USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 970 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 44 TYR OH : rot 127:sc= 0.439 USER MOD Set 1.2: A 119 SER OG : rot 170:sc= 0.0751 USER MOD Set 2.1: A 71 THR OG1 : rot 4:sc= -0.863 USER MOD Set 2.2: A 73 HIS :FLIP no HD1:sc= -19.3! C(o=-44!,f=-41!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -20.8! C(o=-41!,f=-53!) USER MOD Set 3.1: A 60 ASN : amide:sc= -11.3! C(o=-23!,f=-28!) USER MOD Set 3.2: A 65 ASN : amide:sc= -11.4! C(o=-23!,f=-30!) USER MOD Set 4.1: A 57 SER OG : rot 25:sc= -0.932! USER MOD Set 4.2: A 59 HIS : no HE2:sc= -3.77 K(o=-4.7,f=-7.5!) USER MOD Set 5.1: A 45 LYS NZ :NH3+ 150:sc= 0.139 (180deg=0.00584) USER MOD Set 5.2: A 48 MET CE :methyl -177:sc= -3.82! (180deg=-4.04!) USER MOD Set 6.1: A 34 TYR OH : rot 130:sc= -2.53! USER MOD Set 6.2: A 64 HIS :FLIP no HD1:sc= -7.06! C(o=-12!,f=-9.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.204 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -170:sc=-0.00946 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -2 F(o=-3.9!,f=-2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 53:sc= 0.0222 USER MOD Single : A 30 CYS SG : rot 30:sc= -4.48! USER MOD Single : A 35 THR OG1 : rot -127:sc= -4.44! USER MOD Single : A 36 THR OG1 : rot 120:sc= -1.62 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -3.03! (180deg=-3.23!) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.384) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc=-0.00652 (180deg=-0.182) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.633 USER MOD Single : A 52 SER OG : rot 96:sc= -0.77! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.112 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.85! C(o=-2.8!,f=-2.4!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= -2.79 F(o=-6!,f=-2.8) USER MOD Single : A 82 ASN : amide:sc= -0.0832 X(o=-0.083,f=-0.55) USER MOD Single : A 83 TYR OH : rot 117:sc= -11.1! USER MOD Single : A 85 GLN : amide:sc= -0.0562 X(o=-0.056,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -14:sc= -1.41! USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.764! USER MOD Single : A 91 SER OG : rot 79:sc= -0.307! USER MOD Single : A 95 CYS SG : rot -53:sc= -3.97 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.096) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -173:sc= 0 (180deg=-0.0143) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -53:sc= 0.836 USER MOD Single : A 114 SER OG : rot 180:sc= -0.169 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 109.178 -5.349 18.102 1.00 0.00 N ATOM 75 CA ASP A 6 108.607 -5.180 16.736 1.00 0.00 C ATOM 76 C ASP A 6 108.567 -3.690 16.378 1.00 0.00 C ATOM 77 O ASP A 6 108.325 -2.857 17.228 1.00 0.00 O ATOM 78 CB ASP A 6 107.187 -5.749 16.704 1.00 0.00 C ATOM 79 CG ASP A 6 107.219 -7.172 16.144 1.00 0.00 C ATOM 80 OD1 ASP A 6 108.008 -7.416 15.247 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.453 -7.993 16.621 1.00 0.00 O ATOM 0 HA ASP A 6 109.229 -5.710 16.015 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.762 -5.752 17.708 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.545 -5.119 16.088 1.00 0.00 H new ATOM 86 N PRO A 7 108.803 -3.401 15.122 1.00 0.00 N ATOM 87 CA PRO A 7 108.797 -2.017 14.611 1.00 0.00 C ATOM 88 C PRO A 7 107.357 -1.538 14.409 1.00 0.00 C ATOM 89 O PRO A 7 106.574 -2.168 13.726 1.00 0.00 O ATOM 90 CB PRO A 7 109.529 -2.128 13.273 1.00 0.00 C ATOM 91 CG PRO A 7 109.405 -3.604 12.829 1.00 0.00 C ATOM 92 CD PRO A 7 109.097 -4.422 14.096 1.00 0.00 C ATOM 0 HA PRO A 7 109.266 -1.302 15.287 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.088 -1.461 12.532 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.575 -1.840 13.378 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.612 -3.721 12.091 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.328 -3.947 12.362 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.249 -5.089 13.943 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.944 -5.044 14.384 1.00 0.00 H new ATOM 100 N LYS A 8 106.999 -0.433 15.002 1.00 0.00 N ATOM 101 CA LYS A 8 105.608 0.076 14.847 1.00 0.00 C ATOM 102 C LYS A 8 105.539 1.045 13.664 1.00 0.00 C ATOM 103 O LYS A 8 104.513 1.639 13.398 1.00 0.00 O ATOM 104 CB LYS A 8 105.187 0.802 16.125 1.00 0.00 C ATOM 105 CG LYS A 8 105.142 -0.194 17.285 1.00 0.00 C ATOM 106 CD LYS A 8 105.560 0.509 18.578 1.00 0.00 C ATOM 107 CE LYS A 8 104.437 0.389 19.610 1.00 0.00 C ATOM 108 NZ LYS A 8 104.804 -0.640 20.624 1.00 0.00 N ATOM 0 H LYS A 8 107.609 0.139 15.586 1.00 0.00 H new ATOM 0 HA LYS A 8 104.936 -0.763 14.664 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.889 1.605 16.348 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.209 1.263 15.989 1.00 0.00 H new ATOM 0 HG2 LYS A 8 104.137 -0.602 17.389 1.00 0.00 H new ATOM 0 HG3 LYS A 8 105.807 -1.033 17.083 1.00 0.00 H new ATOM 0 HD2 LYS A 8 106.475 0.063 18.967 1.00 0.00 H new ATOM 0 HD3 LYS A 8 105.776 1.559 18.380 1.00 0.00 H new ATOM 0 HE2 LYS A 8 104.270 1.351 20.096 1.00 0.00 H new ATOM 0 HE3 LYS A 8 103.504 0.114 19.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 104.041 -0.723 21.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 104.942 -1.557 20.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 105.685 -0.359 21.101 1.00 0.00 H new ATOM 122 N ASP A 9 106.620 1.211 12.951 1.00 0.00 N ATOM 123 CA ASP A 9 106.602 2.143 11.788 1.00 0.00 C ATOM 124 C ASP A 9 108.005 2.244 11.186 1.00 0.00 C ATOM 125 O ASP A 9 108.933 1.605 11.639 1.00 0.00 O ATOM 126 CB ASP A 9 106.145 3.528 12.251 1.00 0.00 C ATOM 127 CG ASP A 9 105.040 4.039 11.323 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.918 3.508 10.231 1.00 0.00 O ATOM 129 OD2 ASP A 9 104.336 4.953 11.720 1.00 0.00 O ATOM 0 H ASP A 9 107.510 0.744 13.122 1.00 0.00 H new ATOM 0 HA ASP A 9 105.912 1.765 11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.779 3.478 13.276 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.987 4.220 12.247 1.00 0.00 H new ATOM 134 N PHE A 10 108.164 3.045 10.168 1.00 0.00 N ATOM 135 CA PHE A 10 109.503 3.191 9.536 1.00 0.00 C ATOM 136 C PHE A 10 110.509 3.682 10.582 1.00 0.00 C ATOM 137 O PHE A 10 110.125 4.230 11.596 1.00 0.00 O ATOM 138 CB PHE A 10 109.415 4.206 8.395 1.00 0.00 C ATOM 139 CG PHE A 10 108.320 3.801 7.436 1.00 0.00 C ATOM 140 CD1 PHE A 10 108.531 2.758 6.526 1.00 0.00 C ATOM 141 CD2 PHE A 10 107.097 4.480 7.448 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.521 2.396 5.628 1.00 0.00 C ATOM 143 CE2 PHE A 10 106.084 4.115 6.553 1.00 0.00 C ATOM 144 CZ PHE A 10 106.298 3.073 5.641 1.00 0.00 C ATOM 0 H PHE A 10 107.422 3.605 9.747 1.00 0.00 H new ATOM 0 HA PHE A 10 109.830 2.228 9.143 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.213 5.200 8.794 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.369 4.261 7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 10 109.474 2.232 6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 10 106.934 5.286 8.148 1.00 0.00 H new ATOM 0 HE1 PHE A 10 107.686 1.593 4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 10 105.138 4.636 6.566 1.00 0.00 H new ATOM 0 HZ PHE A 10 105.518 2.793 4.948 1.00 0.00 H new ATOM 154 N PRO A 11 111.770 3.471 10.303 1.00 0.00 N ATOM 155 CA PRO A 11 112.860 3.883 11.203 1.00 0.00 C ATOM 156 C PRO A 11 113.098 5.393 11.097 1.00 0.00 C ATOM 157 O PRO A 11 112.797 6.011 10.095 1.00 0.00 O ATOM 158 CB PRO A 11 114.068 3.092 10.691 1.00 0.00 C ATOM 159 CG PRO A 11 113.753 2.718 9.223 1.00 0.00 C ATOM 160 CD PRO A 11 112.223 2.804 9.065 1.00 0.00 C ATOM 0 HA PRO A 11 112.649 3.687 12.254 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.978 3.689 10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.231 2.198 11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.252 3.399 8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.110 1.714 8.994 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.945 3.376 8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.777 1.815 8.959 1.00 0.00 H new ATOM 168 N SER A 12 113.626 5.991 12.130 1.00 0.00 N ATOM 169 CA SER A 12 113.875 7.461 12.100 1.00 0.00 C ATOM 170 C SER A 12 114.854 7.804 10.977 1.00 0.00 C ATOM 171 O SER A 12 114.668 8.760 10.249 1.00 0.00 O ATOM 172 CB SER A 12 114.466 7.903 13.438 1.00 0.00 C ATOM 173 OG SER A 12 115.800 7.425 13.542 1.00 0.00 O ATOM 0 H SER A 12 113.896 5.524 12.996 1.00 0.00 H new ATOM 0 HA SER A 12 112.932 7.979 11.923 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.450 8.990 13.515 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.864 7.517 14.260 1.00 0.00 H new ATOM 0 HG SER A 12 116.183 7.708 14.398 1.00 0.00 H new ATOM 179 N GLU A 13 115.897 7.038 10.834 1.00 0.00 N ATOM 180 CA GLU A 13 116.892 7.327 9.762 1.00 0.00 C ATOM 181 C GLU A 13 116.183 7.416 8.408 1.00 0.00 C ATOM 182 O GLU A 13 116.709 7.958 7.457 1.00 0.00 O ATOM 183 CB GLU A 13 117.936 6.210 9.718 1.00 0.00 C ATOM 184 CG GLU A 13 119.123 6.655 8.860 1.00 0.00 C ATOM 185 CD GLU A 13 120.176 5.546 8.826 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.245 4.793 9.783 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.895 5.470 7.844 1.00 0.00 O ATOM 0 H GLU A 13 116.105 6.224 11.412 1.00 0.00 H new ATOM 0 HA GLU A 13 117.383 8.277 9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.272 5.972 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.496 5.302 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 13 118.788 6.883 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.556 7.569 9.266 1.00 0.00 H new ATOM 194 N LEU A 14 114.995 6.885 8.310 1.00 0.00 N ATOM 195 CA LEU A 14 114.261 6.939 7.014 1.00 0.00 C ATOM 196 C LEU A 14 113.105 7.937 7.118 1.00 0.00 C ATOM 197 O LEU A 14 112.606 8.426 6.125 1.00 0.00 O ATOM 198 CB LEU A 14 113.710 5.552 6.684 1.00 0.00 C ATOM 199 CG LEU A 14 114.424 4.992 5.451 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.932 5.211 5.582 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.135 3.494 5.332 1.00 0.00 C ATOM 0 H LEU A 14 114.502 6.417 9.070 1.00 0.00 H new ATOM 0 HA LEU A 14 114.942 7.258 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.851 4.883 7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.637 5.611 6.499 1.00 0.00 H new ATOM 0 HG LEU A 14 114.062 5.506 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.436 4.811 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 14 116.139 6.278 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.298 4.701 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 14 114.643 3.094 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.495 2.982 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 14 113.061 3.337 5.232 1.00 0.00 H new ATOM 213 N LEU A 15 112.678 8.245 8.312 1.00 0.00 N ATOM 214 CA LEU A 15 111.556 9.212 8.471 1.00 0.00 C ATOM 215 C LEU A 15 112.019 10.607 8.037 1.00 0.00 C ATOM 216 O LEU A 15 111.236 11.531 7.947 1.00 0.00 O ATOM 217 CB LEU A 15 111.118 9.252 9.937 1.00 0.00 C ATOM 218 CG LEU A 15 110.496 7.909 10.323 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.611 7.709 11.835 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.020 7.893 9.920 1.00 0.00 C ATOM 0 H LEU A 15 113.056 7.870 9.182 1.00 0.00 H new ATOM 0 HA LEU A 15 110.716 8.898 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.974 9.465 10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.397 10.055 10.090 1.00 0.00 H new ATOM 0 HG LEU A 15 111.022 7.106 9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.168 6.752 12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.662 7.719 12.124 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.085 8.514 12.349 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.578 6.936 10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.494 8.697 10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 15 108.935 8.035 8.843 1.00 0.00 H new ATOM 232 N SER A 16 113.287 10.765 7.766 1.00 0.00 N ATOM 233 CA SER A 16 113.798 12.098 7.338 1.00 0.00 C ATOM 234 C SER A 16 113.153 12.491 6.007 1.00 0.00 C ATOM 235 O SER A 16 113.141 13.647 5.631 1.00 0.00 O ATOM 236 CB SER A 16 115.316 12.030 7.167 1.00 0.00 C ATOM 237 OG SER A 16 115.941 12.661 8.277 1.00 0.00 O ATOM 0 H SER A 16 113.990 10.028 7.823 1.00 0.00 H new ATOM 0 HA SER A 16 113.549 12.842 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.639 10.992 7.094 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.612 12.522 6.240 1.00 0.00 H new ATOM 0 HG SER A 16 116.914 12.618 8.172 1.00 0.00 H new ATOM 243 N PHE A 17 112.612 11.542 5.292 1.00 0.00 N ATOM 244 CA PHE A 17 111.964 11.871 3.990 1.00 0.00 C ATOM 245 C PHE A 17 110.828 10.884 3.711 1.00 0.00 C ATOM 246 O PHE A 17 110.926 10.039 2.844 1.00 0.00 O ATOM 247 CB PHE A 17 112.993 11.801 2.856 1.00 0.00 C ATOM 248 CG PHE A 17 113.979 10.677 3.101 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.587 9.526 3.795 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.289 10.789 2.619 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.504 8.491 4.009 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.205 9.754 2.831 1.00 0.00 C ATOM 253 CZ PHE A 17 115.813 8.604 3.527 1.00 0.00 C ATOM 0 H PHE A 17 112.591 10.556 5.552 1.00 0.00 H new ATOM 0 HA PHE A 17 111.560 12.882 4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.484 11.645 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.525 12.749 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.576 9.437 4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.592 11.676 2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.201 7.604 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.215 9.842 2.458 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.520 7.805 3.692 1.00 0.00 H new ATOM 263 N LEU A 18 109.747 10.988 4.434 1.00 0.00 N ATOM 264 CA LEU A 18 108.604 10.060 4.204 1.00 0.00 C ATOM 265 C LEU A 18 107.343 10.873 3.911 1.00 0.00 C ATOM 266 O LEU A 18 107.405 12.053 3.627 1.00 0.00 O ATOM 267 CB LEU A 18 108.382 9.199 5.449 1.00 0.00 C ATOM 268 CG LEU A 18 108.652 7.732 5.112 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.421 6.869 6.353 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.705 7.281 3.997 1.00 0.00 C ATOM 0 H LEU A 18 109.606 11.676 5.174 1.00 0.00 H new ATOM 0 HA LEU A 18 108.826 9.413 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.042 9.526 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.360 9.318 5.809 1.00 0.00 H new ATOM 0 HG LEU A 18 109.685 7.623 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 18 108.614 5.824 6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.095 7.187 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.389 6.980 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.898 6.235 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 18 106.673 7.393 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.869 7.893 3.110 1.00 0.00 H new ATOM 282 N SER A 19 106.195 10.254 3.975 1.00 0.00 N ATOM 283 CA SER A 19 104.933 10.997 3.697 1.00 0.00 C ATOM 284 C SER A 19 104.187 11.253 5.008 1.00 0.00 C ATOM 285 O SER A 19 103.787 12.362 5.299 1.00 0.00 O ATOM 286 CB SER A 19 104.050 10.169 2.763 1.00 0.00 C ATOM 287 OG SER A 19 104.736 9.956 1.536 1.00 0.00 O ATOM 0 H SER A 19 106.077 9.268 4.207 1.00 0.00 H new ATOM 0 HA SER A 19 105.172 11.950 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.805 9.214 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.108 10.686 2.581 1.00 0.00 H new ATOM 0 HG SER A 19 104.121 9.566 0.881 1.00 0.00 H new ATOM 293 N HIS A 20 103.993 10.234 5.800 1.00 0.00 N ATOM 294 CA HIS A 20 103.268 10.419 7.088 1.00 0.00 C ATOM 295 C HIS A 20 101.797 10.723 6.802 1.00 0.00 C ATOM 296 O HIS A 20 101.357 11.852 6.897 1.00 0.00 O ATOM 297 CB HIS A 20 103.889 11.582 7.864 1.00 0.00 C ATOM 298 CG HIS A 20 105.388 11.452 7.847 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.389 12.375 7.667 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.025 10.235 8.033 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.627 11.744 7.741 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.350 10.456 7.963 1.00 0.00 N flip ATOM 0 H HIS A 20 104.305 9.282 5.610 1.00 0.00 H new ATOM 0 HA HIS A 20 103.344 9.508 7.682 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.590 12.531 7.419 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.525 11.583 8.891 1.00 0.00 H new ATOM 0 HD1 HIS A 20 106.247 13.372 7.504 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.545 9.283 8.203 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.602 12.198 7.641 1.00 0.00 H new ATOM 310 N ALA A 21 101.032 9.726 6.452 1.00 0.00 N ATOM 311 CA ALA A 21 99.590 9.959 6.159 1.00 0.00 C ATOM 312 C ALA A 21 98.936 8.638 5.746 1.00 0.00 C ATOM 313 O ALA A 21 99.603 7.649 5.519 1.00 0.00 O ATOM 314 CB ALA A 21 99.460 10.971 5.019 1.00 0.00 C ATOM 0 H ALA A 21 101.343 8.759 6.356 1.00 0.00 H new ATOM 0 HA ALA A 21 99.095 10.348 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.405 11.143 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.928 11.911 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.954 10.582 4.129 1.00 0.00 H new ATOM 320 N VAL A 22 97.636 8.614 5.648 1.00 0.00 N ATOM 321 CA VAL A 22 96.942 7.355 5.251 1.00 0.00 C ATOM 322 C VAL A 22 95.718 7.690 4.401 1.00 0.00 C ATOM 323 O VAL A 22 95.414 7.015 3.437 1.00 0.00 O ATOM 324 CB VAL A 22 96.502 6.598 6.505 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.269 5.126 6.158 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.594 6.703 7.571 1.00 0.00 C ATOM 0 H VAL A 22 97.024 9.410 5.825 1.00 0.00 H new ATOM 0 HA VAL A 22 97.624 6.733 4.672 1.00 0.00 H new ATOM 0 HB VAL A 22 95.577 7.032 6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 22 95.955 4.587 7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.492 5.050 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.193 4.691 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.282 6.164 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.518 6.269 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 22 97.761 7.751 7.819 1.00 0.00 H new ATOM 336 N PHE A 23 95.011 8.727 4.749 1.00 0.00 N ATOM 337 CA PHE A 23 93.804 9.106 3.963 1.00 0.00 C ATOM 338 C PHE A 23 94.075 10.408 3.207 1.00 0.00 C ATOM 339 O PHE A 23 93.264 11.314 3.201 1.00 0.00 O ATOM 340 CB PHE A 23 92.619 9.303 4.909 1.00 0.00 C ATOM 341 CG PHE A 23 92.427 8.058 5.740 1.00 0.00 C ATOM 342 CD1 PHE A 23 91.760 6.953 5.198 1.00 0.00 C ATOM 343 CD2 PHE A 23 92.912 8.009 7.052 1.00 0.00 C ATOM 344 CE1 PHE A 23 91.580 5.797 5.969 1.00 0.00 C ATOM 345 CE2 PHE A 23 92.732 6.853 7.823 1.00 0.00 C ATOM 346 CZ PHE A 23 92.065 5.748 7.281 1.00 0.00 C ATOM 0 H PHE A 23 95.217 9.330 5.545 1.00 0.00 H new ATOM 0 HA PHE A 23 93.572 8.314 3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 23 92.796 10.162 5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 23 91.715 9.515 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 23 91.384 6.992 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 23 93.425 8.862 7.470 1.00 0.00 H new ATOM 0 HE1 PHE A 23 91.067 4.944 5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 23 93.108 6.814 8.835 1.00 0.00 H new ATOM 0 HZ PHE A 23 91.925 4.857 7.875 1.00 0.00 H new ATOM 356 N SER A 24 95.207 10.512 2.567 1.00 0.00 N ATOM 357 CA SER A 24 95.524 11.756 1.812 1.00 0.00 C ATOM 358 C SER A 24 94.535 11.914 0.655 1.00 0.00 C ATOM 359 O SER A 24 93.741 11.038 0.382 1.00 0.00 O ATOM 360 CB SER A 24 96.947 11.668 1.259 1.00 0.00 C ATOM 361 OG SER A 24 97.858 12.186 2.219 1.00 0.00 O ATOM 0 H SER A 24 95.926 9.789 2.534 1.00 0.00 H new ATOM 0 HA SER A 24 95.446 12.616 2.477 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.196 10.632 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.023 12.230 0.328 1.00 0.00 H new ATOM 0 HG SER A 24 98.771 12.129 1.868 1.00 0.00 H new ATOM 367 N ASN A 25 94.574 13.027 -0.025 1.00 0.00 N ATOM 368 CA ASN A 25 93.634 13.239 -1.162 1.00 0.00 C ATOM 369 C ASN A 25 94.419 13.284 -2.475 1.00 0.00 C ATOM 370 O ASN A 25 93.851 13.271 -3.549 1.00 0.00 O ATOM 371 CB ASN A 25 92.889 14.561 -0.967 1.00 0.00 C ATOM 372 CG ASN A 25 91.558 14.514 -1.720 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.418 15.112 -2.769 1.00 0.00 O ATOM 374 ND2 ASN A 25 90.567 13.824 -1.225 1.00 0.00 N ATOM 0 H ASN A 25 95.216 13.798 0.157 1.00 0.00 H new ATOM 0 HA ASN A 25 92.917 12.419 -1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.712 14.738 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.496 15.390 -1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 25 89.675 13.787 -1.718 1.00 0.00 H new ATOM 0 HD22 ASN A 25 90.684 13.322 -0.345 1.00 0.00 H new ATOM 381 N ARG A 26 95.719 13.336 -2.399 1.00 0.00 N ATOM 382 CA ARG A 26 96.537 13.381 -3.643 1.00 0.00 C ATOM 383 C ARG A 26 96.705 11.963 -4.195 1.00 0.00 C ATOM 384 O ARG A 26 96.099 11.026 -3.716 1.00 0.00 O ATOM 385 CB ARG A 26 97.913 13.973 -3.329 1.00 0.00 C ATOM 386 CG ARG A 26 97.765 15.072 -2.274 1.00 0.00 C ATOM 387 CD ARG A 26 98.929 16.057 -2.396 1.00 0.00 C ATOM 388 NE ARG A 26 98.730 16.916 -3.598 1.00 0.00 N ATOM 389 CZ ARG A 26 99.675 17.017 -4.491 1.00 0.00 C ATOM 390 NH1 ARG A 26 100.363 15.963 -4.836 1.00 0.00 N ATOM 391 NH2 ARG A 26 99.932 18.173 -5.042 1.00 0.00 N ATOM 0 H ARG A 26 96.251 13.349 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 26 96.035 14.003 -4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.582 13.193 -2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.361 14.381 -4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 26 96.818 15.594 -2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 26 97.749 14.633 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 26 98.991 16.675 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 26 99.871 15.515 -2.475 1.00 0.00 H new ATOM 0 HE ARG A 26 97.855 17.425 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 26 100.162 15.060 -4.407 1.00 0.00 H new ATOM 0 HH12 ARG A 26 101.102 16.043 -5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 26 99.394 18.997 -4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 26 100.671 18.252 -5.740 1.00 0.00 H new ATOM 405 N THR A 27 97.523 11.800 -5.197 1.00 0.00 N ATOM 406 CA THR A 27 97.728 10.442 -5.777 1.00 0.00 C ATOM 407 C THR A 27 99.227 10.172 -5.924 1.00 0.00 C ATOM 408 O THR A 27 99.832 10.506 -6.923 1.00 0.00 O ATOM 409 CB THR A 27 97.059 10.365 -7.151 1.00 0.00 C ATOM 410 OG1 THR A 27 97.222 11.605 -7.826 1.00 0.00 O ATOM 411 CG2 THR A 27 95.569 10.066 -6.980 1.00 0.00 C ATOM 0 H THR A 27 98.058 12.547 -5.640 1.00 0.00 H new ATOM 0 HA THR A 27 97.286 9.696 -5.117 1.00 0.00 H new ATOM 0 HB THR A 27 97.521 9.570 -7.736 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.171 11.849 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.094 10.012 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.446 9.114 -6.464 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.104 10.859 -6.395 1.00 0.00 H new ATOM 419 N LEU A 28 99.829 9.569 -4.936 1.00 0.00 N ATOM 420 CA LEU A 28 101.288 9.278 -5.020 1.00 0.00 C ATOM 421 C LEU A 28 101.508 8.008 -5.844 1.00 0.00 C ATOM 422 O LEU A 28 100.612 7.206 -6.017 1.00 0.00 O ATOM 423 CB LEU A 28 101.851 9.075 -3.611 1.00 0.00 C ATOM 424 CG LEU A 28 101.611 10.334 -2.779 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.145 9.939 -1.376 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.913 11.132 -2.675 1.00 0.00 C ATOM 0 H LEU A 28 99.374 9.265 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 28 101.798 10.115 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.374 8.217 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.918 8.858 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 28 100.846 10.944 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 28 100.974 10.837 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.218 9.369 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 28 101.910 9.328 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 28 102.743 12.030 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 28 103.677 10.520 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.247 11.415 -3.673 1.00 0.00 H new ATOM 438 N ALA A 29 102.694 7.816 -6.351 1.00 0.00 N ATOM 439 CA ALA A 29 102.971 6.595 -7.160 1.00 0.00 C ATOM 440 C ALA A 29 104.064 5.775 -6.475 1.00 0.00 C ATOM 441 O ALA A 29 104.145 4.573 -6.633 1.00 0.00 O ATOM 442 CB ALA A 29 103.437 7.001 -8.559 1.00 0.00 C ATOM 0 H ALA A 29 103.484 8.452 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 29 102.063 5.998 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.639 6.107 -9.149 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.658 7.589 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 29 104.346 7.597 -8.481 1.00 0.00 H new ATOM 448 N CYS A 30 104.905 6.417 -5.709 1.00 0.00 N ATOM 449 CA CYS A 30 105.988 5.676 -5.007 1.00 0.00 C ATOM 450 C CYS A 30 105.511 5.315 -3.600 1.00 0.00 C ATOM 451 O CYS A 30 104.922 6.122 -2.910 1.00 0.00 O ATOM 452 CB CYS A 30 107.238 6.558 -4.916 1.00 0.00 C ATOM 453 SG CYS A 30 108.436 5.800 -3.790 1.00 0.00 S ATOM 0 H CYS A 30 104.887 7.423 -5.540 1.00 0.00 H new ATOM 0 HA CYS A 30 106.231 4.768 -5.558 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.681 6.682 -5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.968 7.553 -4.561 1.00 0.00 H new ATOM 0 HG CYS A 30 108.302 4.507 -3.820 1.00 0.00 H new ATOM 459 N PHE A 31 105.754 4.109 -3.171 1.00 0.00 N ATOM 460 CA PHE A 31 105.304 3.707 -1.810 1.00 0.00 C ATOM 461 C PHE A 31 106.377 2.845 -1.141 1.00 0.00 C ATOM 462 O PHE A 31 107.139 2.156 -1.797 1.00 0.00 O ATOM 463 CB PHE A 31 104.006 2.908 -1.918 1.00 0.00 C ATOM 464 CG PHE A 31 102.960 3.735 -2.626 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.007 3.879 -4.018 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.944 4.356 -1.892 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.039 4.643 -4.675 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.975 5.122 -2.549 1.00 0.00 C ATOM 469 CZ PHE A 31 101.022 5.266 -3.940 1.00 0.00 C ATOM 0 H PHE A 31 106.242 3.387 -3.701 1.00 0.00 H new ATOM 0 HA PHE A 31 105.135 4.601 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.182 1.981 -2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.654 2.631 -0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.792 3.399 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.908 4.244 -0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.075 4.753 -5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.191 5.602 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.274 5.858 -4.447 1.00 0.00 H new ATOM 479 N ALA A 32 106.437 2.878 0.162 1.00 0.00 N ATOM 480 CA ALA A 32 107.453 2.065 0.884 1.00 0.00 C ATOM 481 C ALA A 32 106.750 1.012 1.741 1.00 0.00 C ATOM 482 O ALA A 32 106.301 1.287 2.837 1.00 0.00 O ATOM 483 CB ALA A 32 108.284 2.977 1.788 1.00 0.00 C ATOM 0 H ALA A 32 105.824 3.435 0.758 1.00 0.00 H new ATOM 0 HA ALA A 32 108.103 1.573 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.029 2.383 2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.785 3.731 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.631 3.467 2.510 1.00 0.00 H new ATOM 489 N ILE A 33 106.657 -0.196 1.256 1.00 0.00 N ATOM 490 CA ILE A 33 105.994 -1.264 2.052 1.00 0.00 C ATOM 491 C ILE A 33 107.003 -1.820 3.058 1.00 0.00 C ATOM 492 O ILE A 33 107.791 -2.684 2.743 1.00 0.00 O ATOM 493 CB ILE A 33 105.508 -2.376 1.108 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.125 -2.009 0.567 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.411 -3.709 1.858 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.918 -2.672 -0.796 1.00 0.00 C ATOM 0 H ILE A 33 107.011 -0.488 0.345 1.00 0.00 H new ATOM 0 HA ILE A 33 105.134 -0.862 2.587 1.00 0.00 H new ATOM 0 HB ILE A 33 106.220 -2.478 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.352 -2.335 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.034 -0.927 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.066 -4.486 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.392 -3.979 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.706 -3.611 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 33 102.933 -2.411 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 33 104.683 -2.324 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.990 -3.754 -0.689 1.00 0.00 H new ATOM 508 N TYR A 34 106.978 -1.340 4.270 1.00 0.00 N ATOM 509 CA TYR A 34 107.935 -1.853 5.290 1.00 0.00 C ATOM 510 C TYR A 34 107.305 -3.064 5.959 1.00 0.00 C ATOM 511 O TYR A 34 106.289 -2.957 6.612 1.00 0.00 O ATOM 512 CB TYR A 34 108.210 -0.773 6.338 1.00 0.00 C ATOM 513 CG TYR A 34 108.977 -1.369 7.499 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.744 -2.529 7.318 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.924 -0.756 8.757 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.454 -3.073 8.395 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.635 -1.299 9.832 1.00 0.00 C ATOM 518 CZ TYR A 34 110.400 -2.458 9.651 1.00 0.00 C ATOM 519 OH TYR A 34 111.105 -2.991 10.710 1.00 0.00 O ATOM 0 H TYR A 34 106.338 -0.617 4.598 1.00 0.00 H new ATOM 0 HA TYR A 34 108.878 -2.126 4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.781 0.042 5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.270 -0.348 6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 34 109.787 -3.002 6.348 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.333 0.137 8.897 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.043 -3.967 8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.594 -0.825 10.801 1.00 0.00 H new ATOM 0 HH TYR A 34 111.630 -2.285 11.142 1.00 0.00 H new ATOM 529 N THR A 35 107.874 -4.218 5.790 1.00 0.00 N ATOM 530 CA THR A 35 107.255 -5.415 6.411 1.00 0.00 C ATOM 531 C THR A 35 108.329 -6.427 6.794 1.00 0.00 C ATOM 532 O THR A 35 109.422 -6.426 6.263 1.00 0.00 O ATOM 533 CB THR A 35 106.289 -6.042 5.405 1.00 0.00 C ATOM 534 OG1 THR A 35 107.020 -6.838 4.481 1.00 0.00 O ATOM 535 CG2 THR A 35 105.548 -4.934 4.653 1.00 0.00 C ATOM 0 H THR A 35 108.728 -4.385 5.257 1.00 0.00 H new ATOM 0 HA THR A 35 106.719 -5.123 7.314 1.00 0.00 H new ATOM 0 HB THR A 35 105.568 -6.668 5.932 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.794 -6.569 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.859 -5.379 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.989 -4.324 5.362 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.268 -4.309 4.125 1.00 0.00 H new ATOM 543 N THR A 36 108.019 -7.300 7.711 1.00 0.00 N ATOM 544 CA THR A 36 109.014 -8.321 8.125 1.00 0.00 C ATOM 545 C THR A 36 109.532 -9.025 6.866 1.00 0.00 C ATOM 546 O THR A 36 108.995 -8.855 5.793 1.00 0.00 O ATOM 547 CB THR A 36 108.349 -9.323 9.076 1.00 0.00 C ATOM 548 OG1 THR A 36 107.385 -10.084 8.362 1.00 0.00 O ATOM 549 CG2 THR A 36 107.660 -8.562 10.221 1.00 0.00 C ATOM 0 H THR A 36 107.120 -7.349 8.190 1.00 0.00 H new ATOM 0 HA THR A 36 109.850 -7.857 8.649 1.00 0.00 H new ATOM 0 HB THR A 36 109.105 -9.991 9.489 1.00 0.00 H new ATOM 0 HG1 THR A 36 107.623 -11.034 8.403 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.187 -9.273 10.898 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.401 -7.979 10.768 1.00 0.00 H new ATOM 0 HG23 THR A 36 106.903 -7.894 9.810 1.00 0.00 H new ATOM 557 N LYS A 37 110.581 -9.791 6.976 1.00 0.00 N ATOM 558 CA LYS A 37 111.137 -10.474 5.772 1.00 0.00 C ATOM 559 C LYS A 37 110.059 -11.305 5.064 1.00 0.00 C ATOM 560 O LYS A 37 109.800 -11.127 3.889 1.00 0.00 O ATOM 561 CB LYS A 37 112.286 -11.387 6.202 1.00 0.00 C ATOM 562 CG LYS A 37 111.881 -12.181 7.447 1.00 0.00 C ATOM 563 CD LYS A 37 113.015 -12.132 8.473 1.00 0.00 C ATOM 564 CE LYS A 37 113.959 -13.314 8.246 1.00 0.00 C ATOM 565 NZ LYS A 37 115.367 -12.827 8.207 1.00 0.00 N ATOM 0 H LYS A 37 111.078 -9.975 7.847 1.00 0.00 H new ATOM 0 HA LYS A 37 111.497 -9.717 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.543 -12.070 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.175 -10.793 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 37 110.969 -11.765 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.664 -13.215 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.562 -11.193 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 37 112.608 -12.167 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.839 -14.047 9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.711 -13.817 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 116.008 -13.631 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.476 -12.143 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.600 -12.367 9.110 1.00 0.00 H new ATOM 579 N GLU A 38 109.445 -12.224 5.756 1.00 0.00 N ATOM 580 CA GLU A 38 108.406 -13.080 5.119 1.00 0.00 C ATOM 581 C GLU A 38 107.285 -12.222 4.524 1.00 0.00 C ATOM 582 O GLU A 38 106.467 -12.701 3.765 1.00 0.00 O ATOM 583 CB GLU A 38 107.816 -14.023 6.169 1.00 0.00 C ATOM 584 CG GLU A 38 108.661 -15.295 6.244 1.00 0.00 C ATOM 585 CD GLU A 38 108.759 -15.758 7.699 1.00 0.00 C ATOM 586 OE1 GLU A 38 107.777 -16.280 8.202 1.00 0.00 O ATOM 587 OE2 GLU A 38 109.815 -15.583 8.285 1.00 0.00 O ATOM 0 H GLU A 38 109.620 -12.420 6.742 1.00 0.00 H new ATOM 0 HA GLU A 38 108.870 -13.653 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.792 -13.532 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.786 -14.272 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 38 108.214 -16.078 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.657 -15.107 5.843 1.00 0.00 H new ATOM 594 N LYS A 39 107.226 -10.968 4.870 1.00 0.00 N ATOM 595 CA LYS A 39 106.142 -10.099 4.331 1.00 0.00 C ATOM 596 C LYS A 39 106.596 -9.431 3.030 1.00 0.00 C ATOM 597 O LYS A 39 105.935 -9.520 2.015 1.00 0.00 O ATOM 598 CB LYS A 39 105.797 -9.032 5.368 1.00 0.00 C ATOM 599 CG LYS A 39 104.832 -9.627 6.395 1.00 0.00 C ATOM 600 CD LYS A 39 103.940 -8.525 6.966 1.00 0.00 C ATOM 601 CE LYS A 39 102.712 -8.332 6.073 1.00 0.00 C ATOM 602 NZ LYS A 39 103.115 -8.345 4.636 1.00 0.00 N ATOM 0 H LYS A 39 107.880 -10.506 5.502 1.00 0.00 H new ATOM 0 HA LYS A 39 105.262 -10.707 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.703 -8.681 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.344 -8.168 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.219 -10.398 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 39 105.391 -10.107 7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.627 -8.786 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.500 -7.592 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 39 101.987 -9.124 6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.223 -7.388 6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 102.306 -8.063 4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 103.900 -7.678 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 103.420 -9.303 4.370 1.00 0.00 H new ATOM 616 N ALA A 40 107.714 -8.759 3.050 1.00 0.00 N ATOM 617 CA ALA A 40 108.198 -8.085 1.813 1.00 0.00 C ATOM 618 C ALA A 40 108.454 -9.129 0.725 1.00 0.00 C ATOM 619 O ALA A 40 108.347 -8.849 -0.452 1.00 0.00 O ATOM 620 CB ALA A 40 109.501 -7.340 2.114 1.00 0.00 C ATOM 0 H ALA A 40 108.312 -8.648 3.868 1.00 0.00 H new ATOM 0 HA ALA A 40 107.442 -7.379 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.855 -6.847 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.323 -6.594 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.254 -8.049 2.460 1.00 0.00 H new ATOM 626 N ALA A 41 108.795 -10.330 1.105 1.00 0.00 N ATOM 627 CA ALA A 41 109.061 -11.381 0.084 1.00 0.00 C ATOM 628 C ALA A 41 107.749 -11.773 -0.602 1.00 0.00 C ATOM 629 O ALA A 41 107.741 -12.257 -1.716 1.00 0.00 O ATOM 630 CB ALA A 41 109.669 -12.612 0.761 1.00 0.00 C ATOM 0 H ALA A 41 108.900 -10.628 2.075 1.00 0.00 H new ATOM 0 HA ALA A 41 109.758 -10.994 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.863 -13.380 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.604 -12.335 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.973 -12.999 1.506 1.00 0.00 H new ATOM 636 N LEU A 42 106.639 -11.569 0.055 1.00 0.00 N ATOM 637 CA LEU A 42 105.332 -11.931 -0.562 1.00 0.00 C ATOM 638 C LEU A 42 104.801 -10.745 -1.371 1.00 0.00 C ATOM 639 O LEU A 42 104.532 -10.856 -2.549 1.00 0.00 O ATOM 640 CB LEU A 42 104.330 -12.288 0.538 1.00 0.00 C ATOM 641 CG LEU A 42 104.427 -13.783 0.851 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.125 -14.018 2.332 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.412 -14.548 -0.001 1.00 0.00 C ATOM 0 H LEU A 42 106.581 -11.168 0.991 1.00 0.00 H new ATOM 0 HA LEU A 42 105.468 -12.788 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.535 -11.704 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.318 -12.037 0.219 1.00 0.00 H new ATOM 0 HG LEU A 42 105.434 -14.135 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.195 -15.083 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.846 -13.473 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.119 -13.665 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 42 103.480 -15.613 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.406 -14.194 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.626 -14.383 -1.057 1.00 0.00 H new ATOM 655 N LEU A 43 104.651 -9.609 -0.747 1.00 0.00 N ATOM 656 CA LEU A 43 104.140 -8.415 -1.483 1.00 0.00 C ATOM 657 C LEU A 43 105.025 -8.160 -2.698 1.00 0.00 C ATOM 658 O LEU A 43 104.555 -7.805 -3.761 1.00 0.00 O ATOM 659 CB LEU A 43 104.174 -7.183 -0.573 1.00 0.00 C ATOM 660 CG LEU A 43 103.725 -7.572 0.836 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.490 -6.310 1.666 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.429 -8.378 0.745 1.00 0.00 C ATOM 0 H LEU A 43 104.860 -9.455 0.239 1.00 0.00 H new ATOM 0 HA LEU A 43 103.113 -8.601 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.182 -6.769 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.522 -6.406 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 43 104.497 -8.175 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 43 103.170 -6.589 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.415 -5.737 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.717 -5.703 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.104 -8.658 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.657 -7.773 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.601 -9.278 0.154 1.00 0.00 H new ATOM 674 N TYR A 44 106.306 -8.335 -2.548 1.00 0.00 N ATOM 675 CA TYR A 44 107.226 -8.101 -3.691 1.00 0.00 C ATOM 676 C TYR A 44 106.651 -8.766 -4.944 1.00 0.00 C ATOM 677 O TYR A 44 106.344 -8.112 -5.920 1.00 0.00 O ATOM 678 CB TYR A 44 108.600 -8.698 -3.373 1.00 0.00 C ATOM 679 CG TYR A 44 109.606 -8.285 -4.427 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.461 -8.723 -5.749 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.697 -7.478 -4.078 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.399 -8.353 -6.718 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.639 -7.114 -5.046 1.00 0.00 C ATOM 684 CZ TYR A 44 111.489 -7.549 -6.369 1.00 0.00 C ATOM 685 OH TYR A 44 112.418 -7.191 -7.326 1.00 0.00 O ATOM 0 H TYR A 44 106.756 -8.630 -1.682 1.00 0.00 H new ATOM 0 HA TYR A 44 107.333 -7.030 -3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.932 -8.362 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.532 -9.785 -3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 44 108.623 -9.348 -6.021 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.811 -7.136 -3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.282 -8.689 -7.738 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.482 -6.497 -4.773 1.00 0.00 H new ATOM 0 HH TYR A 44 112.525 -6.217 -7.330 1.00 0.00 H new ATOM 695 N LYS A 45 106.505 -10.062 -4.924 1.00 0.00 N ATOM 696 CA LYS A 45 105.956 -10.771 -6.115 1.00 0.00 C ATOM 697 C LYS A 45 104.473 -10.433 -6.291 1.00 0.00 C ATOM 698 O LYS A 45 103.921 -10.567 -7.365 1.00 0.00 O ATOM 699 CB LYS A 45 106.117 -12.280 -5.927 1.00 0.00 C ATOM 700 CG LYS A 45 107.551 -12.590 -5.491 1.00 0.00 C ATOM 701 CD LYS A 45 108.522 -12.157 -6.589 1.00 0.00 C ATOM 702 CE LYS A 45 109.207 -13.392 -7.178 1.00 0.00 C ATOM 703 NZ LYS A 45 108.581 -13.729 -8.488 1.00 0.00 N ATOM 0 H LYS A 45 106.742 -10.662 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 45 106.501 -10.451 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 45 105.412 -12.641 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.888 -12.800 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.781 -12.069 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.660 -13.656 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.987 -11.617 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 45 109.267 -11.474 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 45 110.272 -13.202 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.116 -14.234 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.288 -14.178 -9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.788 -14.385 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.230 -12.860 -8.939 1.00 0.00 H new ATOM 717 N LYS A 46 103.819 -9.998 -5.249 1.00 0.00 N ATOM 718 CA LYS A 46 102.373 -9.658 -5.371 1.00 0.00 C ATOM 719 C LYS A 46 102.217 -8.436 -6.281 1.00 0.00 C ATOM 720 O LYS A 46 101.831 -8.550 -7.428 1.00 0.00 O ATOM 721 CB LYS A 46 101.801 -9.352 -3.983 1.00 0.00 C ATOM 722 CG LYS A 46 100.393 -9.942 -3.871 1.00 0.00 C ATOM 723 CD LYS A 46 100.379 -11.033 -2.800 1.00 0.00 C ATOM 724 CE LYS A 46 99.599 -12.244 -3.314 1.00 0.00 C ATOM 725 NZ LYS A 46 98.217 -11.824 -3.681 1.00 0.00 N ATOM 0 H LYS A 46 104.222 -9.864 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 46 101.831 -10.500 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.446 -9.773 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.770 -8.275 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 46 99.679 -9.159 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 46 100.084 -10.356 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 46 101.399 -11.324 -2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.922 -10.654 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.102 -12.674 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.564 -13.019 -2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 97.581 -12.646 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 97.888 -11.095 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 98.216 -11.438 -4.647 1.00 0.00 H new ATOM 739 N ILE A 47 102.523 -7.269 -5.783 1.00 0.00 N ATOM 740 CA ILE A 47 102.404 -6.043 -6.622 1.00 0.00 C ATOM 741 C ILE A 47 103.358 -6.181 -7.822 1.00 0.00 C ATOM 742 O ILE A 47 103.246 -5.489 -8.812 1.00 0.00 O ATOM 743 CB ILE A 47 102.763 -4.821 -5.751 1.00 0.00 C ATOM 744 CG1 ILE A 47 101.570 -4.501 -4.842 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.074 -3.595 -6.615 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.656 -3.057 -4.333 1.00 0.00 C ATOM 0 H ILE A 47 102.851 -7.112 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 47 101.390 -5.912 -7.000 1.00 0.00 H new ATOM 0 HB ILE A 47 103.649 -5.059 -5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.639 -4.645 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 47 101.553 -5.190 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.323 -2.751 -5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.918 -3.815 -7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.202 -3.346 -7.220 1.00 0.00 H new ATOM 0 HD11 ILE A 47 100.802 -2.847 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.578 -2.925 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.649 -2.371 -5.180 1.00 0.00 H new ATOM 758 N MET A 48 104.293 -7.087 -7.749 1.00 0.00 N ATOM 759 CA MET A 48 105.246 -7.275 -8.884 1.00 0.00 C ATOM 760 C MET A 48 104.499 -7.228 -10.225 1.00 0.00 C ATOM 761 O MET A 48 104.742 -6.368 -11.048 1.00 0.00 O ATOM 762 CB MET A 48 105.945 -8.631 -8.743 1.00 0.00 C ATOM 763 CG MET A 48 106.687 -8.965 -10.040 1.00 0.00 C ATOM 764 SD MET A 48 107.360 -10.643 -9.936 1.00 0.00 S ATOM 765 CE MET A 48 108.895 -10.220 -9.076 1.00 0.00 C ATOM 0 H MET A 48 104.440 -7.707 -6.953 1.00 0.00 H new ATOM 0 HA MET A 48 105.982 -6.472 -8.860 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.645 -8.605 -7.908 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.213 -9.407 -8.521 1.00 0.00 H new ATOM 0 HG2 MET A 48 106.009 -8.886 -10.890 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.492 -8.249 -10.206 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.502 -11.117 -8.953 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.448 -9.484 -9.660 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.660 -9.804 -8.096 1.00 0.00 H new ATOM 775 N GLU A 49 103.609 -8.157 -10.462 1.00 0.00 N ATOM 776 CA GLU A 49 102.875 -8.172 -11.763 1.00 0.00 C ATOM 777 C GLU A 49 101.552 -7.407 -11.645 1.00 0.00 C ATOM 778 O GLU A 49 101.318 -6.446 -12.352 1.00 0.00 O ATOM 779 CB GLU A 49 102.585 -9.621 -12.159 1.00 0.00 C ATOM 780 CG GLU A 49 101.896 -9.651 -13.525 1.00 0.00 C ATOM 781 CD GLU A 49 100.379 -9.603 -13.333 1.00 0.00 C ATOM 782 OE1 GLU A 49 99.934 -9.854 -12.225 1.00 0.00 O ATOM 783 OE2 GLU A 49 99.688 -9.318 -14.297 1.00 0.00 O ATOM 0 H GLU A 49 103.359 -8.904 -9.813 1.00 0.00 H new ATOM 0 HA GLU A 49 103.493 -7.690 -12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 49 103.513 -10.191 -12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.950 -10.093 -11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.224 -8.804 -14.128 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.176 -10.555 -14.066 1.00 0.00 H new ATOM 790 N LYS A 50 100.681 -7.835 -10.771 1.00 0.00 N ATOM 791 CA LYS A 50 99.364 -7.144 -10.618 1.00 0.00 C ATOM 792 C LYS A 50 99.549 -5.625 -10.697 1.00 0.00 C ATOM 793 O LYS A 50 98.639 -4.902 -11.052 1.00 0.00 O ATOM 794 CB LYS A 50 98.753 -7.510 -9.261 1.00 0.00 C ATOM 795 CG LYS A 50 97.487 -6.677 -9.018 1.00 0.00 C ATOM 796 CD LYS A 50 96.583 -7.383 -8.002 1.00 0.00 C ATOM 797 CE LYS A 50 97.423 -7.920 -6.842 1.00 0.00 C ATOM 798 NZ LYS A 50 97.405 -9.410 -6.862 1.00 0.00 N ATOM 0 H LYS A 50 100.823 -8.635 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 50 98.701 -7.463 -11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.510 -8.572 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.476 -7.329 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.758 -5.687 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 50 96.951 -6.533 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 50 95.831 -6.689 -7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.049 -8.201 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 50 98.448 -7.557 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.029 -7.554 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.281 -9.774 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.588 -9.755 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.333 -9.743 -7.845 1.00 0.00 H new ATOM 812 N TYR A 51 100.708 -5.132 -10.358 1.00 0.00 N ATOM 813 CA TYR A 51 100.929 -3.659 -10.402 1.00 0.00 C ATOM 814 C TYR A 51 101.985 -3.304 -11.451 1.00 0.00 C ATOM 815 O TYR A 51 102.025 -2.196 -11.948 1.00 0.00 O ATOM 816 CB TYR A 51 101.417 -3.191 -9.032 1.00 0.00 C ATOM 817 CG TYR A 51 100.240 -2.947 -8.132 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.250 -3.923 -7.998 1.00 0.00 C ATOM 819 CD2 TYR A 51 100.123 -1.737 -7.452 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.139 -3.685 -7.183 1.00 0.00 C ATOM 821 CE2 TYR A 51 99.015 -1.495 -6.650 1.00 0.00 C ATOM 822 CZ TYR A 51 98.021 -2.463 -6.510 1.00 0.00 C ATOM 823 OH TYR A 51 96.919 -2.209 -5.717 1.00 0.00 O ATOM 0 H TYR A 51 101.510 -5.684 -10.053 1.00 0.00 H new ATOM 0 HA TYR A 51 99.991 -3.169 -10.664 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.073 -3.942 -8.593 1.00 0.00 H new ATOM 0 HB3 TYR A 51 102.003 -2.278 -9.136 1.00 0.00 H new ATOM 0 HD1 TYR A 51 99.343 -4.862 -8.524 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.894 -0.987 -7.548 1.00 0.00 H new ATOM 0 HE1 TYR A 51 97.375 -4.441 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.923 -0.552 -6.132 1.00 0.00 H new ATOM 0 HH TYR A 51 96.998 -1.315 -5.324 1.00 0.00 H new ATOM 833 N SER A 52 102.855 -4.219 -11.777 1.00 0.00 N ATOM 834 CA SER A 52 103.916 -3.900 -12.775 1.00 0.00 C ATOM 835 C SER A 52 104.802 -2.797 -12.195 1.00 0.00 C ATOM 836 O SER A 52 105.214 -1.883 -12.883 1.00 0.00 O ATOM 837 CB SER A 52 103.276 -3.414 -14.076 1.00 0.00 C ATOM 838 OG SER A 52 101.867 -3.583 -14.001 1.00 0.00 O ATOM 0 H SER A 52 102.879 -5.166 -11.400 1.00 0.00 H new ATOM 0 HA SER A 52 104.509 -4.789 -12.988 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.519 -2.365 -14.244 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.676 -3.973 -14.922 1.00 0.00 H new ATOM 0 HG SER A 52 101.451 -2.742 -13.717 1.00 0.00 H new ATOM 844 N VAL A 53 105.080 -2.879 -10.922 1.00 0.00 N ATOM 845 CA VAL A 53 105.922 -1.848 -10.248 1.00 0.00 C ATOM 846 C VAL A 53 107.041 -1.369 -11.170 1.00 0.00 C ATOM 847 O VAL A 53 107.750 -2.155 -11.767 1.00 0.00 O ATOM 848 CB VAL A 53 106.544 -2.453 -8.990 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.456 -2.663 -7.941 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.188 -3.798 -9.334 1.00 0.00 C ATOM 0 H VAL A 53 104.754 -3.628 -10.311 1.00 0.00 H new ATOM 0 HA VAL A 53 105.289 -0.998 -9.993 1.00 0.00 H new ATOM 0 HB VAL A 53 107.305 -1.778 -8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 53 105.896 -3.095 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 53 104.997 -1.705 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.697 -3.339 -8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.632 -4.229 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.429 -4.475 -9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.963 -3.649 -10.086 1.00 0.00 H new ATOM 860 N THR A 54 107.220 -0.080 -11.266 1.00 0.00 N ATOM 861 CA THR A 54 108.312 0.457 -12.120 1.00 0.00 C ATOM 862 C THR A 54 109.653 0.057 -11.499 1.00 0.00 C ATOM 863 O THR A 54 110.699 0.192 -12.103 1.00 0.00 O ATOM 864 CB THR A 54 108.205 1.983 -12.183 1.00 0.00 C ATOM 865 OG1 THR A 54 107.103 2.343 -13.003 1.00 0.00 O ATOM 866 CG2 THR A 54 109.491 2.565 -12.768 1.00 0.00 C ATOM 0 H THR A 54 106.656 0.623 -10.789 1.00 0.00 H new ATOM 0 HA THR A 54 108.235 0.054 -13.130 1.00 0.00 H new ATOM 0 HB THR A 54 108.057 2.379 -11.178 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.031 3.319 -13.044 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.412 3.651 -12.812 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.336 2.288 -12.137 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.644 2.172 -13.773 1.00 0.00 H new ATOM 874 N PHE A 55 109.619 -0.439 -10.290 1.00 0.00 N ATOM 875 CA PHE A 55 110.871 -0.858 -9.604 1.00 0.00 C ATOM 876 C PHE A 55 110.502 -1.427 -8.234 1.00 0.00 C ATOM 877 O PHE A 55 109.924 -0.747 -7.413 1.00 0.00 O ATOM 878 CB PHE A 55 111.786 0.354 -9.425 1.00 0.00 C ATOM 879 CG PHE A 55 112.908 0.003 -8.478 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.500 -1.265 -8.525 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.351 0.947 -7.548 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.536 -1.585 -7.642 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.385 0.628 -6.662 1.00 0.00 C ATOM 884 CZ PHE A 55 114.979 -0.640 -6.709 1.00 0.00 C ATOM 0 H PHE A 55 108.767 -0.572 -9.745 1.00 0.00 H new ATOM 0 HA PHE A 55 111.391 -1.611 -10.196 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.192 0.662 -10.389 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.217 1.198 -9.035 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.157 -1.995 -9.243 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.894 1.925 -7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 55 114.995 -2.562 -7.680 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.725 1.358 -5.943 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.778 -0.888 -6.026 1.00 0.00 H new ATOM 894 N ILE A 56 110.816 -2.669 -7.982 1.00 0.00 N ATOM 895 CA ILE A 56 110.463 -3.272 -6.665 1.00 0.00 C ATOM 896 C ILE A 56 111.687 -3.983 -6.082 1.00 0.00 C ATOM 897 O ILE A 56 112.084 -5.034 -6.540 1.00 0.00 O ATOM 898 CB ILE A 56 109.319 -4.267 -6.873 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.035 -5.027 -5.574 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.694 -5.259 -7.974 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.781 -5.877 -5.766 1.00 0.00 C ATOM 0 H ILE A 56 111.300 -3.291 -8.629 1.00 0.00 H new ATOM 0 HA ILE A 56 110.147 -2.496 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 56 108.424 -3.718 -7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 56 109.884 -5.660 -5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 56 108.894 -4.327 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 56 108.878 -5.966 -8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 56 109.877 -4.719 -8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.595 -5.800 -7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.568 -6.424 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 56 106.937 -5.231 -6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 56 107.942 -6.584 -6.580 1.00 0.00 H new ATOM 913 N SER A 57 112.298 -3.406 -5.081 1.00 0.00 N ATOM 914 CA SER A 57 113.505 -4.033 -4.473 1.00 0.00 C ATOM 915 C SER A 57 113.224 -4.425 -3.022 1.00 0.00 C ATOM 916 O SER A 57 112.441 -3.798 -2.336 1.00 0.00 O ATOM 917 CB SER A 57 114.656 -3.026 -4.497 1.00 0.00 C ATOM 918 OG SER A 57 115.863 -3.680 -4.132 1.00 0.00 O ATOM 0 H SER A 57 112.011 -2.524 -4.658 1.00 0.00 H new ATOM 0 HA SER A 57 113.767 -4.925 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.752 -2.590 -5.492 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.451 -2.206 -3.808 1.00 0.00 H new ATOM 0 HG SER A 57 115.791 -4.636 -4.334 1.00 0.00 H new ATOM 924 N ARG A 58 113.877 -5.449 -2.543 1.00 0.00 N ATOM 925 CA ARG A 58 113.676 -5.876 -1.131 1.00 0.00 C ATOM 926 C ARG A 58 114.967 -5.602 -0.355 1.00 0.00 C ATOM 927 O ARG A 58 115.981 -6.235 -0.579 1.00 0.00 O ATOM 928 CB ARG A 58 113.357 -7.371 -1.083 1.00 0.00 C ATOM 929 CG ARG A 58 112.731 -7.714 0.270 1.00 0.00 C ATOM 930 CD ARG A 58 112.222 -9.157 0.245 1.00 0.00 C ATOM 931 NE ARG A 58 113.342 -10.084 0.572 1.00 0.00 N ATOM 932 CZ ARG A 58 113.153 -11.374 0.525 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.932 -11.960 -0.619 1.00 0.00 N ATOM 934 NH2 ARG A 58 113.185 -12.078 1.623 1.00 0.00 N ATOM 0 H ARG A 58 114.544 -6.010 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 58 112.846 -5.324 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.673 -7.634 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.266 -7.953 -1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 58 113.466 -7.590 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.910 -7.031 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.412 -9.281 0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.815 -9.394 -0.738 1.00 0.00 H new ATOM 0 HE ARG A 58 114.255 -9.711 0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 58 112.907 -11.410 -1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.784 -12.969 -0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 58 113.358 -11.620 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 58 113.037 -13.087 1.587 1.00 0.00 H new ATOM 948 N HIS A 59 114.944 -4.653 0.541 1.00 0.00 N ATOM 949 CA HIS A 59 116.177 -4.328 1.316 1.00 0.00 C ATOM 950 C HIS A 59 116.050 -4.855 2.748 1.00 0.00 C ATOM 951 O HIS A 59 115.103 -5.533 3.089 1.00 0.00 O ATOM 952 CB HIS A 59 116.367 -2.811 1.350 1.00 0.00 C ATOM 953 CG HIS A 59 116.525 -2.292 -0.053 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.719 -1.760 -0.514 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.649 -2.216 -1.107 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.530 -1.390 -1.794 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.286 -1.645 -2.206 1.00 0.00 N ATOM 0 H HIS A 59 114.126 -4.089 0.770 1.00 0.00 H new ATOM 0 HA HIS A 59 117.036 -4.798 0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.510 -2.337 1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.245 -2.557 1.944 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.583 -1.666 0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.622 -2.549 -1.087 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.293 -0.941 -2.413 1.00 0.00 H new ATOM 965 N ASN A 60 117.004 -4.544 3.587 1.00 0.00 N ATOM 966 CA ASN A 60 116.946 -5.022 4.999 1.00 0.00 C ATOM 967 C ASN A 60 117.228 -3.852 5.945 1.00 0.00 C ATOM 968 O ASN A 60 118.070 -3.017 5.680 1.00 0.00 O ATOM 969 CB ASN A 60 118.000 -6.112 5.215 1.00 0.00 C ATOM 970 CG ASN A 60 117.493 -7.434 4.639 1.00 0.00 C ATOM 971 OD1 ASN A 60 116.371 -7.829 4.887 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.279 -8.140 3.875 1.00 0.00 N ATOM 0 H ASN A 60 117.821 -3.979 3.354 1.00 0.00 H new ATOM 0 HA ASN A 60 115.955 -5.428 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 60 118.936 -5.828 4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.210 -6.224 6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 60 117.952 -9.024 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 60 119.221 -7.808 3.667 1.00 0.00 H new ATOM 979 N SER A 61 116.533 -3.789 7.048 1.00 0.00 N ATOM 980 CA SER A 61 116.761 -2.676 8.013 1.00 0.00 C ATOM 981 C SER A 61 117.525 -3.204 9.230 1.00 0.00 C ATOM 982 O SER A 61 118.738 -3.270 9.231 1.00 0.00 O ATOM 983 CB SER A 61 115.413 -2.105 8.460 1.00 0.00 C ATOM 984 OG SER A 61 114.481 -3.168 8.611 1.00 0.00 O ATOM 0 H SER A 61 115.816 -4.461 7.323 1.00 0.00 H new ATOM 0 HA SER A 61 117.345 -1.891 7.533 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.526 -1.568 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.048 -1.387 7.726 1.00 0.00 H new ATOM 0 HG SER A 61 113.617 -2.807 8.899 1.00 0.00 H new ATOM 990 N TYR A 62 116.827 -3.586 10.266 1.00 0.00 N ATOM 991 CA TYR A 62 117.516 -4.112 11.477 1.00 0.00 C ATOM 992 C TYR A 62 117.140 -5.582 11.667 1.00 0.00 C ATOM 993 O TYR A 62 117.938 -6.391 12.098 1.00 0.00 O ATOM 994 CB TYR A 62 117.079 -3.307 12.702 1.00 0.00 C ATOM 995 CG TYR A 62 117.153 -1.832 12.387 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.137 -1.223 11.640 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.239 -1.074 12.839 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.208 0.142 11.347 1.00 0.00 C ATOM 999 CE2 TYR A 62 118.310 0.291 12.545 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.294 0.902 11.799 1.00 0.00 C ATOM 1001 OH TYR A 62 117.363 2.249 11.510 1.00 0.00 O ATOM 0 H TYR A 62 115.809 -3.556 10.325 1.00 0.00 H new ATOM 0 HA TYR A 62 118.596 -4.023 11.355 1.00 0.00 H new ATOM 0 HB2 TYR A 62 116.062 -3.579 12.985 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.720 -3.541 13.552 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.299 -1.808 11.290 1.00 0.00 H new ATOM 0 HD2 TYR A 62 119.023 -1.544 13.415 1.00 0.00 H new ATOM 0 HE1 TYR A 62 115.424 0.611 10.771 1.00 0.00 H new ATOM 0 HE2 TYR A 62 119.149 0.875 12.893 1.00 0.00 H new ATOM 0 HH TYR A 62 118.180 2.626 11.899 1.00 0.00 H new ATOM 1011 N ASN A 63 115.926 -5.932 11.342 1.00 0.00 N ATOM 1012 CA ASN A 63 115.486 -7.346 11.493 1.00 0.00 C ATOM 1013 C ASN A 63 114.343 -7.618 10.517 1.00 0.00 C ATOM 1014 O ASN A 63 113.569 -8.539 10.689 1.00 0.00 O ATOM 1015 CB ASN A 63 114.997 -7.582 12.923 1.00 0.00 C ATOM 1016 CG ASN A 63 116.118 -7.250 13.908 1.00 0.00 C ATOM 1017 OD1 ASN A 63 116.918 -8.099 14.245 1.00 0.00 O ATOM 1018 ND2 ASN A 63 116.211 -6.039 14.388 1.00 0.00 N ATOM 0 H ASN A 63 115.217 -5.296 10.977 1.00 0.00 H new ATOM 0 HA ASN A 63 116.321 -8.014 11.283 1.00 0.00 H new ATOM 0 HB2 ASN A 63 114.124 -6.962 13.127 1.00 0.00 H new ATOM 0 HB3 ASN A 63 114.686 -8.620 13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 63 116.955 -5.807 15.046 1.00 0.00 H new ATOM 0 HD22 ASN A 63 115.539 -5.325 14.105 1.00 0.00 H new ATOM 1025 N HIS A 64 114.227 -6.817 9.493 1.00 0.00 N ATOM 1026 CA HIS A 64 113.131 -7.024 8.510 1.00 0.00 C ATOM 1027 C HIS A 64 113.565 -6.489 7.146 1.00 0.00 C ATOM 1028 O HIS A 64 114.728 -6.216 6.923 1.00 0.00 O ATOM 1029 CB HIS A 64 111.883 -6.296 9.001 1.00 0.00 C ATOM 1030 CG HIS A 64 111.466 -6.907 10.310 1.00 0.00 C ATOM 1031 ND1 HIS A 64 111.000 -8.158 10.627 1.00 0.00 N flip ATOM 1032 CD2 HIS A 64 111.528 -6.212 11.507 1.00 0.00 C flip ATOM 1033 CE1 HIS A 64 110.779 -8.244 11.996 1.00 0.00 C flip ATOM 1034 NE2 HIS A 64 111.111 -7.046 12.479 1.00 0.00 N flip ATOM 0 H HIS A 64 114.844 -6.029 9.296 1.00 0.00 H new ATOM 0 HA HIS A 64 112.907 -8.086 8.411 1.00 0.00 H new ATOM 0 HB2 HIS A 64 112.088 -5.233 9.126 1.00 0.00 H new ATOM 0 HB3 HIS A 64 111.080 -6.382 8.269 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.851 -5.190 11.637 1.00 0.00 H new ATOM 0 HE1 HIS A 64 110.416 -9.097 12.550 1.00 0.00 H new ATOM 0 HE2 HIS A 64 111.056 -6.792 13.465 1.00 0.00 H new ATOM 1042 N ASN A 65 112.655 -6.351 6.221 1.00 0.00 N ATOM 1043 CA ASN A 65 113.056 -5.854 4.877 1.00 0.00 C ATOM 1044 C ASN A 65 112.168 -4.687 4.440 1.00 0.00 C ATOM 1045 O ASN A 65 110.986 -4.635 4.737 1.00 0.00 O ATOM 1046 CB ASN A 65 112.931 -6.990 3.859 1.00 0.00 C ATOM 1047 CG ASN A 65 113.805 -8.168 4.295 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.008 -8.386 5.473 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.335 -8.944 3.389 1.00 0.00 N ATOM 0 H ASN A 65 111.663 -6.558 6.336 1.00 0.00 H new ATOM 0 HA ASN A 65 114.088 -5.507 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.891 -7.306 3.778 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.237 -6.643 2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.918 -9.732 3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.166 -8.762 2.400 1.00 0.00 H new ATOM 1056 N ILE A 66 112.736 -3.760 3.716 1.00 0.00 N ATOM 1057 CA ILE A 66 111.951 -2.597 3.223 1.00 0.00 C ATOM 1058 C ILE A 66 111.567 -2.855 1.767 1.00 0.00 C ATOM 1059 O ILE A 66 112.385 -2.762 0.873 1.00 0.00 O ATOM 1060 CB ILE A 66 112.802 -1.328 3.307 1.00 0.00 C ATOM 1061 CG1 ILE A 66 113.299 -1.146 4.745 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.964 -0.114 2.891 1.00 0.00 C ATOM 1063 CD1 ILE A 66 112.161 -0.631 5.629 1.00 0.00 C ATOM 0 H ILE A 66 113.719 -3.761 3.444 1.00 0.00 H new ATOM 0 HA ILE A 66 111.056 -2.466 3.832 1.00 0.00 H new ATOM 0 HB ILE A 66 113.656 -1.417 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 66 113.672 -2.094 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.133 -0.444 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.574 0.787 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.615 -0.247 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.107 -0.018 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.522 -0.504 6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 66 111.809 0.327 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 66 111.341 -1.349 5.621 1.00 0.00 H new ATOM 1075 N LEU A 67 110.334 -3.191 1.524 1.00 0.00 N ATOM 1076 CA LEU A 67 109.904 -3.469 0.127 1.00 0.00 C ATOM 1077 C LEU A 67 109.686 -2.152 -0.614 1.00 0.00 C ATOM 1078 O LEU A 67 108.618 -1.573 -0.583 1.00 0.00 O ATOM 1079 CB LEU A 67 108.599 -4.268 0.144 1.00 0.00 C ATOM 1080 CG LEU A 67 107.972 -4.260 -1.252 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.919 -4.933 -2.246 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.650 -5.023 -1.215 1.00 0.00 C ATOM 0 H LEU A 67 109.605 -3.285 2.231 1.00 0.00 H new ATOM 0 HA LEU A 67 110.677 -4.046 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.793 -5.293 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.906 -3.837 0.867 1.00 0.00 H new ATOM 0 HG LEU A 67 107.794 -3.231 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.469 -4.926 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.864 -4.391 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.099 -5.963 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.200 -5.020 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.832 -6.051 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 67 105.973 -4.544 -0.508 1.00 0.00 H new ATOM 1094 N PHE A 68 110.694 -1.684 -1.290 1.00 0.00 N ATOM 1095 CA PHE A 68 110.564 -0.415 -2.052 1.00 0.00 C ATOM 1096 C PHE A 68 109.849 -0.712 -3.369 1.00 0.00 C ATOM 1097 O PHE A 68 110.259 -1.576 -4.114 1.00 0.00 O ATOM 1098 CB PHE A 68 111.961 0.131 -2.345 1.00 0.00 C ATOM 1099 CG PHE A 68 111.942 1.632 -2.271 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.476 2.268 -1.116 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.391 2.390 -3.358 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.457 3.662 -1.047 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.372 3.783 -3.290 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.905 4.424 -2.135 1.00 0.00 C ATOM 0 H PHE A 68 111.610 -2.130 -1.348 1.00 0.00 H new ATOM 0 HA PHE A 68 109.998 0.318 -1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.677 -0.269 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.288 -0.190 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 68 111.131 1.681 -0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.752 1.897 -4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.097 4.154 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.718 4.368 -4.129 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.890 5.503 -2.083 1.00 0.00 H new ATOM 1114 N PHE A 69 108.780 -0.026 -3.674 1.00 0.00 N ATOM 1115 CA PHE A 69 108.083 -0.329 -4.955 1.00 0.00 C ATOM 1116 C PHE A 69 107.301 0.887 -5.455 1.00 0.00 C ATOM 1117 O PHE A 69 106.455 1.423 -4.767 1.00 0.00 O ATOM 1118 CB PHE A 69 107.132 -1.511 -4.750 1.00 0.00 C ATOM 1119 CG PHE A 69 105.877 -1.052 -4.045 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.923 -0.719 -2.687 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.669 -0.967 -4.747 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.761 -0.299 -2.031 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.506 -0.548 -4.091 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.552 -0.216 -2.734 1.00 0.00 C ATOM 0 H PHE A 69 108.367 0.714 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 69 108.831 -0.584 -5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.876 -1.953 -5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.625 -2.287 -4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.855 -0.786 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.634 -1.225 -5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.796 -0.039 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.574 -0.481 -4.633 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.654 0.105 -2.227 1.00 0.00 H new ATOM 1134 N LEU A 70 107.568 1.310 -6.662 1.00 0.00 N ATOM 1135 CA LEU A 70 106.829 2.475 -7.225 1.00 0.00 C ATOM 1136 C LEU A 70 105.518 1.971 -7.831 1.00 0.00 C ATOM 1137 O LEU A 70 105.172 0.813 -7.704 1.00 0.00 O ATOM 1138 CB LEU A 70 107.666 3.147 -8.318 1.00 0.00 C ATOM 1139 CG LEU A 70 109.051 3.502 -7.773 1.00 0.00 C ATOM 1140 CD1 LEU A 70 110.003 3.769 -8.942 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.952 4.760 -6.905 1.00 0.00 C ATOM 0 H LEU A 70 108.266 0.898 -7.282 1.00 0.00 H new ATOM 0 HA LEU A 70 106.629 3.200 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 70 107.763 2.480 -9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.163 4.048 -8.671 1.00 0.00 H new ATOM 0 HG LEU A 70 109.428 2.674 -7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 70 110.991 4.022 -8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 70 110.074 2.877 -9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.623 4.598 -9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.939 5.013 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.575 5.588 -7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.271 4.576 -6.074 1.00 0.00 H new ATOM 1153 N THR A 71 104.787 2.823 -8.492 1.00 0.00 N ATOM 1154 CA THR A 71 103.505 2.379 -9.107 1.00 0.00 C ATOM 1155 C THR A 71 103.188 3.267 -10.317 1.00 0.00 C ATOM 1156 O THR A 71 102.844 4.422 -10.157 1.00 0.00 O ATOM 1157 CB THR A 71 102.381 2.493 -8.076 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.040 3.860 -7.897 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.846 1.900 -6.744 1.00 0.00 C ATOM 0 H THR A 71 105.020 3.806 -8.633 1.00 0.00 H new ATOM 0 HA THR A 71 103.593 1.342 -9.432 1.00 0.00 H new ATOM 0 HB THR A 71 101.507 1.945 -8.429 1.00 0.00 H new ATOM 0 HG1 THR A 71 102.563 4.411 -8.516 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.044 1.982 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 71 103.105 0.850 -6.884 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.720 2.445 -6.389 1.00 0.00 H new ATOM 1167 N PRO A 72 103.326 2.708 -11.496 1.00 0.00 N ATOM 1168 CA PRO A 72 103.073 3.434 -12.755 1.00 0.00 C ATOM 1169 C PRO A 72 101.572 3.535 -13.061 1.00 0.00 C ATOM 1170 O PRO A 72 101.168 3.505 -14.207 1.00 0.00 O ATOM 1171 CB PRO A 72 103.778 2.578 -13.810 1.00 0.00 C ATOM 1172 CG PRO A 72 103.894 1.156 -13.212 1.00 0.00 C ATOM 1173 CD PRO A 72 103.752 1.307 -11.686 1.00 0.00 C ATOM 0 HA PRO A 72 103.433 4.462 -12.718 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.211 2.563 -14.740 1.00 0.00 H new ATOM 0 HB3 PRO A 72 104.763 2.983 -14.044 1.00 0.00 H new ATOM 0 HG2 PRO A 72 103.117 0.504 -13.611 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.852 0.705 -13.469 1.00 0.00 H new ATOM 0 HD2 PRO A 72 103.017 0.610 -11.284 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.694 1.105 -11.177 1.00 0.00 H new ATOM 1181 N HIS A 73 100.738 3.672 -12.063 1.00 0.00 N ATOM 1182 CA HIS A 73 99.281 3.792 -12.341 1.00 0.00 C ATOM 1183 C HIS A 73 98.639 4.780 -11.346 1.00 0.00 C ATOM 1184 O HIS A 73 97.435 4.913 -11.274 1.00 0.00 O ATOM 1185 CB HIS A 73 98.598 2.409 -12.294 1.00 0.00 C ATOM 1186 CG HIS A 73 99.177 1.535 -11.208 1.00 0.00 C ATOM 1187 ND1 HIS A 73 100.448 1.385 -10.702 1.00 0.00 N flip ATOM 1188 CD2 HIS A 73 98.371 0.694 -10.453 1.00 0.00 C flip ATOM 1189 CE1 HIS A 73 100.425 0.478 -9.643 1.00 0.00 C flip ATOM 1190 NE2 HIS A 73 99.150 0.097 -9.534 1.00 0.00 N flip ATOM 0 H HIS A 73 101.001 3.705 -11.078 1.00 0.00 H new ATOM 0 HA HIS A 73 99.141 4.185 -13.348 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.529 2.537 -12.126 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.712 1.914 -13.258 1.00 0.00 H new ATOM 0 HD2 HIS A 73 97.309 0.546 -10.581 1.00 0.00 H new ATOM 0 HE1 HIS A 73 101.260 0.153 -9.040 1.00 0.00 H new ATOM 0 HE2 HIS A 73 98.809 -0.566 -8.838 1.00 0.00 H new ATOM 1198 N ARG A 74 99.457 5.511 -10.620 1.00 0.00 N ATOM 1199 CA ARG A 74 98.949 6.552 -9.659 1.00 0.00 C ATOM 1200 C ARG A 74 97.920 5.994 -8.662 1.00 0.00 C ATOM 1201 O ARG A 74 97.007 5.278 -9.022 1.00 0.00 O ATOM 1202 CB ARG A 74 98.301 7.685 -10.456 1.00 0.00 C ATOM 1203 CG ARG A 74 99.277 8.859 -10.560 1.00 0.00 C ATOM 1204 CD ARG A 74 100.012 8.796 -11.901 1.00 0.00 C ATOM 1205 NE ARG A 74 99.133 9.337 -12.976 1.00 0.00 N ATOM 1206 CZ ARG A 74 99.172 10.607 -13.274 1.00 0.00 C ATOM 1207 NH1 ARG A 74 100.319 11.221 -13.366 1.00 0.00 N ATOM 1208 NH2 ARG A 74 98.062 11.262 -13.483 1.00 0.00 N ATOM 0 H ARG A 74 100.473 5.429 -10.653 1.00 0.00 H new ATOM 0 HA ARG A 74 99.803 6.906 -9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 74 98.030 7.334 -11.452 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.380 8.006 -9.969 1.00 0.00 H new ATOM 0 HG2 ARG A 74 98.738 9.802 -10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 74 99.993 8.824 -9.739 1.00 0.00 H new ATOM 0 HD2 ARG A 74 100.936 9.371 -11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 74 100.290 7.767 -12.127 1.00 0.00 H new ATOM 0 HE ARG A 74 98.501 8.714 -13.479 1.00 0.00 H new ATOM 0 HH11 ARG A 74 101.186 10.709 -13.205 1.00 0.00 H new ATOM 0 HH12 ARG A 74 100.349 12.214 -13.599 1.00 0.00 H new ATOM 0 HH21 ARG A 74 97.165 10.781 -13.413 1.00 0.00 H new ATOM 0 HH22 ARG A 74 98.092 12.255 -13.716 1.00 0.00 H new ATOM 1222 N HIS A 75 98.058 6.355 -7.402 1.00 0.00 N ATOM 1223 CA HIS A 75 97.087 5.891 -6.359 1.00 0.00 C ATOM 1224 C HIS A 75 97.180 6.777 -5.125 1.00 0.00 C ATOM 1225 O HIS A 75 97.973 7.694 -5.052 1.00 0.00 O ATOM 1226 CB HIS A 75 97.415 4.467 -5.931 1.00 0.00 C ATOM 1227 CG HIS A 75 97.683 3.662 -7.146 1.00 0.00 C ATOM 1228 ND1 HIS A 75 96.663 3.142 -7.917 1.00 0.00 N ATOM 1229 CD2 HIS A 75 98.849 3.325 -7.771 1.00 0.00 C ATOM 1230 CE1 HIS A 75 97.227 2.528 -8.961 1.00 0.00 C ATOM 1231 NE2 HIS A 75 98.561 2.612 -8.919 1.00 0.00 N ATOM 0 H HIS A 75 98.806 6.954 -7.053 1.00 0.00 H new ATOM 0 HA HIS A 75 96.086 5.938 -6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 75 98.283 4.460 -5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.585 4.040 -5.369 1.00 0.00 H new ATOM 0 HD1 HIS A 75 95.664 3.213 -7.725 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.840 3.576 -7.423 1.00 0.00 H new ATOM 0 HE1 HIS A 75 96.674 2.026 -9.742 1.00 0.00 H new ATOM 1239 N ARG A 76 96.396 6.467 -4.135 1.00 0.00 N ATOM 1240 CA ARG A 76 96.444 7.232 -2.867 1.00 0.00 C ATOM 1241 C ARG A 76 96.966 6.279 -1.796 1.00 0.00 C ATOM 1242 O ARG A 76 96.591 5.125 -1.756 1.00 0.00 O ATOM 1243 CB ARG A 76 95.040 7.713 -2.490 1.00 0.00 C ATOM 1244 CG ARG A 76 94.283 8.132 -3.751 1.00 0.00 C ATOM 1245 CD ARG A 76 93.064 8.969 -3.359 1.00 0.00 C ATOM 1246 NE ARG A 76 92.447 9.553 -4.583 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.912 10.742 -4.541 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.604 11.279 -3.391 1.00 0.00 N ATOM 1249 NH2 ARG A 76 91.687 11.395 -5.647 1.00 0.00 N ATOM 0 H ARG A 76 95.716 5.707 -4.153 1.00 0.00 H new ATOM 0 HA ARG A 76 97.087 8.107 -2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.499 6.919 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 76 95.106 8.553 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.937 8.707 -4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 76 93.968 7.250 -4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 76 92.338 8.349 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.360 9.763 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 76 92.443 9.023 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.782 10.769 -2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 76 91.186 12.209 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 76 91.929 10.976 -6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 76 91.269 12.325 -5.614 1.00 0.00 H new ATOM 1263 N VAL A 77 97.834 6.723 -0.938 1.00 0.00 N ATOM 1264 CA VAL A 77 98.365 5.798 0.099 1.00 0.00 C ATOM 1265 C VAL A 77 97.203 5.026 0.737 1.00 0.00 C ATOM 1266 O VAL A 77 97.388 3.954 1.276 1.00 0.00 O ATOM 1267 CB VAL A 77 99.152 6.596 1.144 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.134 5.879 2.499 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.596 6.722 0.658 1.00 0.00 C ATOM 0 H VAL A 77 98.197 7.676 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 77 99.044 5.076 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 77 98.697 7.579 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.698 6.462 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.104 5.771 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.587 4.893 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 77 101.177 7.287 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.029 5.728 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.613 7.240 -0.301 1.00 0.00 H new ATOM 1279 N SER A 78 96.006 5.542 0.663 1.00 0.00 N ATOM 1280 CA SER A 78 94.851 4.805 1.248 1.00 0.00 C ATOM 1281 C SER A 78 94.571 3.569 0.388 1.00 0.00 C ATOM 1282 O SER A 78 94.431 2.470 0.887 1.00 0.00 O ATOM 1283 CB SER A 78 93.618 5.710 1.263 1.00 0.00 C ATOM 1284 OG SER A 78 92.460 4.926 1.000 1.00 0.00 O ATOM 0 H SER A 78 95.779 6.435 0.226 1.00 0.00 H new ATOM 0 HA SER A 78 95.082 4.503 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 78 93.526 6.203 2.231 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.719 6.495 0.513 1.00 0.00 H new ATOM 0 HG SER A 78 91.666 5.501 1.010 1.00 0.00 H new ATOM 1290 N ALA A 79 94.496 3.742 -0.906 1.00 0.00 N ATOM 1291 CA ALA A 79 94.236 2.582 -1.805 1.00 0.00 C ATOM 1292 C ALA A 79 95.421 1.615 -1.740 1.00 0.00 C ATOM 1293 O ALA A 79 95.292 0.490 -1.300 1.00 0.00 O ATOM 1294 CB ALA A 79 94.062 3.077 -3.241 1.00 0.00 C ATOM 0 H ALA A 79 94.604 4.639 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 79 93.328 2.070 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.872 2.228 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.220 3.768 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.970 3.588 -3.562 1.00 0.00 H new ATOM 1300 N ILE A 80 96.577 2.046 -2.168 1.00 0.00 N ATOM 1301 CA ILE A 80 97.768 1.151 -2.116 1.00 0.00 C ATOM 1302 C ILE A 80 97.838 0.514 -0.728 1.00 0.00 C ATOM 1303 O ILE A 80 98.157 -0.650 -0.577 1.00 0.00 O ATOM 1304 CB ILE A 80 99.034 1.974 -2.374 1.00 0.00 C ATOM 1305 CG1 ILE A 80 99.128 2.306 -3.869 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.268 1.173 -1.945 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.604 1.076 -4.646 1.00 0.00 C ATOM 0 H ILE A 80 96.748 2.976 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 80 97.689 0.374 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 80 98.990 2.898 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 80 98.155 2.628 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.819 3.135 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.166 1.762 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.199 0.940 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.317 0.246 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.669 1.318 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.586 0.774 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.897 0.259 -4.503 1.00 0.00 H new ATOM 1319 N ASN A 81 97.531 1.275 0.289 1.00 0.00 N ATOM 1320 CA ASN A 81 97.563 0.723 1.670 1.00 0.00 C ATOM 1321 C ASN A 81 96.711 -0.545 1.709 1.00 0.00 C ATOM 1322 O ASN A 81 97.126 -1.569 2.208 1.00 0.00 O ATOM 1323 CB ASN A 81 96.995 1.758 2.645 1.00 0.00 C ATOM 1324 CG ASN A 81 96.699 1.091 3.988 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.517 0.185 4.444 1.00 0.00 O flip ATOM 1326 ND2 ASN A 81 95.713 1.397 4.629 1.00 0.00 N flip ATOM 0 H ASN A 81 97.259 2.256 0.220 1.00 0.00 H new ATOM 0 HA ASN A 81 98.588 0.489 1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.706 2.572 2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.084 2.195 2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.073 2.106 4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 81 95.526 0.945 5.524 1.00 0.00 H new ATOM 1333 N ASN A 82 95.521 -0.479 1.178 1.00 0.00 N ATOM 1334 CA ASN A 82 94.634 -1.675 1.171 1.00 0.00 C ATOM 1335 C ASN A 82 95.387 -2.861 0.561 1.00 0.00 C ATOM 1336 O ASN A 82 95.358 -3.956 1.084 1.00 0.00 O ATOM 1337 CB ASN A 82 93.384 -1.379 0.338 1.00 0.00 C ATOM 1338 CG ASN A 82 92.416 -0.525 1.159 1.00 0.00 C ATOM 1339 OD1 ASN A 82 92.146 -0.824 2.306 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.877 0.535 0.618 1.00 0.00 N ATOM 0 H ASN A 82 95.124 0.356 0.747 1.00 0.00 H new ATOM 0 HA ASN A 82 94.339 -1.917 2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.660 -0.857 -0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.902 -2.311 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 82 91.231 1.110 1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 82 92.103 0.787 -0.344 1.00 0.00 H new ATOM 1347 N TYR A 83 96.068 -2.656 -0.537 1.00 0.00 N ATOM 1348 CA TYR A 83 96.821 -3.785 -1.154 1.00 0.00 C ATOM 1349 C TYR A 83 97.700 -4.428 -0.085 1.00 0.00 C ATOM 1350 O TYR A 83 97.486 -5.554 0.316 1.00 0.00 O ATOM 1351 CB TYR A 83 97.704 -3.268 -2.300 1.00 0.00 C ATOM 1352 CG TYR A 83 98.363 -4.434 -3.015 1.00 0.00 C ATOM 1353 CD1 TYR A 83 99.243 -5.287 -2.328 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.088 -4.668 -4.369 1.00 0.00 C ATOM 1355 CE1 TYR A 83 99.840 -6.362 -2.995 1.00 0.00 C ATOM 1356 CE2 TYR A 83 98.690 -5.739 -5.034 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.564 -6.586 -4.348 1.00 0.00 C ATOM 1358 OH TYR A 83 100.148 -7.647 -5.006 1.00 0.00 O ATOM 0 H TYR A 83 96.134 -1.764 -1.028 1.00 0.00 H new ATOM 0 HA TYR A 83 96.119 -4.516 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 83 97.101 -2.693 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 83 98.466 -2.594 -1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 83 99.459 -5.113 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 83 97.408 -4.018 -4.900 1.00 0.00 H new ATOM 0 HE1 TYR A 83 100.514 -7.019 -2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 83 98.480 -5.912 -6.079 1.00 0.00 H new ATOM 0 HH TYR A 83 99.453 -8.269 -5.305 1.00 0.00 H new ATOM 1368 N ALA A 84 98.696 -3.720 0.375 1.00 0.00 N ATOM 1369 CA ALA A 84 99.605 -4.288 1.412 1.00 0.00 C ATOM 1370 C ALA A 84 98.825 -4.579 2.697 1.00 0.00 C ATOM 1371 O ALA A 84 99.332 -5.198 3.611 1.00 0.00 O ATOM 1372 CB ALA A 84 100.719 -3.285 1.715 1.00 0.00 C ATOM 0 H ALA A 84 98.920 -2.771 0.077 1.00 0.00 H new ATOM 0 HA ALA A 84 100.034 -5.217 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.385 -3.698 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.285 -3.084 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.282 -2.357 2.083 1.00 0.00 H new ATOM 1378 N GLN A 85 97.599 -4.140 2.783 1.00 0.00 N ATOM 1379 CA GLN A 85 96.808 -4.399 4.018 1.00 0.00 C ATOM 1380 C GLN A 85 96.318 -5.846 4.014 1.00 0.00 C ATOM 1381 O GLN A 85 96.427 -6.547 5.000 1.00 0.00 O ATOM 1382 CB GLN A 85 95.610 -3.450 4.072 1.00 0.00 C ATOM 1383 CG GLN A 85 96.055 -2.104 4.642 1.00 0.00 C ATOM 1384 CD GLN A 85 95.806 -2.080 6.150 1.00 0.00 C ATOM 1385 OE1 GLN A 85 94.789 -1.593 6.603 1.00 0.00 O ATOM 1386 NE2 GLN A 85 96.698 -2.591 6.954 1.00 0.00 N ATOM 0 H GLN A 85 97.113 -3.616 2.055 1.00 0.00 H new ATOM 0 HA GLN A 85 97.437 -4.231 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.194 -3.315 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.821 -3.877 4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 85 97.113 -1.941 4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.508 -1.294 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.552 -3.000 6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 85 96.541 -2.581 7.962 1.00 0.00 H new ATOM 1395 N LYS A 86 95.794 -6.311 2.911 1.00 0.00 N ATOM 1396 CA LYS A 86 95.324 -7.721 2.862 1.00 0.00 C ATOM 1397 C LYS A 86 96.463 -8.608 3.348 1.00 0.00 C ATOM 1398 O LYS A 86 96.262 -9.710 3.818 1.00 0.00 O ATOM 1399 CB LYS A 86 94.954 -8.096 1.426 1.00 0.00 C ATOM 1400 CG LYS A 86 94.260 -9.459 1.418 1.00 0.00 C ATOM 1401 CD LYS A 86 93.494 -9.637 0.106 1.00 0.00 C ATOM 1402 CE LYS A 86 92.002 -9.789 0.403 1.00 0.00 C ATOM 1403 NZ LYS A 86 91.367 -8.442 0.460 1.00 0.00 N ATOM 0 H LYS A 86 95.673 -5.778 2.050 1.00 0.00 H new ATOM 0 HA LYS A 86 94.443 -7.850 3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.297 -7.339 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.849 -8.128 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 86 94.997 -10.254 1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.576 -9.535 2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 86 93.661 -8.778 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.861 -10.515 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.527 -10.395 -0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.860 -10.310 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.352 -8.545 0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.814 -7.879 1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 91.491 -7.961 -0.454 1.00 0.00 H new ATOM 1417 N LEU A 87 97.666 -8.115 3.245 1.00 0.00 N ATOM 1418 CA LEU A 87 98.842 -8.892 3.704 1.00 0.00 C ATOM 1419 C LEU A 87 99.413 -8.221 4.953 1.00 0.00 C ATOM 1420 O LEU A 87 100.508 -7.700 4.943 1.00 0.00 O ATOM 1421 CB LEU A 87 99.897 -8.904 2.598 1.00 0.00 C ATOM 1422 CG LEU A 87 99.199 -8.974 1.240 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.044 -7.565 0.668 1.00 0.00 C ATOM 1424 CD2 LEU A 87 100.035 -9.817 0.280 1.00 0.00 C ATOM 0 H LEU A 87 97.883 -7.197 2.858 1.00 0.00 H new ATOM 0 HA LEU A 87 98.552 -9.917 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.514 -8.007 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.563 -9.758 2.723 1.00 0.00 H new ATOM 0 HG LEU A 87 98.215 -9.427 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 87 98.546 -7.618 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 87 98.448 -6.959 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.028 -7.112 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.537 -9.867 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 87 101.019 -9.363 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 87 100.147 -10.824 0.683 1.00 0.00 H new ATOM 1436 N CYS A 88 98.675 -8.222 6.028 1.00 0.00 N ATOM 1437 CA CYS A 88 99.175 -7.578 7.274 1.00 0.00 C ATOM 1438 C CYS A 88 99.101 -8.583 8.425 1.00 0.00 C ATOM 1439 O CYS A 88 99.943 -8.605 9.300 1.00 0.00 O ATOM 1440 CB CYS A 88 98.308 -6.360 7.601 1.00 0.00 C ATOM 1441 SG CYS A 88 98.791 -5.689 9.211 1.00 0.00 S ATOM 0 H CYS A 88 97.748 -8.641 6.097 1.00 0.00 H new ATOM 0 HA CYS A 88 100.208 -7.259 7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.424 -5.600 6.829 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.255 -6.643 7.614 1.00 0.00 H new ATOM 0 HG CYS A 88 99.531 -6.555 9.838 1.00 0.00 H new ATOM 1447 N THR A 89 98.098 -9.419 8.425 1.00 0.00 N ATOM 1448 CA THR A 89 97.964 -10.429 9.513 1.00 0.00 C ATOM 1449 C THR A 89 99.331 -11.051 9.799 1.00 0.00 C ATOM 1450 O THR A 89 100.088 -10.563 10.615 1.00 0.00 O ATOM 1451 CB THR A 89 96.986 -11.524 9.074 1.00 0.00 C ATOM 1452 OG1 THR A 89 97.341 -12.751 9.699 1.00 0.00 O ATOM 1453 CG2 THR A 89 97.038 -11.689 7.553 1.00 0.00 C ATOM 0 H THR A 89 97.364 -9.446 7.717 1.00 0.00 H new ATOM 0 HA THR A 89 97.588 -9.946 10.415 1.00 0.00 H new ATOM 0 HB THR A 89 95.975 -11.243 9.368 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.716 -13.453 9.421 1.00 0.00 H new ATOM 0 HG21 THR A 89 96.340 -12.469 7.248 1.00 0.00 H new ATOM 0 HG22 THR A 89 96.763 -10.749 7.075 1.00 0.00 H new ATOM 0 HG23 THR A 89 98.048 -11.967 7.252 1.00 0.00 H new ATOM 1461 N PHE A 90 99.653 -12.122 9.127 1.00 0.00 N ATOM 1462 CA PHE A 90 100.972 -12.780 9.343 1.00 0.00 C ATOM 1463 C PHE A 90 102.061 -11.712 9.464 1.00 0.00 C ATOM 1464 O PHE A 90 102.198 -10.853 8.617 1.00 0.00 O ATOM 1465 CB PHE A 90 101.276 -13.696 8.153 1.00 0.00 C ATOM 1466 CG PHE A 90 101.635 -12.859 6.944 1.00 0.00 C ATOM 1467 CD1 PHE A 90 100.771 -11.845 6.505 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.837 -13.096 6.267 1.00 0.00 C ATOM 1469 CE1 PHE A 90 101.113 -11.070 5.389 1.00 0.00 C ATOM 1470 CE2 PHE A 90 103.176 -12.321 5.151 1.00 0.00 C ATOM 1471 CZ PHE A 90 102.315 -11.308 4.713 1.00 0.00 C ATOM 0 H PHE A 90 99.055 -12.572 8.434 1.00 0.00 H new ATOM 0 HA PHE A 90 100.945 -13.369 10.260 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.098 -14.368 8.399 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.410 -14.320 7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.843 -11.662 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 90 103.503 -13.876 6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 90 100.449 -10.289 5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 90 104.103 -12.505 4.628 1.00 0.00 H new ATOM 0 HZ PHE A 90 102.578 -10.710 3.853 1.00 0.00 H new ATOM 1481 N SER A 91 102.835 -11.755 10.514 1.00 0.00 N ATOM 1482 CA SER A 91 103.911 -10.740 10.689 1.00 0.00 C ATOM 1483 C SER A 91 103.290 -9.341 10.707 1.00 0.00 C ATOM 1484 O SER A 91 102.170 -9.144 10.280 1.00 0.00 O ATOM 1485 CB SER A 91 104.904 -10.841 9.531 1.00 0.00 C ATOM 1486 OG SER A 91 104.496 -11.881 8.651 1.00 0.00 O ATOM 0 H SER A 91 102.768 -12.449 11.258 1.00 0.00 H new ATOM 0 HA SER A 91 104.432 -10.921 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.952 -9.893 8.995 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.905 -11.043 9.912 1.00 0.00 H new ATOM 0 HG SER A 91 103.771 -11.558 8.077 1.00 0.00 H new ATOM 1492 N PHE A 92 104.007 -8.369 11.199 1.00 0.00 N ATOM 1493 CA PHE A 92 103.455 -6.984 11.246 1.00 0.00 C ATOM 1494 C PHE A 92 103.528 -6.356 9.855 1.00 0.00 C ATOM 1495 O PHE A 92 104.091 -6.921 8.943 1.00 0.00 O ATOM 1496 CB PHE A 92 104.274 -6.144 12.227 1.00 0.00 C ATOM 1497 CG PHE A 92 105.671 -5.930 11.688 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.885 -5.088 10.589 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.760 -6.563 12.296 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.181 -4.882 10.108 1.00 0.00 C ATOM 1501 CE2 PHE A 92 108.050 -6.356 11.814 1.00 0.00 C ATOM 1502 CZ PHE A 92 108.264 -5.514 10.721 1.00 0.00 C ATOM 0 H PHE A 92 104.951 -8.473 11.571 1.00 0.00 H new ATOM 0 HA PHE A 92 102.416 -7.019 11.573 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.787 -5.182 12.389 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.322 -6.644 13.194 1.00 0.00 H new ATOM 0 HD1 PHE A 92 105.048 -4.598 10.113 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.600 -7.215 13.142 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.345 -4.233 9.261 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.887 -6.848 12.287 1.00 0.00 H new ATOM 0 HZ PHE A 92 109.265 -5.352 10.351 1.00 0.00 H new ATOM 1512 N LEU A 93 102.970 -5.189 9.684 1.00 0.00 N ATOM 1513 CA LEU A 93 103.021 -4.535 8.346 1.00 0.00 C ATOM 1514 C LEU A 93 103.139 -3.016 8.512 1.00 0.00 C ATOM 1515 O LEU A 93 102.606 -2.436 9.437 1.00 0.00 O ATOM 1516 CB LEU A 93 101.749 -4.867 7.563 1.00 0.00 C ATOM 1517 CG LEU A 93 101.734 -4.080 6.252 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.610 -5.045 5.071 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.544 -3.119 6.252 1.00 0.00 C ATOM 0 H LEU A 93 102.483 -4.662 10.409 1.00 0.00 H new ATOM 0 HA LEU A 93 103.890 -4.904 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.705 -5.937 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.869 -4.620 8.157 1.00 0.00 H new ATOM 0 HG LEU A 93 102.662 -3.515 6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.600 -4.480 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.458 -5.730 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.684 -5.613 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.531 -2.556 5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.618 -3.686 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.634 -2.428 7.091 1.00 0.00 H new ATOM 1531 N ILE A 94 103.831 -2.375 7.611 1.00 0.00 N ATOM 1532 CA ILE A 94 103.993 -0.894 7.688 1.00 0.00 C ATOM 1533 C ILE A 94 103.989 -0.331 6.266 1.00 0.00 C ATOM 1534 O ILE A 94 104.936 0.292 5.827 1.00 0.00 O ATOM 1535 CB ILE A 94 105.321 -0.558 8.380 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.207 -0.872 9.873 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.641 0.930 8.202 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.256 -1.917 10.259 1.00 0.00 C ATOM 0 H ILE A 94 104.295 -2.817 6.818 1.00 0.00 H new ATOM 0 HA ILE A 94 103.177 -0.455 8.262 1.00 0.00 H new ATOM 0 HB ILE A 94 106.118 -1.154 7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 94 105.351 0.036 10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.208 -1.243 10.102 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.585 1.161 8.696 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.721 1.160 7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.845 1.529 8.644 1.00 0.00 H new ATOM 0 HD11 ILE A 94 106.174 -2.140 11.323 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.091 -2.828 9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 94 107.252 -1.529 10.046 1.00 0.00 H new ATOM 1550 N CYS A 95 102.932 -0.558 5.536 1.00 0.00 N ATOM 1551 CA CYS A 95 102.869 -0.047 4.138 1.00 0.00 C ATOM 1552 C CYS A 95 102.455 1.426 4.147 1.00 0.00 C ATOM 1553 O CYS A 95 101.406 1.782 4.646 1.00 0.00 O ATOM 1554 CB CYS A 95 101.843 -0.858 3.342 1.00 0.00 C ATOM 1555 SG CYS A 95 101.754 -0.224 1.650 1.00 0.00 S ATOM 0 H CYS A 95 102.110 -1.075 5.847 1.00 0.00 H new ATOM 0 HA CYS A 95 103.851 -0.145 3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.124 -1.911 3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.864 -0.794 3.818 1.00 0.00 H new ATOM 0 HG CYS A 95 101.544 1.059 1.678 1.00 0.00 H new ATOM 1561 N LYS A 96 103.268 2.285 3.595 1.00 0.00 N ATOM 1562 CA LYS A 96 102.916 3.734 3.570 1.00 0.00 C ATOM 1563 C LYS A 96 103.363 4.342 2.239 1.00 0.00 C ATOM 1564 O LYS A 96 103.829 3.652 1.355 1.00 0.00 O ATOM 1565 CB LYS A 96 103.621 4.451 4.723 1.00 0.00 C ATOM 1566 CG LYS A 96 102.637 5.399 5.412 1.00 0.00 C ATOM 1567 CD LYS A 96 102.286 4.850 6.796 1.00 0.00 C ATOM 1568 CE LYS A 96 101.721 5.974 7.667 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.084 5.728 9.092 1.00 0.00 N ATOM 0 H LYS A 96 104.160 2.047 3.161 1.00 0.00 H new ATOM 0 HA LYS A 96 101.838 3.849 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.003 3.723 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.479 5.010 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.076 6.393 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.734 5.504 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 96 101.556 4.045 6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 96 103.173 4.424 7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 96 102.117 6.936 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 96 100.637 6.022 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.700 6.492 9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 101.686 4.818 9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.119 5.703 9.187 1.00 0.00 H new ATOM 1583 N GLY A 97 103.221 5.631 2.086 1.00 0.00 N ATOM 1584 CA GLY A 97 103.636 6.280 0.810 1.00 0.00 C ATOM 1585 C GLY A 97 105.001 6.942 0.988 1.00 0.00 C ATOM 1586 O GLY A 97 105.512 7.051 2.085 1.00 0.00 O ATOM 0 H GLY A 97 102.836 6.262 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.682 5.539 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.897 7.024 0.512 1.00 0.00 H new ATOM 1590 N VAL A 98 105.597 7.387 -0.084 1.00 0.00 N ATOM 1591 CA VAL A 98 106.929 8.045 0.019 1.00 0.00 C ATOM 1592 C VAL A 98 106.863 9.425 -0.638 1.00 0.00 C ATOM 1593 O VAL A 98 106.295 9.590 -1.699 1.00 0.00 O ATOM 1594 CB VAL A 98 107.979 7.190 -0.692 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.343 7.875 -0.601 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.056 5.816 -0.022 1.00 0.00 C ATOM 0 H VAL A 98 105.218 7.323 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 98 107.202 8.153 1.069 1.00 0.00 H new ATOM 0 HB VAL A 98 107.701 7.071 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.091 7.265 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.291 8.855 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.621 7.994 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.804 5.206 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.334 5.937 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.085 5.325 -0.085 1.00 0.00 H new ATOM 1606 N ASN A 99 107.436 10.419 -0.016 1.00 0.00 N ATOM 1607 CA ASN A 99 107.401 11.785 -0.606 1.00 0.00 C ATOM 1608 C ASN A 99 108.699 12.050 -1.372 1.00 0.00 C ATOM 1609 O ASN A 99 108.798 12.987 -2.139 1.00 0.00 O ATOM 1610 CB ASN A 99 107.250 12.820 0.512 1.00 0.00 C ATOM 1611 CG ASN A 99 106.193 13.851 0.116 1.00 0.00 C ATOM 1612 OD1 ASN A 99 106.433 15.041 0.182 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.023 13.443 -0.298 1.00 0.00 N ATOM 0 H ASN A 99 107.927 10.343 0.875 1.00 0.00 H new ATOM 0 HA ASN A 99 106.556 11.860 -1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 99 106.962 12.328 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 99 108.204 13.314 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.311 14.123 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 99 104.821 12.445 -0.354 1.00 0.00 H new ATOM 1620 N LYS A 100 109.696 11.231 -1.172 1.00 0.00 N ATOM 1621 CA LYS A 100 110.985 11.442 -1.892 1.00 0.00 C ATOM 1622 C LYS A 100 111.578 10.087 -2.289 1.00 0.00 C ATOM 1623 O LYS A 100 112.508 9.606 -1.676 1.00 0.00 O ATOM 1624 CB LYS A 100 111.966 12.176 -0.974 1.00 0.00 C ATOM 1625 CG LYS A 100 111.428 13.573 -0.657 1.00 0.00 C ATOM 1626 CD LYS A 100 112.191 14.614 -1.480 1.00 0.00 C ATOM 1627 CE LYS A 100 113.261 15.270 -0.606 1.00 0.00 C ATOM 1628 NZ LYS A 100 114.168 16.087 -1.462 1.00 0.00 N ATOM 0 H LYS A 100 109.674 10.428 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 100 110.807 12.037 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 100 112.108 11.612 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.942 12.252 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 100 110.363 13.624 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.538 13.784 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 100 112.654 14.141 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 100 111.503 15.369 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.792 15.899 0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 100 113.832 14.507 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 114.896 16.534 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 114.624 15.474 -2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 113.617 16.824 -1.947 1.00 0.00 H new ATOM 1642 N GLU A 101 111.052 9.468 -3.310 1.00 0.00 N ATOM 1643 CA GLU A 101 111.591 8.148 -3.742 1.00 0.00 C ATOM 1644 C GLU A 101 113.122 8.196 -3.746 1.00 0.00 C ATOM 1645 O GLU A 101 113.758 7.829 -2.781 1.00 0.00 O ATOM 1646 CB GLU A 101 111.088 7.823 -5.152 1.00 0.00 C ATOM 1647 CG GLU A 101 110.827 9.117 -5.929 1.00 0.00 C ATOM 1648 CD GLU A 101 110.983 8.854 -7.428 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.724 7.735 -7.842 1.00 0.00 O ATOM 1650 OE2 GLU A 101 111.358 9.774 -8.135 1.00 0.00 O ATOM 0 H GLU A 101 110.271 9.820 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 101 111.253 7.377 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.825 7.216 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.173 7.234 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 101 109.823 9.485 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 101 111.525 9.892 -5.611 1.00 0.00 H new ATOM 1657 N TYR A 102 113.696 8.639 -4.841 1.00 0.00 N ATOM 1658 CA TYR A 102 115.190 8.730 -4.974 1.00 0.00 C ATOM 1659 C TYR A 102 115.880 8.789 -3.606 1.00 0.00 C ATOM 1660 O TYR A 102 116.849 8.098 -3.364 1.00 0.00 O ATOM 1661 CB TYR A 102 115.543 9.990 -5.768 1.00 0.00 C ATOM 1662 CG TYR A 102 117.024 10.000 -6.061 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.513 9.376 -7.215 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.909 10.631 -5.179 1.00 0.00 C ATOM 1665 CE1 TYR A 102 118.886 9.384 -7.487 1.00 0.00 C ATOM 1666 CE2 TYR A 102 119.282 10.639 -5.450 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.771 10.015 -6.605 1.00 0.00 C ATOM 1668 OH TYR A 102 121.124 10.022 -6.872 1.00 0.00 O ATOM 0 H TYR A 102 113.182 8.948 -5.666 1.00 0.00 H new ATOM 0 HA TYR A 102 115.540 7.836 -5.490 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.977 10.017 -6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.267 10.879 -5.201 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.831 8.888 -7.895 1.00 0.00 H new ATOM 0 HD2 TYR A 102 117.532 11.112 -4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.263 8.903 -8.378 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.964 11.126 -4.769 1.00 0.00 H new ATOM 0 HH TYR A 102 121.595 10.503 -6.160 1.00 0.00 H new ATOM 1678 N LEU A 103 115.402 9.609 -2.712 1.00 0.00 N ATOM 1679 CA LEU A 103 116.049 9.703 -1.375 1.00 0.00 C ATOM 1680 C LEU A 103 115.853 8.398 -0.599 1.00 0.00 C ATOM 1681 O LEU A 103 116.793 7.675 -0.342 1.00 0.00 O ATOM 1682 CB LEU A 103 115.437 10.858 -0.594 1.00 0.00 C ATOM 1683 CG LEU A 103 116.540 11.866 -0.282 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.564 11.230 0.655 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.241 12.266 -1.577 1.00 0.00 C ATOM 0 H LEU A 103 114.594 10.216 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 103 117.117 9.877 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.644 11.330 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.984 10.494 0.328 1.00 0.00 H new ATOM 0 HG LEU A 103 116.101 12.744 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.351 11.951 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 103 117.073 10.932 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 103 118.000 10.353 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.029 12.986 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.677 11.382 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.518 12.716 -2.258 1.00 0.00 H new ATOM 1697 N MET A 104 114.641 8.098 -0.216 1.00 0.00 N ATOM 1698 CA MET A 104 114.378 6.844 0.554 1.00 0.00 C ATOM 1699 C MET A 104 115.227 5.696 0.001 1.00 0.00 C ATOM 1700 O MET A 104 115.975 5.065 0.722 1.00 0.00 O ATOM 1701 CB MET A 104 112.897 6.480 0.446 1.00 0.00 C ATOM 1702 CG MET A 104 112.505 5.582 1.621 1.00 0.00 C ATOM 1703 SD MET A 104 110.784 5.903 2.079 1.00 0.00 S ATOM 1704 CE MET A 104 110.747 4.863 3.559 1.00 0.00 C ATOM 0 H MET A 104 113.817 8.669 -0.403 1.00 0.00 H new ATOM 0 HA MET A 104 114.641 7.008 1.599 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.288 7.384 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.705 5.968 -0.497 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.631 4.534 1.349 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.160 5.771 2.471 1.00 0.00 H new ATOM 0 HE1 MET A 104 109.728 4.812 3.943 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.091 3.860 3.307 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.400 5.290 4.320 1.00 0.00 H new ATOM 1714 N TYR A 105 115.119 5.412 -1.269 1.00 0.00 N ATOM 1715 CA TYR A 105 115.923 4.299 -1.850 1.00 0.00 C ATOM 1716 C TYR A 105 117.410 4.543 -1.575 1.00 0.00 C ATOM 1717 O TYR A 105 118.134 3.645 -1.201 1.00 0.00 O ATOM 1718 CB TYR A 105 115.690 4.224 -3.360 1.00 0.00 C ATOM 1719 CG TYR A 105 116.688 3.271 -3.976 1.00 0.00 C ATOM 1720 CD1 TYR A 105 117.969 3.725 -4.317 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.337 1.934 -4.203 1.00 0.00 C ATOM 1722 CE1 TYR A 105 118.895 2.846 -4.885 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.265 1.055 -4.770 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.544 1.510 -5.112 1.00 0.00 C ATOM 1725 OH TYR A 105 119.459 0.641 -5.672 1.00 0.00 O ATOM 0 H TYR A 105 114.511 5.900 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 105 115.617 3.359 -1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.674 3.887 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.794 5.214 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.241 4.755 -4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.350 1.582 -3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 105 119.882 3.197 -5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 105 116.995 0.024 -4.944 1.00 0.00 H new ATOM 0 HH TYR A 105 119.055 -0.247 -5.760 1.00 0.00 H new ATOM 1735 N SER A 106 117.869 5.752 -1.758 1.00 0.00 N ATOM 1736 CA SER A 106 119.309 6.047 -1.507 1.00 0.00 C ATOM 1737 C SER A 106 119.679 5.622 -0.083 1.00 0.00 C ATOM 1738 O SER A 106 120.493 4.745 0.122 1.00 0.00 O ATOM 1739 CB SER A 106 119.557 7.546 -1.672 1.00 0.00 C ATOM 1740 OG SER A 106 120.938 7.818 -1.475 1.00 0.00 O ATOM 0 H SER A 106 117.310 6.546 -2.070 1.00 0.00 H new ATOM 0 HA SER A 106 119.922 5.496 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 106 119.249 7.870 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 106 118.958 8.107 -0.954 1.00 0.00 H new ATOM 0 HG SER A 106 121.101 8.778 -1.582 1.00 0.00 H new ATOM 1746 N ALA A 107 119.087 6.240 0.903 1.00 0.00 N ATOM 1747 CA ALA A 107 119.405 5.870 2.309 1.00 0.00 C ATOM 1748 C ALA A 107 119.057 4.397 2.536 1.00 0.00 C ATOM 1749 O ALA A 107 119.490 3.787 3.492 1.00 0.00 O ATOM 1750 CB ALA A 107 118.586 6.742 3.264 1.00 0.00 C ATOM 0 H ALA A 107 118.398 6.984 0.794 1.00 0.00 H new ATOM 0 HA ALA A 107 120.467 6.027 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.819 6.471 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.832 7.791 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.523 6.585 3.079 1.00 0.00 H new ATOM 1756 N LEU A 108 118.277 3.822 1.661 1.00 0.00 N ATOM 1757 CA LEU A 108 117.900 2.389 1.825 1.00 0.00 C ATOM 1758 C LEU A 108 119.051 1.499 1.349 1.00 0.00 C ATOM 1759 O LEU A 108 119.247 0.405 1.841 1.00 0.00 O ATOM 1760 CB LEU A 108 116.647 2.092 0.996 1.00 0.00 C ATOM 1761 CG LEU A 108 115.405 2.243 1.877 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.160 1.851 1.078 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.534 1.329 3.098 1.00 0.00 C ATOM 0 H LEU A 108 117.885 4.283 0.840 1.00 0.00 H new ATOM 0 HA LEU A 108 117.696 2.186 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.589 2.774 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.697 1.082 0.590 1.00 0.00 H new ATOM 0 HG LEU A 108 115.315 3.279 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.276 1.959 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.068 2.500 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.249 0.815 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.650 1.435 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.623 0.294 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.420 1.607 3.668 1.00 0.00 H new ATOM 1775 N THR A 109 119.813 1.958 0.395 1.00 0.00 N ATOM 1776 CA THR A 109 120.951 1.137 -0.111 1.00 0.00 C ATOM 1777 C THR A 109 122.138 1.268 0.845 1.00 0.00 C ATOM 1778 O THR A 109 122.916 0.350 1.012 1.00 0.00 O ATOM 1779 CB THR A 109 121.361 1.632 -1.500 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.059 2.863 -1.375 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.114 1.835 -2.362 1.00 0.00 C ATOM 0 H THR A 109 119.698 2.865 -0.056 1.00 0.00 H new ATOM 0 HA THR A 109 120.645 0.093 -0.173 1.00 0.00 H new ATOM 0 HB THR A 109 122.008 0.893 -1.972 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.521 3.492 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.408 2.187 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.580 0.890 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.463 2.573 -1.893 1.00 0.00 H new ATOM 1789 N ARG A 110 122.284 2.403 1.472 1.00 0.00 N ATOM 1790 CA ARG A 110 123.422 2.589 2.415 1.00 0.00 C ATOM 1791 C ARG A 110 123.006 2.124 3.813 1.00 0.00 C ATOM 1792 O ARG A 110 121.856 2.217 4.191 1.00 0.00 O ATOM 1793 CB ARG A 110 123.806 4.070 2.462 1.00 0.00 C ATOM 1794 CG ARG A 110 122.578 4.905 2.829 1.00 0.00 C ATOM 1795 CD ARG A 110 122.961 5.938 3.890 1.00 0.00 C ATOM 1796 NE ARG A 110 122.772 7.309 3.340 1.00 0.00 N ATOM 1797 CZ ARG A 110 123.729 8.190 3.441 1.00 0.00 C ATOM 1798 NH1 ARG A 110 124.668 8.242 2.535 1.00 0.00 N ATOM 1799 NH2 ARG A 110 123.748 9.022 4.447 1.00 0.00 N ATOM 0 H ARG A 110 121.666 3.208 1.372 1.00 0.00 H new ATOM 0 HA ARG A 110 124.276 2.002 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 110 124.598 4.228 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.198 4.386 1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 110 122.188 5.406 1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 110 121.785 4.259 3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 110 122.347 5.804 4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 110 123.998 5.796 4.193 1.00 0.00 H new ATOM 0 HE ARG A 110 121.894 7.559 2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 110 124.654 7.594 1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 110 125.416 8.931 2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 110 123.014 8.983 5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 110 124.496 9.710 4.525 1.00 0.00 H new ATOM 1813 N ASP A 111 123.933 1.625 4.583 1.00 0.00 N ATOM 1814 CA ASP A 111 123.588 1.156 5.954 1.00 0.00 C ATOM 1815 C ASP A 111 122.817 2.257 6.688 1.00 0.00 C ATOM 1816 O ASP A 111 122.908 3.416 6.335 1.00 0.00 O ATOM 1817 CB ASP A 111 124.871 0.832 6.722 1.00 0.00 C ATOM 1818 CG ASP A 111 125.896 1.944 6.495 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.721 3.010 7.063 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.841 1.711 5.758 1.00 0.00 O ATOM 0 H ASP A 111 124.914 1.522 4.322 1.00 0.00 H new ATOM 0 HA ASP A 111 122.970 0.260 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 111 124.655 0.733 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.276 -0.124 6.389 1.00 0.00 H new ATOM 1825 N PRO A 112 122.079 1.858 7.693 1.00 0.00 N ATOM 1826 CA PRO A 112 121.977 0.447 8.113 1.00 0.00 C ATOM 1827 C PRO A 112 121.024 -0.328 7.195 1.00 0.00 C ATOM 1828 O PRO A 112 120.652 -1.449 7.480 1.00 0.00 O ATOM 1829 CB PRO A 112 121.407 0.538 9.530 1.00 0.00 C ATOM 1830 CG PRO A 112 120.692 1.907 9.626 1.00 0.00 C ATOM 1831 CD PRO A 112 121.276 2.790 8.508 1.00 0.00 C ATOM 0 HA PRO A 112 122.931 -0.079 8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 112 120.710 -0.278 9.722 1.00 0.00 H new ATOM 0 HB3 PRO A 112 122.200 0.461 10.273 1.00 0.00 H new ATOM 0 HG2 PRO A 112 119.615 1.791 9.505 1.00 0.00 H new ATOM 0 HG3 PRO A 112 120.855 2.361 10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.488 3.258 7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 112 121.890 3.594 8.915 1.00 0.00 H new ATOM 1839 N PHE A 113 120.621 0.258 6.100 1.00 0.00 N ATOM 1840 CA PHE A 113 119.690 -0.452 5.177 1.00 0.00 C ATOM 1841 C PHE A 113 120.488 -1.107 4.050 1.00 0.00 C ATOM 1842 O PHE A 113 120.984 -0.446 3.159 1.00 0.00 O ATOM 1843 CB PHE A 113 118.695 0.551 4.588 1.00 0.00 C ATOM 1844 CG PHE A 113 117.937 1.213 5.713 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.057 0.461 6.498 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.122 2.574 5.978 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.362 1.068 7.547 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.426 3.183 7.026 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.545 2.431 7.812 1.00 0.00 C ATOM 0 H PHE A 113 120.895 1.195 5.805 1.00 0.00 H new ATOM 0 HA PHE A 113 119.147 -1.221 5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.222 1.300 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.003 0.044 3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 113 116.915 -0.590 6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 113 118.803 3.154 5.373 1.00 0.00 H new ATOM 0 HE1 PHE A 113 115.684 0.486 8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.568 4.234 7.229 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.007 2.901 8.622 1.00 0.00 H new ATOM 1859 N SER A 114 120.614 -2.405 4.081 1.00 0.00 N ATOM 1860 CA SER A 114 121.379 -3.106 3.011 1.00 0.00 C ATOM 1861 C SER A 114 120.434 -3.456 1.860 1.00 0.00 C ATOM 1862 O SER A 114 119.250 -3.194 1.917 1.00 0.00 O ATOM 1863 CB SER A 114 121.994 -4.386 3.576 1.00 0.00 C ATOM 1864 OG SER A 114 122.856 -4.961 2.602 1.00 0.00 O ATOM 0 H SER A 114 120.220 -3.011 4.801 1.00 0.00 H new ATOM 0 HA SER A 114 122.174 -2.456 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 114 122.551 -4.165 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.209 -5.092 3.846 1.00 0.00 H new ATOM 0 HG SER A 114 123.254 -5.781 2.961 1.00 0.00 H new ATOM 1870 N VAL A 115 120.948 -4.045 0.816 1.00 0.00 N ATOM 1871 CA VAL A 115 120.077 -4.409 -0.337 1.00 0.00 C ATOM 1872 C VAL A 115 119.989 -5.931 -0.454 1.00 0.00 C ATOM 1873 O VAL A 115 120.907 -6.645 -0.103 1.00 0.00 O ATOM 1874 CB VAL A 115 120.672 -3.833 -1.624 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.656 -3.962 -2.759 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.012 -2.357 -1.410 1.00 0.00 C ATOM 0 H VAL A 115 121.933 -4.290 0.711 1.00 0.00 H new ATOM 0 HA VAL A 115 119.079 -4.000 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 115 121.577 -4.382 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.080 -3.552 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.412 -5.013 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.750 -3.413 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.436 -1.945 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.106 -1.809 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.736 -2.264 -0.601 1.00 0.00 H new ATOM 1886 N ILE A 116 118.889 -6.435 -0.947 1.00 0.00 N ATOM 1887 CA ILE A 116 118.743 -7.911 -1.088 1.00 0.00 C ATOM 1888 C ILE A 116 118.465 -8.258 -2.552 1.00 0.00 C ATOM 1889 O ILE A 116 119.274 -8.872 -3.218 1.00 0.00 O ATOM 1890 CB ILE A 116 117.580 -8.398 -0.222 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.579 -7.638 1.105 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.734 -9.895 0.049 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.303 -7.970 1.879 1.00 0.00 C ATOM 0 H ILE A 116 118.086 -5.888 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 116 119.664 -8.397 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 116 116.640 -8.219 -0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.455 -7.910 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.638 -6.565 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.905 -10.240 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.734 -10.438 -0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.674 -10.076 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.300 -7.429 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.434 -7.676 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.264 -9.042 2.074 1.00 0.00 H new ATOM 1905 N GLU A 117 117.325 -7.871 -3.057 1.00 0.00 N ATOM 1906 CA GLU A 117 116.999 -8.183 -4.478 1.00 0.00 C ATOM 1907 C GLU A 117 116.367 -6.957 -5.143 1.00 0.00 C ATOM 1908 O GLU A 117 116.083 -5.968 -4.500 1.00 0.00 O ATOM 1909 CB GLU A 117 116.013 -9.352 -4.530 1.00 0.00 C ATOM 1910 CG GLU A 117 116.454 -10.346 -5.607 1.00 0.00 C ATOM 1911 CD GLU A 117 116.967 -11.625 -4.941 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.531 -11.911 -3.839 1.00 0.00 O ATOM 1913 OE2 GLU A 117 117.786 -12.295 -5.547 1.00 0.00 O ATOM 0 H GLU A 117 116.607 -7.354 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 117 117.914 -8.451 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 117 115.968 -9.847 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.010 -8.986 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 117 115.618 -10.577 -6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.237 -9.906 -6.225 1.00 0.00 H new ATOM 1920 N GLU A 118 116.144 -7.019 -6.427 1.00 0.00 N ATOM 1921 CA GLU A 118 115.528 -5.860 -7.138 1.00 0.00 C ATOM 1922 C GLU A 118 115.414 -6.179 -8.629 1.00 0.00 C ATOM 1923 O GLU A 118 116.305 -6.755 -9.220 1.00 0.00 O ATOM 1924 CB GLU A 118 116.390 -4.602 -6.958 1.00 0.00 C ATOM 1925 CG GLU A 118 117.808 -4.986 -6.527 1.00 0.00 C ATOM 1926 CD GLU A 118 118.797 -3.927 -7.019 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.380 -3.057 -7.764 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.954 -4.004 -6.640 1.00 0.00 O ATOM 0 H GLU A 118 116.362 -7.823 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 118 114.539 -5.678 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.426 -4.041 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 118 115.940 -3.949 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 118 117.859 -5.070 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.071 -5.962 -6.935 1.00 0.00 H new ATOM 1935 N SER A 119 114.325 -5.804 -9.243 1.00 0.00 N ATOM 1936 CA SER A 119 114.159 -6.082 -10.697 1.00 0.00 C ATOM 1937 C SER A 119 114.994 -5.082 -11.500 1.00 0.00 C ATOM 1938 O SER A 119 115.363 -5.332 -12.630 1.00 0.00 O ATOM 1939 CB SER A 119 112.686 -5.940 -11.079 1.00 0.00 C ATOM 1940 OG SER A 119 112.103 -4.888 -10.321 1.00 0.00 O ATOM 0 H SER A 119 113.545 -5.318 -8.801 1.00 0.00 H new ATOM 0 HA SER A 119 114.492 -7.096 -10.916 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.593 -5.730 -12.145 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.158 -6.875 -10.891 1.00 0.00 H new ATOM 0 HG SER A 119 111.211 -4.686 -10.673 1.00 0.00 H new ATOM 1946 N LEU A 120 115.297 -3.950 -10.922 1.00 0.00 N ATOM 1947 CA LEU A 120 116.110 -2.935 -11.652 1.00 0.00 C ATOM 1948 C LEU A 120 117.599 -3.209 -11.416 1.00 0.00 C ATOM 1949 O LEU A 120 117.982 -3.659 -10.355 1.00 0.00 O ATOM 1950 CB LEU A 120 115.768 -1.533 -11.133 1.00 0.00 C ATOM 1951 CG LEU A 120 114.460 -1.046 -11.764 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.249 0.432 -11.422 1.00 0.00 C ATOM 1953 CD2 LEU A 120 114.531 -1.210 -13.284 1.00 0.00 C ATOM 0 H LEU A 120 115.017 -3.685 -9.978 1.00 0.00 H new ATOM 0 HA LEU A 120 115.889 -2.994 -12.718 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.673 -1.551 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.576 -0.841 -11.371 1.00 0.00 H new ATOM 0 HG LEU A 120 113.629 -1.634 -11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.318 0.780 -11.870 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.197 0.551 -10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.081 1.018 -11.812 1.00 0.00 H new ATOM 0 HD21 LEU A 120 113.600 -0.863 -13.731 1.00 0.00 H new ATOM 0 HD22 LEU A 120 115.362 -0.623 -13.675 1.00 0.00 H new ATOM 0 HD23 LEU A 120 114.682 -2.261 -13.530 1.00 0.00 H new ATOM 1965 N PRO A 121 118.394 -2.925 -12.419 1.00 0.00 N ATOM 1966 CA PRO A 121 119.854 -3.121 -12.359 1.00 0.00 C ATOM 1967 C PRO A 121 120.520 -1.947 -11.631 1.00 0.00 C ATOM 1968 O PRO A 121 121.354 -1.258 -12.183 1.00 0.00 O ATOM 1969 CB PRO A 121 120.269 -3.142 -13.832 1.00 0.00 C ATOM 1970 CG PRO A 121 119.157 -2.397 -14.612 1.00 0.00 C ATOM 1971 CD PRO A 121 117.909 -2.392 -13.708 1.00 0.00 C ATOM 0 HA PRO A 121 120.144 -4.023 -11.820 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.234 -2.654 -13.970 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.375 -4.166 -14.191 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.467 -1.379 -14.850 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.947 -2.896 -15.558 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.502 -1.387 -13.596 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.115 -3.013 -14.122 1.00 0.00 H new ATOM 1979 N GLY A 122 120.160 -1.715 -10.398 1.00 0.00 N ATOM 1980 CA GLY A 122 120.775 -0.586 -9.644 1.00 0.00 C ATOM 1981 C GLY A 122 119.696 0.437 -9.286 1.00 0.00 C ATOM 1982 O GLY A 122 119.782 1.596 -9.642 1.00 0.00 O ATOM 0 H GLY A 122 119.468 -2.257 -9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.253 -0.958 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.553 -0.115 -10.245 1.00 0.00 H new ATOM 1986 N GLY A 123 118.678 0.018 -8.583 1.00 0.00 N ATOM 1987 CA GLY A 123 117.594 0.968 -8.203 1.00 0.00 C ATOM 1988 C GLY A 123 117.083 1.688 -9.452 1.00 0.00 C ATOM 1989 O GLY A 123 116.571 1.078 -10.367 1.00 0.00 O ATOM 0 H GLY A 123 118.551 -0.940 -8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.778 0.430 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 123 117.969 1.693 -7.480 1.00 0.00 H new ATOM 1993 N LEU A 124 117.213 2.986 -9.491 1.00 0.00 N ATOM 1994 CA LEU A 124 116.729 3.754 -10.673 1.00 0.00 C ATOM 1995 C LEU A 124 117.705 4.890 -10.977 1.00 0.00 C ATOM 1996 O LEU A 124 118.890 4.784 -10.733 1.00 0.00 O ATOM 1997 CB LEU A 124 115.367 4.351 -10.355 1.00 0.00 C ATOM 1998 CG LEU A 124 114.511 3.316 -9.640 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.927 3.236 -8.172 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.052 3.737 -9.737 1.00 0.00 C ATOM 0 H LEU A 124 117.635 3.549 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 124 116.656 3.089 -11.534 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.484 5.236 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.876 4.672 -11.274 1.00 0.00 H new ATOM 0 HG LEU A 124 114.645 2.338 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 124 114.314 2.495 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 124 115.976 2.947 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.788 4.209 -7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.427 3.003 -9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.923 4.712 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 124 112.760 3.798 -10.785 1.00 0.00 H new