.00 C ATOM 1898 CG HIS A 117 -21.857 -12.001 -4.593 1.00 0.00 C ATOM 1899 ND1 HIS A 117 -22.433 -10.835 -4.134 1.00 0.00 N ATOM 1900 CD2 HIS A 117 -21.990 -11.982 -5.940 1.00 0.00 C ATOM 1901 CE1 HIS A 117 -22.893 -10.141 -5.160 1.00 0.00 C ATOM 1902 NE2 HIS A 117 -22.637 -10.816 -6.266 1.00 0.00 N ATOM 0 H HIS A 117 -21.290 -15.735 -2.562 1.00 0.00 H new ATOM 0 HA HIS A 117 -22.937 -13.304 -2.429 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -20.669 -12.492 -2.907 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.531 -13.618 -4.243 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.651 -12.742 -6.629 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.393 -9.185 -5.104 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -22.881 -10.519 -7.211 1.00 0.00 H new ATOM 1910 N HIS A 118 -24.388 -14.648 -3.965 1.00 0.00 N ATOM 1911 CA HIS A 118 -25.316 -15.313 -4.903 1.00 0.00 C ATOM 1912 C HIS A 118 -25.645 -14.392 -6.090 1.00 0.00 C ATOM 1913 O HIS A 118 -25.718 -13.167 -5.933 1.00 0.00 O ATOM 1914 CB HIS A 118 -26.606 -15.730 -4.191 1.00 0.00 C ATOM 1915 CG HIS A 118 -26.398 -16.764 -3.127 1.00 0.00 C ATOM 1916 ND1 HIS A 118 -26.285 -18.109 -3.408 1.00 0.00 N ATOM 1917 CD2 HIS A 118 -26.285 -16.649 -1.783 1.00 0.00 C ATOM 1918 CE1 HIS A 118 -26.110 -18.777 -2.281 1.00 0.00 C ATOM 1919 NE2 HIS A 118 -26.107 -17.915 -1.282 1.00 0.00 N ATOM 0 H HIS A 118 -24.862 -14.117 -3.235 1.00 0.00 H new ATOM 0 HA HIS A 118 -24.822 -16.208 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -27.065 -14.848 -3.744 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -27.309 -16.116 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -26.327 -15.733 -1.212 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -25.990 -19.847 -2.193 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -25.991 -18.151 -0.296 1.00 0.00 H new ATOM 1927 N HIS A 119 -25.823 -15.000 -7.274 1.00 0.00 N ATOM 1928 CA HIS A 119 -26.125 -14.282 -8.537 1.00 0.00 C ATOM 1929 C HIS A 119 -27.082 -15.112 -9.428 1.00 0.00 C ATOM 1930 O HIS A 119 -27.493 -14.649 -10.502 1.00 0.00 O ATOM 1931 CB HIS A 119 -24.837 -13.964 -9.303 1.00 0.00 C ATOM 1932 CG HIS A 119 -24.083 -15.180 -9.743 1.00 0.00 C ATOM 1933 ND1 HIS A 119 -23.254 -15.888 -8.897 1.00 0.00 N ATOM 1934 CD2 HIS A 119 -24.031 -15.813 -10.939 1.00 0.00 C ATOM 1935 CE1 HIS A 119 -22.726 -16.905 -9.555 1.00 0.00 C ATOM 1936 NE2 HIS A 119 -23.180 -16.882 -10.794 1.00 0.00 N ATOM 0 H HIS A 119 -25.762 -16.012 -7.390 1.00 0.00 H new ATOM 0 HA HIS A 119 -26.617 -13.344 -8.278 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -25.084 -13.364 -10.179 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -24.190 -13.355 -8.672 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -24.559 -15.531 -11.838 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -22.039 -17.632 -9.148 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -22.938 -17.550 -11.526 1.00 0.00 H new ATOM 1944 N HIS A 120 -27.441 -16.336 -8.978 1.00 0.00 N ATOM 1945 CA HIS A 120 -28.335 -17.240 -9.737 1.00 0.00 C ATOM 1946 C HIS A 120 -29.825 -16.883 -9.464 1.00 0.00 C ATOM 1947 O HIS A 120 -30.372 -17.297 -8.423 1.00 0.00 O ATOM 1948 CB HIS A 120 -28.062 -18.704 -9.375 1.00 0.00 C ATOM 1949 CG HIS A 120 -26.700 -19.179 -9.774 1.00 0.00 C ATOM 1950 ND1 HIS A 120 -26.373 -19.488 -11.077 1.00 0.00 N ATOM 1951 CD2 HIS A 120 -25.582 -19.399 -9.042 1.00 0.00 C ATOM 1952 CE1 HIS A 120 -25.111 -19.877 -11.130 1.00 0.00 C ATOM 1953 NE2 HIS A 120 -24.610 -19.832 -9.909 1.00 0.00 N ATOM 1954 OXT HIS A 120 -30.437 -16.216 -10.250 1.00 0.00 O ATOM 0 H HIS A 120 -27.123 -16.722 -8.089 1.00 0.00 H new ATOM 0 HA HIS A 120 -28.133 -17.107 -10.800 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -28.181 -18.831 -8.299 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -28.812 -19.333 -9.855 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -25.475 -19.260 -7.976 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -24.580 -20.180 -12.020 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -23.654 -20.079 -9.652 1.00 0.00 H new TER 1962 HIS A 120