USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 852 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 26 MET CE :methyl -125:sc= -4.12 (180deg=-4.08!) USER MOD Set 1.2: A 80 CYS SG : rot -130:sc= -0.442 USER MOD Set 1.3: A 88 THR OG1 : rot 89:sc= -0.468 USER MOD Set 2.1: A 81 ASN : amide:sc= -4! C(o=-3.2!,f=-18!) USER MOD Set 2.2: A 83 ASN : amide:sc= 0.835 K(o=-3.2,f=-4.7) USER MOD Set 3.1: A 27 SER OG : rot 89:sc= 1.21 USER MOD Set 3.2: A 61 THR OG1 : rot 94:sc= -0.151 USER MOD Set 4.1: A 48 THR OG1 : rot 106:sc= 0.152 USER MOD Set 4.2: A 49 THR OG1 : rot 108:sc= 1.23 USER MOD Single : A 10 THR OG1 : rot 148:sc= 1.3 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.113 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.119) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 154:sc= -4.1! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.92 K(o=-0.92,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.86) USER MOD Single : A 33 CYS SG : rot 73:sc= 0.443 USER MOD Single : A 35 ASN : amide:sc= 1.61 K(o=1.6,f=-4.1!) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.0301 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -86:sc= -4.72! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= 1.07 (180deg=0.448) USER MOD Single : A 55 HIS : no HD1:sc=-0.00932 X(o=-0.0093,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -148:sc= 1.19 (180deg=1) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 65 MET CE :methyl -171:sc= -0.542 (180deg=-0.58) USER MOD Single : A 66 ASN : amide:sc= 0.862 K(o=0.86,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc=-0.00669 (180deg=-0.148) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -105:sc= 1.33 USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -0.06 (180deg=-0.309) USER MOD Single : A 74 ASN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= -0.0102 (180deg=-0.146) USER MOD Single : A 89 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0152) USER MOD Single : A 91 TYR OH : rot 165:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= 1.23 (180deg=1.18) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 23:sc= 0.435 USER MOD Single : A 96 MET CE :methyl -146:sc= -0.218 (180deg=-1.33) USER MOD Single : A 97 GLN : amide:sc= 0.619 K(o=0.62,f=-2.9!) USER MOD Single : A 98 LYS NZ :NH3+ -149:sc= 0.654 (180deg=-0.446!) USER MOD Single : A 103 TYR OH : rot 171:sc= -0.0652 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 10 -3.221 -23.479 5.870 1.00 0.00 N ATOM 2 CA THR A 10 -3.383 -22.466 6.841 1.00 0.00 C ATOM 3 C THR A 10 -2.877 -21.136 6.308 1.00 0.00 C ATOM 4 O THR A 10 -1.726 -20.735 6.504 1.00 0.00 O ATOM 5 CB THR A 10 -2.697 -22.857 8.168 1.00 0.00 C ATOM 6 OG1 THR A 10 -1.398 -23.411 7.889 1.00 0.00 O ATOM 7 CG2 THR A 10 -3.532 -23.878 8.931 1.00 0.00 C ATOM 0 HA THR A 10 -4.446 -22.353 7.054 1.00 0.00 H new ATOM 0 HB THR A 10 -2.597 -21.963 8.784 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.783 -23.188 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.028 -24.138 9.862 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.511 -23.454 9.154 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.655 -24.774 8.323 1.00 0.00 H new ATOM 15 N SER A 11 -3.735 -20.483 5.579 1.00 0.00 N ATOM 16 CA SER A 11 -3.449 -19.199 4.978 1.00 0.00 C ATOM 17 C SER A 11 -3.403 -18.121 6.014 1.00 0.00 C ATOM 18 O SER A 11 -2.948 -17.038 5.754 1.00 0.00 O ATOM 19 CB SER A 11 -4.510 -18.909 3.973 1.00 0.00 C ATOM 20 OG SER A 11 -4.655 -20.016 3.084 1.00 0.00 O ATOM 0 H SER A 11 -4.673 -20.829 5.378 1.00 0.00 H new ATOM 0 HA SER A 11 -2.472 -19.230 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.456 -18.711 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.254 -18.011 3.410 1.00 0.00 H new ATOM 0 HG SER A 11 -5.355 -19.819 2.427 1.00 0.00 H new ATOM 26 N SER A 12 -3.831 -18.457 7.171 1.00 0.00 N ATOM 27 CA SER A 12 -3.856 -17.606 8.274 1.00 0.00 C ATOM 28 C SER A 12 -2.431 -17.209 8.693 1.00 0.00 C ATOM 29 O SER A 12 -2.137 -16.025 8.889 1.00 0.00 O ATOM 30 CB SER A 12 -4.573 -18.372 9.341 1.00 0.00 C ATOM 31 OG SER A 12 -4.081 -19.715 9.382 1.00 0.00 O ATOM 0 H SER A 12 -4.192 -19.389 7.375 1.00 0.00 H new ATOM 0 HA SER A 12 -4.363 -16.665 8.063 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.427 -17.891 10.308 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.645 -18.373 9.144 1.00 0.00 H new ATOM 0 HG SER A 12 -4.551 -20.214 10.082 1.00 0.00 H new ATOM 37 N GLU A 13 -1.541 -18.187 8.797 1.00 0.00 N ATOM 38 CA GLU A 13 -0.164 -17.934 9.205 1.00 0.00 C ATOM 39 C GLU A 13 0.650 -17.404 8.039 1.00 0.00 C ATOM 40 O GLU A 13 1.546 -16.584 8.211 1.00 0.00 O ATOM 41 CB GLU A 13 0.454 -19.207 9.763 1.00 0.00 C ATOM 42 CG GLU A 13 0.451 -20.355 8.775 1.00 0.00 C ATOM 43 CD GLU A 13 0.994 -21.616 9.351 1.00 0.00 C ATOM 44 OE1 GLU A 13 2.228 -21.838 9.292 1.00 0.00 O ATOM 45 OE2 GLU A 13 0.199 -22.426 9.839 1.00 0.00 O ATOM 0 H GLU A 13 -1.748 -19.167 8.604 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.162 -17.175 9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.480 -19.001 10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.091 -19.505 10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.568 -20.528 8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.040 -20.077 7.901 1.00 0.00 H new ATOM 52 N LEU A 14 0.297 -17.870 6.852 1.00 0.00 N ATOM 53 CA LEU A 14 0.935 -17.474 5.609 1.00 0.00 C ATOM 54 C LEU A 14 0.732 -16.001 5.404 1.00 0.00 C ATOM 55 O LEU A 14 1.613 -15.281 4.957 1.00 0.00 O ATOM 56 CB LEU A 14 0.256 -18.215 4.471 1.00 0.00 C ATOM 57 CG LEU A 14 0.875 -18.055 3.079 1.00 0.00 C ATOM 58 CD1 LEU A 14 2.294 -18.593 3.042 1.00 0.00 C ATOM 59 CD2 LEU A 14 0.018 -18.749 2.047 1.00 0.00 C ATOM 0 H LEU A 14 -0.455 -18.547 6.724 1.00 0.00 H new ATOM 0 HA LEU A 14 2.000 -17.704 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.242 -19.277 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.782 -17.885 4.422 1.00 0.00 H new ATOM 0 HG LEU A 14 0.918 -16.991 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.706 -18.465 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.908 -18.049 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.288 -19.652 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.467 -18.629 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.053 -19.810 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.979 -18.309 2.047 1.00 0.00 H new ATOM 71 N ALA A 15 -0.426 -15.576 5.809 1.00 0.00 N ATOM 72 CA ALA A 15 -0.843 -14.228 5.679 1.00 0.00 C ATOM 73 C ALA A 15 -0.231 -13.346 6.711 1.00 0.00 C ATOM 74 O ALA A 15 -0.067 -12.166 6.476 1.00 0.00 O ATOM 75 CB ALA A 15 -2.302 -14.110 5.713 1.00 0.00 C ATOM 0 H ALA A 15 -1.120 -16.180 6.250 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.491 -13.892 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.585 -13.062 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.733 -14.684 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.676 -14.496 6.661 1.00 0.00 H new ATOM 81 N LYS A 16 0.122 -13.902 7.858 1.00 0.00 N ATOM 82 CA LYS A 16 0.793 -13.117 8.880 1.00 0.00 C ATOM 83 C LYS A 16 2.099 -12.606 8.311 1.00 0.00 C ATOM 84 O LYS A 16 2.526 -11.507 8.608 1.00 0.00 O ATOM 85 CB LYS A 16 1.030 -13.936 10.145 1.00 0.00 C ATOM 86 CG LYS A 16 -0.248 -14.332 10.863 1.00 0.00 C ATOM 87 CD LYS A 16 0.042 -15.230 12.044 1.00 0.00 C ATOM 88 CE LYS A 16 -1.216 -15.582 12.827 1.00 0.00 C ATOM 89 NZ LYS A 16 -1.812 -14.399 13.480 1.00 0.00 N ATOM 0 H LYS A 16 -0.042 -14.879 8.103 1.00 0.00 H new ATOM 0 HA LYS A 16 0.160 -12.276 9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.585 -14.838 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.657 -13.362 10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.769 -13.437 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.914 -14.844 10.169 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.517 -16.146 11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.753 -14.737 12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.947 -16.032 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.975 -16.330 13.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.549 -14.705 14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.074 -13.878 13.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.234 -13.780 12.759 1.00 0.00 H new ATOM 103 N LYS A 17 2.693 -13.429 7.469 1.00 0.00 N ATOM 104 CA LYS A 17 3.880 -13.074 6.737 1.00 0.00 C ATOM 105 C LYS A 17 3.539 -12.243 5.489 1.00 0.00 C ATOM 106 O LYS A 17 4.195 -11.231 5.231 1.00 0.00 O ATOM 107 CB LYS A 17 4.729 -14.310 6.357 1.00 0.00 C ATOM 108 CG LYS A 17 5.581 -14.925 7.483 1.00 0.00 C ATOM 109 CD LYS A 17 4.767 -15.379 8.688 1.00 0.00 C ATOM 110 CE LYS A 17 5.666 -15.977 9.754 1.00 0.00 C ATOM 111 NZ LYS A 17 4.921 -16.339 10.975 1.00 0.00 N ATOM 0 H LYS A 17 2.356 -14.372 7.276 1.00 0.00 H new ATOM 0 HA LYS A 17 4.485 -12.460 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.059 -15.081 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.393 -14.031 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.132 -15.778 7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.319 -14.193 7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.219 -14.532 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.027 -16.116 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.159 -16.864 9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.450 -15.263 10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.576 -16.743 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.472 -15.489 11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.189 -17.040 10.740 1.00 0.00 H new ATOM 125 N SER A 18 2.486 -12.629 4.743 1.00 0.00 N ATOM 126 CA SER A 18 2.208 -11.974 3.472 1.00 0.00 C ATOM 127 C SER A 18 1.810 -10.540 3.655 1.00 0.00 C ATOM 128 O SER A 18 2.284 -9.696 2.960 1.00 0.00 O ATOM 129 CB SER A 18 1.185 -12.717 2.631 1.00 0.00 C ATOM 130 OG SER A 18 -0.062 -12.838 3.274 1.00 0.00 O ATOM 0 H SER A 18 1.835 -13.372 4.998 1.00 0.00 H new ATOM 0 HA SER A 18 3.147 -11.996 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.052 -12.195 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.566 -13.711 2.396 1.00 0.00 H new ATOM 0 HG SER A 18 -0.770 -12.923 2.602 1.00 0.00 H new ATOM 136 N LYS A 19 0.947 -10.291 4.609 1.00 0.00 N ATOM 137 CA LYS A 19 0.492 -8.948 4.955 1.00 0.00 C ATOM 138 C LYS A 19 1.642 -8.044 5.272 1.00 0.00 C ATOM 139 O LYS A 19 1.620 -6.896 4.902 1.00 0.00 O ATOM 140 CB LYS A 19 -0.490 -8.973 6.120 1.00 0.00 C ATOM 141 CG LYS A 19 -1.738 -9.765 5.813 1.00 0.00 C ATOM 142 CD LYS A 19 -2.700 -9.801 6.974 1.00 0.00 C ATOM 143 CE LYS A 19 -3.357 -8.470 7.250 1.00 0.00 C ATOM 144 NZ LYS A 19 -4.348 -8.554 8.341 1.00 0.00 N ATOM 0 H LYS A 19 0.528 -11.023 5.183 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.024 -8.554 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.001 -9.400 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.767 -7.951 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.236 -9.331 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.461 -10.784 5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.472 -10.544 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.168 -10.127 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.594 -7.737 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.846 -8.113 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.774 -7.618 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.091 -9.234 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.878 -8.869 9.213 1.00 0.00 H new ATOM 158 N GLU A 20 2.662 -8.574 5.900 1.00 0.00 N ATOM 159 CA GLU A 20 3.812 -7.770 6.266 1.00 0.00 C ATOM 160 C GLU A 20 4.673 -7.496 5.085 1.00 0.00 C ATOM 161 O GLU A 20 5.063 -6.351 4.853 1.00 0.00 O ATOM 162 CB GLU A 20 4.621 -8.398 7.346 1.00 0.00 C ATOM 163 CG GLU A 20 3.790 -8.734 8.506 1.00 0.00 C ATOM 164 CD GLU A 20 4.595 -9.029 9.736 1.00 0.00 C ATOM 165 OE1 GLU A 20 5.200 -10.104 9.843 1.00 0.00 O ATOM 166 OE2 GLU A 20 4.660 -8.158 10.633 1.00 0.00 O ATOM 0 H GLU A 20 2.724 -9.556 6.170 1.00 0.00 H new ATOM 0 HA GLU A 20 3.420 -6.827 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.101 -9.300 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.416 -7.718 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.111 -7.906 8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.173 -9.600 8.266 1.00 0.00 H new ATOM 173 N VAL A 21 4.942 -8.525 4.319 1.00 0.00 N ATOM 174 CA VAL A 21 5.736 -8.381 3.124 1.00 0.00 C ATOM 175 C VAL A 21 5.002 -7.449 2.174 1.00 0.00 C ATOM 176 O VAL A 21 5.579 -6.501 1.649 1.00 0.00 O ATOM 177 CB VAL A 21 6.013 -9.749 2.445 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.795 -9.573 1.158 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.776 -10.666 3.389 1.00 0.00 C ATOM 0 H VAL A 21 4.621 -9.475 4.503 1.00 0.00 H new ATOM 0 HA VAL A 21 6.707 -7.963 3.389 1.00 0.00 H new ATOM 0 HB VAL A 21 5.051 -10.202 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.974 -10.548 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.225 -8.951 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.749 -9.093 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.962 -11.621 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.726 -10.204 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.187 -10.831 4.291 1.00 0.00 H new ATOM 189 N PHE A 22 3.699 -7.634 2.105 1.00 0.00 N ATOM 190 CA PHE A 22 2.851 -6.847 1.236 1.00 0.00 C ATOM 191 C PHE A 22 2.854 -5.413 1.674 1.00 0.00 C ATOM 192 O PHE A 22 3.139 -4.515 0.870 1.00 0.00 O ATOM 193 CB PHE A 22 1.397 -7.396 1.194 1.00 0.00 C ATOM 194 CG PHE A 22 0.390 -6.353 0.779 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.397 -5.808 -0.489 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.507 -5.867 1.693 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.475 -4.797 -0.826 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.378 -4.881 1.356 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.370 -4.336 0.111 1.00 0.00 C ATOM 0 H PHE A 22 3.199 -8.335 2.651 1.00 0.00 H new ATOM 0 HA PHE A 22 3.256 -6.916 0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.350 -8.236 0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.130 -7.781 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.095 -6.179 -1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.522 -6.273 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.456 -4.370 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.087 -4.525 2.088 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.062 -3.546 -0.141 1.00 0.00 H new ATOM 209 N ARG A 23 2.559 -5.191 2.955 1.00 0.00 N ATOM 210 CA ARG A 23 2.541 -3.839 3.470 1.00 0.00 C ATOM 211 C ARG A 23 3.891 -3.166 3.285 1.00 0.00 C ATOM 212 O ARG A 23 3.937 -1.988 3.078 1.00 0.00 O ATOM 213 CB ARG A 23 2.029 -3.761 4.925 1.00 0.00 C ATOM 214 CG ARG A 23 2.948 -4.361 5.984 1.00 0.00 C ATOM 215 CD ARG A 23 3.971 -3.382 6.551 1.00 0.00 C ATOM 216 NE ARG A 23 4.892 -4.070 7.474 1.00 0.00 N ATOM 217 CZ ARG A 23 5.538 -3.502 8.502 1.00 0.00 C ATOM 218 NH1 ARG A 23 5.472 -2.193 8.696 1.00 0.00 N ATOM 219 NH2 ARG A 23 6.286 -4.247 9.309 1.00 0.00 N ATOM 0 H ARG A 23 2.335 -5.918 3.635 1.00 0.00 H new ATOM 0 HA ARG A 23 1.817 -3.278 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.854 -2.714 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.065 -4.267 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.339 -4.747 6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.476 -5.211 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.536 -2.926 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.459 -2.575 7.075 1.00 0.00 H new ATOM 0 HE ARG A 23 5.052 -5.065 7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.927 -1.610 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.966 -1.768 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.368 -5.251 9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.778 -3.815 10.091 1.00 0.00 H new ATOM 233 N LYS A 24 4.985 -3.934 3.294 1.00 0.00 N ATOM 234 CA LYS A 24 6.289 -3.354 3.106 1.00 0.00 C ATOM 235 C LYS A 24 6.512 -2.893 1.695 1.00 0.00 C ATOM 236 O LYS A 24 7.003 -1.784 1.470 1.00 0.00 O ATOM 237 CB LYS A 24 7.403 -4.296 3.510 1.00 0.00 C ATOM 238 CG LYS A 24 7.511 -4.451 5.003 1.00 0.00 C ATOM 239 CD LYS A 24 8.736 -5.223 5.403 1.00 0.00 C ATOM 240 CE LYS A 24 10.022 -4.481 5.048 1.00 0.00 C ATOM 241 NZ LYS A 24 11.219 -5.185 5.538 1.00 0.00 N ATOM 0 H LYS A 24 4.980 -4.945 3.429 1.00 0.00 H new ATOM 0 HA LYS A 24 6.315 -2.485 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.231 -5.273 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.349 -3.925 3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.536 -3.466 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.623 -4.959 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.711 -5.412 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.730 -6.194 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.087 -4.366 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.991 -3.478 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.070 -4.647 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.171 -5.273 6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.263 -6.133 5.112 1.00 0.00 H new ATOM 255 N GLU A 25 6.105 -3.722 0.732 1.00 0.00 N ATOM 256 CA GLU A 25 6.278 -3.404 -0.683 1.00 0.00 C ATOM 257 C GLU A 25 5.451 -2.212 -0.988 1.00 0.00 C ATOM 258 O GLU A 25 5.869 -1.285 -1.637 1.00 0.00 O ATOM 259 CB GLU A 25 5.699 -4.478 -1.515 1.00 0.00 C ATOM 260 CG GLU A 25 6.102 -5.834 -1.150 1.00 0.00 C ATOM 261 CD GLU A 25 7.067 -6.410 -2.118 1.00 0.00 C ATOM 262 OE1 GLU A 25 8.274 -6.157 -2.000 1.00 0.00 O ATOM 263 OE2 GLU A 25 6.640 -7.119 -3.031 1.00 0.00 O ATOM 0 H GLU A 25 5.653 -4.619 0.908 1.00 0.00 H new ATOM 0 HA GLU A 25 7.341 -3.264 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.612 -4.412 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.977 -4.301 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.549 -5.823 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.220 -6.472 -1.096 1.00 0.00 H new ATOM 270 N MET A 26 4.254 -2.272 -0.519 1.00 0.00 N ATOM 271 CA MET A 26 3.291 -1.224 -0.754 1.00 0.00 C ATOM 272 C MET A 26 3.696 0.068 -0.059 1.00 0.00 C ATOM 273 O MET A 26 3.554 1.109 -0.627 1.00 0.00 O ATOM 274 CB MET A 26 1.932 -1.670 -0.315 1.00 0.00 C ATOM 275 CG MET A 26 0.792 -0.692 -0.597 1.00 0.00 C ATOM 276 SD MET A 26 -0.269 -1.090 -2.020 1.00 0.00 S ATOM 277 CE MET A 26 0.801 -0.979 -3.468 1.00 0.00 C ATOM 0 H MET A 26 3.902 -3.048 0.042 1.00 0.00 H new ATOM 0 HA MET A 26 3.261 -1.018 -1.824 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.704 -2.617 -0.805 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.962 -1.865 0.757 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.165 -0.630 0.292 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.220 0.298 -0.754 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.367 -0.286 -4.189 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.785 -0.620 -3.167 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.898 -1.964 -3.925 1.00 0.00 H new ATOM 287 N SER A 27 4.237 -0.027 1.149 1.00 0.00 N ATOM 288 CA SER A 27 4.707 1.138 1.856 1.00 0.00 C ATOM 289 C SER A 27 5.805 1.769 1.075 1.00 0.00 C ATOM 290 O SER A 27 5.813 2.951 0.894 1.00 0.00 O ATOM 291 CB SER A 27 5.214 0.834 3.279 1.00 0.00 C ATOM 292 OG SER A 27 4.179 0.357 4.122 1.00 0.00 O ATOM 0 H SER A 27 4.358 -0.905 1.653 1.00 0.00 H new ATOM 0 HA SER A 27 3.854 1.808 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.011 0.092 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.646 1.737 3.711 1.00 0.00 H new ATOM 0 HG SER A 27 4.117 -0.618 4.044 1.00 0.00 H new ATOM 298 N GLN A 28 6.685 0.953 0.528 1.00 0.00 N ATOM 299 CA GLN A 28 7.848 1.488 -0.163 1.00 0.00 C ATOM 300 C GLN A 28 7.436 2.081 -1.472 1.00 0.00 C ATOM 301 O GLN A 28 7.927 3.135 -1.889 1.00 0.00 O ATOM 302 CB GLN A 28 8.916 0.420 -0.350 1.00 0.00 C ATOM 303 CG GLN A 28 8.706 -0.571 -1.465 1.00 0.00 C ATOM 304 CD GLN A 28 9.805 -1.598 -1.595 1.00 0.00 C ATOM 305 OE1 GLN A 28 10.088 -2.075 -2.688 1.00 0.00 O ATOM 306 NE2 GLN A 28 10.421 -1.961 -0.506 1.00 0.00 N ATOM 0 H GLN A 28 6.622 -0.065 0.546 1.00 0.00 H new ATOM 0 HA GLN A 28 8.285 2.276 0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.870 0.921 -0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.007 -0.135 0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.759 -1.087 -1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.618 -0.029 -2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.162 -1.545 0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.162 -2.661 -0.548 1.00 0.00 H new ATOM 315 N PHE A 29 6.539 1.391 -2.093 1.00 0.00 N ATOM 316 CA PHE A 29 5.922 1.797 -3.335 1.00 0.00 C ATOM 317 C PHE A 29 5.201 3.129 -3.152 1.00 0.00 C ATOM 318 O PHE A 29 5.412 4.066 -3.913 1.00 0.00 O ATOM 319 CB PHE A 29 4.951 0.709 -3.792 1.00 0.00 C ATOM 320 CG PHE A 29 4.182 1.031 -5.018 1.00 0.00 C ATOM 321 CD1 PHE A 29 4.725 0.816 -6.257 1.00 0.00 C ATOM 322 CD2 PHE A 29 2.904 1.551 -4.930 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.011 1.111 -7.383 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.195 1.844 -6.051 1.00 0.00 C ATOM 325 CZ PHE A 29 2.742 1.628 -7.271 1.00 0.00 C ATOM 0 H PHE A 29 6.195 0.495 -1.747 1.00 0.00 H new ATOM 0 HA PHE A 29 6.687 1.932 -4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.512 -0.209 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.249 0.507 -2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.723 0.411 -6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.464 1.726 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.442 0.939 -8.358 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.197 2.248 -5.970 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.178 1.863 -8.161 1.00 0.00 H new ATOM 335 N ILE A 30 4.360 3.194 -2.146 1.00 0.00 N ATOM 336 CA ILE A 30 3.616 4.389 -1.816 1.00 0.00 C ATOM 337 C ILE A 30 4.549 5.497 -1.432 1.00 0.00 C ATOM 338 O ILE A 30 4.360 6.621 -1.850 1.00 0.00 O ATOM 339 CB ILE A 30 2.562 4.137 -0.713 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.454 3.238 -1.271 1.00 0.00 C ATOM 341 CG2 ILE A 30 1.991 5.453 -0.189 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.478 2.739 -0.242 1.00 0.00 C ATOM 0 H ILE A 30 4.170 2.408 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 30 3.068 4.690 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 30 3.038 3.635 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.906 3.790 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.913 2.381 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.252 5.246 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.796 6.058 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.517 5.995 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.271 2.111 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.009 2.157 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.013 3.587 0.235 1.00 0.00 H new ATOM 354 N VAL A 31 5.555 5.176 -0.649 1.00 0.00 N ATOM 355 CA VAL A 31 6.601 6.136 -0.332 1.00 0.00 C ATOM 356 C VAL A 31 7.204 6.703 -1.611 1.00 0.00 C ATOM 357 O VAL A 31 7.274 7.909 -1.773 1.00 0.00 O ATOM 358 CB VAL A 31 7.699 5.502 0.581 1.00 0.00 C ATOM 359 CG1 VAL A 31 8.989 6.323 0.604 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.164 5.382 1.993 1.00 0.00 C ATOM 0 H VAL A 31 5.675 4.259 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 31 6.152 6.956 0.228 1.00 0.00 H new ATOM 0 HB VAL A 31 7.940 4.522 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.718 5.838 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.393 6.394 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.777 7.323 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.926 4.940 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.903 6.371 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.277 4.748 1.993 1.00 0.00 H new ATOM 370 N GLN A 32 7.557 5.831 -2.536 1.00 0.00 N ATOM 371 CA GLN A 32 8.161 6.218 -3.812 1.00 0.00 C ATOM 372 C GLN A 32 7.190 7.145 -4.558 1.00 0.00 C ATOM 373 O GLN A 32 7.580 8.170 -5.110 1.00 0.00 O ATOM 374 CB GLN A 32 8.429 4.928 -4.623 1.00 0.00 C ATOM 375 CG GLN A 32 9.392 5.046 -5.807 1.00 0.00 C ATOM 376 CD GLN A 32 8.884 5.832 -7.002 1.00 0.00 C ATOM 377 OE1 GLN A 32 7.685 5.851 -7.302 1.00 0.00 O ATOM 378 NE2 GLN A 32 9.785 6.483 -7.690 1.00 0.00 N ATOM 0 H GLN A 32 7.435 4.824 -2.429 1.00 0.00 H new ATOM 0 HA GLN A 32 9.100 6.751 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.820 4.173 -3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.475 4.557 -4.997 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.313 5.512 -5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.650 4.041 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.766 6.444 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.507 7.030 -8.505 1.00 0.00 H new ATOM 387 N CYS A 33 5.931 6.771 -4.521 1.00 0.00 N ATOM 388 CA CYS A 33 4.851 7.509 -5.142 1.00 0.00 C ATOM 389 C CYS A 33 4.610 8.864 -4.479 1.00 0.00 C ATOM 390 O CYS A 33 4.277 9.814 -5.142 1.00 0.00 O ATOM 391 CB CYS A 33 3.582 6.673 -5.095 1.00 0.00 C ATOM 392 SG CYS A 33 3.689 5.134 -6.036 1.00 0.00 S ATOM 0 H CYS A 33 5.620 5.923 -4.046 1.00 0.00 H new ATOM 0 HA CYS A 33 5.136 7.708 -6.175 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.351 6.438 -4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.752 7.266 -5.479 1.00 0.00 H new ATOM 0 HG CYS A 33 4.456 4.293 -5.407 1.00 0.00 H new ATOM 398 N LEU A 34 4.756 8.924 -3.172 1.00 0.00 N ATOM 399 CA LEU A 34 4.592 10.166 -2.422 1.00 0.00 C ATOM 400 C LEU A 34 5.828 11.049 -2.481 1.00 0.00 C ATOM 401 O LEU A 34 5.748 12.240 -2.199 1.00 0.00 O ATOM 402 CB LEU A 34 4.208 9.920 -0.967 1.00 0.00 C ATOM 403 CG LEU A 34 2.834 9.321 -0.696 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.618 9.216 0.795 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.735 10.162 -1.332 1.00 0.00 C ATOM 0 H LEU A 34 4.992 8.118 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 34 3.772 10.691 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.956 9.259 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.272 10.870 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 34 2.792 8.327 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.635 8.788 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.386 8.576 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.677 10.208 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.765 9.711 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.763 11.170 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.889 10.207 -2.410 1.00 0.00 H new ATOM 417 N ASN A 35 6.979 10.457 -2.774 1.00 0.00 N ATOM 418 CA ASN A 35 8.221 11.215 -2.987 1.00 0.00 C ATOM 419 C ASN A 35 8.107 12.513 -3.789 1.00 0.00 C ATOM 420 O ASN A 35 8.595 13.536 -3.329 1.00 0.00 O ATOM 421 CB ASN A 35 9.344 10.352 -3.495 1.00 0.00 C ATOM 422 CG ASN A 35 10.126 9.983 -2.325 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.141 10.592 -2.016 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.619 9.101 -1.597 1.00 0.00 N ATOM 0 H ASN A 35 7.086 9.447 -2.872 1.00 0.00 H new ATOM 0 HA ASN A 35 8.464 11.553 -1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.958 9.467 -4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.955 10.892 -4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.053 8.864 -0.705 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.771 8.619 -1.895 1.00 0.00 H new ATOM 431 N PRO A 36 7.449 12.530 -4.984 1.00 0.00 N ATOM 432 CA PRO A 36 7.279 13.768 -5.758 1.00 0.00 C ATOM 433 C PRO A 36 6.351 14.777 -5.077 1.00 0.00 C ATOM 434 O PRO A 36 6.278 15.939 -5.485 1.00 0.00 O ATOM 435 CB PRO A 36 6.672 13.301 -7.084 1.00 0.00 C ATOM 436 CG PRO A 36 6.052 11.992 -6.788 1.00 0.00 C ATOM 437 CD PRO A 36 6.884 11.370 -5.708 1.00 0.00 C ATOM 0 HA PRO A 36 8.229 14.291 -5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.932 14.013 -7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.436 13.209 -7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.019 12.115 -6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.032 11.361 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.282 10.743 -5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.668 10.737 -6.122 1.00 0.00 H new ATOM 445 N TYR A 37 5.659 14.338 -4.047 1.00 0.00 N ATOM 446 CA TYR A 37 4.735 15.189 -3.342 1.00 0.00 C ATOM 447 C TYR A 37 5.408 15.875 -2.191 1.00 0.00 C ATOM 448 O TYR A 37 4.977 16.915 -1.750 1.00 0.00 O ATOM 449 CB TYR A 37 3.520 14.410 -2.847 1.00 0.00 C ATOM 450 CG TYR A 37 2.680 13.807 -3.943 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.032 12.611 -4.525 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.527 14.423 -4.373 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.266 12.038 -5.508 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.747 13.866 -5.363 1.00 0.00 C ATOM 455 CZ TYR A 37 1.122 12.665 -5.927 1.00 0.00 C ATOM 456 OH TYR A 37 0.345 12.084 -6.904 1.00 0.00 O ATOM 0 H TYR A 37 5.723 13.388 -3.680 1.00 0.00 H new ATOM 0 HA TYR A 37 4.390 15.944 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.859 13.613 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.895 15.075 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.933 12.112 -4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.228 15.360 -3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.563 11.098 -5.949 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.151 14.366 -5.695 1.00 0.00 H new ATOM 0 HH TYR A 37 0.432 11.109 -6.854 1.00 0.00 H new ATOM 466 N ARG A 38 6.480 15.303 -1.700 1.00 0.00 N ATOM 467 CA ARG A 38 7.179 15.918 -0.579 1.00 0.00 C ATOM 468 C ARG A 38 8.222 16.894 -1.074 1.00 0.00 C ATOM 469 O ARG A 38 8.909 17.561 -0.290 1.00 0.00 O ATOM 470 CB ARG A 38 7.811 14.889 0.330 1.00 0.00 C ATOM 471 CG ARG A 38 8.908 14.081 -0.314 1.00 0.00 C ATOM 472 CD ARG A 38 9.544 13.187 0.711 1.00 0.00 C ATOM 473 NE ARG A 38 10.693 12.430 0.213 1.00 0.00 N ATOM 474 CZ ARG A 38 11.965 12.672 0.560 1.00 0.00 C ATOM 475 NH1 ARG A 38 12.287 13.806 1.176 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.908 11.799 0.245 1.00 0.00 N ATOM 0 H ARG A 38 6.887 14.433 -2.043 1.00 0.00 H new ATOM 0 HA ARG A 38 6.436 16.459 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.216 15.395 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.036 14.210 0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.502 13.484 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.656 14.745 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.862 13.793 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.795 12.488 1.082 1.00 0.00 H new ATOM 0 HE ARG A 38 10.514 11.668 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.565 14.495 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.256 13.986 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.666 10.946 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.877 11.979 0.507 1.00 0.00 H new ATOM 490 N LYS A 39 8.339 16.970 -2.366 1.00 0.00 N ATOM 491 CA LYS A 39 9.241 17.900 -3.008 1.00 0.00 C ATOM 492 C LYS A 39 8.639 19.290 -2.859 1.00 0.00 C ATOM 493 O LYS A 39 7.436 19.442 -3.000 1.00 0.00 O ATOM 494 CB LYS A 39 9.362 17.578 -4.501 1.00 0.00 C ATOM 495 CG LYS A 39 9.778 16.155 -4.809 1.00 0.00 C ATOM 496 CD LYS A 39 11.155 15.834 -4.281 1.00 0.00 C ATOM 497 CE LYS A 39 11.507 14.385 -4.575 1.00 0.00 C ATOM 498 NZ LYS A 39 12.888 14.035 -4.174 1.00 0.00 N ATOM 0 H LYS A 39 7.811 16.387 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 39 10.230 17.837 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.403 17.774 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.086 18.259 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.055 15.465 -4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.759 15.999 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.891 16.495 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.191 16.014 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.806 13.733 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.385 14.196 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.072 13.036 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.562 14.635 -4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.002 14.187 -3.151 1.00 0.00 H new ATOM 512 N PRO A 40 9.450 20.329 -2.610 1.00 0.00 N ATOM 513 CA PRO A 40 8.952 21.712 -2.426 1.00 0.00 C ATOM 514 C PRO A 40 8.324 22.292 -3.703 1.00 0.00 C ATOM 515 O PRO A 40 7.667 23.336 -3.682 1.00 0.00 O ATOM 516 CB PRO A 40 10.207 22.498 -2.056 1.00 0.00 C ATOM 517 CG PRO A 40 11.339 21.691 -2.590 1.00 0.00 C ATOM 518 CD PRO A 40 10.915 20.258 -2.474 1.00 0.00 C ATOM 0 HA PRO A 40 8.163 21.755 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.192 23.495 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.288 22.626 -0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.550 21.953 -3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.251 21.875 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.362 19.641 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.210 19.827 -1.517 1.00 0.00 H new ATOM 526 N ASP A 41 8.487 21.567 -4.786 1.00 0.00 N ATOM 527 CA ASP A 41 8.009 21.955 -6.099 1.00 0.00 C ATOM 528 C ASP A 41 6.649 21.285 -6.395 1.00 0.00 C ATOM 529 O ASP A 41 6.051 21.481 -7.450 1.00 0.00 O ATOM 530 CB ASP A 41 9.081 21.559 -7.142 1.00 0.00 C ATOM 531 CG ASP A 41 8.694 21.811 -8.587 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.749 22.972 -9.051 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.368 20.835 -9.303 1.00 0.00 O ATOM 0 H ASP A 41 8.968 20.667 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 41 7.849 23.032 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.997 22.109 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.309 20.500 -7.022 1.00 0.00 H new ATOM 538 N CYS A 42 6.168 20.509 -5.445 1.00 0.00 N ATOM 539 CA CYS A 42 4.923 19.820 -5.623 1.00 0.00 C ATOM 540 C CYS A 42 3.750 20.800 -5.617 1.00 0.00 C ATOM 541 O CYS A 42 3.576 21.605 -4.682 1.00 0.00 O ATOM 542 CB CYS A 42 4.724 18.740 -4.588 1.00 0.00 C ATOM 543 SG CYS A 42 3.294 17.692 -4.912 1.00 0.00 S ATOM 0 H CYS A 42 6.624 20.345 -4.548 1.00 0.00 H new ATOM 0 HA CYS A 42 4.960 19.334 -6.598 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.618 18.118 -4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.611 19.203 -3.608 1.00 0.00 H new ATOM 0 HG CYS A 42 2.231 18.239 -4.403 1.00 0.00 H new ATOM 549 N LYS A 43 2.974 20.728 -6.664 1.00 0.00 N ATOM 550 CA LYS A 43 1.844 21.590 -6.873 1.00 0.00 C ATOM 551 C LYS A 43 0.612 21.069 -6.154 1.00 0.00 C ATOM 552 O LYS A 43 -0.182 21.847 -5.621 1.00 0.00 O ATOM 553 CB LYS A 43 1.569 21.693 -8.378 1.00 0.00 C ATOM 554 CG LYS A 43 0.337 22.488 -8.760 1.00 0.00 C ATOM 555 CD LYS A 43 0.200 22.559 -10.264 1.00 0.00 C ATOM 556 CE LYS A 43 -1.067 23.272 -10.667 1.00 0.00 C ATOM 557 NZ LYS A 43 -1.158 23.450 -12.129 1.00 0.00 N ATOM 0 H LYS A 43 3.114 20.051 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 43 2.073 22.575 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.436 22.146 -8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.470 20.685 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.551 22.024 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.403 23.494 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.061 23.078 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.200 21.551 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.930 22.705 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.106 24.246 -10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.043 23.944 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.349 24.012 -12.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.147 22.519 -12.593 1.00 0.00 H new ATOM 571 N VAL A 44 0.470 19.769 -6.110 1.00 0.00 N ATOM 572 CA VAL A 44 -0.729 19.189 -5.574 1.00 0.00 C ATOM 573 C VAL A 44 -0.414 18.147 -4.514 1.00 0.00 C ATOM 574 O VAL A 44 0.350 17.224 -4.748 1.00 0.00 O ATOM 575 CB VAL A 44 -1.636 18.600 -6.702 1.00 0.00 C ATOM 576 CG1 VAL A 44 -0.956 17.470 -7.462 1.00 0.00 C ATOM 577 CG2 VAL A 44 -2.984 18.160 -6.158 1.00 0.00 C ATOM 0 H VAL A 44 1.166 19.098 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.290 19.989 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.808 19.406 -7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.628 17.095 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.042 17.841 -7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.711 16.663 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.589 17.755 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.837 17.393 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.495 19.015 -5.716 1.00 0.00 H new ATOM 587 N GLY A 45 -0.968 18.343 -3.345 1.00 0.00 N ATOM 588 CA GLY A 45 -0.773 17.428 -2.253 1.00 0.00 C ATOM 589 C GLY A 45 0.656 17.444 -1.757 1.00 0.00 C ATOM 590 O GLY A 45 1.210 16.399 -1.444 1.00 0.00 O ATOM 0 H GLY A 45 -1.565 19.140 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.445 17.689 -1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.036 16.419 -2.572 1.00 0.00 H new ATOM 594 N ARG A 46 1.271 18.625 -1.689 1.00 0.00 N ATOM 595 CA ARG A 46 2.626 18.726 -1.237 1.00 0.00 C ATOM 596 C ARG A 46 2.724 18.395 0.234 1.00 0.00 C ATOM 597 O ARG A 46 2.072 19.020 1.082 1.00 0.00 O ATOM 598 CB ARG A 46 3.222 20.102 -1.511 1.00 0.00 C ATOM 599 CG ARG A 46 4.692 20.152 -1.164 1.00 0.00 C ATOM 600 CD ARG A 46 5.391 21.382 -1.684 1.00 0.00 C ATOM 601 NE ARG A 46 4.984 22.623 -1.044 1.00 0.00 N ATOM 602 CZ ARG A 46 5.681 23.254 -0.099 1.00 0.00 C ATOM 603 NH1 ARG A 46 6.696 22.639 0.513 1.00 0.00 N ATOM 604 NH2 ARG A 46 5.321 24.476 0.266 1.00 0.00 N ATOM 0 H ARG A 46 0.839 19.513 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 46 3.208 17.999 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.087 20.354 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.685 20.853 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.803 20.111 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.183 19.267 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.466 21.256 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.207 21.463 -2.755 1.00 0.00 H new ATOM 0 HE ARG A 46 4.102 23.041 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.941 21.682 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.226 23.126 1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.518 24.924 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.847 24.968 0.988 1.00 0.00 H new ATOM 618 N ILE A 47 3.512 17.418 0.520 1.00 0.00 N ATOM 619 CA ILE A 47 3.697 16.946 1.850 1.00 0.00 C ATOM 620 C ILE A 47 4.542 17.903 2.670 1.00 0.00 C ATOM 621 O ILE A 47 5.684 18.228 2.322 1.00 0.00 O ATOM 622 CB ILE A 47 4.242 15.506 1.870 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.293 14.615 1.043 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.381 15.019 3.294 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.699 13.174 0.920 1.00 0.00 C ATOM 0 H ILE A 47 4.058 16.913 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 47 2.718 16.912 2.328 1.00 0.00 H new ATOM 0 HB ILE A 47 5.236 15.466 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.301 14.657 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.208 15.037 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.767 14.000 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.070 15.668 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.406 15.038 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.963 12.639 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.675 13.111 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.753 12.725 1.912 1.00 0.00 H new ATOM 637 N THR A 48 3.937 18.356 3.720 1.00 0.00 N ATOM 638 CA THR A 48 4.467 19.310 4.652 1.00 0.00 C ATOM 639 C THR A 48 5.662 18.793 5.444 1.00 0.00 C ATOM 640 O THR A 48 6.727 19.411 5.460 1.00 0.00 O ATOM 641 CB THR A 48 3.342 19.647 5.619 1.00 0.00 C ATOM 642 OG1 THR A 48 2.756 18.406 6.068 1.00 0.00 O ATOM 643 CG2 THR A 48 2.288 20.411 4.907 1.00 0.00 C ATOM 0 H THR A 48 2.996 18.051 3.970 1.00 0.00 H new ATOM 0 HA THR A 48 4.826 20.174 4.093 1.00 0.00 H new ATOM 0 HB THR A 48 3.732 20.233 6.452 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.036 18.227 6.990 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.482 20.652 5.600 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.713 21.333 4.509 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.894 19.810 4.088 1.00 0.00 H new ATOM 651 N THR A 49 5.490 17.674 6.082 1.00 0.00 N ATOM 652 CA THR A 49 6.501 17.161 6.964 1.00 0.00 C ATOM 653 C THR A 49 6.818 15.731 6.585 1.00 0.00 C ATOM 654 O THR A 49 5.966 15.033 6.054 1.00 0.00 O ATOM 655 CB THR A 49 5.973 17.139 8.425 1.00 0.00 C ATOM 656 OG1 THR A 49 5.177 18.307 8.698 1.00 0.00 O ATOM 657 CG2 THR A 49 7.115 17.085 9.424 1.00 0.00 C ATOM 0 H THR A 49 4.654 17.094 6.009 1.00 0.00 H new ATOM 0 HA THR A 49 7.382 17.797 6.884 1.00 0.00 H new ATOM 0 HB THR A 49 5.361 16.243 8.530 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.233 18.052 8.760 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.712 17.071 10.437 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.704 16.183 9.255 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.750 17.962 9.298 1.00 0.00 H new ATOM 665 N THR A 50 8.009 15.304 6.879 1.00 0.00 N ATOM 666 CA THR A 50 8.424 13.942 6.702 1.00 0.00 C ATOM 667 C THR A 50 7.523 13.010 7.554 1.00 0.00 C ATOM 668 O THR A 50 7.153 11.928 7.129 1.00 0.00 O ATOM 669 CB THR A 50 9.920 13.838 7.127 1.00 0.00 C ATOM 670 OG1 THR A 50 10.505 12.584 6.749 1.00 0.00 O ATOM 671 CG2 THR A 50 10.109 14.074 8.615 1.00 0.00 C ATOM 0 H THR A 50 8.739 15.907 7.258 1.00 0.00 H new ATOM 0 HA THR A 50 8.325 13.632 5.662 1.00 0.00 H new ATOM 0 HB THR A 50 10.439 14.630 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.443 12.562 7.033 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.167 13.992 8.865 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.752 15.071 8.874 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.545 13.329 9.176 1.00 0.00 H new ATOM 679 N GLU A 51 7.140 13.488 8.742 1.00 0.00 N ATOM 680 CA GLU A 51 6.222 12.781 9.616 1.00 0.00 C ATOM 681 C GLU A 51 4.871 12.657 8.985 1.00 0.00 C ATOM 682 O GLU A 51 4.206 11.622 9.115 1.00 0.00 O ATOM 683 CB GLU A 51 6.129 13.466 10.965 1.00 0.00 C ATOM 684 CG GLU A 51 7.362 13.281 11.804 1.00 0.00 C ATOM 685 CD GLU A 51 7.530 11.842 12.205 1.00 0.00 C ATOM 686 OE1 GLU A 51 8.038 11.038 11.413 1.00 0.00 O ATOM 687 OE2 GLU A 51 7.138 11.485 13.333 1.00 0.00 O ATOM 0 H GLU A 51 7.463 14.379 9.118 1.00 0.00 H new ATOM 0 HA GLU A 51 6.612 11.775 9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.956 14.531 10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.267 13.076 11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.238 13.612 11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.297 13.905 12.695 1.00 0.00 H new ATOM 694 N ASP A 52 4.479 13.678 8.255 1.00 0.00 N ATOM 695 CA ASP A 52 3.214 13.680 7.560 1.00 0.00 C ATOM 696 C ASP A 52 3.286 12.730 6.406 1.00 0.00 C ATOM 697 O ASP A 52 2.358 11.960 6.167 1.00 0.00 O ATOM 698 CB ASP A 52 2.860 15.093 7.070 1.00 0.00 C ATOM 699 CG ASP A 52 2.252 15.979 8.142 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.068 15.812 8.468 1.00 0.00 O ATOM 701 OD2 ASP A 52 2.950 16.879 8.669 1.00 0.00 O ATOM 0 H ASP A 52 5.028 14.528 8.128 1.00 0.00 H new ATOM 0 HA ASP A 52 2.430 13.360 8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.761 15.570 6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.161 15.014 6.237 1.00 0.00 H new ATOM 706 N PHE A 53 4.426 12.740 5.740 1.00 0.00 N ATOM 707 CA PHE A 53 4.731 11.840 4.644 1.00 0.00 C ATOM 708 C PHE A 53 4.582 10.378 5.124 1.00 0.00 C ATOM 709 O PHE A 53 3.846 9.590 4.540 1.00 0.00 O ATOM 710 CB PHE A 53 6.168 12.111 4.158 1.00 0.00 C ATOM 711 CG PHE A 53 6.668 11.200 3.087 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.250 9.987 3.401 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.558 11.555 1.772 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.701 9.155 2.419 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.011 10.729 0.782 1.00 0.00 C ATOM 716 CZ PHE A 53 7.581 9.530 1.100 1.00 0.00 C ATOM 0 H PHE A 53 5.183 13.390 5.952 1.00 0.00 H new ATOM 0 HA PHE A 53 4.041 12.005 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.222 13.136 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.841 12.042 5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.349 9.694 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.107 12.501 1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.150 8.207 2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.918 11.025 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.937 8.876 0.318 1.00 0.00 H new ATOM 726 N LYS A 54 5.271 10.068 6.204 1.00 0.00 N ATOM 727 CA LYS A 54 5.267 8.747 6.824 1.00 0.00 C ATOM 728 C LYS A 54 3.869 8.324 7.251 1.00 0.00 C ATOM 729 O LYS A 54 3.452 7.166 7.021 1.00 0.00 O ATOM 730 CB LYS A 54 6.219 8.760 8.024 1.00 0.00 C ATOM 731 CG LYS A 54 7.680 8.774 7.612 1.00 0.00 C ATOM 732 CD LYS A 54 8.664 9.042 8.760 1.00 0.00 C ATOM 733 CE LYS A 54 8.568 8.057 9.930 1.00 0.00 C ATOM 734 NZ LYS A 54 7.513 8.422 10.903 1.00 0.00 N ATOM 0 H LYS A 54 5.865 10.740 6.690 1.00 0.00 H new ATOM 0 HA LYS A 54 5.605 8.016 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.011 9.636 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.029 7.883 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.925 7.814 7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.821 9.535 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.679 9.016 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.495 10.051 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.368 7.058 9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.529 8.014 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.795 8.110 11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.382 9.454 10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.620 7.959 10.637 1.00 0.00 H new ATOM 748 N HIS A 55 3.127 9.274 7.802 1.00 0.00 N ATOM 749 CA HIS A 55 1.761 9.052 8.281 1.00 0.00 C ATOM 750 C HIS A 55 0.866 8.700 7.102 1.00 0.00 C ATOM 751 O HIS A 55 0.114 7.719 7.145 1.00 0.00 O ATOM 752 CB HIS A 55 1.255 10.334 8.977 1.00 0.00 C ATOM 753 CG HIS A 55 -0.143 10.286 9.555 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.397 10.167 10.906 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.360 10.385 8.957 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.691 10.189 11.116 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.306 10.320 9.951 1.00 0.00 N ATOM 0 H HIS A 55 3.455 10.231 7.932 1.00 0.00 H new ATOM 0 HA HIS A 55 1.743 8.229 8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.948 10.581 9.782 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.298 11.152 8.257 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.548 10.494 7.899 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.175 10.113 12.079 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.316 10.365 9.814 1.00 0.00 H new ATOM 765 N LEU A 56 0.963 9.481 6.067 1.00 0.00 N ATOM 766 CA LEU A 56 0.156 9.275 4.902 1.00 0.00 C ATOM 767 C LEU A 56 0.531 7.982 4.217 1.00 0.00 C ATOM 768 O LEU A 56 -0.343 7.175 3.929 1.00 0.00 O ATOM 769 CB LEU A 56 0.305 10.412 3.908 1.00 0.00 C ATOM 770 CG LEU A 56 -0.969 10.982 3.296 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.687 11.587 1.946 1.00 0.00 C ATOM 772 CD2 LEU A 56 -2.146 10.019 3.292 1.00 0.00 C ATOM 0 H LEU A 56 1.601 10.275 6.007 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.880 9.233 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.833 11.226 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.944 10.067 3.095 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.299 11.785 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.610 11.988 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.042 12.390 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.289 10.821 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.011 10.504 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.887 9.130 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.385 9.732 4.316 1.00 0.00 H new ATOM 784 N ALA A 57 1.837 7.762 4.002 1.00 0.00 N ATOM 785 CA ALA A 57 2.314 6.567 3.312 1.00 0.00 C ATOM 786 C ALA A 57 1.795 5.319 3.993 1.00 0.00 C ATOM 787 O ALA A 57 1.292 4.387 3.328 1.00 0.00 O ATOM 788 CB ALA A 57 3.827 6.545 3.200 1.00 0.00 C ATOM 0 H ALA A 57 2.576 8.399 4.298 1.00 0.00 H new ATOM 0 HA ALA A 57 1.922 6.592 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.140 5.639 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.163 7.419 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.266 6.561 4.198 1.00 0.00 H new ATOM 794 N ARG A 58 1.821 5.333 5.311 1.00 0.00 N ATOM 795 CA ARG A 58 1.378 4.172 6.053 1.00 0.00 C ATOM 796 C ARG A 58 -0.150 4.020 5.981 1.00 0.00 C ATOM 797 O ARG A 58 -0.665 2.895 5.819 1.00 0.00 O ATOM 798 CB ARG A 58 1.905 4.172 7.501 1.00 0.00 C ATOM 799 CG ARG A 58 1.274 5.170 8.447 1.00 0.00 C ATOM 800 CD ARG A 58 2.046 5.205 9.740 1.00 0.00 C ATOM 801 NE ARG A 58 1.418 6.038 10.763 1.00 0.00 N ATOM 802 CZ ARG A 58 2.036 6.456 11.879 1.00 0.00 C ATOM 803 NH1 ARG A 58 3.366 6.376 11.982 1.00 0.00 N ATOM 804 NH2 ARG A 58 1.329 6.995 12.868 1.00 0.00 N ATOM 0 H ARG A 58 2.137 6.118 5.880 1.00 0.00 H new ATOM 0 HA ARG A 58 1.811 3.292 5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.766 3.173 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.979 4.359 7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.264 6.160 7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.236 4.897 8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.150 4.189 10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.052 5.577 9.545 1.00 0.00 H new ATOM 0 HE ARG A 58 0.448 6.320 10.620 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.915 5.996 11.211 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.832 6.695 12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.317 7.091 12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.798 7.313 13.716 1.00 0.00 H new ATOM 818 N LYS A 59 -0.869 5.144 6.037 1.00 0.00 N ATOM 819 CA LYS A 59 -2.324 5.109 5.954 1.00 0.00 C ATOM 820 C LYS A 59 -2.792 4.608 4.584 1.00 0.00 C ATOM 821 O LYS A 59 -3.701 3.789 4.491 1.00 0.00 O ATOM 822 CB LYS A 59 -2.964 6.478 6.264 1.00 0.00 C ATOM 823 CG LYS A 59 -4.488 6.424 6.224 1.00 0.00 C ATOM 824 CD LYS A 59 -5.159 7.727 6.617 1.00 0.00 C ATOM 825 CE LYS A 59 -6.664 7.518 6.659 1.00 0.00 C ATOM 826 NZ LYS A 59 -7.404 8.670 7.209 1.00 0.00 N ATOM 0 H LYS A 59 -0.470 6.077 6.138 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.658 4.407 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.640 6.814 7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.609 7.215 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.806 6.152 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.832 5.634 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.798 8.057 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.908 8.510 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.023 7.314 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.883 6.635 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.253 8.332 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.796 9.187 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.686 9.304 6.434 1.00 0.00 H new ATOM 840 N LEU A 60 -2.151 5.088 3.532 1.00 0.00 N ATOM 841 CA LEU A 60 -2.505 4.707 2.161 1.00 0.00 C ATOM 842 C LEU A 60 -2.237 3.248 1.946 1.00 0.00 C ATOM 843 O LEU A 60 -3.042 2.543 1.327 1.00 0.00 O ATOM 844 CB LEU A 60 -1.733 5.565 1.190 1.00 0.00 C ATOM 845 CG LEU A 60 -2.028 7.027 1.368 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.944 7.894 0.767 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.381 7.359 0.787 1.00 0.00 C ATOM 0 H LEU A 60 -1.376 5.748 3.595 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.569 4.872 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.665 5.392 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.978 5.268 0.170 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.048 7.241 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.194 8.944 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.008 7.675 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.863 7.688 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.584 8.421 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.389 7.120 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.148 6.776 1.296 1.00 0.00 H new ATOM 859 N THR A 61 -1.105 2.789 2.498 1.00 0.00 N ATOM 860 CA THR A 61 -0.758 1.379 2.471 1.00 0.00 C ATOM 861 C THR A 61 -1.874 0.597 3.108 1.00 0.00 C ATOM 862 O THR A 61 -2.355 -0.398 2.572 1.00 0.00 O ATOM 863 CB THR A 61 0.563 1.110 3.254 1.00 0.00 C ATOM 864 OG1 THR A 61 1.646 1.835 2.660 1.00 0.00 O ATOM 865 CG2 THR A 61 0.904 -0.374 3.277 1.00 0.00 C ATOM 0 H THR A 61 -0.420 3.382 2.967 1.00 0.00 H new ATOM 0 HA THR A 61 -0.612 1.074 1.435 1.00 0.00 H new ATOM 0 HB THR A 61 0.412 1.446 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.753 2.696 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.830 -0.526 3.831 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.098 -0.925 3.761 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.028 -0.735 2.256 1.00 0.00 H new ATOM 873 N HIS A 62 -2.344 1.127 4.203 1.00 0.00 N ATOM 874 CA HIS A 62 -3.350 0.463 4.992 1.00 0.00 C ATOM 875 C HIS A 62 -4.714 0.451 4.276 1.00 0.00 C ATOM 876 O HIS A 62 -5.454 -0.537 4.369 1.00 0.00 O ATOM 877 CB HIS A 62 -3.417 1.082 6.398 1.00 0.00 C ATOM 878 CG HIS A 62 -4.421 0.496 7.370 1.00 0.00 C ATOM 879 ND1 HIS A 62 -4.097 -0.468 8.297 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.725 0.795 7.592 1.00 0.00 C ATOM 881 CE1 HIS A 62 -5.137 -0.739 9.044 1.00 0.00 C ATOM 882 NE2 HIS A 62 -6.147 0.012 8.643 1.00 0.00 N ATOM 0 H HIS A 62 -2.043 2.028 4.575 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.068 -0.583 5.112 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.427 1.004 6.848 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.635 2.144 6.288 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.320 1.512 7.047 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.165 -1.455 9.852 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.084 0.012 9.045 1.00 0.00 H new ATOM 890 N GLY A 63 -5.026 1.503 3.553 1.00 0.00 N ATOM 891 CA GLY A 63 -6.305 1.568 2.869 1.00 0.00 C ATOM 892 C GLY A 63 -6.372 0.684 1.639 1.00 0.00 C ATOM 893 O GLY A 63 -7.396 0.051 1.399 1.00 0.00 O ATOM 0 H GLY A 63 -4.424 2.316 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.095 1.276 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.502 2.600 2.578 1.00 0.00 H new ATOM 897 N VAL A 64 -5.282 0.605 0.873 1.00 0.00 N ATOM 898 CA VAL A 64 -5.257 -0.271 -0.324 1.00 0.00 C ATOM 899 C VAL A 64 -5.357 -1.717 0.139 1.00 0.00 C ATOM 900 O VAL A 64 -6.136 -2.523 -0.401 1.00 0.00 O ATOM 901 CB VAL A 64 -3.956 -0.087 -1.169 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.915 -1.068 -2.349 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.849 1.343 -1.677 1.00 0.00 C ATOM 0 H VAL A 64 -4.418 1.120 1.045 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.097 0.000 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.106 -0.299 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.998 -0.915 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.943 -2.091 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.776 -0.896 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.937 1.453 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.712 1.573 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.821 2.029 -0.830 1.00 0.00 H new ATOM 913 N MET A 65 -4.657 -1.958 1.225 1.00 0.00 N ATOM 914 CA MET A 65 -4.559 -3.251 1.874 1.00 0.00 C ATOM 915 C MET A 65 -5.928 -3.729 2.304 1.00 0.00 C ATOM 916 O MET A 65 -6.352 -4.826 1.966 1.00 0.00 O ATOM 917 CB MET A 65 -3.636 -3.117 3.077 1.00 0.00 C ATOM 918 CG MET A 65 -3.517 -4.316 3.966 1.00 0.00 C ATOM 919 SD MET A 65 -2.206 -4.063 5.160 1.00 0.00 S ATOM 920 CE MET A 65 -2.545 -5.382 6.269 1.00 0.00 C ATOM 0 H MET A 65 -4.119 -1.233 1.700 1.00 0.00 H new ATOM 0 HA MET A 65 -4.153 -3.986 1.179 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.640 -2.860 2.716 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.982 -2.278 3.681 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.461 -4.492 4.482 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.310 -5.204 3.368 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.923 -5.279 7.158 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.596 -5.355 6.556 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.327 -6.332 5.782 1.00 0.00 H new ATOM 930 N ASN A 66 -6.614 -2.878 3.017 1.00 0.00 N ATOM 931 CA ASN A 66 -7.928 -3.172 3.534 1.00 0.00 C ATOM 932 C ASN A 66 -8.965 -3.350 2.442 1.00 0.00 C ATOM 933 O ASN A 66 -9.824 -4.250 2.532 1.00 0.00 O ATOM 934 CB ASN A 66 -8.333 -2.133 4.569 1.00 0.00 C ATOM 935 CG ASN A 66 -7.931 -2.537 5.966 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.690 -3.175 6.689 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.738 -2.192 6.348 1.00 0.00 N ATOM 0 H ASN A 66 -6.274 -1.948 3.260 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.879 -4.139 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.872 -1.177 4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.412 -1.986 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.405 -2.452 7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.135 -1.662 5.719 1.00 0.00 H new ATOM 944 N LYS A 67 -8.866 -2.565 1.392 1.00 0.00 N ATOM 945 CA LYS A 67 -9.797 -2.688 0.298 1.00 0.00 C ATOM 946 C LYS A 67 -9.604 -3.985 -0.465 1.00 0.00 C ATOM 947 O LYS A 67 -10.580 -4.652 -0.832 1.00 0.00 O ATOM 948 CB LYS A 67 -9.804 -1.476 -0.628 1.00 0.00 C ATOM 949 CG LYS A 67 -10.298 -0.204 0.043 1.00 0.00 C ATOM 950 CD LYS A 67 -10.431 0.926 -0.953 1.00 0.00 C ATOM 951 CE LYS A 67 -10.862 2.228 -0.282 1.00 0.00 C ATOM 952 NZ LYS A 67 -9.848 2.740 0.668 1.00 0.00 N ATOM 0 H LYS A 67 -8.156 -1.842 1.275 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.788 -2.720 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.795 -1.310 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.435 -1.691 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.262 -0.390 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.606 0.085 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.478 1.077 -1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.159 0.653 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.052 2.981 -1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.801 2.067 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.098 3.708 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.818 2.127 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.914 2.745 0.210 1.00 0.00 H new ATOM 966 N GLU A 68 -8.384 -4.402 -0.667 1.00 0.00 N ATOM 967 CA GLU A 68 -8.225 -5.621 -1.339 1.00 0.00 C ATOM 968 C GLU A 68 -8.501 -6.782 -0.440 1.00 0.00 C ATOM 969 O GLU A 68 -9.067 -7.733 -0.863 1.00 0.00 O ATOM 970 CB GLU A 68 -6.955 -5.715 -2.084 1.00 0.00 C ATOM 971 CG GLU A 68 -5.682 -5.586 -1.307 1.00 0.00 C ATOM 972 CD GLU A 68 -4.552 -5.649 -2.264 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.134 -6.782 -2.648 1.00 0.00 O ATOM 974 OE2 GLU A 68 -4.147 -4.587 -2.732 1.00 0.00 O ATOM 0 H GLU A 68 -7.529 -3.925 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.986 -5.661 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.938 -6.676 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.959 -4.942 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.664 -4.644 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.603 -6.386 -0.571 1.00 0.00 H new ATOM 981 N LEU A 69 -8.141 -6.687 0.813 1.00 0.00 N ATOM 982 CA LEU A 69 -8.531 -7.706 1.783 1.00 0.00 C ATOM 983 C LEU A 69 -10.045 -7.886 1.853 1.00 0.00 C ATOM 984 O LEU A 69 -10.523 -9.005 2.074 1.00 0.00 O ATOM 985 CB LEU A 69 -7.969 -7.395 3.163 1.00 0.00 C ATOM 986 CG LEU A 69 -6.494 -7.712 3.368 1.00 0.00 C ATOM 987 CD1 LEU A 69 -5.987 -7.088 4.650 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.305 -9.222 3.412 1.00 0.00 C ATOM 0 H LEU A 69 -7.582 -5.924 1.195 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.104 -8.647 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.125 -6.336 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.546 -7.950 3.902 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.923 -7.296 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.931 -7.326 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.112 -6.006 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.553 -7.481 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.250 -9.452 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.885 -9.637 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.645 -9.659 2.473 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.798 -6.818 1.631 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.246 -6.929 1.660 1.00 0.00 C ATOM 1002 C LYS A 70 -12.785 -7.458 0.333 1.00 0.00 C ATOM 1003 O LYS A 70 -13.828 -8.087 0.297 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.906 -5.597 2.057 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.864 -4.550 1.008 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.354 -3.215 1.480 1.00 0.00 C ATOM 1007 CE LYS A 70 -14.789 -3.254 1.977 1.00 0.00 C ATOM 1008 NZ LYS A 70 -15.239 -1.925 2.412 1.00 0.00 N ATOM 0 H LYS A 70 -10.439 -5.884 1.433 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.508 -7.655 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.946 -5.787 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.415 -5.216 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.840 -4.447 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.468 -4.871 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.707 -2.859 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.277 -2.496 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.441 -3.620 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.870 -3.957 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.222 -1.983 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.630 -1.588 3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.184 -1.261 1.613 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.069 -7.206 -0.756 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.510 -7.685 -2.076 1.00 0.00 C ATOM 1024 C TYR A 71 -11.956 -9.065 -2.416 1.00 0.00 C ATOM 1025 O TYR A 71 -12.574 -9.828 -3.155 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.167 -6.662 -3.176 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.907 -5.334 -3.030 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.880 -5.169 -2.058 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.634 -4.260 -3.855 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.552 -4.011 -1.897 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.318 -3.066 -3.710 1.00 0.00 C ATOM 1032 CZ TYR A 71 -14.277 -2.946 -2.723 1.00 0.00 C ATOM 1033 OH TYR A 71 -14.971 -1.760 -2.577 1.00 0.00 O ATOM 0 H TYR A 71 -11.194 -6.682 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.594 -7.789 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.094 -6.473 -3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.403 -7.094 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -14.109 -5.998 -1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.879 -4.353 -4.621 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.301 -3.920 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.104 -2.234 -4.364 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.653 -1.111 -3.239 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.812 -9.375 -1.879 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.160 -10.643 -2.101 1.00 0.00 C ATOM 1045 C CYS A 72 -10.633 -11.694 -1.116 1.00 0.00 C ATOM 1046 O CYS A 72 -10.958 -12.806 -1.511 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.632 -10.486 -2.005 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.876 -9.578 -3.370 1.00 0.00 S ATOM 0 H CYS A 72 -10.294 -8.748 -1.264 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.425 -10.976 -3.104 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.391 -9.977 -1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.182 -11.477 -1.953 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.260 -10.410 -4.156 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.644 -11.338 0.184 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.011 -12.260 1.292 1.00 0.00 C ATOM 1056 C LYS A 73 -9.951 -13.369 1.496 1.00 0.00 C ATOM 1057 O LYS A 73 -10.064 -14.198 2.398 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.418 -12.882 1.097 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.571 -11.877 1.036 1.00 0.00 C ATOM 1060 CD LYS A 73 -13.724 -11.112 2.343 1.00 0.00 C ATOM 1061 CE LYS A 73 -14.929 -10.174 2.313 1.00 0.00 C ATOM 1062 NZ LYS A 73 -16.199 -10.886 2.052 1.00 0.00 N ATOM 0 H LYS A 73 -10.399 -10.401 0.502 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.041 -11.651 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.416 -13.465 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.607 -13.578 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.397 -11.174 0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.499 -12.402 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.833 -11.818 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.819 -10.535 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.000 -9.650 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.776 -9.417 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.000 -10.260 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.243 -11.162 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.249 -11.737 2.648 1.00 0.00 H new ATOM 1076 N ASN A 74 -8.918 -13.342 0.682 1.00 0.00 N ATOM 1077 CA ASN A 74 -7.850 -14.332 0.703 1.00 0.00 C ATOM 1078 C ASN A 74 -6.514 -13.604 0.667 1.00 0.00 C ATOM 1079 O ASN A 74 -6.170 -13.015 -0.342 1.00 0.00 O ATOM 1080 CB ASN A 74 -7.932 -15.261 -0.539 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.162 -16.169 -0.618 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -9.662 -16.452 -1.717 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -9.635 -16.663 0.504 1.00 0.00 N ATOM 0 H ASN A 74 -8.790 -12.621 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.949 -14.935 1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.905 -14.640 -1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.040 -15.888 -0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.434 -17.297 0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.203 -16.412 1.394 1.00 0.00 H new ATOM 1090 N PRO A 75 -5.775 -13.552 1.771 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.459 -12.900 1.791 1.00 0.00 C ATOM 1092 C PRO A 75 -3.347 -13.634 1.090 1.00 0.00 C ATOM 1093 O PRO A 75 -2.253 -13.109 0.933 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.105 -12.761 3.182 1.00 0.00 C ATOM 1095 CG PRO A 75 -4.971 -13.768 3.931 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.182 -14.021 3.098 1.00 0.00 C ATOM 0 HA PRO A 75 -4.558 -11.962 1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.045 -12.963 3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.291 -11.746 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.422 -14.694 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.253 -13.379 4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.451 -15.077 3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.049 -13.475 3.470 1.00 0.00 H new ATOM 1104 N GLU A 76 -3.588 -14.837 0.708 1.00 0.00 N ATOM 1105 CA GLU A 76 -2.675 -15.530 -0.180 1.00 0.00 C ATOM 1106 C GLU A 76 -2.827 -14.923 -1.597 1.00 0.00 C ATOM 1107 O GLU A 76 -2.117 -15.267 -2.547 1.00 0.00 O ATOM 1108 CB GLU A 76 -2.948 -17.021 -0.197 1.00 0.00 C ATOM 1109 CG GLU A 76 -1.931 -17.840 -0.966 1.00 0.00 C ATOM 1110 CD GLU A 76 -2.375 -19.249 -1.166 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -2.307 -20.044 -0.230 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -2.821 -19.583 -2.281 1.00 0.00 O ATOM 0 H GLU A 76 -4.407 -15.377 0.988 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.652 -15.402 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.984 -17.382 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.934 -17.192 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.753 -17.376 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.982 -17.833 -0.430 1.00 0.00 H new ATOM 1119 N ASP A 77 -3.756 -14.003 -1.697 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.017 -13.268 -2.914 1.00 0.00 C ATOM 1121 C ASP A 77 -3.663 -11.813 -2.651 1.00 0.00 C ATOM 1122 O ASP A 77 -3.815 -10.957 -3.502 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.494 -13.422 -3.342 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.828 -12.786 -4.689 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.247 -13.210 -5.723 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.686 -11.874 -4.754 1.00 0.00 O ATOM 0 H ASP A 77 -4.363 -13.738 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.414 -13.656 -3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.739 -14.483 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.130 -12.978 -2.576 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.163 -11.555 -1.445 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.736 -10.269 -1.040 1.00 0.00 C ATOM 1133 C LEU A 78 -1.244 -10.162 -1.312 1.00 0.00 C ATOM 1134 O LEU A 78 -0.407 -10.743 -0.611 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.025 -10.116 0.431 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.594 -8.844 1.077 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.361 -7.663 0.530 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.709 -8.925 2.569 1.00 0.00 C ATOM 0 H LEU A 78 -3.052 -12.268 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.257 -9.482 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.100 -10.223 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.547 -10.942 0.958 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.542 -8.692 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.023 -6.751 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.188 -7.582 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.426 -7.803 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.387 -7.982 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.746 -9.119 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.078 -9.733 2.939 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.952 -9.494 -2.350 1.00 0.00 N ATOM 1151 CA GLU A 79 0.350 -9.298 -2.869 1.00 0.00 C ATOM 1152 C GLU A 79 0.422 -7.871 -3.313 1.00 0.00 C ATOM 1153 O GLU A 79 -0.573 -7.317 -3.714 1.00 0.00 O ATOM 1154 CB GLU A 79 0.461 -10.181 -4.097 1.00 0.00 C ATOM 1155 CG GLU A 79 1.682 -9.992 -4.951 1.00 0.00 C ATOM 1156 CD GLU A 79 2.962 -10.372 -4.276 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.481 -9.573 -3.474 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.495 -11.459 -4.557 1.00 0.00 O ATOM 0 H GLU A 79 -1.668 -9.030 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 79 1.132 -9.526 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.429 -11.221 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.419 -10.013 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.573 -10.584 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.741 -8.947 -5.257 1.00 0.00 H new ATOM 1165 N CYS A 80 1.568 -7.293 -3.275 1.00 0.00 N ATOM 1166 CA CYS A 80 1.734 -5.990 -3.818 1.00 0.00 C ATOM 1167 C CYS A 80 2.108 -6.193 -5.250 1.00 0.00 C ATOM 1168 O CYS A 80 3.274 -6.133 -5.635 1.00 0.00 O ATOM 1169 CB CYS A 80 2.771 -5.154 -3.045 1.00 0.00 C ATOM 1170 SG CYS A 80 3.193 -3.557 -3.793 1.00 0.00 S ATOM 0 H CYS A 80 2.410 -7.703 -2.872 1.00 0.00 H new ATOM 0 HA CYS A 80 0.815 -5.410 -3.733 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.392 -4.976 -2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.684 -5.741 -2.943 1.00 0.00 H new ATOM 0 HG CYS A 80 4.486 -3.439 -3.864 1.00 0.00 H new ATOM 1176 N ASN A 81 1.120 -6.566 -6.018 1.00 0.00 N ATOM 1177 CA ASN A 81 1.354 -6.922 -7.384 1.00 0.00 C ATOM 1178 C ASN A 81 1.085 -5.743 -8.244 1.00 0.00 C ATOM 1179 O ASN A 81 0.741 -4.680 -7.763 1.00 0.00 O ATOM 1180 CB ASN A 81 0.499 -8.101 -7.838 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.977 -7.718 -7.952 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.388 -7.189 -8.886 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.735 -7.962 -7.016 1.00 0.00 N ATOM 0 H ASN A 81 0.147 -6.630 -5.718 1.00 0.00 H new ATOM 0 HA ASN A 81 2.395 -7.233 -7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.857 -8.460 -8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.608 -8.923 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.718 -7.695 -7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.381 -8.431 -6.182 1.00 0.00 H new ATOM 1190 N GLU A 82 1.219 -5.970 -9.492 1.00 0.00 N ATOM 1191 CA GLU A 82 1.007 -5.026 -10.541 1.00 0.00 C ATOM 1192 C GLU A 82 -0.350 -4.322 -10.406 1.00 0.00 C ATOM 1193 O GLU A 82 -0.413 -3.101 -10.339 1.00 0.00 O ATOM 1194 CB GLU A 82 1.046 -5.825 -11.800 1.00 0.00 C ATOM 1195 CG GLU A 82 1.278 -5.048 -13.069 1.00 0.00 C ATOM 1196 CD GLU A 82 0.150 -4.113 -13.489 1.00 0.00 C ATOM 1197 OE1 GLU A 82 -0.987 -4.572 -13.689 1.00 0.00 O ATOM 1198 OE2 GLU A 82 0.402 -2.894 -13.612 1.00 0.00 O ATOM 0 H GLU A 82 1.500 -6.885 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 82 1.762 -4.240 -10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.833 -6.574 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.103 -6.363 -11.894 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.188 -4.459 -12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.459 -5.756 -13.878 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.390 -5.121 -10.344 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.773 -4.694 -10.170 1.00 0.00 C ATOM 1207 C ASN A 83 -2.861 -3.846 -8.969 1.00 0.00 C ATOM 1208 O ASN A 83 -3.417 -2.731 -9.018 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.717 -5.902 -9.956 1.00 0.00 C ATOM 1210 CG ASN A 83 -3.759 -6.866 -11.124 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -4.497 -6.667 -12.098 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -3.022 -7.932 -11.020 1.00 0.00 N ATOM 0 H ASN A 83 -1.298 -6.134 -10.416 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.074 -4.157 -11.070 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.402 -6.442 -9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.725 -5.533 -9.766 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.040 -8.638 -11.756 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.426 -8.062 -10.203 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.274 -4.338 -7.881 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.299 -3.586 -6.644 1.00 0.00 C ATOM 1221 C VAL A 84 -1.613 -2.246 -6.810 1.00 0.00 C ATOM 1222 O VAL A 84 -2.197 -1.200 -6.505 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.680 -4.367 -5.504 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.557 -3.530 -4.258 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.518 -5.542 -5.217 1.00 0.00 C ATOM 0 H VAL A 84 -1.788 -5.233 -7.836 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.344 -3.407 -6.393 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.678 -4.672 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.109 -4.125 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.927 -2.664 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.546 -3.194 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.079 -6.110 -4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.519 -5.215 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.577 -6.172 -6.104 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.408 -2.285 -7.350 1.00 0.00 N ATOM 1236 CA LYS A 85 0.385 -1.088 -7.572 1.00 0.00 C ATOM 1237 C LYS A 85 -0.367 -0.098 -8.398 1.00 0.00 C ATOM 1238 O LYS A 85 -0.471 1.043 -8.026 1.00 0.00 O ATOM 1239 CB LYS A 85 1.688 -1.426 -8.251 1.00 0.00 C ATOM 1240 CG LYS A 85 2.566 -2.263 -7.402 1.00 0.00 C ATOM 1241 CD LYS A 85 3.808 -2.669 -8.117 1.00 0.00 C ATOM 1242 CE LYS A 85 4.468 -3.746 -7.335 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.752 -4.167 -7.912 1.00 0.00 N ATOM 0 H LYS A 85 0.049 -3.147 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 85 0.597 -0.648 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.483 -1.950 -9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.209 -0.505 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.830 -1.712 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.023 -3.153 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.570 -3.021 -9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.478 -1.816 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.630 -3.400 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.802 -4.607 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.166 -4.919 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.599 -4.525 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.401 -3.355 -7.943 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.952 -0.595 -9.461 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.718 0.202 -10.428 1.00 0.00 C ATOM 1259 C HIS A 86 -2.793 0.990 -9.691 1.00 0.00 C ATOM 1260 O HIS A 86 -2.876 2.231 -9.773 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.373 -0.740 -11.478 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.086 -0.057 -12.629 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -2.664 -0.163 -13.934 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -4.215 0.697 -12.667 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -3.484 0.487 -14.724 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.441 1.022 -13.984 1.00 0.00 N ATOM 0 H HIS A 86 -0.916 -1.587 -9.696 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.052 0.896 -10.942 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.599 -1.388 -11.889 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.087 -1.383 -10.964 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.821 0.987 -11.822 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.393 0.571 -15.797 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.218 1.583 -14.333 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.568 0.272 -8.922 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.682 0.869 -8.215 1.00 0.00 C ATOM 1276 C LYS A 87 -4.199 1.803 -7.143 1.00 0.00 C ATOM 1277 O LYS A 87 -4.834 2.802 -6.854 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.599 -0.190 -7.639 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.163 -1.090 -8.700 1.00 0.00 C ATOM 1280 CD LYS A 87 -7.089 -2.121 -8.129 1.00 0.00 C ATOM 1281 CE LYS A 87 -7.498 -3.104 -9.203 1.00 0.00 C ATOM 1282 NZ LYS A 87 -8.230 -2.465 -10.322 1.00 0.00 N ATOM 0 H LYS A 87 -3.452 -0.729 -8.766 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.259 1.450 -8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.049 -0.788 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.416 0.292 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.698 -0.491 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.347 -1.587 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.599 -2.648 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.972 -1.637 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.609 -3.599 -9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.125 -3.878 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.616 -3.200 -10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.008 -1.888 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.580 -1.858 -10.860 1.00 0.00 H new ATOM 1296 N THR A 88 -3.051 1.511 -6.629 1.00 0.00 N ATOM 1297 CA THR A 88 -2.498 2.222 -5.575 1.00 0.00 C ATOM 1298 C THR A 88 -2.013 3.545 -6.020 1.00 0.00 C ATOM 1299 O THR A 88 -2.510 4.537 -5.566 1.00 0.00 O ATOM 1300 CB THR A 88 -1.380 1.427 -4.977 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.923 0.301 -4.337 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.576 2.261 -4.033 1.00 0.00 C ATOM 0 H THR A 88 -2.469 0.741 -6.958 1.00 0.00 H new ATOM 0 HA THR A 88 -3.268 2.391 -4.822 1.00 0.00 H new ATOM 0 HB THR A 88 -0.700 1.099 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.985 -0.440 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.230 1.660 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.153 3.111 -4.568 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.218 2.621 -3.229 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.087 3.562 -6.939 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.555 4.806 -7.402 1.00 0.00 C ATOM 1312 C LYS A 89 -1.616 5.698 -8.055 1.00 0.00 C ATOM 1313 O LYS A 89 -1.579 6.911 -7.907 1.00 0.00 O ATOM 1314 CB LYS A 89 0.714 4.605 -8.262 1.00 0.00 C ATOM 1315 CG LYS A 89 0.682 3.423 -9.214 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.270 3.570 -10.316 1.00 0.00 C ATOM 1317 CE LYS A 89 0.100 4.672 -11.281 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.272 4.337 -12.124 1.00 0.00 N ATOM 0 H LYS A 89 -0.689 2.731 -7.378 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.230 5.363 -6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.885 5.512 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.568 4.488 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.680 3.276 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.434 2.523 -8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.335 2.627 -10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.260 3.771 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.754 4.885 -11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.312 5.582 -10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.425 5.093 -12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.116 4.243 -11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.098 3.439 -12.619 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.599 5.075 -8.735 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.720 5.851 -9.299 1.00 0.00 C ATOM 1334 C GLU A 90 -4.596 6.414 -8.175 1.00 0.00 C ATOM 1335 O GLU A 90 -5.026 7.596 -8.220 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.567 5.034 -10.275 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.881 4.707 -11.602 1.00 0.00 C ATOM 1338 CD GLU A 90 -3.462 5.950 -12.375 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -4.333 6.752 -12.778 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -2.258 6.152 -12.587 1.00 0.00 O ATOM 0 H GLU A 90 -2.641 4.070 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.285 6.674 -9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.854 4.101 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.486 5.582 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.002 4.092 -11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.557 4.113 -12.218 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.765 5.614 -7.116 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.551 6.032 -5.971 1.00 0.00 C ATOM 1349 C TYR A 91 -4.845 7.174 -5.317 1.00 0.00 C ATOM 1350 O TYR A 91 -5.442 8.181 -5.056 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.750 4.872 -4.972 1.00 0.00 C ATOM 1352 CG TYR A 91 -6.054 5.284 -3.545 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.207 5.981 -3.216 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.173 4.954 -2.524 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.472 6.339 -1.910 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.423 5.306 -1.229 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.576 6.003 -0.918 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.839 6.345 0.384 1.00 0.00 O ATOM 0 H TYR A 91 -4.366 4.679 -7.037 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.543 6.340 -6.302 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.564 4.242 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.849 4.258 -4.970 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.908 6.247 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.272 4.408 -2.759 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.375 6.879 -1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.723 5.041 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.249 5.839 0.981 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.553 6.994 -5.097 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.681 8.014 -4.528 1.00 0.00 C ATOM 1370 C ILE A 92 -2.823 9.331 -5.248 1.00 0.00 C ATOM 1371 O ILE A 92 -3.060 10.339 -4.594 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.211 7.569 -4.588 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.983 6.327 -3.721 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.279 8.718 -4.190 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.775 6.599 -2.293 1.00 0.00 C ATOM 0 H ILE A 92 -3.071 6.121 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.983 8.147 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.974 7.297 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.842 5.664 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.116 5.789 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.756 8.381 -4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.421 9.555 -4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.508 9.037 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.622 5.659 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.102 7.233 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.650 7.107 -1.888 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.682 9.320 -6.572 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.835 10.532 -7.362 1.00 0.00 C ATOM 1389 C LYS A 93 -4.128 11.204 -6.991 1.00 0.00 C ATOM 1390 O LYS A 93 -4.138 12.310 -6.408 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.887 10.223 -8.856 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.635 9.639 -9.451 1.00 0.00 C ATOM 1393 CD LYS A 93 -1.879 9.293 -10.901 1.00 0.00 C ATOM 1394 CE LYS A 93 -0.643 8.756 -11.572 1.00 0.00 C ATOM 1395 NZ LYS A 93 -0.906 8.387 -12.973 1.00 0.00 N ATOM 0 H LYS A 93 -2.463 8.486 -7.116 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.977 11.172 -7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.709 9.530 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.124 11.143 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.814 10.352 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.339 8.747 -8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.677 8.553 -10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.222 10.181 -11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.147 9.506 -11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.282 7.884 -11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.020 8.430 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.289 7.421 -13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.596 9.049 -13.383 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.199 10.456 -7.145 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.518 11.021 -7.008 1.00 0.00 C ATOM 1411 C LYS A 94 -6.739 11.475 -5.586 1.00 0.00 C ATOM 1412 O LYS A 94 -7.409 12.478 -5.335 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.575 10.011 -7.409 1.00 0.00 C ATOM 1414 CG LYS A 94 -7.433 9.492 -8.819 1.00 0.00 C ATOM 1415 CD LYS A 94 -8.364 8.325 -9.067 1.00 0.00 C ATOM 1416 CE LYS A 94 -8.147 7.742 -10.443 1.00 0.00 C ATOM 1417 NZ LYS A 94 -9.046 6.604 -10.709 1.00 0.00 N ATOM 0 H LYS A 94 -5.180 9.460 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.599 11.882 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.537 9.169 -6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.558 10.468 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.650 10.291 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.403 9.183 -8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.198 7.556 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.399 8.653 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.309 8.515 -11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.111 7.416 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.864 6.234 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.874 5.855 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.035 6.920 -10.643 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.159 10.750 -4.672 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.249 11.058 -3.314 1.00 0.00 C ATOM 1433 C TYR A 95 -5.569 12.392 -2.999 1.00 0.00 C ATOM 1434 O TYR A 95 -6.168 13.273 -2.421 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.631 9.931 -2.533 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.533 10.245 -1.098 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.659 10.231 -0.300 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.336 10.612 -0.543 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.588 10.579 1.010 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.255 10.951 0.759 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.389 10.941 1.543 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.319 11.287 2.866 1.00 0.00 O ATOM 0 H TYR A 95 -5.606 9.918 -4.876 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.296 11.170 -3.032 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.226 9.028 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.637 9.719 -2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.609 9.939 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.447 10.630 -1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.476 10.569 1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.304 11.230 1.187 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.071 10.885 3.349 1.00 0.00 H new ATOM 1452 N MET A 96 -4.333 12.535 -3.410 1.00 0.00 N ATOM 1453 CA MET A 96 -3.563 13.727 -3.127 1.00 0.00 C ATOM 1454 C MET A 96 -4.200 14.961 -3.746 1.00 0.00 C ATOM 1455 O MET A 96 -4.039 16.080 -3.236 1.00 0.00 O ATOM 1456 CB MET A 96 -2.147 13.583 -3.601 1.00 0.00 C ATOM 1457 CG MET A 96 -1.424 12.353 -3.090 1.00 0.00 C ATOM 1458 SD MET A 96 -1.351 12.282 -1.316 1.00 0.00 S ATOM 1459 CE MET A 96 -0.502 13.799 -0.997 1.00 0.00 C ATOM 0 H MET A 96 -3.830 11.831 -3.950 1.00 0.00 H new ATOM 0 HA MET A 96 -3.555 13.854 -2.045 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.145 13.561 -4.691 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.586 14.468 -3.299 1.00 0.00 H new ATOM 0 HG2 MET A 96 -1.926 11.461 -3.464 1.00 0.00 H new ATOM 0 HG3 MET A 96 -0.411 12.340 -3.491 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.143 13.679 -0.127 1.00 0.00 H new ATOM 0 HE2 MET A 96 0.103 14.066 -1.863 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.228 14.589 -0.804 1.00 0.00 H new ATOM 1469 N GLN A 97 -4.954 14.747 -4.821 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.626 15.844 -5.508 1.00 0.00 C ATOM 1471 C GLN A 97 -6.623 16.549 -4.603 1.00 0.00 C ATOM 1472 O GLN A 97 -6.897 17.742 -4.776 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.331 15.398 -6.788 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.479 14.597 -7.757 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.083 15.139 -7.949 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.833 16.001 -8.797 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.159 14.586 -7.207 1.00 0.00 N ATOM 0 H GLN A 97 -5.114 13.828 -5.233 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.836 16.542 -5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.200 14.799 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.704 16.283 -7.304 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.412 13.569 -7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.981 14.566 -8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.414 13.877 -6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.184 14.863 -7.316 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.115 15.839 -3.604 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.148 16.383 -2.751 1.00 0.00 C ATOM 1488 C LYS A 98 -7.590 17.397 -1.750 1.00 0.00 C ATOM 1489 O LYS A 98 -8.328 18.240 -1.241 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.926 15.280 -1.997 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.191 14.635 -0.813 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.104 14.531 0.392 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.484 15.918 0.901 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.647 15.900 1.813 1.00 0.00 N ATOM 0 H LYS A 98 -6.817 14.893 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.842 16.897 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.861 15.706 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.189 14.496 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.838 13.643 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.311 15.226 -0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.004 13.976 0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.607 13.971 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.630 16.356 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.706 16.563 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.177 16.790 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.266 15.101 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.317 15.797 2.794 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.299 17.300 -1.453 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.681 18.193 -0.476 1.00 0.00 C ATOM 1510 C PHE A 99 -5.498 19.586 -1.037 1.00 0.00 C ATOM 1511 O PHE A 99 -5.648 20.581 -0.325 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.340 17.662 0.024 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.413 16.423 0.866 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.041 16.444 2.103 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.811 15.253 0.449 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.077 15.315 2.895 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.848 14.129 1.244 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.486 14.171 2.463 1.00 0.00 C ATOM 0 H PHE A 99 -5.664 16.619 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.366 18.239 0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.705 17.458 -0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.851 18.446 0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.507 17.355 2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.308 15.219 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.573 15.341 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.377 13.216 0.911 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.517 13.286 3.082 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.184 19.658 -2.296 1.00 0.00 N ATOM 1529 CA GLY A 100 -4.978 20.915 -2.910 1.00 0.00 C ATOM 1530 C GLY A 100 -3.537 21.133 -3.124 1.00 0.00 C ATOM 1531 O GLY A 100 -2.871 20.290 -3.694 1.00 0.00 O ATOM 0 H GLY A 100 -5.067 18.853 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.507 20.957 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.386 21.708 -2.283 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.040 22.205 -2.617 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.650 22.534 -2.768 1.00 0.00 C ATOM 1537 C ALA A 101 -0.820 21.745 -1.784 1.00 0.00 C ATOM 1538 O ALA A 101 0.177 21.130 -2.150 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.438 24.020 -2.584 1.00 0.00 C ATOM 0 H ALA A 101 -3.579 22.886 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.331 22.269 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.380 24.254 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.015 24.565 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.766 24.314 -1.587 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.260 21.708 -0.547 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.540 21.027 0.473 1.00 0.00 C ATOM 1547 C VAL A 102 -1.338 19.921 1.090 1.00 0.00 C ATOM 1548 O VAL A 102 -2.566 19.980 1.172 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.018 21.953 1.567 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.326 22.528 1.197 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -1.011 23.072 1.869 1.00 0.00 C ATOM 0 H VAL A 102 -2.124 22.151 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 102 0.322 20.598 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 102 0.102 21.354 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.673 23.184 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.042 21.718 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.236 23.098 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.609 23.714 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.180 23.662 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.955 22.641 2.202 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.624 18.928 1.530 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.167 17.792 2.163 1.00 0.00 C ATOM 1563 C TYR A 103 -1.531 18.131 3.596 1.00 0.00 C ATOM 1564 O TYR A 103 -0.675 18.387 4.448 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.184 16.611 2.034 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.333 15.513 3.056 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.548 14.992 3.383 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.766 15.021 3.697 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.676 14.027 4.336 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.657 14.041 4.642 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.560 13.553 4.966 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.670 12.598 5.955 1.00 0.00 O ATOM 0 H TYR A 103 0.392 18.899 1.448 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.091 17.481 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.299 16.175 1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.832 17.001 2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.430 15.352 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.742 15.414 3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.651 13.640 4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.541 13.657 5.129 1.00 0.00 H new ATOM 0 HH TYR A 103 0.223 12.276 6.199 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.800 18.167 3.820 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.377 18.473 5.084 1.00 0.00 C ATOM 1584 C LYS A 104 -4.248 17.290 5.570 1.00 0.00 C ATOM 1585 O LYS A 104 -5.429 17.235 5.308 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.166 19.776 4.950 1.00 0.00 C ATOM 1587 CG LYS A 104 -5.131 19.787 3.773 1.00 0.00 C ATOM 1588 CD LYS A 104 -5.794 21.122 3.605 1.00 0.00 C ATOM 1589 CE LYS A 104 -4.830 22.154 3.038 1.00 0.00 C ATOM 1590 NZ LYS A 104 -5.494 23.438 2.773 1.00 0.00 N ATOM 0 H LYS A 104 -3.493 17.976 3.096 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.607 18.619 5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.726 19.948 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.466 20.605 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.593 19.532 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.891 19.020 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -6.653 21.022 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.172 21.466 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.009 22.308 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.393 21.774 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.803 24.113 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.261 23.297 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.889 23.814 3.659 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.640 16.310 6.266 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.326 15.052 6.682 1.00 0.00 C ATOM 1606 C PRO A 105 -5.492 15.289 7.628 1.00 0.00 C ATOM 1607 O PRO A 105 -6.418 14.490 7.702 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.245 14.239 7.363 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.175 15.214 7.690 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.246 16.334 6.702 1.00 0.00 C ATOM 0 HA PRO A 105 -4.767 14.550 5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.624 13.754 8.262 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.873 13.451 6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.303 15.593 8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.198 14.733 7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.983 17.289 7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.561 16.179 5.868 1.00 0.00 H new ATOM 1618 N LYS A 106 -5.426 16.370 8.375 1.00 0.00 N ATOM 1619 CA LYS A 106 -6.548 16.797 9.210 1.00 0.00 C ATOM 1620 C LYS A 106 -7.801 17.111 8.354 1.00 0.00 C ATOM 1621 O LYS A 106 -8.919 17.169 8.863 1.00 0.00 O ATOM 1622 CB LYS A 106 -6.183 18.020 10.090 1.00 0.00 C ATOM 1623 CG LYS A 106 -5.811 19.316 9.347 1.00 0.00 C ATOM 1624 CD LYS A 106 -4.344 19.396 8.893 1.00 0.00 C ATOM 1625 CE LYS A 106 -3.381 19.461 10.084 1.00 0.00 C ATOM 1626 NZ LYS A 106 -1.990 19.752 9.657 1.00 0.00 N ATOM 0 H LYS A 106 -4.608 16.977 8.427 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.779 15.963 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.028 18.233 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.346 17.742 10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.454 19.415 8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.023 20.165 9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.106 18.527 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.205 20.276 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.716 20.231 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.405 18.513 10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.371 19.787 10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.661 19.004 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.962 20.668 9.166 1.00 0.00 H new ATOM 1640 N GLU A 107 -7.582 17.289 7.067 1.00 0.00 N ATOM 1641 CA GLU A 107 -8.601 17.587 6.095 1.00 0.00 C ATOM 1642 C GLU A 107 -8.555 16.528 4.994 1.00 0.00 C ATOM 1643 O GLU A 107 -8.865 16.799 3.837 1.00 0.00 O ATOM 1644 CB GLU A 107 -8.350 18.968 5.491 1.00 0.00 C ATOM 1645 CG GLU A 107 -8.557 20.134 6.438 1.00 0.00 C ATOM 1646 CD GLU A 107 -9.981 20.248 6.899 1.00 0.00 C ATOM 1647 OE1 GLU A 107 -10.894 20.303 6.039 1.00 0.00 O ATOM 1648 OE2 GLU A 107 -10.231 20.320 8.113 1.00 0.00 O ATOM 0 H GLU A 107 -6.649 17.226 6.658 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.581 17.583 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.327 19.002 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.009 19.097 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.906 20.016 7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.263 21.059 5.942 1.00 0.00 H new ATOM 1655 N ASP A 108 -8.184 15.310 5.377 1.00 0.00 N ATOM 1656 CA ASP A 108 -8.128 14.156 4.487 1.00 0.00 C ATOM 1657 C ASP A 108 -9.555 13.769 4.021 1.00 0.00 C ATOM 1658 O ASP A 108 -10.512 14.500 4.269 1.00 0.00 O ATOM 1659 CB ASP A 108 -7.285 13.023 5.196 1.00 0.00 C ATOM 1660 CG ASP A 108 -7.733 11.579 5.057 1.00 0.00 C ATOM 1661 OD1 ASP A 108 -7.742 11.046 3.954 1.00 0.00 O ATOM 1662 OD2 ASP A 108 -8.058 10.958 6.083 1.00 0.00 O ATOM 0 H ASP A 108 -7.908 15.094 6.335 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.605 14.371 3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.264 13.089 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.249 13.256 6.260 1.00 0.00 H new ATOM 1667 N THR A 109 -9.704 12.713 3.312 1.00 0.00 N ATOM 1668 CA THR A 109 -10.986 12.344 2.770 1.00 0.00 C ATOM 1669 C THR A 109 -11.833 11.708 3.868 1.00 0.00 C ATOM 1670 O THR A 109 -13.063 11.653 3.788 1.00 0.00 O ATOM 1671 CB THR A 109 -10.793 11.365 1.579 1.00 0.00 C ATOM 1672 OG1 THR A 109 -12.052 11.038 0.972 1.00 0.00 O ATOM 1673 CG2 THR A 109 -10.101 10.097 2.050 1.00 0.00 C ATOM 0 H THR A 109 -8.947 12.069 3.082 1.00 0.00 H new ATOM 0 HA THR A 109 -11.501 13.231 2.400 1.00 0.00 H new ATOM 0 HB THR A 109 -10.170 11.858 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.904 10.422 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.971 9.419 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.126 10.348 2.467 1.00 0.00 H new ATOM 0 HG23 THR A 109 -10.709 9.613 2.815 1.00 0.00 H new TER 1681 THR A 109