USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1126 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 12 ASN : amide:sc= 0.0328 K(o=1.8,f=-3.5!) USER MOD Set 1.2: A 34 SER OG : rot 120:sc= 1.46 USER MOD Set 1.3: A 63 HIS : no HD1:sc= 0.345 K(o=1.8,f=-1.3) USER MOD Set 2.1: A 9 CYS SG : rot -110:sc= 0.6 USER MOD Set 2.2: A 16 SER OG : rot -26:sc= 1.28 USER MOD Single : A 3 ASN : amide:sc= 0.549 K(o=0.55,f=-0.061) USER MOD Single : A 4 ASN : amide:sc= 0.101 K(o=0.1,f=-1.7!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0309 USER MOD Single : A 18 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.5) USER MOD Single : A 26 TYR OH : rot 180:sc= 0.525 USER MOD Single : A 27 HIS : no HE2:sc= -0.0812 K(o=-0.081,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0.751) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.906 USER MOD Single : A 51 SER OG : rot 63:sc= 1.08 USER MOD Single : A 56 HIS : no HD1:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 57 GLN : amide:sc= 0.0646 K(o=0.065,f=-0.51) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 5:sc= 0.0202 USER MOD Single : A 67 GLN : amide:sc= 1.04 K(o=1,f=-0.4) USER MOD Single : A 69 SER OG : rot 180:sc= 0.394 USER MOD Single : A 73 CYS SG : rot 64:sc= 0.445 USER MOD Single : A 75 ASN : amide:sc= 0.888 K(o=0.89,f=-0.014) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -48:sc= 0.392 USER MOD Single : A 82 MET CE :methyl 168:sc= -0.137 (180deg=-0.255) USER MOD Single : A 84 LYS NZ :NH3+ 148:sc= 2.25 (180deg=0.376) USER MOD Single : A 86 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-4.6!) USER MOD Single : A 91 CYS SG : rot 74:sc= 0.452 USER MOD Single : A 93 MET CE :methyl -179:sc= -0.514 (180deg=-0.523) USER MOD Single : A 97 MET CE :methyl -178:sc= 0 (180deg=-0.0045) USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.21) USER MOD Single : A 102 MET CE :methyl 173:sc= 0 (180deg=-0.0518) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.44) USER MOD Single : A 111 CYS SG : rot -58:sc= 0.74 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0.00108 USER MOD Single : A 123 THR OG1 : rot 120:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 134 SER OG : rot 70:sc= 1.19 USER MOD Single : A 137 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 140 GLN : amide:sc= 0.708 K(o=0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -4.857 7.863 -12.742 1.00 0.00 N ATOM 19 CA PHE A 2 -5.142 6.605 -12.059 1.00 0.00 C ATOM 20 C PHE A 2 -6.074 6.845 -10.863 1.00 0.00 C ATOM 21 O PHE A 2 -5.650 6.808 -9.711 1.00 0.00 O ATOM 22 CB PHE A 2 -3.827 5.894 -11.677 1.00 0.00 C ATOM 23 CG PHE A 2 -2.679 6.771 -11.196 1.00 0.00 C ATOM 24 CD1 PHE A 2 -1.763 7.301 -12.127 1.00 0.00 C ATOM 25 CD2 PHE A 2 -2.494 7.025 -9.824 1.00 0.00 C ATOM 26 CE1 PHE A 2 -0.691 8.101 -11.690 1.00 0.00 C ATOM 27 CE2 PHE A 2 -1.418 7.818 -9.387 1.00 0.00 C ATOM 28 CZ PHE A 2 -0.521 8.363 -10.321 1.00 0.00 C ATOM 0 HA PHE A 2 -5.673 5.933 -12.733 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.050 5.169 -10.894 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.482 5.331 -12.544 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.884 7.092 -13.180 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.182 6.609 -9.103 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.002 8.514 -12.408 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -1.281 8.008 -8.333 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.298 8.982 -9.987 1.00 0.00 H new ATOM 38 N ASN A 3 -7.357 7.124 -11.122 1.00 0.00 N ATOM 39 CA ASN A 3 -8.351 7.323 -10.061 1.00 0.00 C ATOM 40 C ASN A 3 -8.551 6.067 -9.197 1.00 0.00 C ATOM 41 O ASN A 3 -8.975 6.192 -8.048 1.00 0.00 O ATOM 42 CB ASN A 3 -9.694 7.783 -10.650 1.00 0.00 C ATOM 43 CG ASN A 3 -10.711 8.089 -9.547 1.00 0.00 C ATOM 44 OD1 ASN A 3 -11.611 7.300 -9.276 1.00 0.00 O ATOM 45 ND2 ASN A 3 -10.587 9.234 -8.893 1.00 0.00 N ATOM 0 H ASN A 3 -7.733 7.218 -12.065 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.960 8.105 -9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.540 8.672 -11.262 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.089 7.009 -11.307 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.246 9.471 -8.151 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.833 9.878 -9.131 1.00 0.00 H new ATOM 52 N ASN A 4 -8.235 4.878 -9.730 1.00 0.00 N ATOM 53 CA ASN A 4 -8.432 3.603 -9.044 1.00 0.00 C ATOM 54 C ASN A 4 -7.057 2.973 -8.811 1.00 0.00 C ATOM 55 O ASN A 4 -6.305 2.800 -9.775 1.00 0.00 O ATOM 56 CB ASN A 4 -9.346 2.704 -9.896 1.00 0.00 C ATOM 57 CG ASN A 4 -9.814 1.482 -9.118 1.00 0.00 C ATOM 58 OD1 ASN A 4 -10.005 1.546 -7.910 1.00 0.00 O ATOM 59 ND2 ASN A 4 -10.012 0.346 -9.759 1.00 0.00 N ATOM 0 H ASN A 4 -7.831 4.779 -10.661 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.919 3.740 -8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.211 3.277 -10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.811 2.384 -10.790 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.324 -0.480 -9.248 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.853 0.294 -10.765 1.00 0.00 H new ATOM 66 N ILE A 5 -6.737 2.633 -7.557 1.00 0.00 N ATOM 67 CA ILE A 5 -5.386 2.251 -7.128 1.00 0.00 C ATOM 68 C ILE A 5 -5.466 1.010 -6.219 1.00 0.00 C ATOM 69 O ILE A 5 -6.481 0.787 -5.553 1.00 0.00 O ATOM 70 CB ILE A 5 -4.770 3.471 -6.372 1.00 0.00 C ATOM 71 CG1 ILE A 5 -4.749 4.750 -7.250 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.360 3.214 -5.800 1.00 0.00 C ATOM 73 CD1 ILE A 5 -4.280 6.021 -6.531 1.00 0.00 C ATOM 0 H ILE A 5 -7.420 2.615 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.756 1.994 -7.980 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.436 3.625 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.098 4.574 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.752 4.921 -7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.005 4.110 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.400 2.386 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.678 2.964 -6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.300 6.860 -7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.943 6.230 -5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.264 5.877 -6.164 1.00 0.00 H new ATOM 85 N LEU A 6 -4.375 0.240 -6.132 1.00 0.00 N ATOM 86 CA LEU A 6 -4.252 -0.892 -5.207 1.00 0.00 C ATOM 87 C LEU A 6 -2.899 -0.828 -4.505 1.00 0.00 C ATOM 88 O LEU A 6 -1.909 -0.466 -5.141 1.00 0.00 O ATOM 89 CB LEU A 6 -4.354 -2.201 -6.010 1.00 0.00 C ATOM 90 CG LEU A 6 -4.271 -3.511 -5.200 1.00 0.00 C ATOM 91 CD1 LEU A 6 -5.506 -3.687 -4.319 1.00 0.00 C ATOM 92 CD2 LEU A 6 -4.139 -4.720 -6.134 1.00 0.00 C ATOM 0 H LEU A 6 -3.545 0.387 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.046 -0.852 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.298 -2.195 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.557 -2.208 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.387 -3.449 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.423 -4.618 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.580 -2.850 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.398 -3.719 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.082 -5.633 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.007 -4.768 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.234 -4.620 -6.734 1.00 0.00 H new ATOM 104 N VAL A 7 -2.839 -1.250 -3.241 1.00 0.00 N ATOM 105 CA VAL A 7 -1.582 -1.444 -2.521 1.00 0.00 C ATOM 106 C VAL A 7 -1.467 -2.934 -2.177 1.00 0.00 C ATOM 107 O VAL A 7 -2.466 -3.563 -1.820 1.00 0.00 O ATOM 108 CB VAL A 7 -1.520 -0.543 -1.268 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.106 -0.581 -0.670 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.887 0.925 -1.560 1.00 0.00 C ATOM 0 H VAL A 7 -3.667 -1.468 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.733 -1.153 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.256 -0.938 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.067 0.056 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.143 -1.605 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.611 -0.222 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.824 1.506 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.194 1.334 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.903 0.975 -1.952 1.00 0.00 H new ATOM 120 N VAL A 8 -0.255 -3.483 -2.290 1.00 0.00 N ATOM 121 CA VAL A 8 -0.016 -4.920 -2.212 1.00 0.00 C ATOM 122 C VAL A 8 1.188 -5.166 -1.294 1.00 0.00 C ATOM 123 O VAL A 8 2.246 -4.565 -1.497 1.00 0.00 O ATOM 124 CB VAL A 8 0.242 -5.454 -3.640 1.00 0.00 C ATOM 125 CG1 VAL A 8 0.381 -6.983 -3.664 1.00 0.00 C ATOM 126 CG2 VAL A 8 -0.864 -5.068 -4.637 1.00 0.00 C ATOM 0 H VAL A 8 0.593 -2.935 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.878 -5.444 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 8 1.177 -4.984 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.561 -7.316 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.217 -7.282 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.537 -7.438 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.625 -5.472 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.817 -5.476 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.935 -3.982 -4.699 1.00 0.00 H new ATOM 136 N CYS A 9 1.045 -6.066 -0.313 1.00 0.00 N ATOM 137 CA CYS A 9 2.112 -6.409 0.636 1.00 0.00 C ATOM 138 C CYS A 9 2.110 -7.921 0.910 1.00 0.00 C ATOM 139 O CYS A 9 1.267 -8.650 0.385 1.00 0.00 O ATOM 140 CB CYS A 9 1.929 -5.631 1.953 1.00 0.00 C ATOM 141 SG CYS A 9 1.825 -3.842 1.669 1.00 0.00 S ATOM 0 H CYS A 9 0.179 -6.581 -0.154 1.00 0.00 H new ATOM 0 HA CYS A 9 3.071 -6.131 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.024 -5.973 2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.763 -5.845 2.621 1.00 0.00 H new ATOM 0 HG CYS A 9 2.895 -3.266 2.131 1.00 0.00 H new ATOM 147 N VAL A 10 3.056 -8.410 1.716 1.00 0.00 N ATOM 148 CA VAL A 10 2.981 -9.783 2.216 1.00 0.00 C ATOM 149 C VAL A 10 2.047 -9.741 3.440 1.00 0.00 C ATOM 150 O VAL A 10 1.989 -8.721 4.132 1.00 0.00 O ATOM 151 CB VAL A 10 4.403 -10.319 2.509 1.00 0.00 C ATOM 152 CG1 VAL A 10 5.230 -9.447 3.467 1.00 0.00 C ATOM 153 CG2 VAL A 10 4.381 -11.768 3.016 1.00 0.00 C ATOM 0 H VAL A 10 3.871 -7.884 2.032 1.00 0.00 H new ATOM 0 HA VAL A 10 2.570 -10.484 1.489 1.00 0.00 H new ATOM 0 HB VAL A 10 4.903 -10.281 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.211 -9.898 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.349 -8.451 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.717 -9.372 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.401 -12.102 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.802 -11.822 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.925 -12.410 2.262 1.00 0.00 H new ATOM 163 N GLY A 11 1.275 -10.804 3.696 1.00 0.00 N ATOM 164 CA GLY A 11 0.365 -10.883 4.844 1.00 0.00 C ATOM 165 C GLY A 11 -0.913 -10.055 4.675 1.00 0.00 C ATOM 166 O GLY A 11 -1.972 -10.486 5.131 1.00 0.00 O ATOM 0 H GLY A 11 1.264 -11.638 3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.093 -11.925 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.891 -10.545 5.737 1.00 0.00 H new ATOM 170 N ASN A 12 -0.825 -8.913 3.979 1.00 0.00 N ATOM 171 CA ASN A 12 -1.934 -8.014 3.624 1.00 0.00 C ATOM 172 C ASN A 12 -2.521 -7.241 4.804 1.00 0.00 C ATOM 173 O ASN A 12 -2.688 -6.032 4.679 1.00 0.00 O ATOM 174 CB ASN A 12 -3.036 -8.755 2.844 1.00 0.00 C ATOM 175 CG ASN A 12 -4.183 -7.902 2.307 1.00 0.00 C ATOM 176 OD1 ASN A 12 -5.125 -8.456 1.763 1.00 0.00 O ATOM 177 ND2 ASN A 12 -4.168 -6.585 2.387 1.00 0.00 N ATOM 0 H ASN A 12 0.070 -8.572 3.629 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.490 -7.261 2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.571 -9.270 2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.457 -9.522 3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.938 -6.042 1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.387 -6.110 2.839 1.00 0.00 H new ATOM 184 N ILE A 13 -2.805 -7.897 5.926 1.00 0.00 N ATOM 185 CA ILE A 13 -3.561 -7.375 7.070 1.00 0.00 C ATOM 186 C ILE A 13 -3.036 -6.076 7.709 1.00 0.00 C ATOM 187 O ILE A 13 -3.726 -5.525 8.564 1.00 0.00 O ATOM 188 CB ILE A 13 -3.690 -8.491 8.139 1.00 0.00 C ATOM 189 CG1 ILE A 13 -2.307 -8.993 8.624 1.00 0.00 C ATOM 190 CG2 ILE A 13 -4.557 -9.648 7.609 1.00 0.00 C ATOM 191 CD1 ILE A 13 -2.370 -9.905 9.856 1.00 0.00 C ATOM 0 H ILE A 13 -2.499 -8.859 6.073 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.530 -7.084 6.663 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.188 -8.062 9.008 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.822 -9.532 7.810 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.680 -8.132 8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.637 -10.422 8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.552 -9.275 7.365 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.097 -10.067 6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.362 -10.213 10.132 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.824 -9.364 10.686 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.969 -10.786 9.626 1.00 0.00 H new ATOM 203 N CYS A 14 -1.854 -5.570 7.349 1.00 0.00 N ATOM 204 CA CYS A 14 -1.209 -4.476 8.074 1.00 0.00 C ATOM 205 C CYS A 14 -0.825 -3.321 7.154 1.00 0.00 C ATOM 206 O CYS A 14 -1.435 -2.252 7.223 1.00 0.00 O ATOM 207 CB CYS A 14 -0.014 -5.029 8.877 1.00 0.00 C ATOM 208 SG CYS A 14 1.048 -6.123 7.877 1.00 0.00 S ATOM 0 H CYS A 14 -1.319 -5.907 6.548 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.923 -4.050 8.779 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.580 -4.198 9.257 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.384 -5.578 9.743 1.00 0.00 H new ATOM 0 HG CYS A 14 2.035 -6.554 8.605 1.00 0.00 H new ATOM 214 N ARG A 15 0.175 -3.495 6.286 1.00 0.00 N ATOM 215 CA ARG A 15 0.730 -2.372 5.536 1.00 0.00 C ATOM 216 C ARG A 15 -0.223 -1.907 4.444 1.00 0.00 C ATOM 217 O ARG A 15 -0.450 -0.700 4.344 1.00 0.00 O ATOM 218 CB ARG A 15 2.112 -2.731 4.971 1.00 0.00 C ATOM 219 CG ARG A 15 3.186 -2.729 6.068 1.00 0.00 C ATOM 220 CD ARG A 15 4.602 -2.797 5.485 1.00 0.00 C ATOM 221 NE ARG A 15 4.900 -4.090 4.842 1.00 0.00 N ATOM 222 CZ ARG A 15 5.922 -4.326 4.011 1.00 0.00 C ATOM 223 NH1 ARG A 15 6.739 -3.351 3.636 1.00 0.00 N ATOM 224 NH2 ARG A 15 6.133 -5.563 3.597 1.00 0.00 N ATOM 0 H ARG A 15 0.612 -4.395 6.088 1.00 0.00 H new ATOM 0 HA ARG A 15 0.858 -1.535 6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.071 -3.714 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.384 -2.018 4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.086 -1.827 6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.027 -3.578 6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.727 -1.997 4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.325 -2.618 6.281 1.00 0.00 H new ATOM 0 HE ARG A 15 4.275 -4.869 5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.594 -2.402 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.513 -3.550 3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.522 -6.317 3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.907 -5.764 2.963 1.00 0.00 H new ATOM 238 N SER A 16 -0.816 -2.822 3.670 1.00 0.00 N ATOM 239 CA SER A 16 -1.731 -2.448 2.598 1.00 0.00 C ATOM 240 C SER A 16 -2.880 -1.555 3.099 1.00 0.00 C ATOM 241 O SER A 16 -3.035 -0.470 2.540 1.00 0.00 O ATOM 242 CB SER A 16 -2.242 -3.685 1.850 1.00 0.00 C ATOM 243 OG SER A 16 -1.225 -4.650 1.662 1.00 0.00 O ATOM 0 H SER A 16 -0.675 -3.827 3.770 1.00 0.00 H new ATOM 0 HA SER A 16 -1.168 -1.846 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.066 -4.131 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.639 -3.384 0.881 1.00 0.00 H new ATOM 0 HG SER A 16 -0.350 -4.208 1.662 1.00 0.00 H new ATOM 249 N PRO A 17 -3.661 -1.916 4.145 1.00 0.00 N ATOM 250 CA PRO A 17 -4.731 -1.049 4.619 1.00 0.00 C ATOM 251 C PRO A 17 -4.211 0.246 5.238 1.00 0.00 C ATOM 252 O PRO A 17 -4.899 1.258 5.140 1.00 0.00 O ATOM 253 CB PRO A 17 -5.543 -1.860 5.629 1.00 0.00 C ATOM 254 CG PRO A 17 -4.579 -2.942 6.101 1.00 0.00 C ATOM 255 CD PRO A 17 -3.704 -3.179 4.872 1.00 0.00 C ATOM 0 HA PRO A 17 -5.349 -0.734 3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.882 -1.239 6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.432 -2.292 5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.991 -2.613 6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.105 -3.848 6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.702 -3.493 5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.117 -3.972 4.248 1.00 0.00 H new ATOM 263 N THR A 18 -3.022 0.253 5.848 1.00 0.00 N ATOM 264 CA THR A 18 -2.470 1.472 6.426 1.00 0.00 C ATOM 265 C THR A 18 -2.188 2.489 5.312 1.00 0.00 C ATOM 266 O THR A 18 -2.659 3.625 5.389 1.00 0.00 O ATOM 267 CB THR A 18 -1.235 1.125 7.275 1.00 0.00 C ATOM 268 OG1 THR A 18 -1.588 0.210 8.292 1.00 0.00 O ATOM 269 CG2 THR A 18 -0.639 2.355 7.962 1.00 0.00 C ATOM 0 H THR A 18 -2.429 -0.570 5.952 1.00 0.00 H new ATOM 0 HA THR A 18 -3.187 1.943 7.099 1.00 0.00 H new ATOM 0 HB THR A 18 -0.500 0.701 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.779 -0.665 7.893 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.230 2.058 8.549 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.337 3.082 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.385 2.802 8.619 1.00 0.00 H new ATOM 277 N ALA A 19 -1.482 2.083 4.249 1.00 0.00 N ATOM 278 CA ALA A 19 -1.195 2.967 3.123 1.00 0.00 C ATOM 279 C ALA A 19 -2.485 3.373 2.420 1.00 0.00 C ATOM 280 O ALA A 19 -2.671 4.546 2.112 1.00 0.00 O ATOM 281 CB ALA A 19 -0.273 2.267 2.127 1.00 0.00 C ATOM 0 H ALA A 19 -1.100 1.143 4.150 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.703 3.861 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.066 2.935 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.662 2.002 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.756 1.363 1.757 1.00 0.00 H new ATOM 287 N GLU A 20 -3.376 2.411 2.178 1.00 0.00 N ATOM 288 CA GLU A 20 -4.643 2.661 1.511 1.00 0.00 C ATOM 289 C GLU A 20 -5.456 3.711 2.273 1.00 0.00 C ATOM 290 O GLU A 20 -5.877 4.703 1.681 1.00 0.00 O ATOM 291 CB GLU A 20 -5.368 1.319 1.372 1.00 0.00 C ATOM 292 CG GLU A 20 -6.795 1.415 0.825 1.00 0.00 C ATOM 293 CD GLU A 20 -7.830 1.012 1.880 1.00 0.00 C ATOM 294 OE1 GLU A 20 -8.024 -0.211 2.078 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.431 1.913 2.511 1.00 0.00 O ATOM 0 H GLU A 20 -3.234 1.436 2.442 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.490 3.078 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.785 0.673 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.400 0.836 2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.991 2.435 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.895 0.771 -0.049 1.00 0.00 H new ATOM 302 N ARG A 21 -5.622 3.555 3.588 1.00 0.00 N ATOM 303 CA ARG A 21 -6.389 4.501 4.387 1.00 0.00 C ATOM 304 C ARG A 21 -5.702 5.862 4.450 1.00 0.00 C ATOM 305 O ARG A 21 -6.394 6.878 4.402 1.00 0.00 O ATOM 306 CB ARG A 21 -6.600 3.931 5.793 1.00 0.00 C ATOM 307 CG ARG A 21 -7.650 2.818 5.868 1.00 0.00 C ATOM 308 CD ARG A 21 -9.074 3.373 5.740 1.00 0.00 C ATOM 309 NE ARG A 21 -10.062 2.402 6.239 1.00 0.00 N ATOM 310 CZ ARG A 21 -10.660 1.417 5.557 1.00 0.00 C ATOM 311 NH1 ARG A 21 -10.369 1.174 4.282 1.00 0.00 N ATOM 312 NH2 ARG A 21 -11.570 0.659 6.160 1.00 0.00 N ATOM 0 H ARG A 21 -5.232 2.777 4.120 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.359 4.651 3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.650 3.545 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.896 4.740 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.469 2.093 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.550 2.286 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.158 4.304 6.301 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.284 3.609 4.697 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.322 2.490 7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.675 1.745 3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.840 0.417 3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.809 0.829 7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.029 -0.093 5.646 1.00 0.00 H new ATOM 326 N LEU A 22 -4.368 5.914 4.524 1.00 0.00 N ATOM 327 CA LEU A 22 -3.637 7.178 4.465 1.00 0.00 C ATOM 328 C LEU A 22 -3.934 7.888 3.142 1.00 0.00 C ATOM 329 O LEU A 22 -4.248 9.076 3.142 1.00 0.00 O ATOM 330 CB LEU A 22 -2.124 6.937 4.614 1.00 0.00 C ATOM 331 CG LEU A 22 -1.655 6.731 6.067 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.276 6.060 6.072 1.00 0.00 C ATOM 333 CD2 LEU A 22 -1.572 8.071 6.809 1.00 0.00 C ATOM 0 H LEU A 22 -3.774 5.091 4.625 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.964 7.811 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.848 6.060 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.589 7.786 4.189 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.379 6.095 6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.054 5.915 7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.340 5.094 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.439 6.694 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.239 7.900 7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.863 8.725 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.555 8.542 6.821 1.00 0.00 H new ATOM 345 N LEU A 23 -3.879 7.171 2.017 1.00 0.00 N ATOM 346 CA LEU A 23 -4.161 7.731 0.697 1.00 0.00 C ATOM 347 C LEU A 23 -5.615 8.201 0.613 1.00 0.00 C ATOM 348 O LEU A 23 -5.862 9.287 0.089 1.00 0.00 O ATOM 349 CB LEU A 23 -3.870 6.696 -0.403 1.00 0.00 C ATOM 350 CG LEU A 23 -2.373 6.394 -0.600 1.00 0.00 C ATOM 351 CD1 LEU A 23 -2.212 5.039 -1.299 1.00 0.00 C ATOM 352 CD2 LEU A 23 -1.679 7.500 -1.407 1.00 0.00 C ATOM 0 H LEU A 23 -3.636 6.181 1.998 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.509 8.591 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.388 5.768 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.284 7.056 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.897 6.356 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.152 4.825 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.662 4.258 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.707 5.069 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.624 7.255 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.147 7.582 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.773 8.449 -0.879 1.00 0.00 H new ATOM 364 N GLN A 24 -6.565 7.432 1.161 1.00 0.00 N ATOM 365 CA GLN A 24 -7.962 7.849 1.243 1.00 0.00 C ATOM 366 C GLN A 24 -8.088 9.156 2.035 1.00 0.00 C ATOM 367 O GLN A 24 -8.811 10.051 1.603 1.00 0.00 O ATOM 368 CB GLN A 24 -8.831 6.754 1.892 1.00 0.00 C ATOM 369 CG GLN A 24 -9.109 5.523 1.008 1.00 0.00 C ATOM 370 CD GLN A 24 -9.875 5.842 -0.276 1.00 0.00 C ATOM 371 OE1 GLN A 24 -9.541 5.356 -1.350 1.00 0.00 O ATOM 372 NE2 GLN A 24 -10.916 6.657 -0.208 1.00 0.00 N ATOM 0 H GLN A 24 -6.384 6.509 1.556 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.320 8.015 0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.342 6.420 2.807 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.785 7.195 2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.160 5.054 0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.676 4.794 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.191 7.060 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.443 6.882 -1.052 1.00 0.00 H new ATOM 381 N ARG A 25 -7.391 9.301 3.171 1.00 0.00 N ATOM 382 CA ARG A 25 -7.426 10.533 3.954 1.00 0.00 C ATOM 383 C ARG A 25 -6.870 11.705 3.145 1.00 0.00 C ATOM 384 O ARG A 25 -7.481 12.774 3.145 1.00 0.00 O ATOM 385 CB ARG A 25 -6.699 10.335 5.298 1.00 0.00 C ATOM 386 CG ARG A 25 -6.584 11.645 6.102 1.00 0.00 C ATOM 387 CD ARG A 25 -6.223 11.404 7.572 1.00 0.00 C ATOM 388 NE ARG A 25 -7.381 10.896 8.329 1.00 0.00 N ATOM 389 CZ ARG A 25 -7.373 10.467 9.597 1.00 0.00 C ATOM 390 NH1 ARG A 25 -6.251 10.471 10.313 1.00 0.00 N ATOM 391 NH2 ARG A 25 -8.504 10.017 10.126 1.00 0.00 N ATOM 0 H ARG A 25 -6.795 8.573 3.565 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.462 10.781 4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.234 9.593 5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.701 9.936 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.827 12.282 5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.529 12.185 6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.402 10.690 7.635 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.872 12.334 8.020 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.275 10.869 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.381 10.804 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.261 10.141 11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.358 10.003 9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.519 9.686 11.091 1.00 0.00 H new ATOM 405 N TYR A 26 -5.735 11.524 2.462 1.00 0.00 N ATOM 406 CA TYR A 26 -5.130 12.595 1.679 1.00 0.00 C ATOM 407 C TYR A 26 -6.016 12.999 0.492 1.00 0.00 C ATOM 408 O TYR A 26 -6.155 14.196 0.235 1.00 0.00 O ATOM 409 CB TYR A 26 -3.716 12.209 1.216 1.00 0.00 C ATOM 410 CG TYR A 26 -2.643 12.398 2.277 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.339 13.696 2.731 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.933 11.298 2.800 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.363 13.895 3.723 1.00 0.00 C ATOM 414 CE2 TYR A 26 -0.959 11.486 3.799 1.00 0.00 C ATOM 415 CZ TYR A 26 -0.678 12.789 4.275 1.00 0.00 C ATOM 416 OH TYR A 26 0.243 12.995 5.259 1.00 0.00 O ATOM 0 H TYR A 26 -5.220 10.644 2.439 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.043 13.467 2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.721 11.166 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.456 12.805 0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.860 14.545 2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.138 10.304 2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.136 14.894 4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.427 10.637 4.202 1.00 0.00 H new ATOM 0 HH TYR A 26 0.625 12.136 5.534 1.00 0.00 H new ATOM 426 N HIS A 27 -6.632 12.038 -0.208 1.00 0.00 N ATOM 427 CA HIS A 27 -7.412 12.280 -1.420 1.00 0.00 C ATOM 428 C HIS A 27 -8.631 11.339 -1.455 1.00 0.00 C ATOM 429 O HIS A 27 -8.579 10.287 -2.097 1.00 0.00 O ATOM 430 CB HIS A 27 -6.528 12.117 -2.669 1.00 0.00 C ATOM 431 CG HIS A 27 -5.430 13.143 -2.794 1.00 0.00 C ATOM 432 ND1 HIS A 27 -5.569 14.436 -3.251 1.00 0.00 N ATOM 433 CD2 HIS A 27 -4.111 12.967 -2.473 1.00 0.00 C ATOM 434 CE1 HIS A 27 -4.364 15.027 -3.193 1.00 0.00 C ATOM 435 NE2 HIS A 27 -3.441 14.171 -2.722 1.00 0.00 N ATOM 0 H HIS A 27 -6.599 11.054 0.060 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.780 13.306 -1.414 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.080 11.123 -2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.160 12.169 -3.556 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -6.434 14.868 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.665 12.059 -2.094 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.165 16.048 -3.484 1.00 0.00 H new ATOM 443 N PRO A 28 -9.749 11.696 -0.795 1.00 0.00 N ATOM 444 CA PRO A 28 -10.937 10.843 -0.735 1.00 0.00 C ATOM 445 C PRO A 28 -11.672 10.736 -2.082 1.00 0.00 C ATOM 446 O PRO A 28 -12.535 9.871 -2.238 1.00 0.00 O ATOM 447 CB PRO A 28 -11.821 11.454 0.358 1.00 0.00 C ATOM 448 CG PRO A 28 -11.429 12.929 0.357 1.00 0.00 C ATOM 449 CD PRO A 28 -9.941 12.893 0.014 1.00 0.00 C ATOM 0 HA PRO A 28 -10.663 9.813 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.880 11.321 0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.637 10.991 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.998 13.497 -0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.608 13.394 1.326 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.644 13.787 -0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.332 12.856 0.917 1.00 0.00 H new ATOM 457 N GLU A 29 -11.333 11.587 -3.060 1.00 0.00 N ATOM 458 CA GLU A 29 -11.874 11.505 -4.417 1.00 0.00 C ATOM 459 C GLU A 29 -11.264 10.334 -5.213 1.00 0.00 C ATOM 460 O GLU A 29 -11.716 10.047 -6.325 1.00 0.00 O ATOM 461 CB GLU A 29 -11.617 12.834 -5.152 1.00 0.00 C ATOM 462 CG GLU A 29 -12.309 14.050 -4.512 1.00 0.00 C ATOM 463 CD GLU A 29 -13.846 13.932 -4.521 1.00 0.00 C ATOM 464 OE1 GLU A 29 -14.471 14.138 -5.586 1.00 0.00 O ATOM 465 OE2 GLU A 29 -14.449 13.658 -3.460 1.00 0.00 O ATOM 0 H GLU A 29 -10.673 12.353 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.946 11.322 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.543 13.017 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.956 12.738 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.963 14.161 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.015 14.953 -5.046 1.00 0.00 H new ATOM 472 N LEU A 30 -10.238 9.661 -4.677 1.00 0.00 N ATOM 473 CA LEU A 30 -9.632 8.487 -5.297 1.00 0.00 C ATOM 474 C LEU A 30 -10.259 7.235 -4.690 1.00 0.00 C ATOM 475 O LEU A 30 -10.830 7.276 -3.596 1.00 0.00 O ATOM 476 CB LEU A 30 -8.107 8.464 -5.076 1.00 0.00 C ATOM 477 CG LEU A 30 -7.359 9.729 -5.537 1.00 0.00 C ATOM 478 CD1 LEU A 30 -5.856 9.568 -5.292 1.00 0.00 C ATOM 479 CD2 LEU A 30 -7.588 10.054 -7.014 1.00 0.00 C ATOM 0 H LEU A 30 -9.804 9.923 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.814 8.521 -6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.912 8.312 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.693 7.604 -5.602 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.760 10.556 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.335 10.467 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.675 9.413 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.486 8.709 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.035 10.955 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.241 9.223 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.651 10.216 -7.190 1.00 0.00 H new ATOM 491 N LYS A 31 -10.100 6.111 -5.388 1.00 0.00 N ATOM 492 CA LYS A 31 -10.436 4.797 -4.865 1.00 0.00 C ATOM 493 C LYS A 31 -9.118 4.067 -4.696 1.00 0.00 C ATOM 494 O LYS A 31 -8.337 3.976 -5.645 1.00 0.00 O ATOM 495 CB LYS A 31 -11.377 4.076 -5.839 1.00 0.00 C ATOM 496 CG LYS A 31 -11.704 2.644 -5.379 1.00 0.00 C ATOM 497 CD LYS A 31 -12.834 2.051 -6.236 1.00 0.00 C ATOM 498 CE LYS A 31 -13.114 0.572 -5.934 1.00 0.00 C ATOM 499 NZ LYS A 31 -13.662 0.339 -4.573 1.00 0.00 N ATOM 0 H LYS A 31 -9.731 6.092 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.962 4.848 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.302 4.645 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.918 4.043 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.815 2.019 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.000 2.651 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.745 2.627 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.575 2.157 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.818 0.186 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.190 0.005 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.122 -0.593 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.889 0.369 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.359 1.078 -4.348 1.00 0.00 H new ATOM 513 N VAL A 32 -8.876 3.546 -3.503 1.00 0.00 N ATOM 514 CA VAL A 32 -7.668 2.815 -3.187 1.00 0.00 C ATOM 515 C VAL A 32 -8.119 1.562 -2.443 1.00 0.00 C ATOM 516 O VAL A 32 -8.994 1.635 -1.577 1.00 0.00 O ATOM 517 CB VAL A 32 -6.700 3.692 -2.361 1.00 0.00 C ATOM 518 CG1 VAL A 32 -5.332 3.001 -2.262 1.00 0.00 C ATOM 519 CG2 VAL A 32 -6.490 5.101 -2.949 1.00 0.00 C ATOM 0 H VAL A 32 -9.525 3.622 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.108 2.536 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.161 3.811 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.652 3.622 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.448 2.033 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.924 2.857 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.799 5.660 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.076 5.018 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.446 5.623 -2.992 1.00 0.00 H new ATOM 529 N GLU A 33 -7.529 0.418 -2.784 1.00 0.00 N ATOM 530 CA GLU A 33 -7.819 -0.854 -2.133 1.00 0.00 C ATOM 531 C GLU A 33 -6.517 -1.464 -1.599 1.00 0.00 C ATOM 532 O GLU A 33 -5.421 -0.958 -1.861 1.00 0.00 O ATOM 533 CB GLU A 33 -8.582 -1.779 -3.096 1.00 0.00 C ATOM 534 CG GLU A 33 -9.959 -1.235 -3.523 1.00 0.00 C ATOM 535 CD GLU A 33 -10.937 -0.930 -2.374 1.00 0.00 C ATOM 536 OE1 GLU A 33 -10.904 -1.630 -1.335 1.00 0.00 O ATOM 537 OE2 GLU A 33 -11.810 -0.053 -2.566 1.00 0.00 O ATOM 0 H GLU A 33 -6.832 0.349 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.473 -0.704 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.974 -1.942 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.717 -2.750 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.807 -0.322 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.425 -1.959 -4.191 1.00 0.00 H new ATOM 544 N SER A 34 -6.640 -2.567 -0.862 1.00 0.00 N ATOM 545 CA SER A 34 -5.549 -3.135 -0.084 1.00 0.00 C ATOM 546 C SER A 34 -5.556 -4.665 -0.188 1.00 0.00 C ATOM 547 O SER A 34 -6.492 -5.302 0.298 1.00 0.00 O ATOM 548 CB SER A 34 -5.758 -2.649 1.366 1.00 0.00 C ATOM 549 OG SER A 34 -7.132 -2.659 1.760 1.00 0.00 O ATOM 0 H SER A 34 -7.510 -3.094 -0.790 1.00 0.00 H new ATOM 0 HA SER A 34 -4.575 -2.815 -0.453 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.186 -3.283 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.363 -1.638 1.466 1.00 0.00 H new ATOM 0 HG SER A 34 -7.248 -3.259 2.526 1.00 0.00 H new ATOM 555 N ALA A 35 -4.513 -5.264 -0.768 1.00 0.00 N ATOM 556 CA ALA A 35 -4.434 -6.705 -1.023 1.00 0.00 C ATOM 557 C ALA A 35 -3.023 -7.207 -0.683 1.00 0.00 C ATOM 558 O ALA A 35 -2.196 -6.459 -0.146 1.00 0.00 O ATOM 559 CB ALA A 35 -4.784 -6.975 -2.495 1.00 0.00 C ATOM 0 H ALA A 35 -3.686 -4.754 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.145 -7.242 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.727 -8.046 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.795 -6.621 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.079 -6.450 -3.139 1.00 0.00 H new ATOM 565 N GLY A 36 -2.714 -8.465 -1.000 1.00 0.00 N ATOM 566 CA GLY A 36 -1.360 -8.980 -0.855 1.00 0.00 C ATOM 567 C GLY A 36 -1.064 -10.185 -1.730 1.00 0.00 C ATOM 568 O GLY A 36 -1.985 -10.840 -2.225 1.00 0.00 O ATOM 0 H GLY A 36 -3.386 -9.143 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.652 -8.186 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.194 -9.251 0.188 1.00 0.00 H new ATOM 572 N LEU A 37 0.232 -10.478 -1.906 1.00 0.00 N ATOM 573 CA LEU A 37 0.675 -11.659 -2.659 1.00 0.00 C ATOM 574 C LEU A 37 0.336 -12.930 -1.881 1.00 0.00 C ATOM 575 O LEU A 37 -0.089 -13.922 -2.469 1.00 0.00 O ATOM 576 CB LEU A 37 2.196 -11.661 -2.927 1.00 0.00 C ATOM 577 CG LEU A 37 2.798 -10.489 -3.724 1.00 0.00 C ATOM 578 CD1 LEU A 37 4.178 -10.899 -4.255 1.00 0.00 C ATOM 579 CD2 LEU A 37 1.946 -10.060 -4.917 1.00 0.00 C ATOM 0 H LEU A 37 0.994 -9.911 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 37 0.154 -11.626 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.703 -11.703 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.439 -12.583 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 37 2.854 -9.645 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.610 -10.074 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.831 -11.147 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.074 -11.769 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.431 -9.230 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.835 -10.898 -5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.963 -9.745 -4.567 1.00 0.00 H new ATOM 591 N GLY A 38 0.505 -12.870 -0.557 1.00 0.00 N ATOM 592 CA GLY A 38 0.236 -13.970 0.359 1.00 0.00 C ATOM 593 C GLY A 38 -0.702 -13.441 1.432 1.00 0.00 C ATOM 594 O GLY A 38 -0.347 -13.397 2.609 1.00 0.00 O ATOM 0 H GLY A 38 0.842 -12.031 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.218 -14.809 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.162 -14.336 0.803 1.00 0.00 H new ATOM 598 N ALA A 39 -1.848 -12.917 0.986 1.00 0.00 N ATOM 599 CA ALA A 39 -2.865 -12.385 1.880 1.00 0.00 C ATOM 600 C ALA A 39 -3.477 -13.498 2.738 1.00 0.00 C ATOM 601 O ALA A 39 -3.358 -14.687 2.436 1.00 0.00 O ATOM 602 CB ALA A 39 -3.959 -11.704 1.056 1.00 0.00 C ATOM 0 H ALA A 39 -2.090 -12.853 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.399 -11.659 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.722 -11.305 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.524 -10.891 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.412 -12.430 0.381 1.00 0.00 H new ATOM 608 N LEU A 40 -4.209 -13.078 3.768 1.00 0.00 N ATOM 609 CA LEU A 40 -4.831 -13.967 4.745 1.00 0.00 C ATOM 610 C LEU A 40 -6.334 -13.754 4.590 1.00 0.00 C ATOM 611 O LEU A 40 -6.979 -13.149 5.445 1.00 0.00 O ATOM 612 CB LEU A 40 -4.302 -13.632 6.153 1.00 0.00 C ATOM 613 CG LEU A 40 -2.786 -13.860 6.332 1.00 0.00 C ATOM 614 CD1 LEU A 40 -2.325 -13.285 7.675 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.409 -15.344 6.254 1.00 0.00 C ATOM 0 H LEU A 40 -4.389 -12.091 3.950 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.596 -15.020 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.530 -12.590 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.838 -14.238 6.884 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.283 -13.346 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.254 -13.450 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.532 -12.215 7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.860 -13.780 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.333 -15.453 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.928 -15.893 7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.698 -15.742 5.281 1.00 0.00 H new ATOM 627 N VAL A 41 -6.839 -14.167 3.423 1.00 0.00 N ATOM 628 CA VAL A 41 -8.188 -13.871 2.947 1.00 0.00 C ATOM 629 C VAL A 41 -9.241 -13.966 4.059 1.00 0.00 C ATOM 630 O VAL A 41 -9.381 -15.003 4.713 1.00 0.00 O ATOM 631 CB VAL A 41 -8.526 -14.762 1.729 1.00 0.00 C ATOM 632 CG1 VAL A 41 -9.834 -14.315 1.059 1.00 0.00 C ATOM 633 CG2 VAL A 41 -7.405 -14.727 0.671 1.00 0.00 C ATOM 0 H VAL A 41 -6.302 -14.733 2.766 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.211 -12.831 2.622 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.633 -15.777 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.045 -14.960 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.652 -14.383 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.735 -13.284 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.678 -15.365 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.267 -13.704 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.476 -15.087 1.113 1.00 0.00 H new ATOM 643 N GLY A 42 -9.976 -12.867 4.255 1.00 0.00 N ATOM 644 CA GLY A 42 -11.097 -12.806 5.185 1.00 0.00 C ATOM 645 C GLY A 42 -10.733 -12.181 6.532 1.00 0.00 C ATOM 646 O GLY A 42 -11.626 -11.653 7.199 1.00 0.00 O ATOM 0 H GLY A 42 -9.804 -11.989 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.905 -12.231 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.477 -13.814 5.351 1.00 0.00 H new ATOM 650 N LYS A 43 -9.458 -12.206 6.950 1.00 0.00 N ATOM 651 CA LYS A 43 -9.050 -11.577 8.211 1.00 0.00 C ATOM 652 C LYS A 43 -9.230 -10.061 8.127 1.00 0.00 C ATOM 653 O LYS A 43 -9.110 -9.477 7.047 1.00 0.00 O ATOM 654 CB LYS A 43 -7.602 -11.937 8.582 1.00 0.00 C ATOM 655 CG LYS A 43 -7.458 -13.427 8.930 1.00 0.00 C ATOM 656 CD LYS A 43 -6.145 -13.713 9.671 1.00 0.00 C ATOM 657 CE LYS A 43 -6.039 -15.216 9.972 1.00 0.00 C ATOM 658 NZ LYS A 43 -4.864 -15.548 10.818 1.00 0.00 N ATOM 0 H LYS A 43 -8.698 -12.652 6.436 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.692 -11.963 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.942 -11.692 7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.283 -11.333 9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.300 -13.739 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.496 -14.019 8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.297 -13.393 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.108 -13.143 10.599 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.948 -15.547 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.974 -15.767 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.839 -16.573 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.992 -15.258 10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.937 -15.045 11.726 1.00 0.00 H new ATOM 672 N GLY A 44 -9.500 -9.429 9.269 1.00 0.00 N ATOM 673 CA GLY A 44 -9.569 -7.979 9.371 1.00 0.00 C ATOM 674 C GLY A 44 -8.171 -7.363 9.403 1.00 0.00 C ATOM 675 O GLY A 44 -7.165 -8.058 9.229 1.00 0.00 O ATOM 0 H GLY A 44 -9.677 -9.913 10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.127 -7.578 8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.113 -7.700 10.273 1.00 0.00 H new ATOM 679 N ALA A 45 -8.108 -6.048 9.632 1.00 0.00 N ATOM 680 CA ALA A 45 -6.834 -5.370 9.844 1.00 0.00 C ATOM 681 C ALA A 45 -6.154 -5.899 11.118 1.00 0.00 C ATOM 682 O ALA A 45 -6.816 -6.317 12.072 1.00 0.00 O ATOM 683 CB ALA A 45 -7.046 -3.854 9.896 1.00 0.00 C ATOM 0 H ALA A 45 -8.924 -5.437 9.674 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.169 -5.581 9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.088 -3.358 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.479 -3.515 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.722 -3.609 10.715 1.00 0.00 H new ATOM 689 N ASP A 46 -4.823 -5.878 11.117 1.00 0.00 N ATOM 690 CA ASP A 46 -3.997 -6.390 12.209 1.00 0.00 C ATOM 691 C ASP A 46 -4.179 -5.543 13.485 1.00 0.00 C ATOM 692 O ASP A 46 -4.155 -4.315 13.383 1.00 0.00 O ATOM 693 CB ASP A 46 -2.534 -6.370 11.753 1.00 0.00 C ATOM 694 CG ASP A 46 -1.595 -6.787 12.881 1.00 0.00 C ATOM 695 OD1 ASP A 46 -1.264 -5.934 13.730 1.00 0.00 O ATOM 696 OD2 ASP A 46 -1.194 -7.967 12.948 1.00 0.00 O ATOM 0 H ASP A 46 -4.278 -5.498 10.343 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.300 -7.409 12.451 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.406 -7.042 10.904 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.272 -5.369 11.410 1.00 0.00 H new ATOM 701 N PRO A 47 -4.344 -6.137 14.686 1.00 0.00 N ATOM 702 CA PRO A 47 -4.570 -5.400 15.931 1.00 0.00 C ATOM 703 C PRO A 47 -3.529 -4.321 16.261 1.00 0.00 C ATOM 704 O PRO A 47 -3.877 -3.277 16.820 1.00 0.00 O ATOM 705 CB PRO A 47 -4.598 -6.459 17.038 1.00 0.00 C ATOM 706 CG PRO A 47 -5.066 -7.718 16.317 1.00 0.00 C ATOM 707 CD PRO A 47 -4.450 -7.570 14.928 1.00 0.00 C ATOM 0 HA PRO A 47 -5.499 -4.839 15.831 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.614 -6.596 17.487 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.279 -6.181 17.842 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.719 -8.622 16.818 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.154 -7.776 16.272 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.471 -8.047 14.883 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.073 -8.048 14.172 1.00 0.00 H new ATOM 715 N THR A 48 -2.255 -4.541 15.941 1.00 0.00 N ATOM 716 CA THR A 48 -1.207 -3.586 16.264 1.00 0.00 C ATOM 717 C THR A 48 -1.126 -2.524 15.163 1.00 0.00 C ATOM 718 O THR A 48 -0.872 -1.360 15.476 1.00 0.00 O ATOM 719 CB THR A 48 0.121 -4.317 16.501 1.00 0.00 C ATOM 720 OG1 THR A 48 -0.076 -5.461 17.324 1.00 0.00 O ATOM 721 CG2 THR A 48 1.136 -3.412 17.200 1.00 0.00 C ATOM 0 H THR A 48 -1.927 -5.377 15.457 1.00 0.00 H new ATOM 0 HA THR A 48 -1.441 -3.066 17.193 1.00 0.00 H new ATOM 0 HB THR A 48 0.499 -4.611 15.522 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.794 -5.823 17.594 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.066 -3.959 17.354 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.329 -2.535 16.581 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.738 -3.095 18.164 1.00 0.00 H new ATOM 729 N ALA A 49 -1.436 -2.872 13.906 1.00 0.00 N ATOM 730 CA ALA A 49 -1.598 -1.876 12.851 1.00 0.00 C ATOM 731 C ALA A 49 -2.753 -0.935 13.211 1.00 0.00 C ATOM 732 O ALA A 49 -2.599 0.283 13.135 1.00 0.00 O ATOM 733 CB ALA A 49 -1.833 -2.554 11.499 1.00 0.00 C ATOM 0 H ALA A 49 -1.578 -3.835 13.601 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.684 -1.289 12.766 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.951 -1.794 10.727 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.980 -3.188 11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.735 -3.163 11.550 1.00 0.00 H new ATOM 739 N ILE A 50 -3.882 -1.489 13.673 1.00 0.00 N ATOM 740 CA ILE A 50 -5.004 -0.713 14.191 1.00 0.00 C ATOM 741 C ILE A 50 -4.509 0.154 15.349 1.00 0.00 C ATOM 742 O ILE A 50 -4.838 1.333 15.365 1.00 0.00 O ATOM 743 CB ILE A 50 -6.168 -1.639 14.621 1.00 0.00 C ATOM 744 CG1 ILE A 50 -6.823 -2.328 13.402 1.00 0.00 C ATOM 745 CG2 ILE A 50 -7.252 -0.878 15.416 1.00 0.00 C ATOM 746 CD1 ILE A 50 -7.724 -3.513 13.782 1.00 0.00 C ATOM 0 H ILE A 50 -4.038 -2.497 13.696 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.397 -0.065 13.408 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.729 -2.397 15.269 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.413 -1.594 12.853 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.041 -2.677 12.728 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.048 -1.567 15.697 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.810 -0.449 16.315 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.664 -0.080 14.798 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.151 -3.950 12.879 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.134 -4.266 14.305 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.527 -3.166 14.432 1.00 0.00 H new ATOM 758 N SER A 51 -3.724 -0.382 16.291 1.00 0.00 N ATOM 759 CA SER A 51 -3.261 0.387 17.444 1.00 0.00 C ATOM 760 C SER A 51 -2.508 1.650 17.006 1.00 0.00 C ATOM 761 O SER A 51 -2.866 2.756 17.422 1.00 0.00 O ATOM 762 CB SER A 51 -2.367 -0.469 18.347 1.00 0.00 C ATOM 763 OG SER A 51 -3.045 -1.577 18.919 1.00 0.00 O ATOM 0 H SER A 51 -3.397 -1.348 16.274 1.00 0.00 H new ATOM 0 HA SER A 51 -4.142 0.692 18.008 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.518 -0.831 17.768 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.966 0.155 19.146 1.00 0.00 H new ATOM 0 HG SER A 51 -3.345 -2.180 18.207 1.00 0.00 H new ATOM 769 N VAL A 52 -1.490 1.513 16.150 1.00 0.00 N ATOM 770 CA VAL A 52 -0.696 2.665 15.731 1.00 0.00 C ATOM 771 C VAL A 52 -1.527 3.614 14.861 1.00 0.00 C ATOM 772 O VAL A 52 -1.340 4.826 14.948 1.00 0.00 O ATOM 773 CB VAL A 52 0.638 2.250 15.079 1.00 0.00 C ATOM 774 CG1 VAL A 52 1.499 1.473 16.090 1.00 0.00 C ATOM 775 CG2 VAL A 52 0.493 1.424 13.795 1.00 0.00 C ATOM 0 H VAL A 52 -1.201 0.625 15.739 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.416 3.222 16.625 1.00 0.00 H new ATOM 0 HB VAL A 52 1.120 3.183 14.787 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.439 1.184 15.621 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.704 2.104 16.954 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.964 0.579 16.412 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.481 1.178 13.407 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.051 0.505 14.013 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.055 2.002 13.051 1.00 0.00 H new ATOM 785 N ALA A 53 -2.481 3.107 14.073 1.00 0.00 N ATOM 786 CA ALA A 53 -3.322 3.960 13.246 1.00 0.00 C ATOM 787 C ALA A 53 -4.372 4.699 14.088 1.00 0.00 C ATOM 788 O ALA A 53 -4.693 5.852 13.799 1.00 0.00 O ATOM 789 CB ALA A 53 -3.964 3.105 12.153 1.00 0.00 C ATOM 0 H ALA A 53 -2.685 2.111 13.995 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.710 4.732 12.779 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.597 3.732 11.526 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.184 2.650 11.542 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.569 2.322 12.611 1.00 0.00 H new ATOM 795 N ALA A 54 -4.877 4.077 15.157 1.00 0.00 N ATOM 796 CA ALA A 54 -5.826 4.693 16.078 1.00 0.00 C ATOM 797 C ALA A 54 -5.188 5.853 16.845 1.00 0.00 C ATOM 798 O ALA A 54 -5.886 6.811 17.178 1.00 0.00 O ATOM 799 CB ALA A 54 -6.370 3.644 17.053 1.00 0.00 C ATOM 0 H ALA A 54 -4.633 3.119 15.407 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.651 5.097 15.491 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.077 4.114 17.736 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.874 2.855 16.495 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.546 3.215 17.623 1.00 0.00 H new ATOM 805 N GLU A 55 -3.868 5.822 17.063 1.00 0.00 N ATOM 806 CA GLU A 55 -3.134 6.965 17.614 1.00 0.00 C ATOM 807 C GLU A 55 -3.246 8.208 16.705 1.00 0.00 C ATOM 808 O GLU A 55 -3.133 9.336 17.188 1.00 0.00 O ATOM 809 CB GLU A 55 -1.672 6.555 17.869 1.00 0.00 C ATOM 810 CG GLU A 55 -0.940 7.535 18.797 1.00 0.00 C ATOM 811 CD GLU A 55 0.456 7.014 19.186 1.00 0.00 C ATOM 812 OE1 GLU A 55 0.573 6.244 20.167 1.00 0.00 O ATOM 813 OE2 GLU A 55 1.457 7.392 18.536 1.00 0.00 O ATOM 0 H GLU A 55 -3.283 5.010 16.864 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.582 7.252 18.565 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.649 5.558 18.308 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.143 6.497 16.918 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.843 8.502 18.302 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.533 7.696 19.698 1.00 0.00 H new ATOM 820 N HIS A 56 -3.567 8.014 15.419 1.00 0.00 N ATOM 821 CA HIS A 56 -3.830 9.061 14.430 1.00 0.00 C ATOM 822 C HIS A 56 -5.303 9.041 13.976 1.00 0.00 C ATOM 823 O HIS A 56 -5.649 9.647 12.958 1.00 0.00 O ATOM 824 CB HIS A 56 -2.854 8.893 13.256 1.00 0.00 C ATOM 825 CG HIS A 56 -1.405 8.980 13.674 1.00 0.00 C ATOM 826 ND1 HIS A 56 -0.720 10.124 14.021 1.00 0.00 N ATOM 827 CD2 HIS A 56 -0.536 7.931 13.818 1.00 0.00 C ATOM 828 CE1 HIS A 56 0.532 9.772 14.361 1.00 0.00 C ATOM 829 NE2 HIS A 56 0.697 8.440 14.254 1.00 0.00 N ATOM 0 H HIS A 56 -3.654 7.078 15.024 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.666 10.041 14.878 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.031 7.929 12.779 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.057 9.661 12.509 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.761 6.892 13.629 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.300 10.463 14.677 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.546 7.909 14.450 1.00 0.00 H new ATOM 837 N GLN A 57 -6.168 8.360 14.742 1.00 0.00 N ATOM 838 CA GLN A 57 -7.601 8.235 14.481 1.00 0.00 C ATOM 839 C GLN A 57 -7.886 7.837 13.023 1.00 0.00 C ATOM 840 O GLN A 57 -8.763 8.408 12.375 1.00 0.00 O ATOM 841 CB GLN A 57 -8.355 9.498 14.958 1.00 0.00 C ATOM 842 CG GLN A 57 -8.227 9.788 16.466 1.00 0.00 C ATOM 843 CD GLN A 57 -6.877 10.394 16.864 1.00 0.00 C ATOM 844 OE1 GLN A 57 -6.569 11.539 16.542 1.00 0.00 O ATOM 845 NE2 GLN A 57 -6.035 9.647 17.561 1.00 0.00 N ATOM 0 H GLN A 57 -5.876 7.867 15.586 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.995 7.409 15.073 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.983 10.359 14.403 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.411 9.391 14.710 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.023 10.469 16.765 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.376 8.861 17.019 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.295 8.697 17.826 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.126 10.021 17.833 1.00 0.00 H new ATOM 854 N LEU A 58 -7.102 6.894 12.492 1.00 0.00 N ATOM 855 CA LEU A 58 -7.149 6.484 11.093 1.00 0.00 C ATOM 856 C LEU A 58 -7.622 5.034 11.100 1.00 0.00 C ATOM 857 O LEU A 58 -6.841 4.101 11.269 1.00 0.00 O ATOM 858 CB LEU A 58 -5.754 6.734 10.485 1.00 0.00 C ATOM 859 CG LEU A 58 -5.528 6.531 8.977 1.00 0.00 C ATOM 860 CD1 LEU A 58 -5.121 5.098 8.639 1.00 0.00 C ATOM 861 CD2 LEU A 58 -6.721 6.972 8.124 1.00 0.00 C ATOM 0 H LEU A 58 -6.405 6.387 13.037 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.841 7.044 10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.477 7.762 10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.051 6.087 11.009 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.695 7.186 8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.973 5.006 7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.193 4.852 9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.906 4.412 8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.498 6.803 7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.602 6.396 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.913 8.032 8.288 1.00 0.00 H new ATOM 873 N SER A 59 -8.937 4.856 11.028 1.00 0.00 N ATOM 874 CA SER A 59 -9.601 3.577 11.240 1.00 0.00 C ATOM 875 C SER A 59 -9.303 2.591 10.104 1.00 0.00 C ATOM 876 O SER A 59 -9.908 2.674 9.034 1.00 0.00 O ATOM 877 CB SER A 59 -11.110 3.822 11.394 1.00 0.00 C ATOM 878 OG SER A 59 -11.353 4.845 12.351 1.00 0.00 O ATOM 0 H SER A 59 -9.584 5.615 10.816 1.00 0.00 H new ATOM 0 HA SER A 59 -9.216 3.120 12.151 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.538 4.106 10.433 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.604 2.901 11.704 1.00 0.00 H new ATOM 0 HG SER A 59 -12.318 4.990 12.436 1.00 0.00 H new ATOM 884 N LEU A 60 -8.389 1.639 10.335 1.00 0.00 N ATOM 885 CA LEU A 60 -8.169 0.521 9.408 1.00 0.00 C ATOM 886 C LEU A 60 -9.382 -0.413 9.379 1.00 0.00 C ATOM 887 O LEU A 60 -9.579 -1.131 8.399 1.00 0.00 O ATOM 888 CB LEU A 60 -6.923 -0.306 9.775 1.00 0.00 C ATOM 889 CG LEU A 60 -5.613 0.471 9.985 1.00 0.00 C ATOM 890 CD1 LEU A 60 -4.463 -0.520 10.169 1.00 0.00 C ATOM 891 CD2 LEU A 60 -5.288 1.414 8.827 1.00 0.00 C ATOM 0 H LEU A 60 -7.788 1.621 11.159 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.016 0.967 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.140 -0.860 10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.759 -1.042 8.987 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.742 1.088 10.875 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.532 0.027 10.318 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.659 -1.147 11.039 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.377 -1.147 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.353 1.934 9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.188 0.839 7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.091 2.142 8.715 1.00 0.00 H new ATOM 903 N GLU A 61 -10.171 -0.412 10.462 1.00 0.00 N ATOM 904 CA GLU A 61 -11.390 -1.206 10.578 1.00 0.00 C ATOM 905 C GLU A 61 -12.255 -1.056 9.319 1.00 0.00 C ATOM 906 O GLU A 61 -12.439 0.054 8.805 1.00 0.00 O ATOM 907 CB GLU A 61 -12.135 -0.782 11.855 1.00 0.00 C ATOM 908 CG GLU A 61 -13.357 -1.665 12.143 1.00 0.00 C ATOM 909 CD GLU A 61 -14.044 -1.267 13.462 1.00 0.00 C ATOM 910 OE1 GLU A 61 -14.940 -0.392 13.447 1.00 0.00 O ATOM 911 OE2 GLU A 61 -13.713 -1.838 14.526 1.00 0.00 O ATOM 0 H GLU A 61 -9.973 0.150 11.290 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.145 -2.265 10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.451 -0.826 12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.455 0.255 11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.069 -1.582 11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.049 -2.709 12.193 1.00 0.00 H new ATOM 918 N GLY A 62 -12.739 -2.190 8.808 1.00 0.00 N ATOM 919 CA GLY A 62 -13.482 -2.261 7.555 1.00 0.00 C ATOM 920 C GLY A 62 -12.667 -2.973 6.474 1.00 0.00 C ATOM 921 O GLY A 62 -13.251 -3.601 5.588 1.00 0.00 O ATOM 0 H GLY A 62 -12.622 -3.096 9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.422 -2.790 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.735 -1.255 7.221 1.00 0.00 H new ATOM 925 N HIS A 63 -11.331 -2.919 6.555 1.00 0.00 N ATOM 926 CA HIS A 63 -10.452 -3.714 5.713 1.00 0.00 C ATOM 927 C HIS A 63 -10.744 -5.196 5.940 1.00 0.00 C ATOM 928 O HIS A 63 -10.873 -5.640 7.085 1.00 0.00 O ATOM 929 CB HIS A 63 -8.981 -3.420 6.042 1.00 0.00 C ATOM 930 CG HIS A 63 -8.038 -4.391 5.370 1.00 0.00 C ATOM 931 ND1 HIS A 63 -7.683 -4.395 4.040 1.00 0.00 N ATOM 932 CD2 HIS A 63 -7.496 -5.518 5.933 1.00 0.00 C ATOM 933 CE1 HIS A 63 -6.963 -5.500 3.810 1.00 0.00 C ATOM 934 NE2 HIS A 63 -6.803 -6.213 4.937 1.00 0.00 N ATOM 0 H HIS A 63 -10.835 -2.317 7.212 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.632 -3.457 4.669 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.737 -2.405 5.729 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.836 -3.465 7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.588 -5.817 6.967 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.564 -5.781 2.847 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.282 -7.084 5.044 1.00 0.00 H new ATOM 942 N CYS A 64 -10.763 -5.953 4.844 1.00 0.00 N ATOM 943 CA CYS A 64 -10.809 -7.402 4.866 1.00 0.00 C ATOM 944 C CYS A 64 -9.745 -7.871 3.872 1.00 0.00 C ATOM 945 O CYS A 64 -9.730 -7.416 2.724 1.00 0.00 O ATOM 946 CB CYS A 64 -12.206 -7.877 4.454 1.00 0.00 C ATOM 947 SG CYS A 64 -13.453 -7.403 5.689 1.00 0.00 S ATOM 0 H CYS A 64 -10.746 -5.563 3.902 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.613 -7.809 5.858 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.468 -7.449 3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.204 -8.960 4.333 1.00 0.00 H new ATOM 0 HG CYS A 64 -12.896 -6.675 6.611 1.00 0.00 H new ATOM 953 N ALA A 65 -8.844 -8.743 4.326 1.00 0.00 N ATOM 954 CA ALA A 65 -7.729 -9.210 3.521 1.00 0.00 C ATOM 955 C ALA A 65 -8.230 -10.019 2.324 1.00 0.00 C ATOM 956 O ALA A 65 -9.267 -10.685 2.395 1.00 0.00 O ATOM 957 CB ALA A 65 -6.771 -10.014 4.397 1.00 0.00 C ATOM 0 H ALA A 65 -8.872 -9.142 5.264 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.184 -8.356 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.934 -10.365 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.398 -9.382 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.297 -10.870 4.821 1.00 0.00 H new ATOM 963 N ARG A 66 -7.456 -9.973 1.240 1.00 0.00 N ATOM 964 CA ARG A 66 -7.857 -10.482 -0.069 1.00 0.00 C ATOM 965 C ARG A 66 -6.586 -10.683 -0.889 1.00 0.00 C ATOM 966 O ARG A 66 -5.748 -9.784 -0.961 1.00 0.00 O ATOM 967 CB ARG A 66 -8.829 -9.473 -0.731 1.00 0.00 C ATOM 968 CG ARG A 66 -8.361 -8.000 -0.708 1.00 0.00 C ATOM 969 CD ARG A 66 -9.500 -7.005 -0.971 1.00 0.00 C ATOM 970 NE ARG A 66 -9.155 -5.693 -0.401 1.00 0.00 N ATOM 971 CZ ARG A 66 -9.820 -4.544 -0.542 1.00 0.00 C ATOM 972 NH1 ARG A 66 -10.872 -4.442 -1.342 1.00 0.00 N ATOM 973 NH2 ARG A 66 -9.421 -3.455 0.104 1.00 0.00 N ATOM 0 H ARG A 66 -6.517 -9.574 1.248 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.383 -11.433 0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.988 -9.771 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.794 -9.539 -0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.912 -7.782 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.583 -7.860 -1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.674 -6.912 -2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.426 -7.372 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.309 -5.657 0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.192 -5.254 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.361 -3.551 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.603 -3.494 0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.933 -2.580 -0.007 1.00 0.00 H new ATOM 987 N GLN A 67 -6.403 -11.873 -1.459 1.00 0.00 N ATOM 988 CA GLN A 67 -5.227 -12.157 -2.265 1.00 0.00 C ATOM 989 C GLN A 67 -5.362 -11.441 -3.597 1.00 0.00 C ATOM 990 O GLN A 67 -6.454 -11.341 -4.164 1.00 0.00 O ATOM 991 CB GLN A 67 -5.026 -13.674 -2.426 1.00 0.00 C ATOM 992 CG GLN A 67 -3.585 -14.002 -2.858 1.00 0.00 C ATOM 993 CD GLN A 67 -3.315 -15.494 -3.065 1.00 0.00 C ATOM 994 OE1 GLN A 67 -4.215 -16.324 -3.166 1.00 0.00 O ATOM 995 NE2 GLN A 67 -2.048 -15.865 -3.140 1.00 0.00 N ATOM 0 H GLN A 67 -7.056 -12.652 -1.375 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.332 -11.785 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.249 -14.175 -1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.727 -14.060 -3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.367 -13.473 -3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.896 -13.621 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.307 -15.169 -3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.812 -16.847 -3.283 1.00 0.00 H new ATOM 1004 N ILE A 68 -4.226 -10.952 -4.083 1.00 0.00 N ATOM 1005 CA ILE A 68 -4.133 -10.440 -5.430 1.00 0.00 C ATOM 1006 C ILE A 68 -4.481 -11.569 -6.412 1.00 0.00 C ATOM 1007 O ILE A 68 -4.274 -12.757 -6.143 1.00 0.00 O ATOM 1008 CB ILE A 68 -2.737 -9.827 -5.652 1.00 0.00 C ATOM 1009 CG1 ILE A 68 -2.772 -8.863 -6.856 1.00 0.00 C ATOM 1010 CG2 ILE A 68 -1.647 -10.902 -5.793 1.00 0.00 C ATOM 1011 CD1 ILE A 68 -1.489 -8.047 -7.005 1.00 0.00 C ATOM 0 H ILE A 68 -3.356 -10.903 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.848 -9.636 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.469 -9.252 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.940 -9.436 -7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.617 -8.184 -6.746 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.681 -10.422 -5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.611 -11.505 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.875 -11.542 -6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.575 -7.388 -7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.332 -7.449 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.644 -8.721 -7.145 1.00 0.00 H new ATOM 1023 N SER A 69 -4.971 -11.167 -7.571 1.00 0.00 N ATOM 1024 CA SER A 69 -5.173 -12.038 -8.714 1.00 0.00 C ATOM 1025 C SER A 69 -4.780 -11.250 -9.966 1.00 0.00 C ATOM 1026 O SER A 69 -4.633 -10.023 -9.904 1.00 0.00 O ATOM 1027 CB SER A 69 -6.639 -12.493 -8.713 1.00 0.00 C ATOM 1028 OG SER A 69 -7.504 -11.403 -8.989 1.00 0.00 O ATOM 0 H SER A 69 -5.246 -10.201 -7.747 1.00 0.00 H new ATOM 0 HA SER A 69 -4.559 -12.938 -8.681 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.782 -13.275 -9.459 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.890 -12.926 -7.745 1.00 0.00 H new ATOM 0 HG SER A 69 -8.433 -11.714 -8.986 1.00 0.00 H new ATOM 1034 N ARG A 70 -4.636 -11.906 -11.123 1.00 0.00 N ATOM 1035 CA ARG A 70 -4.394 -11.177 -12.373 1.00 0.00 C ATOM 1036 C ARG A 70 -5.582 -10.270 -12.699 1.00 0.00 C ATOM 1037 O ARG A 70 -5.381 -9.161 -13.193 1.00 0.00 O ATOM 1038 CB ARG A 70 -4.070 -12.162 -13.510 1.00 0.00 C ATOM 1039 CG ARG A 70 -3.426 -11.461 -14.717 1.00 0.00 C ATOM 1040 CD ARG A 70 -2.974 -12.501 -15.748 1.00 0.00 C ATOM 1041 NE ARG A 70 -2.173 -11.894 -16.822 1.00 0.00 N ATOM 1042 CZ ARG A 70 -1.421 -12.561 -17.704 1.00 0.00 C ATOM 1043 NH1 ARG A 70 -1.415 -13.892 -17.736 1.00 0.00 N ATOM 1044 NH2 ARG A 70 -0.684 -11.873 -18.563 1.00 0.00 N ATOM 0 H ARG A 70 -4.682 -12.920 -11.220 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.525 -10.530 -12.254 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.397 -12.935 -13.139 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.985 -12.662 -13.828 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.139 -10.773 -15.171 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.573 -10.866 -14.390 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.389 -13.275 -15.251 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.848 -12.990 -16.178 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.193 -10.877 -16.901 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.991 -14.421 -17.080 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.835 -14.383 -18.416 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.697 -10.853 -18.544 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.103 -12.363 -19.244 1.00 0.00 H new ATOM 1058 N ARG A 71 -6.810 -10.690 -12.365 1.00 0.00 N ATOM 1059 CA ARG A 71 -7.990 -9.837 -12.501 1.00 0.00 C ATOM 1060 C ARG A 71 -7.832 -8.585 -11.646 1.00 0.00 C ATOM 1061 O ARG A 71 -8.058 -7.490 -12.156 1.00 0.00 O ATOM 1062 CB ARG A 71 -9.277 -10.597 -12.133 1.00 0.00 C ATOM 1063 CG ARG A 71 -9.584 -11.741 -13.110 1.00 0.00 C ATOM 1064 CD ARG A 71 -10.909 -12.424 -12.750 1.00 0.00 C ATOM 1065 NE ARG A 71 -11.229 -13.517 -13.688 1.00 0.00 N ATOM 1066 CZ ARG A 71 -10.857 -14.800 -13.575 1.00 0.00 C ATOM 1067 NH1 ARG A 71 -10.121 -15.211 -12.545 1.00 0.00 N ATOM 1068 NH2 ARG A 71 -11.227 -15.675 -14.506 1.00 0.00 N ATOM 0 H ARG A 71 -7.008 -11.621 -11.997 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.077 -9.538 -13.546 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.181 -11.000 -11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.115 -9.900 -12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.634 -11.353 -14.127 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.775 -12.471 -13.087 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.851 -12.819 -11.736 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.713 -11.688 -12.760 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.789 -13.272 -14.504 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.832 -14.546 -11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.846 -16.191 -12.473 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.790 -15.368 -15.299 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.948 -16.653 -14.427 1.00 0.00 H new ATOM 1082 N LEU A 72 -7.395 -8.712 -10.388 1.00 0.00 N ATOM 1083 CA LEU A 72 -7.115 -7.541 -9.562 1.00 0.00 C ATOM 1084 C LEU A 72 -6.032 -6.684 -10.206 1.00 0.00 C ATOM 1085 O LEU A 72 -6.208 -5.474 -10.268 1.00 0.00 O ATOM 1086 CB LEU A 72 -6.722 -7.911 -8.119 1.00 0.00 C ATOM 1087 CG LEU A 72 -7.902 -7.766 -7.143 1.00 0.00 C ATOM 1088 CD1 LEU A 72 -8.956 -8.864 -7.322 1.00 0.00 C ATOM 1089 CD2 LEU A 72 -7.409 -7.768 -5.692 1.00 0.00 C ATOM 0 H LEU A 72 -7.230 -9.607 -9.927 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.040 -6.968 -9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.356 -8.938 -8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.901 -7.273 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.374 -6.811 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.765 -8.712 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.355 -8.824 -8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.499 -9.839 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.260 -7.664 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.894 -8.706 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.722 -6.935 -5.540 1.00 0.00 H new ATOM 1101 N CYS A 73 -4.954 -7.271 -10.734 1.00 0.00 N ATOM 1102 CA CYS A 73 -3.893 -6.489 -11.366 1.00 0.00 C ATOM 1103 C CYS A 73 -4.426 -5.631 -12.525 1.00 0.00 C ATOM 1104 O CYS A 73 -3.923 -4.533 -12.750 1.00 0.00 O ATOM 1105 CB CYS A 73 -2.761 -7.391 -11.878 1.00 0.00 C ATOM 1106 SG CYS A 73 -1.986 -8.333 -10.532 1.00 0.00 S ATOM 0 H CYS A 73 -4.795 -8.279 -10.736 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.499 -5.826 -10.596 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.155 -8.081 -12.624 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.007 -6.781 -12.375 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.857 -9.147 -10.015 1.00 0.00 H new ATOM 1112 N ARG A 74 -5.438 -6.114 -13.257 1.00 0.00 N ATOM 1113 CA ARG A 74 -6.063 -5.357 -14.346 1.00 0.00 C ATOM 1114 C ARG A 74 -7.082 -4.332 -13.835 1.00 0.00 C ATOM 1115 O ARG A 74 -7.360 -3.358 -14.535 1.00 0.00 O ATOM 1116 CB ARG A 74 -6.765 -6.338 -15.303 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.777 -7.249 -16.046 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.524 -8.343 -16.815 1.00 0.00 C ATOM 1119 NE ARG A 74 -5.573 -9.233 -17.490 1.00 0.00 N ATOM 1120 CZ ARG A 74 -5.850 -10.310 -18.229 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.101 -10.712 -18.431 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -4.825 -10.964 -18.756 1.00 0.00 N ATOM 0 H ARG A 74 -5.845 -7.038 -13.111 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.276 -4.807 -14.862 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.465 -6.953 -14.737 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.350 -5.774 -16.030 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.177 -6.657 -16.737 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.088 -7.704 -15.334 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.147 -8.918 -16.129 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.192 -7.890 -17.548 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.585 -9.002 -17.382 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.876 -10.194 -18.017 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.286 -11.538 -19.000 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.873 -10.639 -18.590 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.988 -11.793 -19.328 1.00 0.00 H new ATOM 1136 N ASN A 75 -7.669 -4.549 -12.653 1.00 0.00 N ATOM 1137 CA ASN A 75 -8.805 -3.775 -12.153 1.00 0.00 C ATOM 1138 C ASN A 75 -8.449 -2.331 -11.791 1.00 0.00 C ATOM 1139 O ASN A 75 -9.313 -1.457 -11.885 1.00 0.00 O ATOM 1140 CB ASN A 75 -9.411 -4.471 -10.926 1.00 0.00 C ATOM 1141 CG ASN A 75 -10.654 -3.739 -10.426 1.00 0.00 C ATOM 1142 OD1 ASN A 75 -11.702 -3.772 -11.065 1.00 0.00 O ATOM 1143 ND2 ASN A 75 -10.580 -3.080 -9.280 1.00 0.00 N ATOM 0 H ASN A 75 -7.362 -5.278 -12.009 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.527 -3.729 -12.968 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.670 -5.499 -11.180 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.669 -4.517 -10.129 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.400 -2.592 -8.918 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.703 -3.060 -8.759 1.00 0.00 H new ATOM 1150 N TYR A 76 -7.203 -2.066 -11.391 1.00 0.00 N ATOM 1151 CA TYR A 76 -6.766 -0.737 -10.954 1.00 0.00 C ATOM 1152 C TYR A 76 -5.656 -0.281 -11.900 1.00 0.00 C ATOM 1153 O TYR A 76 -4.955 -1.115 -12.478 1.00 0.00 O ATOM 1154 CB TYR A 76 -6.312 -0.740 -9.479 1.00 0.00 C ATOM 1155 CG TYR A 76 -7.075 -1.654 -8.538 1.00 0.00 C ATOM 1156 CD1 TYR A 76 -6.778 -3.025 -8.508 1.00 0.00 C ATOM 1157 CD2 TYR A 76 -8.045 -1.145 -7.660 1.00 0.00 C ATOM 1158 CE1 TYR A 76 -7.476 -3.889 -7.649 1.00 0.00 C ATOM 1159 CE2 TYR A 76 -8.768 -2.002 -6.816 1.00 0.00 C ATOM 1160 CZ TYR A 76 -8.481 -3.386 -6.797 1.00 0.00 C ATOM 1161 OH TYR A 76 -9.168 -4.241 -5.990 1.00 0.00 O ATOM 0 H TYR A 76 -6.465 -2.770 -11.361 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.598 -0.034 -10.998 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.259 -1.019 -9.447 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.383 0.279 -9.098 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.005 -3.419 -9.151 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.237 -0.083 -7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.242 -4.943 -7.641 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.545 -1.604 -6.180 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.825 -3.738 -5.464 1.00 0.00 H new ATOM 1171 N ASP A 77 -5.494 1.030 -12.082 1.00 0.00 N ATOM 1172 CA ASP A 77 -4.615 1.565 -13.130 1.00 0.00 C ATOM 1173 C ASP A 77 -3.187 1.818 -12.634 1.00 0.00 C ATOM 1174 O ASP A 77 -2.278 2.027 -13.437 1.00 0.00 O ATOM 1175 CB ASP A 77 -5.225 2.840 -13.726 1.00 0.00 C ATOM 1176 CG ASP A 77 -4.444 3.334 -14.958 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -4.126 2.513 -15.850 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -4.202 4.556 -15.071 1.00 0.00 O ATOM 0 H ASP A 77 -5.958 1.743 -11.519 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.538 0.806 -13.909 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.261 2.649 -14.006 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.239 3.623 -12.968 1.00 0.00 H new ATOM 1183 N LEU A 78 -2.968 1.764 -11.318 1.00 0.00 N ATOM 1184 CA LEU A 78 -1.665 1.938 -10.692 1.00 0.00 C ATOM 1185 C LEU A 78 -1.653 1.009 -9.483 1.00 0.00 C ATOM 1186 O LEU A 78 -2.584 1.040 -8.673 1.00 0.00 O ATOM 1187 CB LEU A 78 -1.488 3.423 -10.309 1.00 0.00 C ATOM 1188 CG LEU A 78 -0.053 3.963 -10.150 1.00 0.00 C ATOM 1189 CD1 LEU A 78 0.745 3.278 -9.040 1.00 0.00 C ATOM 1190 CD2 LEU A 78 0.728 3.911 -11.468 1.00 0.00 C ATOM 0 H LEU A 78 -3.715 1.593 -10.645 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.833 1.687 -11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.989 4.025 -11.067 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.014 3.590 -9.369 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.179 5.004 -9.853 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.744 3.712 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.238 3.422 -8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.823 2.212 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.734 4.301 -11.311 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.789 2.879 -11.814 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.218 4.516 -12.217 1.00 0.00 H new ATOM 1202 N ILE A 79 -0.625 0.166 -9.382 1.00 0.00 N ATOM 1203 CA ILE A 79 -0.493 -0.800 -8.301 1.00 0.00 C ATOM 1204 C ILE A 79 0.782 -0.434 -7.553 1.00 0.00 C ATOM 1205 O ILE A 79 1.818 -0.178 -8.173 1.00 0.00 O ATOM 1206 CB ILE A 79 -0.437 -2.252 -8.833 1.00 0.00 C ATOM 1207 CG1 ILE A 79 -1.508 -2.612 -9.889 1.00 0.00 C ATOM 1208 CG2 ILE A 79 -0.515 -3.230 -7.649 1.00 0.00 C ATOM 1209 CD1 ILE A 79 -2.960 -2.570 -9.418 1.00 0.00 C ATOM 0 H ILE A 79 0.142 0.137 -10.054 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.360 -0.762 -7.642 1.00 0.00 H new ATOM 0 HB ILE A 79 0.514 -2.337 -9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.401 -1.929 -10.732 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.298 -3.614 -10.262 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.476 -4.254 -8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.325 -3.055 -6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.450 -3.075 -7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.618 -2.840 -10.244 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.097 -3.275 -8.598 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.202 -1.564 -9.075 1.00 0.00 H new ATOM 1221 N LEU A 80 0.710 -0.430 -6.227 1.00 0.00 N ATOM 1222 CA LEU A 80 1.837 -0.157 -5.360 1.00 0.00 C ATOM 1223 C LEU A 80 2.206 -1.448 -4.660 1.00 0.00 C ATOM 1224 O LEU A 80 1.345 -2.241 -4.280 1.00 0.00 O ATOM 1225 CB LEU A 80 1.515 0.921 -4.307 1.00 0.00 C ATOM 1226 CG LEU A 80 1.259 2.349 -4.820 1.00 0.00 C ATOM 1227 CD1 LEU A 80 2.312 2.814 -5.830 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -0.148 2.537 -5.388 1.00 0.00 C ATOM 0 H LEU A 80 -0.154 -0.621 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 80 2.661 0.221 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.634 0.598 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.343 0.960 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 80 1.343 2.983 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.080 3.828 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.296 2.800 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.310 2.146 -6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.267 3.564 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.297 1.854 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.885 2.327 -4.612 1.00 0.00 H new ATOM 1240 N THR A 81 3.498 -1.593 -4.433 1.00 0.00 N ATOM 1241 CA THR A 81 4.078 -2.646 -3.617 1.00 0.00 C ATOM 1242 C THR A 81 4.923 -1.931 -2.552 1.00 0.00 C ATOM 1243 O THR A 81 4.853 -0.702 -2.459 1.00 0.00 O ATOM 1244 CB THR A 81 4.868 -3.593 -4.531 1.00 0.00 C ATOM 1245 OG1 THR A 81 5.812 -2.884 -5.298 1.00 0.00 O ATOM 1246 CG2 THR A 81 3.977 -4.386 -5.490 1.00 0.00 C ATOM 0 H THR A 81 4.197 -0.961 -4.824 1.00 0.00 H new ATOM 0 HA THR A 81 3.348 -3.275 -3.108 1.00 0.00 H new ATOM 0 HB THR A 81 5.364 -4.294 -3.860 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.383 -2.103 -5.705 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.596 -5.036 -6.108 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.274 -4.991 -4.917 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.425 -3.696 -6.129 1.00 0.00 H new ATOM 1254 N MET A 82 5.727 -2.615 -1.733 1.00 0.00 N ATOM 1255 CA MET A 82 6.574 -1.929 -0.750 1.00 0.00 C ATOM 1256 C MET A 82 8.007 -2.460 -0.692 1.00 0.00 C ATOM 1257 O MET A 82 8.858 -1.821 -0.069 1.00 0.00 O ATOM 1258 CB MET A 82 5.899 -1.980 0.626 1.00 0.00 C ATOM 1259 CG MET A 82 4.591 -1.186 0.658 1.00 0.00 C ATOM 1260 SD MET A 82 4.036 -0.764 2.323 1.00 0.00 S ATOM 1261 CE MET A 82 2.406 -0.099 1.909 1.00 0.00 C ATOM 0 H MET A 82 5.810 -3.632 -1.729 1.00 0.00 H new ATOM 0 HA MET A 82 6.672 -0.893 -1.074 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.699 -3.018 0.892 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.581 -1.584 1.378 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.720 -0.268 0.084 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.813 -1.766 0.162 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.820 0.021 2.820 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.521 0.869 1.422 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.893 -0.786 1.235 1.00 0.00 H new ATOM 1271 N GLU A 83 8.300 -3.591 -1.342 1.00 0.00 N ATOM 1272 CA GLU A 83 9.644 -4.160 -1.381 1.00 0.00 C ATOM 1273 C GLU A 83 9.896 -4.630 -2.817 1.00 0.00 C ATOM 1274 O GLU A 83 8.961 -5.028 -3.517 1.00 0.00 O ATOM 1275 CB GLU A 83 9.769 -5.279 -0.328 1.00 0.00 C ATOM 1276 CG GLU A 83 9.707 -4.714 1.106 1.00 0.00 C ATOM 1277 CD GLU A 83 9.722 -5.809 2.174 1.00 0.00 C ATOM 1278 OE1 GLU A 83 10.807 -6.340 2.505 1.00 0.00 O ATOM 1279 OE2 GLU A 83 8.626 -6.203 2.634 1.00 0.00 O ATOM 0 H GLU A 83 7.608 -4.136 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 83 10.411 -3.430 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.968 -6.005 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.710 -5.811 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.553 -4.045 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.803 -4.116 1.218 1.00 0.00 H new ATOM 1286 N LYS A 84 11.150 -4.583 -3.276 1.00 0.00 N ATOM 1287 CA LYS A 84 11.478 -4.784 -4.696 1.00 0.00 C ATOM 1288 C LYS A 84 11.094 -6.174 -5.214 1.00 0.00 C ATOM 1289 O LYS A 84 10.676 -6.296 -6.368 1.00 0.00 O ATOM 1290 CB LYS A 84 12.963 -4.458 -4.958 1.00 0.00 C ATOM 1291 CG LYS A 84 13.305 -3.006 -4.567 1.00 0.00 C ATOM 1292 CD LYS A 84 14.769 -2.635 -4.858 1.00 0.00 C ATOM 1293 CE LYS A 84 15.161 -1.307 -4.183 1.00 0.00 C ATOM 1294 NZ LYS A 84 14.464 -0.127 -4.751 1.00 0.00 N ATOM 0 H LYS A 84 11.961 -4.407 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 84 10.867 -4.085 -5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.592 -5.145 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.189 -4.614 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.649 -2.325 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.104 -2.864 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.424 -3.431 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.918 -2.555 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.941 -1.371 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.237 -1.164 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.317 0.582 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.042 0.285 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.544 -0.420 -5.137 1.00 0.00 H new ATOM 1308 N ARG A 85 11.147 -7.205 -4.362 1.00 0.00 N ATOM 1309 CA ARG A 85 10.649 -8.540 -4.719 1.00 0.00 C ATOM 1310 C ARG A 85 9.184 -8.485 -5.152 1.00 0.00 C ATOM 1311 O ARG A 85 8.799 -9.193 -6.076 1.00 0.00 O ATOM 1312 CB ARG A 85 10.880 -9.560 -3.582 1.00 0.00 C ATOM 1313 CG ARG A 85 10.025 -9.309 -2.329 1.00 0.00 C ATOM 1314 CD ARG A 85 10.239 -10.356 -1.231 1.00 0.00 C ATOM 1315 NE ARG A 85 9.309 -10.085 -0.120 1.00 0.00 N ATOM 1316 CZ ARG A 85 9.496 -9.167 0.837 1.00 0.00 C ATOM 1317 NH1 ARG A 85 10.711 -8.704 1.107 1.00 0.00 N ATOM 1318 NH2 ARG A 85 8.449 -8.691 1.496 1.00 0.00 N ATOM 0 H ARG A 85 11.530 -7.141 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 85 11.227 -8.890 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.669 -10.561 -3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.933 -9.541 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.258 -8.322 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.972 -9.299 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.070 -11.357 -1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.269 -10.324 -0.876 1.00 0.00 H new ATOM 0 HE ARG A 85 8.455 -10.641 -0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.516 -9.048 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.839 -8.005 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.511 -9.024 1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.581 -7.992 2.227 1.00 0.00 H new ATOM 1332 N HIS A 86 8.356 -7.652 -4.517 1.00 0.00 N ATOM 1333 CA HIS A 86 6.929 -7.625 -4.793 1.00 0.00 C ATOM 1334 C HIS A 86 6.664 -6.970 -6.147 1.00 0.00 C ATOM 1335 O HIS A 86 5.780 -7.442 -6.864 1.00 0.00 O ATOM 1336 CB HIS A 86 6.172 -6.946 -3.641 1.00 0.00 C ATOM 1337 CG HIS A 86 6.154 -7.738 -2.352 1.00 0.00 C ATOM 1338 ND1 HIS A 86 5.965 -9.095 -2.243 1.00 0.00 N ATOM 1339 CD2 HIS A 86 6.221 -7.246 -1.073 1.00 0.00 C ATOM 1340 CE1 HIS A 86 5.897 -9.413 -0.943 1.00 0.00 C ATOM 1341 NE2 HIS A 86 6.065 -8.318 -0.181 1.00 0.00 N ATOM 0 H HIS A 86 8.657 -6.986 -3.805 1.00 0.00 H new ATOM 0 HA HIS A 86 6.551 -8.645 -4.856 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.624 -5.973 -3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.144 -6.764 -3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.368 -6.212 -0.800 1.00 0.00 H new ATOM 0 HE1 HIS A 86 5.731 -10.409 -0.561 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.077 -8.275 0.838 1.00 0.00 H new ATOM 1349 N ILE A 87 7.456 -5.962 -6.537 1.00 0.00 N ATOM 1350 CA ILE A 87 7.421 -5.418 -7.895 1.00 0.00 C ATOM 1351 C ILE A 87 7.695 -6.576 -8.862 1.00 0.00 C ATOM 1352 O ILE A 87 6.913 -6.822 -9.778 1.00 0.00 O ATOM 1353 CB ILE A 87 8.479 -4.299 -8.093 1.00 0.00 C ATOM 1354 CG1 ILE A 87 8.507 -3.235 -6.978 1.00 0.00 C ATOM 1355 CG2 ILE A 87 8.269 -3.597 -9.449 1.00 0.00 C ATOM 1356 CD1 ILE A 87 9.722 -2.309 -7.080 1.00 0.00 C ATOM 0 H ILE A 87 8.132 -5.506 -5.924 1.00 0.00 H new ATOM 0 HA ILE A 87 6.445 -4.970 -8.082 1.00 0.00 H new ATOM 0 HB ILE A 87 9.441 -4.810 -8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.595 -2.639 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.513 -3.731 -6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.018 -2.815 -9.574 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.367 -4.325 -10.254 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.274 -3.154 -9.479 1.00 0.00 H new ATOM 0 HD11 ILE A 87 9.692 -1.579 -6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.636 -2.898 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.704 -1.790 -8.038 1.00 0.00 H new ATOM 1368 N GLU A 88 8.801 -7.293 -8.638 1.00 0.00 N ATOM 1369 CA GLU A 88 9.299 -8.285 -9.583 1.00 0.00 C ATOM 1370 C GLU A 88 8.303 -9.440 -9.751 1.00 0.00 C ATOM 1371 O GLU A 88 8.019 -9.855 -10.877 1.00 0.00 O ATOM 1372 CB GLU A 88 10.689 -8.737 -9.101 1.00 0.00 C ATOM 1373 CG GLU A 88 11.435 -9.680 -10.059 1.00 0.00 C ATOM 1374 CD GLU A 88 10.955 -11.142 -10.018 1.00 0.00 C ATOM 1375 OE1 GLU A 88 10.636 -11.669 -8.934 1.00 0.00 O ATOM 1376 OE2 GLU A 88 10.926 -11.809 -11.075 1.00 0.00 O ATOM 0 H GLU A 88 9.371 -7.199 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 88 9.402 -7.857 -10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.304 -7.853 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.579 -9.235 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.327 -9.304 -11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.498 -9.653 -9.820 1.00 0.00 H new ATOM 1383 N ARG A 89 7.715 -9.919 -8.651 1.00 0.00 N ATOM 1384 CA ARG A 89 6.715 -10.981 -8.706 1.00 0.00 C ATOM 1385 C ARG A 89 5.479 -10.508 -9.462 1.00 0.00 C ATOM 1386 O ARG A 89 4.973 -11.246 -10.307 1.00 0.00 O ATOM 1387 CB ARG A 89 6.358 -11.477 -7.296 1.00 0.00 C ATOM 1388 CG ARG A 89 7.515 -12.170 -6.548 1.00 0.00 C ATOM 1389 CD ARG A 89 7.899 -13.567 -7.051 1.00 0.00 C ATOM 1390 NE ARG A 89 8.676 -13.508 -8.301 1.00 0.00 N ATOM 1391 CZ ARG A 89 8.504 -14.235 -9.407 1.00 0.00 C ATOM 1392 NH1 ARG A 89 7.590 -15.198 -9.471 1.00 0.00 N ATOM 1393 NH2 ARG A 89 9.252 -13.967 -10.467 1.00 0.00 N ATOM 0 H ARG A 89 7.918 -9.584 -7.709 1.00 0.00 H new ATOM 0 HA ARG A 89 7.138 -11.826 -9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.015 -10.629 -6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.522 -12.173 -7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.395 -11.530 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.246 -12.246 -5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.481 -14.081 -6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.996 -14.155 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 89 9.437 -12.830 -8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.000 -15.396 -8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.479 -15.739 -10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.943 -13.218 -10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.137 -14.510 -11.323 1.00 0.00 H new ATOM 1407 N LEU A 90 5.004 -9.285 -9.213 1.00 0.00 N ATOM 1408 CA LEU A 90 3.828 -8.769 -9.908 1.00 0.00 C ATOM 1409 C LEU A 90 4.115 -8.623 -11.403 1.00 0.00 C ATOM 1410 O LEU A 90 3.264 -8.980 -12.215 1.00 0.00 O ATOM 1411 CB LEU A 90 3.351 -7.464 -9.250 1.00 0.00 C ATOM 1412 CG LEU A 90 1.884 -7.123 -9.591 1.00 0.00 C ATOM 1413 CD1 LEU A 90 1.255 -6.340 -8.433 1.00 0.00 C ATOM 1414 CD2 LEU A 90 1.716 -6.294 -10.873 1.00 0.00 C ATOM 0 H LEU A 90 5.415 -8.639 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 90 3.007 -9.480 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.458 -7.548 -8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.994 -6.644 -9.571 1.00 0.00 H new ATOM 0 HG LEU A 90 1.388 -8.080 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.220 -6.100 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.285 -6.945 -7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.813 -5.417 -8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.658 -6.097 -11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.249 -5.349 -10.768 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.122 -6.847 -11.720 1.00 0.00 H new ATOM 1426 N CYS A 91 5.322 -8.185 -11.780 1.00 0.00 N ATOM 1427 CA CYS A 91 5.714 -8.072 -13.181 1.00 0.00 C ATOM 1428 C CYS A 91 5.671 -9.419 -13.905 1.00 0.00 C ATOM 1429 O CYS A 91 5.411 -9.444 -15.111 1.00 0.00 O ATOM 1430 CB CYS A 91 7.126 -7.478 -13.292 1.00 0.00 C ATOM 1431 SG CYS A 91 7.165 -5.765 -12.693 1.00 0.00 S ATOM 0 H CYS A 91 6.048 -7.901 -11.122 1.00 0.00 H new ATOM 0 HA CYS A 91 4.993 -7.410 -13.661 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.825 -8.084 -12.715 1.00 0.00 H new ATOM 0 HB3 CYS A 91 7.457 -7.511 -14.330 1.00 0.00 H new ATOM 0 HG CYS A 91 7.094 -5.757 -11.395 1.00 0.00 H new ATOM 1437 N GLU A 92 5.940 -10.529 -13.211 1.00 0.00 N ATOM 1438 CA GLU A 92 5.816 -11.862 -13.782 1.00 0.00 C ATOM 1439 C GLU A 92 4.338 -12.259 -13.910 1.00 0.00 C ATOM 1440 O GLU A 92 3.940 -12.801 -14.941 1.00 0.00 O ATOM 1441 CB GLU A 92 6.600 -12.880 -12.936 1.00 0.00 C ATOM 1442 CG GLU A 92 6.650 -14.258 -13.618 1.00 0.00 C ATOM 1443 CD GLU A 92 7.479 -15.257 -12.802 1.00 0.00 C ATOM 1444 OE1 GLU A 92 8.727 -15.229 -12.882 1.00 0.00 O ATOM 1445 OE2 GLU A 92 6.903 -16.043 -12.018 1.00 0.00 O ATOM 0 H GLU A 92 6.249 -10.523 -12.239 1.00 0.00 H new ATOM 0 HA GLU A 92 6.245 -11.857 -14.784 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.614 -12.516 -12.774 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.135 -12.975 -11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.637 -14.640 -13.743 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.078 -14.157 -14.615 1.00 0.00 H new ATOM 1452 N MET A 93 3.523 -11.982 -12.884 1.00 0.00 N ATOM 1453 CA MET A 93 2.112 -12.370 -12.879 1.00 0.00 C ATOM 1454 C MET A 93 1.301 -11.604 -13.928 1.00 0.00 C ATOM 1455 O MET A 93 0.393 -12.181 -14.529 1.00 0.00 O ATOM 1456 CB MET A 93 1.480 -12.128 -11.501 1.00 0.00 C ATOM 1457 CG MET A 93 2.016 -13.072 -10.419 1.00 0.00 C ATOM 1458 SD MET A 93 1.066 -13.054 -8.870 1.00 0.00 S ATOM 1459 CE MET A 93 1.219 -11.313 -8.388 1.00 0.00 C ATOM 0 H MET A 93 3.822 -11.488 -12.043 1.00 0.00 H new ATOM 0 HA MET A 93 2.086 -13.433 -13.120 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.665 -11.097 -11.199 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.399 -12.249 -11.577 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.026 -14.088 -10.813 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.050 -12.805 -10.200 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.700 -11.150 -7.443 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.273 -11.059 -8.272 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.776 -10.682 -9.158 1.00 0.00 H new ATOM 1469 N ALA A 94 1.610 -10.320 -14.139 1.00 0.00 N ATOM 1470 CA ALA A 94 0.822 -9.445 -14.994 1.00 0.00 C ATOM 1471 C ALA A 94 1.743 -8.509 -15.787 1.00 0.00 C ATOM 1472 O ALA A 94 1.912 -7.349 -15.401 1.00 0.00 O ATOM 1473 CB ALA A 94 -0.199 -8.673 -14.141 1.00 0.00 C ATOM 0 H ALA A 94 2.418 -9.863 -13.717 1.00 0.00 H new ATOM 0 HA ALA A 94 0.267 -10.038 -15.720 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.788 -8.018 -14.783 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.860 -9.378 -13.638 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.327 -8.074 -13.397 1.00 0.00 H new ATOM 1479 N PRO A 95 2.364 -8.972 -16.889 1.00 0.00 N ATOM 1480 CA PRO A 95 3.082 -8.115 -17.829 1.00 0.00 C ATOM 1481 C PRO A 95 2.266 -6.907 -18.327 1.00 0.00 C ATOM 1482 O PRO A 95 2.849 -5.912 -18.751 1.00 0.00 O ATOM 1483 CB PRO A 95 3.494 -9.021 -18.992 1.00 0.00 C ATOM 1484 CG PRO A 95 3.520 -10.419 -18.379 1.00 0.00 C ATOM 1485 CD PRO A 95 2.424 -10.360 -17.320 1.00 0.00 C ATOM 0 HA PRO A 95 3.939 -7.665 -17.328 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.784 -8.960 -19.817 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.469 -8.741 -19.390 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.318 -11.188 -19.124 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.491 -10.647 -17.940 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.467 -10.684 -17.729 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.653 -11.020 -16.483 1.00 0.00 H new ATOM 1493 N GLU A 96 0.932 -6.949 -18.242 1.00 0.00 N ATOM 1494 CA GLU A 96 0.062 -5.797 -18.501 1.00 0.00 C ATOM 1495 C GLU A 96 0.447 -4.582 -17.652 1.00 0.00 C ATOM 1496 O GLU A 96 0.311 -3.433 -18.074 1.00 0.00 O ATOM 1497 CB GLU A 96 -1.390 -6.172 -18.147 1.00 0.00 C ATOM 1498 CG GLU A 96 -1.896 -7.406 -18.899 1.00 0.00 C ATOM 1499 CD GLU A 96 -1.783 -8.714 -18.108 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -0.655 -9.206 -17.901 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -2.817 -9.312 -17.744 1.00 0.00 O ATOM 0 H GLU A 96 0.420 -7.794 -17.988 1.00 0.00 H new ATOM 0 HA GLU A 96 0.169 -5.539 -19.555 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.460 -6.354 -17.075 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.041 -5.327 -18.370 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.939 -7.249 -19.172 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.335 -7.507 -19.828 1.00 0.00 H new ATOM 1508 N MET A 97 0.920 -4.871 -16.443 1.00 0.00 N ATOM 1509 CA MET A 97 1.159 -3.918 -15.369 1.00 0.00 C ATOM 1510 C MET A 97 2.653 -3.765 -15.033 1.00 0.00 C ATOM 1511 O MET A 97 3.002 -2.898 -14.230 1.00 0.00 O ATOM 1512 CB MET A 97 0.314 -4.383 -14.169 1.00 0.00 C ATOM 1513 CG MET A 97 0.273 -3.418 -12.981 1.00 0.00 C ATOM 1514 SD MET A 97 -0.260 -1.713 -13.316 1.00 0.00 S ATOM 1515 CE MET A 97 -2.011 -1.959 -13.710 1.00 0.00 C ATOM 0 H MET A 97 1.158 -5.826 -16.175 1.00 0.00 H new ATOM 0 HA MET A 97 0.858 -2.916 -15.673 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.707 -4.556 -14.510 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.701 -5.342 -13.823 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.392 -3.838 -12.227 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.270 -3.380 -12.541 1.00 0.00 H new ATOM 0 HE1 MET A 97 -2.463 -1.002 -13.972 1.00 0.00 H new ATOM 0 HE2 MET A 97 -2.102 -2.646 -14.551 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.524 -2.377 -12.844 1.00 0.00 H new ATOM 1525 N ARG A 98 3.566 -4.552 -15.629 1.00 0.00 N ATOM 1526 CA ARG A 98 4.997 -4.373 -15.349 1.00 0.00 C ATOM 1527 C ARG A 98 5.433 -2.952 -15.715 1.00 0.00 C ATOM 1528 O ARG A 98 4.934 -2.377 -16.685 1.00 0.00 O ATOM 1529 CB ARG A 98 5.888 -5.463 -15.973 1.00 0.00 C ATOM 1530 CG ARG A 98 6.060 -5.451 -17.500 1.00 0.00 C ATOM 1531 CD ARG A 98 7.077 -6.502 -17.977 1.00 0.00 C ATOM 1532 NE ARG A 98 6.784 -7.866 -17.487 1.00 0.00 N ATOM 1533 CZ ARG A 98 7.416 -8.984 -17.867 1.00 0.00 C ATOM 1534 NH1 ARG A 98 8.344 -8.956 -18.819 1.00 0.00 N ATOM 1535 NH2 ARG A 98 7.103 -10.128 -17.270 1.00 0.00 N ATOM 0 H ARG A 98 3.346 -5.298 -16.289 1.00 0.00 H new ATOM 0 HA ARG A 98 5.139 -4.500 -14.276 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.878 -5.387 -15.523 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.482 -6.433 -15.688 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.097 -5.638 -17.974 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.386 -4.461 -17.820 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.095 -6.511 -19.067 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.073 -6.210 -17.644 1.00 0.00 H new ATOM 0 HE ARG A 98 6.036 -7.964 -16.800 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.584 -8.074 -19.272 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.816 -9.817 -19.097 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.393 -10.144 -16.537 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.572 -10.991 -17.544 1.00 0.00 H new ATOM 1549 N GLY A 99 6.328 -2.368 -14.920 1.00 0.00 N ATOM 1550 CA GLY A 99 6.781 -0.988 -15.072 1.00 0.00 C ATOM 1551 C GLY A 99 5.781 0.033 -14.516 1.00 0.00 C ATOM 1552 O GLY A 99 6.202 1.020 -13.911 1.00 0.00 O ATOM 0 H GLY A 99 6.767 -2.852 -14.136 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.737 -0.867 -14.563 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.954 -0.782 -16.128 1.00 0.00 H new ATOM 1556 N LYS A 100 4.469 -0.195 -14.667 1.00 0.00 N ATOM 1557 CA LYS A 100 3.441 0.626 -14.017 1.00 0.00 C ATOM 1558 C LYS A 100 3.361 0.306 -12.523 1.00 0.00 C ATOM 1559 O LYS A 100 3.065 1.203 -11.735 1.00 0.00 O ATOM 1560 CB LYS A 100 2.074 0.418 -14.685 1.00 0.00 C ATOM 1561 CG LYS A 100 1.994 1.033 -16.091 1.00 0.00 C ATOM 1562 CD LYS A 100 0.642 0.776 -16.776 1.00 0.00 C ATOM 1563 CE LYS A 100 -0.533 1.456 -16.051 1.00 0.00 C ATOM 1564 NZ LYS A 100 -1.809 1.305 -16.792 1.00 0.00 N ATOM 0 H LYS A 100 4.093 -0.950 -15.240 1.00 0.00 H new ATOM 0 HA LYS A 100 3.721 1.673 -14.131 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.866 -0.650 -14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.298 0.857 -14.058 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.164 2.108 -16.023 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.793 0.623 -16.708 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.686 1.136 -17.804 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.462 -0.298 -16.822 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.640 1.028 -15.054 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.313 2.516 -15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.570 1.792 -16.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.711 1.721 -17.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.042 0.295 -16.880 1.00 0.00 H new ATOM 1578 N VAL A 101 3.634 -0.938 -12.117 1.00 0.00 N ATOM 1579 CA VAL A 101 3.795 -1.262 -10.706 1.00 0.00 C ATOM 1580 C VAL A 101 5.106 -0.627 -10.220 1.00 0.00 C ATOM 1581 O VAL A 101 6.083 -0.553 -10.971 1.00 0.00 O ATOM 1582 CB VAL A 101 3.714 -2.788 -10.477 1.00 0.00 C ATOM 1583 CG1 VAL A 101 4.741 -3.601 -11.279 1.00 0.00 C ATOM 1584 CG2 VAL A 101 3.832 -3.161 -8.992 1.00 0.00 C ATOM 0 H VAL A 101 3.747 -1.732 -12.748 1.00 0.00 H new ATOM 0 HA VAL A 101 2.981 -0.847 -10.112 1.00 0.00 H new ATOM 0 HB VAL A 101 2.724 -3.055 -10.845 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.616 -4.662 -11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.589 -3.430 -12.345 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.748 -3.290 -11.002 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.769 -4.244 -8.883 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.789 -2.812 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.022 -2.693 -8.434 1.00 0.00 H new ATOM 1594 N MET A 102 5.130 -0.188 -8.961 1.00 0.00 N ATOM 1595 CA MET A 102 6.325 0.353 -8.315 1.00 0.00 C ATOM 1596 C MET A 102 6.182 0.152 -6.807 1.00 0.00 C ATOM 1597 O MET A 102 5.139 -0.333 -6.356 1.00 0.00 O ATOM 1598 CB MET A 102 6.509 1.833 -8.695 1.00 0.00 C ATOM 1599 CG MET A 102 5.377 2.755 -8.219 1.00 0.00 C ATOM 1600 SD MET A 102 5.461 4.419 -8.934 1.00 0.00 S ATOM 1601 CE MET A 102 4.785 4.085 -10.585 1.00 0.00 C ATOM 0 H MET A 102 4.310 -0.199 -8.354 1.00 0.00 H new ATOM 0 HA MET A 102 7.221 -0.168 -8.653 1.00 0.00 H new ATOM 0 HB2 MET A 102 7.451 2.189 -8.277 1.00 0.00 H new ATOM 0 HB3 MET A 102 6.592 1.910 -9.779 1.00 0.00 H new ATOM 0 HG2 MET A 102 4.418 2.304 -8.476 1.00 0.00 H new ATOM 0 HG3 MET A 102 5.412 2.832 -7.132 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.649 5.025 -11.119 1.00 0.00 H new ATOM 0 HE2 MET A 102 5.476 3.449 -11.139 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.824 3.579 -10.489 1.00 0.00 H new ATOM 1611 N LEU A 103 7.198 0.521 -6.020 1.00 0.00 N ATOM 1612 CA LEU A 103 7.071 0.505 -4.564 1.00 0.00 C ATOM 1613 C LEU A 103 6.584 1.856 -4.051 1.00 0.00 C ATOM 1614 O LEU A 103 6.824 2.897 -4.658 1.00 0.00 O ATOM 1615 CB LEU A 103 8.330 0.007 -3.829 1.00 0.00 C ATOM 1616 CG LEU A 103 9.721 0.455 -4.306 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.978 1.947 -4.120 1.00 0.00 C ATOM 1618 CD2 LEU A 103 10.774 -0.331 -3.518 1.00 0.00 C ATOM 0 H LEU A 103 8.107 0.831 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 103 6.312 -0.240 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.234 0.302 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.312 -1.083 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 103 9.777 0.259 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.978 2.191 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.241 2.517 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.899 2.201 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.770 -0.029 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.660 -0.126 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.642 -1.398 -3.699 1.00 0.00 H new ATOM 1630 N PHE A 104 5.909 1.831 -2.903 1.00 0.00 N ATOM 1631 CA PHE A 104 5.289 3.014 -2.326 1.00 0.00 C ATOM 1632 C PHE A 104 6.328 4.070 -1.936 1.00 0.00 C ATOM 1633 O PHE A 104 6.061 5.265 -2.069 1.00 0.00 O ATOM 1634 CB PHE A 104 4.432 2.575 -1.124 1.00 0.00 C ATOM 1635 CG PHE A 104 3.361 3.552 -0.676 1.00 0.00 C ATOM 1636 CD1 PHE A 104 2.553 4.191 -1.633 1.00 0.00 C ATOM 1637 CD2 PHE A 104 3.106 3.761 0.695 1.00 0.00 C ATOM 1638 CE1 PHE A 104 1.503 5.025 -1.236 1.00 0.00 C ATOM 1639 CE2 PHE A 104 2.045 4.596 1.095 1.00 0.00 C ATOM 1640 CZ PHE A 104 1.229 5.210 0.125 1.00 0.00 C ATOM 0 H PHE A 104 5.779 0.985 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 104 4.651 3.490 -3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.951 1.629 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.096 2.383 -0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.745 4.036 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.725 3.281 1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.902 5.527 -1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.857 4.765 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.393 5.822 0.430 1.00 0.00 H new ATOM 1650 N GLY A 105 7.529 3.629 -1.546 1.00 0.00 N ATOM 1651 CA GLY A 105 8.633 4.509 -1.176 1.00 0.00 C ATOM 1652 C GLY A 105 9.385 5.088 -2.378 1.00 0.00 C ATOM 1653 O GLY A 105 10.473 5.627 -2.192 1.00 0.00 O ATOM 0 H GLY A 105 7.760 2.638 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.246 5.329 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.334 3.955 -0.552 1.00 0.00 H new ATOM 1657 N HIS A 106 8.853 4.963 -3.603 1.00 0.00 N ATOM 1658 CA HIS A 106 9.422 5.512 -4.839 1.00 0.00 C ATOM 1659 C HIS A 106 10.018 6.918 -4.664 1.00 0.00 C ATOM 1660 O HIS A 106 11.176 7.137 -5.028 1.00 0.00 O ATOM 1661 CB HIS A 106 8.339 5.497 -5.929 1.00 0.00 C ATOM 1662 CG HIS A 106 8.719 6.221 -7.198 1.00 0.00 C ATOM 1663 ND1 HIS A 106 9.681 5.839 -8.108 1.00 0.00 N ATOM 1664 CD2 HIS A 106 8.175 7.393 -7.654 1.00 0.00 C ATOM 1665 CE1 HIS A 106 9.715 6.760 -9.087 1.00 0.00 C ATOM 1666 NE2 HIS A 106 8.813 7.734 -8.855 1.00 0.00 N ATOM 0 H HIS A 106 7.982 4.457 -3.764 1.00 0.00 H new ATOM 0 HA HIS A 106 10.261 4.881 -5.133 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.102 4.462 -6.173 1.00 0.00 H new ATOM 0 HB3 HIS A 106 7.431 5.946 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 106 7.390 7.957 -7.172 1.00 0.00 H new ATOM 0 HE1 HIS A 106 10.374 6.724 -9.942 1.00 0.00 H new ATOM 0 HE2 HIS A 106 8.631 8.553 -9.435 1.00 0.00 H new ATOM 1674 N TRP A 107 9.259 7.854 -4.085 1.00 0.00 N ATOM 1675 CA TRP A 107 9.697 9.245 -3.943 1.00 0.00 C ATOM 1676 C TRP A 107 10.883 9.385 -2.986 1.00 0.00 C ATOM 1677 O TRP A 107 11.676 10.319 -3.115 1.00 0.00 O ATOM 1678 CB TRP A 107 8.542 10.103 -3.422 1.00 0.00 C ATOM 1679 CG TRP A 107 7.212 9.853 -4.059 1.00 0.00 C ATOM 1680 CD1 TRP A 107 6.217 9.132 -3.502 1.00 0.00 C ATOM 1681 CD2 TRP A 107 6.714 10.281 -5.366 1.00 0.00 C ATOM 1682 NE1 TRP A 107 5.150 9.086 -4.363 1.00 0.00 N ATOM 1683 CE2 TRP A 107 5.393 9.769 -5.529 1.00 0.00 C ATOM 1684 CE3 TRP A 107 7.239 11.038 -6.436 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 4.631 9.995 -6.683 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 6.481 11.281 -7.598 1.00 0.00 C ATOM 1687 CH2 TRP A 107 5.177 10.764 -7.721 1.00 0.00 C ATOM 0 H TRP A 107 8.331 7.670 -3.704 1.00 0.00 H new ATOM 0 HA TRP A 107 10.014 9.583 -4.930 1.00 0.00 H new ATOM 0 HB2 TRP A 107 8.447 9.939 -2.349 1.00 0.00 H new ATOM 0 HB3 TRP A 107 8.801 11.152 -3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 107 6.255 8.664 -2.529 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.276 8.600 -4.160 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.240 11.438 -6.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 3.637 9.583 -6.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 6.903 11.868 -8.400 1.00 0.00 H new ATOM 0 HH2 TRP A 107 4.599 10.959 -8.612 1.00 0.00 H new ATOM 1698 N ASP A 108 11.016 8.457 -2.037 1.00 0.00 N ATOM 1699 CA ASP A 108 12.081 8.458 -1.041 1.00 0.00 C ATOM 1700 C ASP A 108 13.278 7.700 -1.600 1.00 0.00 C ATOM 1701 O ASP A 108 13.764 6.743 -1.001 1.00 0.00 O ATOM 1702 CB ASP A 108 11.550 7.869 0.275 1.00 0.00 C ATOM 1703 CG ASP A 108 12.542 8.043 1.430 1.00 0.00 C ATOM 1704 OD1 ASP A 108 13.164 9.123 1.552 1.00 0.00 O ATOM 1705 OD2 ASP A 108 12.573 7.180 2.335 1.00 0.00 O ATOM 0 H ASP A 108 10.373 7.671 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 108 12.414 9.472 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.607 8.352 0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 108 11.338 6.809 0.137 1.00 0.00 H new ATOM 1710 N ASN A 109 13.717 8.126 -2.792 1.00 0.00 N ATOM 1711 CA ASN A 109 14.845 7.531 -3.506 1.00 0.00 C ATOM 1712 C ASN A 109 14.690 6.003 -3.620 1.00 0.00 C ATOM 1713 O ASN A 109 15.595 5.236 -3.288 1.00 0.00 O ATOM 1714 CB ASN A 109 16.149 8.010 -2.849 1.00 0.00 C ATOM 1715 CG ASN A 109 17.400 7.473 -3.528 1.00 0.00 C ATOM 1716 OD1 ASN A 109 17.493 7.380 -4.750 1.00 0.00 O ATOM 1717 ND2 ASN A 109 18.398 7.138 -2.729 1.00 0.00 N ATOM 0 H ASN A 109 13.289 8.906 -3.291 1.00 0.00 H new ATOM 0 HA ASN A 109 14.874 7.867 -4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 109 16.176 9.100 -2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 109 16.153 7.705 -1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 109 19.273 6.792 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 109 18.293 7.225 -1.718 1.00 0.00 H new ATOM 1724 N GLU A 110 13.493 5.590 -4.059 1.00 0.00 N ATOM 1725 CA GLU A 110 13.080 4.190 -4.203 1.00 0.00 C ATOM 1726 C GLU A 110 13.407 3.279 -3.007 1.00 0.00 C ATOM 1727 O GLU A 110 13.722 2.096 -3.183 1.00 0.00 O ATOM 1728 CB GLU A 110 13.469 3.625 -5.587 1.00 0.00 C ATOM 1729 CG GLU A 110 14.977 3.469 -5.845 1.00 0.00 C ATOM 1730 CD GLU A 110 15.246 2.592 -7.079 1.00 0.00 C ATOM 1731 OE1 GLU A 110 15.276 1.348 -6.931 1.00 0.00 O ATOM 1732 OE2 GLU A 110 15.442 3.131 -8.192 1.00 0.00 O ATOM 0 H GLU A 110 12.761 6.246 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 110 11.990 4.195 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.996 2.650 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.053 4.277 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.427 4.451 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.454 3.026 -4.971 1.00 0.00 H new ATOM 1739 N CYS A 111 13.327 3.825 -1.791 1.00 0.00 N ATOM 1740 CA CYS A 111 13.558 3.060 -0.575 1.00 0.00 C ATOM 1741 C CYS A 111 12.467 1.996 -0.419 1.00 0.00 C ATOM 1742 O CYS A 111 11.276 2.285 -0.562 1.00 0.00 O ATOM 1743 CB CYS A 111 13.590 4.000 0.639 1.00 0.00 C ATOM 1744 SG CYS A 111 14.229 3.151 2.112 1.00 0.00 S ATOM 0 H CYS A 111 13.101 4.806 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 111 14.523 2.557 -0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 111 14.214 4.865 0.416 1.00 0.00 H new ATOM 0 HB3 CYS A 111 12.586 4.374 0.839 1.00 0.00 H new ATOM 0 HG CYS A 111 13.487 2.115 2.372 1.00 0.00 H new ATOM 1750 N GLU A 112 12.881 0.771 -0.102 1.00 0.00 N ATOM 1751 CA GLU A 112 11.969 -0.289 0.300 1.00 0.00 C ATOM 1752 C GLU A 112 11.549 -0.074 1.762 1.00 0.00 C ATOM 1753 O GLU A 112 12.165 0.715 2.486 1.00 0.00 O ATOM 1754 CB GLU A 112 12.606 -1.672 0.065 1.00 0.00 C ATOM 1755 CG GLU A 112 13.911 -1.965 0.829 1.00 0.00 C ATOM 1756 CD GLU A 112 15.165 -1.431 0.111 1.00 0.00 C ATOM 1757 OE1 GLU A 112 15.488 -0.230 0.256 1.00 0.00 O ATOM 1758 OE2 GLU A 112 15.844 -2.214 -0.590 1.00 0.00 O ATOM 0 H GLU A 112 13.861 0.488 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 112 11.069 -0.255 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.875 -2.435 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.803 -1.780 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 112 13.851 -1.520 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.010 -3.042 0.968 1.00 0.00 H new ATOM 1765 N ILE A 113 10.505 -0.781 2.198 1.00 0.00 N ATOM 1766 CA ILE A 113 9.883 -0.552 3.503 1.00 0.00 C ATOM 1767 C ILE A 113 9.896 -1.889 4.270 1.00 0.00 C ATOM 1768 O ILE A 113 9.521 -2.906 3.678 1.00 0.00 O ATOM 1769 CB ILE A 113 8.456 0.007 3.293 1.00 0.00 C ATOM 1770 CG1 ILE A 113 8.459 1.281 2.406 1.00 0.00 C ATOM 1771 CG2 ILE A 113 7.737 0.271 4.626 1.00 0.00 C ATOM 1772 CD1 ILE A 113 7.084 1.919 2.169 1.00 0.00 C ATOM 0 H ILE A 113 10.068 -1.527 1.657 1.00 0.00 H new ATOM 0 HA ILE A 113 10.427 0.185 4.093 1.00 0.00 H new ATOM 0 HB ILE A 113 7.897 -0.765 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.111 2.023 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.896 1.030 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.739 0.663 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.658 -0.660 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.304 0.998 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.196 2.801 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.430 1.201 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.648 2.209 3.125 1.00 0.00 H new ATOM 1784 N PRO A 114 10.306 -1.919 5.555 1.00 0.00 N ATOM 1785 CA PRO A 114 10.221 -3.107 6.408 1.00 0.00 C ATOM 1786 C PRO A 114 8.790 -3.644 6.533 1.00 0.00 C ATOM 1787 O PRO A 114 7.827 -2.895 6.347 1.00 0.00 O ATOM 1788 CB PRO A 114 10.737 -2.675 7.788 1.00 0.00 C ATOM 1789 CG PRO A 114 11.564 -1.425 7.509 1.00 0.00 C ATOM 1790 CD PRO A 114 10.857 -0.802 6.309 1.00 0.00 C ATOM 0 HA PRO A 114 10.809 -3.916 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 114 9.915 -2.463 8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 114 11.341 -3.456 8.249 1.00 0.00 H new ATOM 0 HG2 PRO A 114 11.576 -0.750 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 114 12.602 -1.671 7.283 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.070 -0.119 6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.553 -0.224 5.701 1.00 0.00 H new ATOM 1798 N ASP A 115 8.638 -4.908 6.942 1.00 0.00 N ATOM 1799 CA ASP A 115 7.335 -5.499 7.251 1.00 0.00 C ATOM 1800 C ASP A 115 7.212 -5.701 8.766 1.00 0.00 C ATOM 1801 O ASP A 115 8.146 -6.243 9.366 1.00 0.00 O ATOM 1802 CB ASP A 115 7.146 -6.844 6.543 1.00 0.00 C ATOM 1803 CG ASP A 115 5.665 -7.234 6.621 1.00 0.00 C ATOM 1804 OD1 ASP A 115 5.258 -7.842 7.633 1.00 0.00 O ATOM 1805 OD2 ASP A 115 4.920 -6.862 5.684 1.00 0.00 O ATOM 0 H ASP A 115 9.420 -5.551 7.068 1.00 0.00 H new ATOM 0 HA ASP A 115 6.562 -4.817 6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.464 -6.772 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.764 -7.609 7.013 1.00 0.00 H new ATOM 1810 N PRO A 116 6.116 -5.267 9.413 1.00 0.00 N ATOM 1811 CA PRO A 116 5.990 -5.336 10.861 1.00 0.00 C ATOM 1812 C PRO A 116 5.523 -6.709 11.367 1.00 0.00 C ATOM 1813 O PRO A 116 5.668 -6.955 12.561 1.00 0.00 O ATOM 1814 CB PRO A 116 4.967 -4.252 11.211 1.00 0.00 C ATOM 1815 CG PRO A 116 4.030 -4.263 10.004 1.00 0.00 C ATOM 1816 CD PRO A 116 4.974 -4.571 8.839 1.00 0.00 C ATOM 0 HA PRO A 116 6.958 -5.185 11.339 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.437 -4.480 12.136 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.440 -3.279 11.346 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.252 -5.020 10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.528 -3.304 9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.479 -5.188 8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.288 -3.654 8.340 1.00 0.00 H new ATOM 1824 N TYR A 117 4.986 -7.585 10.503 1.00 0.00 N ATOM 1825 CA TYR A 117 4.297 -8.840 10.800 1.00 0.00 C ATOM 1826 C TYR A 117 3.598 -8.875 12.169 1.00 0.00 C ATOM 1827 O TYR A 117 2.431 -8.499 12.251 1.00 0.00 O ATOM 1828 CB TYR A 117 5.222 -10.044 10.556 1.00 0.00 C ATOM 1829 CG TYR A 117 4.560 -11.388 10.821 1.00 0.00 C ATOM 1830 CD1 TYR A 117 3.276 -11.663 10.306 1.00 0.00 C ATOM 1831 CD2 TYR A 117 5.213 -12.352 11.615 1.00 0.00 C ATOM 1832 CE1 TYR A 117 2.650 -12.893 10.574 1.00 0.00 C ATOM 1833 CE2 TYR A 117 4.592 -13.583 11.888 1.00 0.00 C ATOM 1834 CZ TYR A 117 3.308 -13.862 11.369 1.00 0.00 C ATOM 1835 OH TYR A 117 2.716 -15.058 11.644 1.00 0.00 O ATOM 0 H TYR A 117 5.029 -7.415 9.498 1.00 0.00 H new ATOM 0 HA TYR A 117 3.470 -8.910 10.093 1.00 0.00 H new ATOM 0 HB2 TYR A 117 5.572 -10.019 9.524 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.101 -9.950 11.193 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.771 -10.924 9.702 1.00 0.00 H new ATOM 0 HD2 TYR A 117 6.194 -12.144 12.015 1.00 0.00 H new ATOM 0 HE1 TYR A 117 1.668 -13.098 10.174 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.098 -14.318 12.496 1.00 0.00 H new ATOM 0 HH TYR A 117 3.314 -15.598 12.202 1.00 0.00 H new ATOM 1845 N ARG A 118 4.290 -9.333 13.222 1.00 0.00 N ATOM 1846 CA ARG A 118 3.747 -9.437 14.583 1.00 0.00 C ATOM 1847 C ARG A 118 4.790 -8.945 15.601 1.00 0.00 C ATOM 1848 O ARG A 118 4.792 -9.376 16.757 1.00 0.00 O ATOM 1849 CB ARG A 118 3.305 -10.896 14.846 1.00 0.00 C ATOM 1850 CG ARG A 118 2.138 -11.419 13.983 1.00 0.00 C ATOM 1851 CD ARG A 118 0.720 -11.096 14.483 1.00 0.00 C ATOM 1852 NE ARG A 118 0.403 -9.658 14.562 1.00 0.00 N ATOM 1853 CZ ARG A 118 0.464 -8.869 15.640 1.00 0.00 C ATOM 1854 NH1 ARG A 118 0.911 -9.316 16.813 1.00 0.00 N ATOM 1855 NH2 ARG A 118 0.085 -7.610 15.524 1.00 0.00 N ATOM 0 H ARG A 118 5.258 -9.646 13.150 1.00 0.00 H new ATOM 0 HA ARG A 118 2.869 -8.800 14.692 1.00 0.00 H new ATOM 0 HB2 ARG A 118 4.165 -11.548 14.691 1.00 0.00 H new ATOM 0 HB3 ARG A 118 3.022 -10.985 15.895 1.00 0.00 H new ATOM 0 HG2 ARG A 118 2.247 -11.012 12.978 1.00 0.00 H new ATOM 0 HG3 ARG A 118 2.233 -12.502 13.900 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -0.001 -11.577 13.822 1.00 0.00 H new ATOM 0 HD3 ARG A 118 0.589 -11.537 15.471 1.00 0.00 H new ATOM 0 HE ARG A 118 0.103 -9.214 13.694 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.218 -10.284 16.906 1.00 0.00 H new ATOM 0 HH12 ARG A 118 0.946 -8.690 17.618 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.246 -7.258 14.626 1.00 0.00 H new ATOM 0 HH22 ARG A 118 0.123 -6.989 16.333 1.00 0.00 H new ATOM 1869 N LYS A 119 5.722 -8.097 15.154 1.00 0.00 N ATOM 1870 CA LYS A 119 6.801 -7.562 15.983 1.00 0.00 C ATOM 1871 C LYS A 119 6.253 -6.514 16.963 1.00 0.00 C ATOM 1872 O LYS A 119 5.042 -6.293 17.049 1.00 0.00 O ATOM 1873 CB LYS A 119 7.906 -6.991 15.068 1.00 0.00 C ATOM 1874 CG LYS A 119 8.578 -8.090 14.219 1.00 0.00 C ATOM 1875 CD LYS A 119 9.644 -7.554 13.250 1.00 0.00 C ATOM 1876 CE LYS A 119 10.808 -6.798 13.919 1.00 0.00 C ATOM 1877 NZ LYS A 119 11.671 -7.675 14.752 1.00 0.00 N ATOM 0 H LYS A 119 5.746 -7.760 14.192 1.00 0.00 H new ATOM 0 HA LYS A 119 7.240 -8.356 16.587 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.477 -6.236 14.410 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.659 -6.492 15.677 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.038 -8.821 14.884 1.00 0.00 H new ATOM 0 HG3 LYS A 119 7.812 -8.616 13.649 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.052 -8.391 12.683 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.162 -6.888 12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.417 -6.325 13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.405 -5.999 14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.435 -7.110 15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.101 -8.107 15.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.082 -8.423 14.158 1.00 0.00 H new ATOM 1891 N SER A 120 7.155 -5.893 17.721 1.00 0.00 N ATOM 1892 CA SER A 120 6.809 -4.953 18.778 1.00 0.00 C ATOM 1893 C SER A 120 6.048 -3.734 18.239 1.00 0.00 C ATOM 1894 O SER A 120 6.155 -3.376 17.061 1.00 0.00 O ATOM 1895 CB SER A 120 8.111 -4.517 19.468 1.00 0.00 C ATOM 1896 OG SER A 120 8.912 -5.646 19.794 1.00 0.00 O ATOM 0 H SER A 120 8.160 -6.033 17.614 1.00 0.00 H new ATOM 0 HA SER A 120 6.143 -5.442 19.488 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.668 -3.847 18.813 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.878 -3.957 20.374 1.00 0.00 H new ATOM 0 HG SER A 120 9.737 -5.347 20.231 1.00 0.00 H new ATOM 1902 N ARG A 121 5.325 -3.045 19.129 1.00 0.00 N ATOM 1903 CA ARG A 121 4.565 -1.839 18.779 1.00 0.00 C ATOM 1904 C ARG A 121 5.476 -0.763 18.179 1.00 0.00 C ATOM 1905 O ARG A 121 5.051 -0.037 17.285 1.00 0.00 O ATOM 1906 CB ARG A 121 3.813 -1.305 20.016 1.00 0.00 C ATOM 1907 CG ARG A 121 2.780 -2.314 20.557 1.00 0.00 C ATOM 1908 CD ARG A 121 2.104 -1.877 21.864 1.00 0.00 C ATOM 1909 NE ARG A 121 1.233 -0.696 21.710 1.00 0.00 N ATOM 1910 CZ ARG A 121 -0.057 -0.692 21.343 1.00 0.00 C ATOM 1911 NH1 ARG A 121 -0.660 -1.803 20.915 1.00 0.00 N ATOM 1912 NH2 ARG A 121 -0.746 0.443 21.409 1.00 0.00 N ATOM 0 H ARG A 121 5.250 -3.307 20.112 1.00 0.00 H new ATOM 0 HA ARG A 121 3.832 -2.105 18.018 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.532 -1.069 20.801 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.307 -0.375 19.757 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.013 -2.474 19.799 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.274 -3.272 20.718 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.513 -2.706 22.253 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.872 -1.658 22.605 1.00 0.00 H new ATOM 0 HE ARG A 121 1.656 0.212 21.903 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.139 -2.678 20.862 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.642 -1.777 20.641 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.293 1.296 21.736 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.728 0.460 21.133 1.00 0.00 H new ATOM 1926 N GLU A 122 6.737 -0.696 18.616 1.00 0.00 N ATOM 1927 CA GLU A 122 7.715 0.238 18.065 1.00 0.00 C ATOM 1928 C GLU A 122 7.983 -0.053 16.582 1.00 0.00 C ATOM 1929 O GLU A 122 8.116 0.884 15.794 1.00 0.00 O ATOM 1930 CB GLU A 122 9.001 0.162 18.905 1.00 0.00 C ATOM 1931 CG GLU A 122 10.038 1.217 18.496 1.00 0.00 C ATOM 1932 CD GLU A 122 11.264 1.193 19.425 1.00 0.00 C ATOM 1933 OE1 GLU A 122 12.218 0.426 19.165 1.00 0.00 O ATOM 1934 OE2 GLU A 122 11.299 1.956 20.419 1.00 0.00 O ATOM 0 H GLU A 122 7.105 -1.288 19.361 1.00 0.00 H new ATOM 0 HA GLU A 122 7.321 1.253 18.114 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.751 0.293 19.958 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.439 -0.831 18.803 1.00 0.00 H new ATOM 0 HG2 GLU A 122 10.355 1.038 17.469 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.581 2.206 18.520 1.00 0.00 H new ATOM 1941 N THR A 123 8.014 -1.326 16.174 1.00 0.00 N ATOM 1942 CA THR A 123 8.198 -1.686 14.774 1.00 0.00 C ATOM 1943 C THR A 123 6.996 -1.201 13.961 1.00 0.00 C ATOM 1944 O THR A 123 7.173 -0.585 12.910 1.00 0.00 O ATOM 1945 CB THR A 123 8.376 -3.210 14.637 1.00 0.00 C ATOM 1946 OG1 THR A 123 9.245 -3.727 15.634 1.00 0.00 O ATOM 1947 CG2 THR A 123 8.929 -3.579 13.259 1.00 0.00 C ATOM 0 H THR A 123 7.913 -2.124 16.801 1.00 0.00 H new ATOM 0 HA THR A 123 9.098 -1.206 14.389 1.00 0.00 H new ATOM 0 HB THR A 123 7.388 -3.652 14.763 1.00 0.00 H new ATOM 0 HG1 THR A 123 8.764 -4.386 16.177 1.00 0.00 H new ATOM 0 HG21 THR A 123 9.044 -4.661 13.191 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.239 -3.238 12.487 1.00 0.00 H new ATOM 0 HG23 THR A 123 9.898 -3.101 13.116 1.00 0.00 H new ATOM 1955 N PHE A 124 5.774 -1.418 14.461 1.00 0.00 N ATOM 1956 CA PHE A 124 4.573 -0.926 13.798 1.00 0.00 C ATOM 1957 C PHE A 124 4.589 0.600 13.703 1.00 0.00 C ATOM 1958 O PHE A 124 4.197 1.131 12.667 1.00 0.00 O ATOM 1959 CB PHE A 124 3.313 -1.427 14.515 1.00 0.00 C ATOM 1960 CG PHE A 124 2.903 -2.835 14.132 1.00 0.00 C ATOM 1961 CD1 PHE A 124 3.429 -3.949 14.814 1.00 0.00 C ATOM 1962 CD2 PHE A 124 1.969 -3.029 13.096 1.00 0.00 C ATOM 1963 CE1 PHE A 124 2.997 -5.245 14.485 1.00 0.00 C ATOM 1964 CE2 PHE A 124 1.538 -4.325 12.770 1.00 0.00 C ATOM 1965 CZ PHE A 124 2.042 -5.430 13.473 1.00 0.00 C ATOM 0 H PHE A 124 5.596 -1.932 15.324 1.00 0.00 H new ATOM 0 HA PHE A 124 4.558 -1.320 12.782 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.481 -1.389 15.591 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.489 -0.748 14.296 1.00 0.00 H new ATOM 0 HD1 PHE A 124 4.166 -3.807 15.591 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.584 -2.180 12.551 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.400 -6.098 15.011 1.00 0.00 H new ATOM 0 HE2 PHE A 124 0.818 -4.471 11.978 1.00 0.00 H new ATOM 0 HZ PHE A 124 1.695 -6.424 13.235 1.00 0.00 H new ATOM 1975 N ALA A 125 5.061 1.313 14.729 1.00 0.00 N ATOM 1976 CA ALA A 125 5.141 2.770 14.702 1.00 0.00 C ATOM 1977 C ALA A 125 6.149 3.247 13.651 1.00 0.00 C ATOM 1978 O ALA A 125 5.856 4.183 12.902 1.00 0.00 O ATOM 1979 CB ALA A 125 5.506 3.298 16.093 1.00 0.00 C ATOM 0 H ALA A 125 5.396 0.896 15.597 1.00 0.00 H new ATOM 0 HA ALA A 125 4.165 3.167 14.423 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.564 4.386 16.065 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.743 2.993 16.810 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.471 2.891 16.395 1.00 0.00 H new ATOM 1985 N ALA A 126 7.317 2.602 13.558 1.00 0.00 N ATOM 1986 CA ALA A 126 8.326 2.933 12.558 1.00 0.00 C ATOM 1987 C ALA A 126 7.772 2.710 11.148 1.00 0.00 C ATOM 1988 O ALA A 126 7.874 3.598 10.299 1.00 0.00 O ATOM 1989 CB ALA A 126 9.586 2.092 12.795 1.00 0.00 C ATOM 0 H ALA A 126 7.585 1.836 14.176 1.00 0.00 H new ATOM 0 HA ALA A 126 8.591 3.986 12.650 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.337 2.343 12.046 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.981 2.301 13.789 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.337 1.034 12.719 1.00 0.00 H new ATOM 1995 N VAL A 127 7.141 1.556 10.914 1.00 0.00 N ATOM 1996 CA VAL A 127 6.514 1.247 9.637 1.00 0.00 C ATOM 1997 C VAL A 127 5.422 2.278 9.342 1.00 0.00 C ATOM 1998 O VAL A 127 5.425 2.837 8.248 1.00 0.00 O ATOM 1999 CB VAL A 127 6.016 -0.215 9.648 1.00 0.00 C ATOM 2000 CG1 VAL A 127 5.103 -0.549 8.461 1.00 0.00 C ATOM 2001 CG2 VAL A 127 7.214 -1.180 9.607 1.00 0.00 C ATOM 0 H VAL A 127 7.053 0.813 11.608 1.00 0.00 H new ATOM 0 HA VAL A 127 7.230 1.319 8.819 1.00 0.00 H new ATOM 0 HB VAL A 127 5.441 -0.331 10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.787 -1.590 8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.226 0.098 8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.646 -0.393 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 127 6.853 -2.209 9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.791 -1.005 8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.847 -1.011 10.478 1.00 0.00 H new ATOM 2011 N TYR A 128 4.537 2.595 10.294 1.00 0.00 N ATOM 2012 CA TYR A 128 3.479 3.578 10.082 1.00 0.00 C ATOM 2013 C TYR A 128 4.076 4.927 9.684 1.00 0.00 C ATOM 2014 O TYR A 128 3.580 5.559 8.757 1.00 0.00 O ATOM 2015 CB TYR A 128 2.594 3.717 11.333 1.00 0.00 C ATOM 2016 CG TYR A 128 1.388 4.622 11.126 1.00 0.00 C ATOM 2017 CD1 TYR A 128 1.541 6.023 11.125 1.00 0.00 C ATOM 2018 CD2 TYR A 128 0.119 4.064 10.875 1.00 0.00 C ATOM 2019 CE1 TYR A 128 0.453 6.861 10.826 1.00 0.00 C ATOM 2020 CE2 TYR A 128 -0.983 4.897 10.608 1.00 0.00 C ATOM 2021 CZ TYR A 128 -0.822 6.300 10.581 1.00 0.00 C ATOM 2022 OH TYR A 128 -1.902 7.091 10.322 1.00 0.00 O ATOM 0 H TYR A 128 4.537 2.178 11.225 1.00 0.00 H new ATOM 0 HA TYR A 128 2.847 3.227 9.266 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.249 2.728 11.636 1.00 0.00 H new ATOM 0 HB3 TYR A 128 3.196 4.109 12.153 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.503 6.457 11.356 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.009 2.992 10.888 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.590 7.931 10.783 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -1.954 4.463 10.423 1.00 0.00 H new ATOM 0 HH TYR A 128 -2.692 6.529 10.178 1.00 0.00 H new ATOM 2032 N THR A 129 5.150 5.364 10.345 1.00 0.00 N ATOM 2033 CA THR A 129 5.795 6.633 10.034 1.00 0.00 C ATOM 2034 C THR A 129 6.335 6.614 8.594 1.00 0.00 C ATOM 2035 O THR A 129 6.141 7.576 7.850 1.00 0.00 O ATOM 2036 CB THR A 129 6.897 6.912 11.077 1.00 0.00 C ATOM 2037 OG1 THR A 129 6.370 6.833 12.391 1.00 0.00 O ATOM 2038 CG2 THR A 129 7.512 8.306 10.913 1.00 0.00 C ATOM 0 H THR A 129 5.592 4.849 11.106 1.00 0.00 H new ATOM 0 HA THR A 129 5.073 7.448 10.088 1.00 0.00 H new ATOM 0 HB THR A 129 7.666 6.156 10.916 1.00 0.00 H new ATOM 0 HG1 THR A 129 6.232 5.893 12.632 1.00 0.00 H new ATOM 0 HG21 THR A 129 8.282 8.455 11.670 1.00 0.00 H new ATOM 0 HG22 THR A 129 7.956 8.394 9.921 1.00 0.00 H new ATOM 0 HG23 THR A 129 6.736 9.062 11.031 1.00 0.00 H new ATOM 2046 N LEU A 130 6.968 5.518 8.170 1.00 0.00 N ATOM 2047 CA LEU A 130 7.517 5.392 6.823 1.00 0.00 C ATOM 2048 C LEU A 130 6.398 5.328 5.773 1.00 0.00 C ATOM 2049 O LEU A 130 6.519 5.934 4.705 1.00 0.00 O ATOM 2050 CB LEU A 130 8.452 4.169 6.803 1.00 0.00 C ATOM 2051 CG LEU A 130 9.241 3.925 5.502 1.00 0.00 C ATOM 2052 CD1 LEU A 130 9.894 5.189 4.928 1.00 0.00 C ATOM 2053 CD2 LEU A 130 10.349 2.905 5.789 1.00 0.00 C ATOM 0 H LEU A 130 7.113 4.694 8.753 1.00 0.00 H new ATOM 0 HA LEU A 130 8.101 6.273 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.166 4.273 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.856 3.281 7.011 1.00 0.00 H new ATOM 0 HG LEU A 130 8.525 3.568 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.431 4.938 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.124 5.927 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.592 5.601 5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 130 10.918 2.720 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 130 11.014 3.297 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.904 1.972 6.134 1.00 0.00 H new ATOM 2065 N LEU A 131 5.280 4.663 6.080 1.00 0.00 N ATOM 2066 CA LEU A 131 4.086 4.673 5.241 1.00 0.00 C ATOM 2067 C LEU A 131 3.487 6.075 5.170 1.00 0.00 C ATOM 2068 O LEU A 131 3.057 6.476 4.095 1.00 0.00 O ATOM 2069 CB LEU A 131 3.027 3.684 5.765 1.00 0.00 C ATOM 2070 CG LEU A 131 3.099 2.308 5.088 1.00 0.00 C ATOM 2071 CD1 LEU A 131 4.404 1.565 5.360 1.00 0.00 C ATOM 2072 CD2 LEU A 131 1.941 1.434 5.571 1.00 0.00 C ATOM 0 H LEU A 131 5.181 4.100 6.925 1.00 0.00 H new ATOM 0 HA LEU A 131 4.387 4.362 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.155 3.560 6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 131 2.035 4.107 5.609 1.00 0.00 H new ATOM 0 HG LEU A 131 3.041 2.494 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.387 0.601 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 131 5.243 2.155 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 131 4.516 1.407 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.996 0.458 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.006 1.308 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.994 1.912 5.318 1.00 0.00 H new ATOM 2084 N GLU A 132 3.455 6.822 6.275 1.00 0.00 N ATOM 2085 CA GLU A 132 2.916 8.177 6.295 1.00 0.00 C ATOM 2086 C GLU A 132 3.769 9.090 5.417 1.00 0.00 C ATOM 2087 O GLU A 132 3.211 9.811 4.592 1.00 0.00 O ATOM 2088 CB GLU A 132 2.809 8.689 7.742 1.00 0.00 C ATOM 2089 CG GLU A 132 2.156 10.077 7.803 1.00 0.00 C ATOM 2090 CD GLU A 132 1.993 10.568 9.252 1.00 0.00 C ATOM 2091 OE1 GLU A 132 2.993 11.007 9.865 1.00 0.00 O ATOM 2092 OE2 GLU A 132 0.857 10.556 9.776 1.00 0.00 O ATOM 0 H GLU A 132 3.802 6.502 7.179 1.00 0.00 H new ATOM 0 HA GLU A 132 1.907 8.175 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.225 7.985 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.803 8.734 8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 132 2.763 10.789 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 132 1.180 10.041 7.319 1.00 0.00 H new ATOM 2099 N ARG A 133 5.103 9.021 5.522 1.00 0.00 N ATOM 2100 CA ARG A 133 5.995 9.764 4.621 1.00 0.00 C ATOM 2101 C ARG A 133 5.672 9.434 3.173 1.00 0.00 C ATOM 2102 O ARG A 133 5.458 10.340 2.370 1.00 0.00 O ATOM 2103 CB ARG A 133 7.476 9.441 4.877 1.00 0.00 C ATOM 2104 CG ARG A 133 8.003 10.045 6.180 1.00 0.00 C ATOM 2105 CD ARG A 133 9.493 9.742 6.392 1.00 0.00 C ATOM 2106 NE ARG A 133 10.352 10.371 5.366 1.00 0.00 N ATOM 2107 CZ ARG A 133 11.120 9.749 4.459 1.00 0.00 C ATOM 2108 NH1 ARG A 133 11.163 8.421 4.388 1.00 0.00 N ATOM 2109 NH2 ARG A 133 11.853 10.463 3.611 1.00 0.00 N ATOM 0 H ARG A 133 5.588 8.459 6.221 1.00 0.00 H new ATOM 0 HA ARG A 133 5.832 10.824 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 133 7.607 8.359 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 133 8.072 9.812 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.851 11.124 6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 133 7.430 9.652 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.795 10.094 7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.646 8.663 6.377 1.00 0.00 H new ATOM 0 HE ARG A 133 10.362 11.391 5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 133 10.606 7.858 5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 133 11.753 7.966 3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.831 11.482 3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.438 9.992 2.921 1.00 0.00 H new ATOM 2123 N SER A 134 5.610 8.143 2.857 1.00 0.00 N ATOM 2124 CA SER A 134 5.372 7.674 1.502 1.00 0.00 C ATOM 2125 C SER A 134 4.030 8.211 0.999 1.00 0.00 C ATOM 2126 O SER A 134 3.974 8.826 -0.065 1.00 0.00 O ATOM 2127 CB SER A 134 5.426 6.141 1.467 1.00 0.00 C ATOM 2128 OG SER A 134 6.663 5.660 1.968 1.00 0.00 O ATOM 0 H SER A 134 5.724 7.393 3.539 1.00 0.00 H new ATOM 0 HA SER A 134 6.150 8.047 0.836 1.00 0.00 H new ATOM 0 HB2 SER A 134 4.607 5.732 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.285 5.793 0.444 1.00 0.00 H new ATOM 0 HG SER A 134 6.710 5.822 2.933 1.00 0.00 H new ATOM 2134 N ALA A 135 2.963 8.060 1.787 1.00 0.00 N ATOM 2135 CA ALA A 135 1.631 8.516 1.413 1.00 0.00 C ATOM 2136 C ALA A 135 1.578 10.036 1.254 1.00 0.00 C ATOM 2137 O ALA A 135 0.900 10.527 0.353 1.00 0.00 O ATOM 2138 CB ALA A 135 0.610 8.060 2.460 1.00 0.00 C ATOM 0 H ALA A 135 3.003 7.616 2.704 1.00 0.00 H new ATOM 0 HA ALA A 135 1.385 8.074 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.384 8.405 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.613 6.972 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.873 8.479 3.431 1.00 0.00 H new ATOM 2144 N ARG A 136 2.296 10.791 2.091 1.00 0.00 N ATOM 2145 CA ARG A 136 2.343 12.245 1.983 1.00 0.00 C ATOM 2146 C ARG A 136 3.094 12.661 0.724 1.00 0.00 C ATOM 2147 O ARG A 136 2.689 13.616 0.070 1.00 0.00 O ATOM 2148 CB ARG A 136 2.993 12.825 3.250 1.00 0.00 C ATOM 2149 CG ARG A 136 2.734 14.331 3.396 1.00 0.00 C ATOM 2150 CD ARG A 136 3.219 14.810 4.769 1.00 0.00 C ATOM 2151 NE ARG A 136 2.856 16.217 5.017 1.00 0.00 N ATOM 2152 CZ ARG A 136 1.725 16.654 5.589 1.00 0.00 C ATOM 2153 NH1 ARG A 136 0.753 15.810 5.927 1.00 0.00 N ATOM 2154 NH2 ARG A 136 1.571 17.955 5.819 1.00 0.00 N ATOM 0 H ARG A 136 2.855 10.412 2.855 1.00 0.00 H new ATOM 0 HA ARG A 136 1.331 12.642 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.606 12.305 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 136 4.067 12.644 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.251 14.877 2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.670 14.539 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.787 14.181 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.301 14.697 4.832 1.00 0.00 H new ATOM 0 HE ARG A 136 3.529 16.926 4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.861 14.811 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.100 16.162 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.309 18.609 5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.714 18.298 6.254 1.00 0.00 H new ATOM 2168 N GLN A 137 4.156 11.950 0.347 1.00 0.00 N ATOM 2169 CA GLN A 137 4.879 12.210 -0.888 1.00 0.00 C ATOM 2170 C GLN A 137 4.012 11.850 -2.100 1.00 0.00 C ATOM 2171 O GLN A 137 3.993 12.601 -3.075 1.00 0.00 O ATOM 2172 CB GLN A 137 6.218 11.466 -0.874 1.00 0.00 C ATOM 2173 CG GLN A 137 7.178 12.092 0.152 1.00 0.00 C ATOM 2174 CD GLN A 137 8.448 11.272 0.378 1.00 0.00 C ATOM 2175 OE1 GLN A 137 8.422 10.052 0.512 1.00 0.00 O ATOM 2176 NE2 GLN A 137 9.592 11.935 0.445 1.00 0.00 N ATOM 0 H GLN A 137 4.536 11.177 0.893 1.00 0.00 H new ATOM 0 HA GLN A 137 5.102 13.274 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.054 10.416 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.668 11.498 -1.866 1.00 0.00 H new ATOM 0 HG2 GLN A 137 7.455 13.091 -0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 137 6.656 12.208 1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.601 12.949 0.332 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.464 11.432 0.609 1.00 0.00 H new ATOM 2185 N TRP A 138 3.231 10.765 -2.031 1.00 0.00 N ATOM 2186 CA TRP A 138 2.221 10.484 -3.047 1.00 0.00 C ATOM 2187 C TRP A 138 1.215 11.631 -3.118 1.00 0.00 C ATOM 2188 O TRP A 138 0.942 12.109 -4.215 1.00 0.00 O ATOM 2189 CB TRP A 138 1.546 9.121 -2.821 1.00 0.00 C ATOM 2190 CG TRP A 138 2.311 7.986 -3.427 1.00 0.00 C ATOM 2191 CD1 TRP A 138 3.232 7.220 -2.804 1.00 0.00 C ATOM 2192 CD2 TRP A 138 2.305 7.535 -4.816 1.00 0.00 C ATOM 2193 NE1 TRP A 138 3.844 6.387 -3.711 1.00 0.00 N ATOM 2194 CE2 TRP A 138 3.324 6.548 -4.978 1.00 0.00 C ATOM 2195 CE3 TRP A 138 1.575 7.904 -5.965 1.00 0.00 C ATOM 2196 CZ2 TRP A 138 3.633 5.993 -6.226 1.00 0.00 C ATOM 2197 CZ3 TRP A 138 1.854 7.327 -7.219 1.00 0.00 C ATOM 2198 CH2 TRP A 138 2.886 6.381 -7.352 1.00 0.00 C ATOM 0 H TRP A 138 3.282 10.073 -1.284 1.00 0.00 H new ATOM 0 HA TRP A 138 2.715 10.415 -4.016 1.00 0.00 H new ATOM 0 HB2 TRP A 138 1.436 8.948 -1.750 1.00 0.00 H new ATOM 0 HB3 TRP A 138 0.542 9.143 -3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 138 3.455 7.256 -1.748 1.00 0.00 H new ATOM 0 HE1 TRP A 138 4.590 5.732 -3.476 1.00 0.00 H new ATOM 0 HE3 TRP A 138 0.790 8.641 -5.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 4.435 5.276 -6.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 1.272 7.613 -8.083 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.105 5.953 -8.319 1.00 0.00 H new ATOM 2209 N ALA A 139 0.717 12.131 -1.983 1.00 0.00 N ATOM 2210 CA ALA A 139 -0.205 13.260 -1.963 1.00 0.00 C ATOM 2211 C ALA A 139 0.423 14.515 -2.582 1.00 0.00 C ATOM 2212 O ALA A 139 -0.228 15.216 -3.351 1.00 0.00 O ATOM 2213 CB ALA A 139 -0.670 13.528 -0.528 1.00 0.00 C ATOM 0 H ALA A 139 0.943 11.763 -1.059 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.072 13.003 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.359 14.373 -0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.175 12.644 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.193 13.758 0.097 1.00 0.00 H new ATOM 2219 N GLN A 140 1.699 14.785 -2.297 1.00 0.00 N ATOM 2220 CA GLN A 140 2.438 15.916 -2.848 1.00 0.00 C ATOM 2221 C GLN A 140 2.472 15.843 -4.380 1.00 0.00 C ATOM 2222 O GLN A 140 2.354 16.882 -5.033 1.00 0.00 O ATOM 2223 CB GLN A 140 3.841 15.942 -2.207 1.00 0.00 C ATOM 2224 CG GLN A 140 4.838 16.973 -2.760 1.00 0.00 C ATOM 2225 CD GLN A 140 4.384 18.421 -2.557 1.00 0.00 C ATOM 2226 OE1 GLN A 140 4.760 19.077 -1.590 1.00 0.00 O ATOM 2227 NE2 GLN A 140 3.573 18.956 -3.457 1.00 0.00 N ATOM 0 H GLN A 140 2.255 14.210 -1.664 1.00 0.00 H new ATOM 0 HA GLN A 140 1.942 16.856 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.723 16.123 -1.139 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.282 14.951 -2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 140 5.804 16.831 -2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.986 16.791 -3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 140 3.265 18.404 -4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 140 3.256 19.920 -3.349 1.00 0.00 H new ATOM 2236 N ALA A 141 2.608 14.647 -4.960 1.00 0.00 N ATOM 2237 CA ALA A 141 2.590 14.478 -6.409 1.00 0.00 C ATOM 2238 C ALA A 141 1.162 14.546 -6.961 1.00 0.00 C ATOM 2239 O ALA A 141 0.918 15.223 -7.957 1.00 0.00 O ATOM 2240 CB ALA A 141 3.234 13.142 -6.771 1.00 0.00 C ATOM 0 H ALA A 141 2.732 13.778 -4.441 1.00 0.00 H new ATOM 0 HA ALA A 141 3.157 15.292 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 141 3.222 13.014 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 141 4.264 13.127 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 141 2.676 12.331 -6.303 1.00 0.00 H new ATOM 2246 N LEU A 142 0.211 13.878 -6.304 1.00 0.00 N ATOM 2247 CA LEU A 142 -1.213 13.868 -6.658 1.00 0.00 C ATOM 2248 C LEU A 142 -1.832 15.272 -6.619 1.00 0.00 C ATOM 2249 O LEU A 142 -2.789 15.539 -7.345 1.00 0.00 O ATOM 2250 CB LEU A 142 -1.975 12.939 -5.696 1.00 0.00 C ATOM 2251 CG LEU A 142 -1.721 11.433 -5.912 1.00 0.00 C ATOM 2252 CD1 LEU A 142 -2.192 10.634 -4.690 1.00 0.00 C ATOM 2253 CD2 LEU A 142 -2.447 10.918 -7.158 1.00 0.00 C ATOM 0 H LEU A 142 0.417 13.309 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.296 13.503 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.701 13.196 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -3.043 13.131 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 142 -0.648 11.298 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -2.007 9.573 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -1.645 10.964 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -3.259 10.797 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -2.247 9.854 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -3.520 11.075 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -2.092 11.458 -8.036 1.00 0.00 H new