USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 898 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: B 74 ASN : amide:sc= -0.462 K(o=-0.46,f=-2!) USER MOD Set 1.2: B 75 SER OG : rot 180:sc= 0.00325 USER MOD Set 2.1: B 27 CYS SG : rot 95:sc= -16.8! USER MOD Set 2.2: B 50 CYS SG : rot 175:sc= -14.7! USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.00927 USER MOD Single : B 5 ASN : amide:sc= -0.0897 X(o=-0.09,f=-0.09) USER MOD Single : B 7 ASN : amide:sc= 0.355 X(o=0.35,f=-0.11) USER MOD Single : B 9 MET CE :methyl 158:sc= -0.278 (180deg=-1.04) USER MOD Single : B -1 LYS NZ :NH3+ -150:sc= -1.44 (180deg=-2.92!) USER MOD Single : B -7 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : B -8 HIS : no HD1:sc=-0.00207 X(o=-0.0021,f=0) USER MOD Single : B -9 HIS : no HD1:sc= -0.195 K(o=-0.19,f=-0.92) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.274 USER MOD Single : B 11 LYS NZ :NH3+ 162:sc= 1.7 (180deg=1.15) USER MOD Single : B 16 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 MET CE :methyl -158:sc= 0 (180deg=-0.732) USER MOD Single : B 19 THR OG1 : rot -94:sc= -0.982! USER MOD Single : B 28 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.23) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 37 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0575) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ -165:sc= -0.0353 (180deg=-0.249) USER MOD Single : B 45 MET CE :methyl 178:sc= -0.851 (180deg=-0.94) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot -150:sc= 1.17 USER MOD Single : B 49 GLN : amide:sc= 0.179 X(o=0.18,f=0) USER MOD Single : B 52 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot -84:sc= 1.3 USER MOD Single : B 58 THR OG1 : rot 170:sc= -1.86! USER MOD Single : B 59 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.15) USER MOD Single : B 60 LYS NZ :NH3+ 159:sc= 1.04 (180deg=0.143!) USER MOD Single : B 62 GLN : amide:sc= -0.221 K(o=-0.22,f=-0.83) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 69 MET CE :methyl 180:sc= -1.46 (180deg=-1.46) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 THR OG1 : rot -160:sc= 0.157 USER MOD Single : B 80 THR OG1 : rot 71:sc= 0.233 USER MOD Single : B 84 SER OG : rot 80:sc= 1.24 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0381) USER MOD Single : B 97 HIS : no HE2:sc= 0.907 K(o=0.91,f=-7.2!) USER MOD Single : B -10 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : B -11 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : B -12 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : B -14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -14 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -14 -5.838 5.512 -20.302 1.00 0.00 N ATOM 2 CA MET B -14 -5.665 6.574 -21.318 1.00 0.00 C ATOM 3 C MET B -14 -4.246 7.138 -21.294 1.00 0.00 C ATOM 4 O MET B -14 -3.547 7.115 -22.307 1.00 0.00 O ATOM 5 CB MET B -14 -6.690 7.692 -21.096 1.00 0.00 C ATOM 6 CG MET B -14 -6.455 8.924 -21.955 1.00 0.00 C ATOM 7 SD MET B -14 -6.437 8.554 -23.719 1.00 0.00 S ATOM 8 CE MET B -14 -6.141 10.189 -24.391 1.00 0.00 C ATOM 0 H1 MET B -14 -6.811 5.148 -20.342 1.00 0.00 H new ATOM 0 H2 MET B -14 -5.171 4.737 -20.493 1.00 0.00 H new ATOM 0 H3 MET B -14 -5.653 5.903 -19.356 1.00 0.00 H new ATOM 0 HA MET B -14 -5.832 6.132 -22.300 1.00 0.00 H new ATOM 0 HB2 MET B -14 -7.687 7.303 -21.301 1.00 0.00 H new ATOM 0 HB3 MET B -14 -6.672 7.985 -20.046 1.00 0.00 H new ATOM 0 HG2 MET B -14 -7.235 9.658 -21.750 1.00 0.00 H new ATOM 0 HG3 MET B -14 -5.506 9.381 -21.675 1.00 0.00 H new ATOM 0 HE1 MET B -14 -6.102 10.134 -25.479 1.00 0.00 H new ATOM 0 HE2 MET B -14 -6.948 10.857 -24.091 1.00 0.00 H new ATOM 0 HE3 MET B -14 -5.193 10.572 -24.013 1.00 0.00 H new ATOM 20 N ALA B -13 -3.814 7.636 -20.142 1.00 0.00 N ATOM 21 CA ALA B -13 -2.495 8.251 -20.031 1.00 0.00 C ATOM 22 C ALA B -13 -1.397 7.207 -19.858 1.00 0.00 C ATOM 23 O ALA B -13 -0.279 7.383 -20.341 1.00 0.00 O ATOM 24 CB ALA B -13 -2.465 9.241 -18.877 1.00 0.00 C ATOM 0 H ALA B -13 -4.353 7.627 -19.276 1.00 0.00 H new ATOM 0 HA ALA B -13 -2.303 8.783 -20.963 1.00 0.00 H new ATOM 0 HB1 ALA B -13 -1.474 9.690 -18.809 1.00 0.00 H new ATOM 0 HB2 ALA B -13 -3.206 10.022 -19.048 1.00 0.00 H new ATOM 0 HB3 ALA B -13 -2.693 8.722 -17.946 1.00 0.00 H new ATOM 30 N HIS B -12 -1.715 6.114 -19.182 1.00 0.00 N ATOM 31 CA HIS B -12 -0.721 5.089 -18.890 1.00 0.00 C ATOM 32 C HIS B -12 -0.702 4.011 -19.969 1.00 0.00 C ATOM 33 O HIS B -12 -1.013 2.852 -19.702 1.00 0.00 O ATOM 34 CB HIS B -12 -0.986 4.445 -17.525 1.00 0.00 C ATOM 35 CG HIS B -12 -0.801 5.372 -16.362 1.00 0.00 C ATOM 36 ND1 HIS B -12 -1.715 5.484 -15.337 1.00 0.00 N ATOM 37 CD2 HIS B -12 0.213 6.214 -16.053 1.00 0.00 C ATOM 38 CE1 HIS B -12 -1.272 6.354 -14.451 1.00 0.00 C ATOM 39 NE2 HIS B -12 -0.105 6.812 -14.860 1.00 0.00 N ATOM 0 H HIS B -12 -2.649 5.913 -18.826 1.00 0.00 H new ATOM 0 HA HIS B -12 0.253 5.579 -18.870 1.00 0.00 H new ATOM 0 HB2 HIS B -12 -2.005 4.060 -17.509 1.00 0.00 H new ATOM 0 HB3 HIS B -12 -0.320 3.590 -17.404 1.00 0.00 H new ATOM 0 HD2 HIS B -12 1.106 6.383 -16.637 1.00 0.00 H new ATOM 0 HE1 HIS B -12 -1.780 6.643 -13.543 1.00 0.00 H new ATOM 0 HE2 HIS B -12 0.468 7.499 -14.369 1.00 0.00 H new ATOM 48 N HIS B -11 -0.339 4.385 -21.187 1.00 0.00 N ATOM 49 CA HIS B -11 -0.236 3.411 -22.269 1.00 0.00 C ATOM 50 C HIS B -11 1.107 2.704 -22.213 1.00 0.00 C ATOM 51 O HIS B -11 1.181 1.476 -22.267 1.00 0.00 O ATOM 52 CB HIS B -11 -0.429 4.074 -23.635 1.00 0.00 C ATOM 53 CG HIS B -11 -1.867 4.250 -24.015 1.00 0.00 C ATOM 54 ND1 HIS B -11 -2.282 4.485 -25.307 1.00 0.00 N ATOM 55 CD2 HIS B -11 -2.992 4.214 -23.265 1.00 0.00 C ATOM 56 CE1 HIS B -11 -3.596 4.588 -25.333 1.00 0.00 C ATOM 57 NE2 HIS B -11 -4.055 4.425 -24.107 1.00 0.00 N ATOM 0 H HIS B -11 -0.113 5.344 -21.451 1.00 0.00 H new ATOM 0 HA HIS B -11 -1.031 2.677 -22.137 1.00 0.00 H new ATOM 0 HB2 HIS B -11 0.059 5.049 -23.629 1.00 0.00 H new ATOM 0 HB3 HIS B -11 0.069 3.473 -24.396 1.00 0.00 H new ATOM 0 HD2 HIS B -11 -3.044 4.049 -22.199 1.00 0.00 H new ATOM 0 HE1 HIS B -11 -4.196 4.775 -26.211 1.00 0.00 H new ATOM 0 HE2 HIS B -11 -5.037 4.451 -23.831 1.00 0.00 H new ATOM 66 N HIS B -10 2.164 3.486 -22.084 1.00 0.00 N ATOM 67 CA HIS B -10 3.506 2.943 -21.973 1.00 0.00 C ATOM 68 C HIS B -10 3.841 2.718 -20.505 1.00 0.00 C ATOM 69 O HIS B -10 4.385 3.598 -19.840 1.00 0.00 O ATOM 70 CB HIS B -10 4.517 3.899 -22.620 1.00 0.00 C ATOM 71 CG HIS B -10 5.899 3.328 -22.762 1.00 0.00 C ATOM 72 ND1 HIS B -10 6.411 2.890 -23.964 1.00 0.00 N ATOM 73 CD2 HIS B -10 6.885 3.147 -21.850 1.00 0.00 C ATOM 74 CE1 HIS B -10 7.647 2.463 -23.785 1.00 0.00 C ATOM 75 NE2 HIS B -10 7.960 2.609 -22.513 1.00 0.00 N ATOM 0 H HIS B -10 2.118 4.505 -22.053 1.00 0.00 H new ATOM 0 HA HIS B -10 3.557 1.989 -22.497 1.00 0.00 H new ATOM 0 HB2 HIS B -10 4.151 4.185 -23.606 1.00 0.00 H new ATOM 0 HB3 HIS B -10 4.572 4.810 -22.024 1.00 0.00 H new ATOM 0 HD2 HIS B -10 6.834 3.382 -20.797 1.00 0.00 H new ATOM 0 HE1 HIS B -10 8.293 2.062 -24.552 1.00 0.00 H new ATOM 0 HE2 HIS B -10 8.855 2.362 -22.090 1.00 0.00 H new ATOM 84 N HIS B -9 3.494 1.541 -19.999 1.00 0.00 N ATOM 85 CA HIS B -9 3.746 1.204 -18.604 1.00 0.00 C ATOM 86 C HIS B -9 5.234 0.952 -18.383 1.00 0.00 C ATOM 87 O HIS B -9 5.942 1.794 -17.834 1.00 0.00 O ATOM 88 CB HIS B -9 2.947 -0.038 -18.181 1.00 0.00 C ATOM 89 CG HIS B -9 1.460 0.112 -18.285 1.00 0.00 C ATOM 90 ND1 HIS B -9 0.696 -0.596 -19.188 1.00 0.00 N ATOM 91 CD2 HIS B -9 0.591 0.867 -17.573 1.00 0.00 C ATOM 92 CE1 HIS B -9 -0.577 -0.282 -19.026 1.00 0.00 C ATOM 93 NE2 HIS B -9 -0.668 0.602 -18.051 1.00 0.00 N ATOM 0 H HIS B -9 3.037 0.803 -20.535 1.00 0.00 H new ATOM 0 HA HIS B -9 3.425 2.048 -17.993 1.00 0.00 H new ATOM 0 HB2 HIS B -9 3.258 -0.881 -18.798 1.00 0.00 H new ATOM 0 HB3 HIS B -9 3.203 -0.285 -17.151 1.00 0.00 H new ATOM 0 HD2 HIS B -9 0.842 1.551 -16.776 1.00 0.00 H new ATOM 0 HE1 HIS B -9 -1.403 -0.681 -19.595 1.00 0.00 H new ATOM 0 HE2 HIS B -9 -1.533 1.020 -17.708 1.00 0.00 H new ATOM 102 N HIS B -8 5.701 -0.210 -18.822 1.00 0.00 N ATOM 103 CA HIS B -8 7.102 -0.591 -18.676 1.00 0.00 C ATOM 104 C HIS B -8 7.537 -1.463 -19.850 1.00 0.00 C ATOM 105 O HIS B -8 8.116 -0.965 -20.814 1.00 0.00 O ATOM 106 CB HIS B -8 7.344 -1.350 -17.361 1.00 0.00 C ATOM 107 CG HIS B -8 7.331 -0.499 -16.126 1.00 0.00 C ATOM 108 ND1 HIS B -8 8.473 0.013 -15.556 1.00 0.00 N ATOM 109 CD2 HIS B -8 6.309 -0.091 -15.339 1.00 0.00 C ATOM 110 CE1 HIS B -8 8.158 0.693 -14.472 1.00 0.00 C ATOM 111 NE2 HIS B -8 6.850 0.647 -14.317 1.00 0.00 N ATOM 0 H HIS B -8 5.124 -0.912 -19.287 1.00 0.00 H new ATOM 0 HA HIS B -8 7.692 0.325 -18.660 1.00 0.00 H new ATOM 0 HB2 HIS B -8 6.582 -2.123 -17.260 1.00 0.00 H new ATOM 0 HB3 HIS B -8 8.306 -1.858 -17.424 1.00 0.00 H new ATOM 0 HD2 HIS B -8 5.261 -0.306 -15.488 1.00 0.00 H new ATOM 0 HE1 HIS B -8 8.854 1.202 -13.821 1.00 0.00 H new ATOM 0 HE2 HIS B -8 6.326 1.088 -13.561 1.00 0.00 H new ATOM 120 N HIS B -7 7.243 -2.764 -19.760 1.00 0.00 N ATOM 121 CA HIS B -7 7.657 -3.748 -20.773 1.00 0.00 C ATOM 122 C HIS B -7 9.182 -3.838 -20.877 1.00 0.00 C ATOM 123 O HIS B -7 9.723 -4.396 -21.834 1.00 0.00 O ATOM 124 CB HIS B -7 7.053 -3.431 -22.147 1.00 0.00 C ATOM 125 CG HIS B -7 5.585 -3.719 -22.252 1.00 0.00 C ATOM 126 ND1 HIS B -7 4.843 -3.437 -23.379 1.00 0.00 N ATOM 127 CD2 HIS B -7 4.720 -4.263 -21.364 1.00 0.00 C ATOM 128 CE1 HIS B -7 3.589 -3.796 -23.178 1.00 0.00 C ATOM 129 NE2 HIS B -7 3.490 -4.301 -21.965 1.00 0.00 N ATOM 0 H HIS B -7 6.713 -3.167 -18.987 1.00 0.00 H new ATOM 0 HA HIS B -7 7.277 -4.716 -20.447 1.00 0.00 H new ATOM 0 HB2 HIS B -7 7.223 -2.378 -22.372 1.00 0.00 H new ATOM 0 HB3 HIS B -7 7.581 -4.009 -22.906 1.00 0.00 H new ATOM 0 HD2 HIS B -7 4.956 -4.604 -20.367 1.00 0.00 H new ATOM 0 HE1 HIS B -7 2.781 -3.693 -23.887 1.00 0.00 H new ATOM 0 HE2 HIS B -7 2.635 -4.662 -21.542 1.00 0.00 H new ATOM 138 N VAL B -6 9.862 -3.285 -19.885 1.00 0.00 N ATOM 139 CA VAL B -6 11.312 -3.344 -19.804 1.00 0.00 C ATOM 140 C VAL B -6 11.725 -3.591 -18.362 1.00 0.00 C ATOM 141 O VAL B -6 11.096 -3.075 -17.433 1.00 0.00 O ATOM 142 CB VAL B -6 11.987 -2.047 -20.318 1.00 0.00 C ATOM 143 CG1 VAL B -6 11.805 -1.893 -21.820 1.00 0.00 C ATOM 144 CG2 VAL B -6 11.445 -0.826 -19.590 1.00 0.00 C ATOM 0 H VAL B -6 9.423 -2.783 -19.113 1.00 0.00 H new ATOM 0 HA VAL B -6 11.644 -4.161 -20.445 1.00 0.00 H new ATOM 0 HB VAL B -6 13.054 -2.125 -20.110 1.00 0.00 H new ATOM 0 HG11 VAL B -6 12.289 -0.975 -22.153 1.00 0.00 H new ATOM 0 HG12 VAL B -6 12.254 -2.745 -22.330 1.00 0.00 H new ATOM 0 HG13 VAL B -6 10.742 -1.849 -22.055 1.00 0.00 H new ATOM 0 HG21 VAL B -6 11.935 0.071 -19.969 1.00 0.00 H new ATOM 0 HG22 VAL B -6 10.370 -0.750 -19.756 1.00 0.00 H new ATOM 0 HG23 VAL B -6 11.641 -0.922 -18.522 1.00 0.00 H new ATOM 154 N ASP B -5 12.759 -4.389 -18.172 1.00 0.00 N ATOM 155 CA ASP B -5 13.208 -4.731 -16.834 1.00 0.00 C ATOM 156 C ASP B -5 14.725 -4.776 -16.781 1.00 0.00 C ATOM 157 O ASP B -5 15.355 -5.618 -17.422 1.00 0.00 O ATOM 158 CB ASP B -5 12.620 -6.075 -16.401 1.00 0.00 C ATOM 159 CG ASP B -5 12.931 -6.407 -14.957 1.00 0.00 C ATOM 160 OD1 ASP B -5 13.882 -7.178 -14.706 1.00 0.00 O ATOM 161 OD2 ASP B -5 12.220 -5.900 -14.063 1.00 0.00 O1- ATOM 0 H ASP B -5 13.303 -4.812 -18.924 1.00 0.00 H new ATOM 0 HA ASP B -5 12.859 -3.962 -16.145 1.00 0.00 H new ATOM 0 HB2 ASP B -5 11.539 -6.057 -16.541 1.00 0.00 H new ATOM 0 HB3 ASP B -5 13.012 -6.863 -17.044 1.00 0.00 H new ATOM 166 N ASP B -4 15.306 -3.852 -16.033 1.00 0.00 N ATOM 167 CA ASP B -4 16.753 -3.763 -15.916 1.00 0.00 C ATOM 168 C ASP B -4 17.278 -4.779 -14.915 1.00 0.00 C ATOM 169 O ASP B -4 16.985 -4.704 -13.718 1.00 0.00 O ATOM 170 CB ASP B -4 17.176 -2.356 -15.499 1.00 0.00 C ATOM 171 CG ASP B -4 18.671 -2.250 -15.289 1.00 0.00 C ATOM 172 OD1 ASP B -4 19.419 -2.291 -16.286 1.00 0.00 O ATOM 173 OD2 ASP B -4 19.106 -2.122 -14.127 1.00 0.00 O1- ATOM 0 H ASP B -4 14.796 -3.151 -15.496 1.00 0.00 H new ATOM 0 HA ASP B -4 17.181 -3.983 -16.894 1.00 0.00 H new ATOM 0 HB2 ASP B -4 16.866 -1.643 -16.263 1.00 0.00 H new ATOM 0 HB3 ASP B -4 16.661 -2.081 -14.579 1.00 0.00 H new ATOM 178 N ASP B -3 18.049 -5.729 -15.416 1.00 0.00 N ATOM 179 CA ASP B -3 18.596 -6.800 -14.597 1.00 0.00 C ATOM 180 C ASP B -3 20.027 -7.102 -15.015 1.00 0.00 C ATOM 181 O ASP B -3 20.370 -6.987 -16.194 1.00 0.00 O ATOM 182 CB ASP B -3 17.741 -8.063 -14.739 1.00 0.00 C ATOM 183 CG ASP B -3 17.834 -8.684 -16.124 1.00 0.00 C ATOM 184 OD1 ASP B -3 17.368 -8.060 -17.102 1.00 0.00 O ATOM 185 OD2 ASP B -3 18.360 -9.809 -16.243 1.00 0.00 O1- ATOM 0 H ASP B -3 18.314 -5.781 -16.400 1.00 0.00 H new ATOM 0 HA ASP B -3 18.589 -6.479 -13.555 1.00 0.00 H new ATOM 0 HB2 ASP B -3 18.056 -8.795 -13.995 1.00 0.00 H new ATOM 0 HB3 ASP B -3 16.701 -7.818 -14.524 1.00 0.00 H new ATOM 190 N ASP B -2 20.864 -7.458 -14.050 1.00 0.00 N ATOM 191 CA ASP B -2 22.237 -7.866 -14.332 1.00 0.00 C ATOM 192 C ASP B -2 22.822 -8.578 -13.121 1.00 0.00 C ATOM 193 O ASP B -2 22.572 -8.187 -11.980 1.00 0.00 O ATOM 194 CB ASP B -2 23.106 -6.661 -14.702 1.00 0.00 C ATOM 195 CG ASP B -2 24.430 -7.074 -15.310 1.00 0.00 C ATOM 196 OD1 ASP B -2 25.443 -7.119 -14.586 1.00 0.00 O ATOM 197 OD2 ASP B -2 24.461 -7.372 -16.522 1.00 0.00 O1- ATOM 0 H ASP B -2 20.617 -7.473 -13.061 1.00 0.00 H new ATOM 0 HA ASP B -2 22.224 -8.547 -15.183 1.00 0.00 H new ATOM 0 HB2 ASP B -2 22.566 -6.029 -15.407 1.00 0.00 H new ATOM 0 HB3 ASP B -2 23.289 -6.060 -13.811 1.00 0.00 H new ATOM 202 N LYS B -1 23.586 -9.631 -13.368 1.00 0.00 N ATOM 203 CA LYS B -1 24.122 -10.452 -12.291 1.00 0.00 C ATOM 204 C LYS B -1 25.483 -9.949 -11.816 1.00 0.00 C ATOM 205 O LYS B -1 25.942 -10.317 -10.737 1.00 0.00 O ATOM 206 CB LYS B -1 24.236 -11.910 -12.742 1.00 0.00 C ATOM 207 CG LYS B -1 22.905 -12.535 -13.127 1.00 0.00 C ATOM 208 CD LYS B -1 23.055 -13.991 -13.555 1.00 0.00 C ATOM 209 CE LYS B -1 23.125 -14.948 -12.367 1.00 0.00 C ATOM 210 NZ LYS B -1 24.345 -14.759 -11.533 1.00 0.00 N1+ ATOM 0 H LYS B -1 23.849 -9.938 -14.304 1.00 0.00 H new ATOM 0 HA LYS B -1 23.429 -10.383 -11.453 1.00 0.00 H new ATOM 0 HB2 LYS B -1 24.914 -11.966 -13.594 1.00 0.00 H new ATOM 0 HB3 LYS B -1 24.684 -12.496 -11.939 1.00 0.00 H new ATOM 0 HG2 LYS B -1 22.219 -12.475 -12.282 1.00 0.00 H new ATOM 0 HG3 LYS B -1 22.459 -11.963 -13.940 1.00 0.00 H new ATOM 0 HD2 LYS B -1 22.214 -14.268 -14.191 1.00 0.00 H new ATOM 0 HD3 LYS B -1 23.958 -14.098 -14.157 1.00 0.00 H new ATOM 0 HE2 LYS B -1 22.242 -14.809 -11.744 1.00 0.00 H new ATOM 0 HE3 LYS B -1 23.098 -15.974 -12.733 1.00 0.00 H new ATOM 0 HZ1 LYS B -1 24.614 -15.666 -11.100 1.00 0.00 H new ATOM 0 HZ2 LYS B -1 25.124 -14.416 -12.130 1.00 0.00 H new ATOM 0 HZ3 LYS B -1 24.150 -14.063 -10.785 1.00 0.00 H new ATOM 224 N MET B 0 26.125 -9.107 -12.610 1.00 0.00 N ATOM 225 CA MET B 0 27.442 -8.603 -12.249 1.00 0.00 C ATOM 226 C MET B 0 27.325 -7.218 -11.627 1.00 0.00 C ATOM 227 O MET B 0 27.804 -6.980 -10.518 1.00 0.00 O ATOM 228 CB MET B 0 28.363 -8.560 -13.468 1.00 0.00 C ATOM 229 CG MET B 0 29.800 -8.209 -13.122 1.00 0.00 C ATOM 230 SD MET B 0 30.541 -9.390 -11.977 1.00 0.00 S ATOM 231 CE MET B 0 32.166 -8.673 -11.759 1.00 0.00 C ATOM 0 H MET B 0 25.762 -8.761 -13.498 1.00 0.00 H new ATOM 0 HA MET B 0 27.878 -9.283 -11.517 1.00 0.00 H new ATOM 0 HB2 MET B 0 28.343 -9.530 -13.965 1.00 0.00 H new ATOM 0 HB3 MET B 0 27.979 -7.829 -14.180 1.00 0.00 H new ATOM 0 HG2 MET B 0 30.392 -8.173 -14.036 1.00 0.00 H new ATOM 0 HG3 MET B 0 29.832 -7.212 -12.682 1.00 0.00 H new ATOM 0 HE1 MET B 0 32.747 -9.291 -11.075 1.00 0.00 H new ATOM 0 HE2 MET B 0 32.673 -8.622 -12.722 1.00 0.00 H new ATOM 0 HE3 MET B 0 32.068 -7.669 -11.347 1.00 0.00 H new ATOM 241 N GLU B 1 26.675 -6.313 -12.339 1.00 0.00 N ATOM 242 CA GLU B 1 26.463 -4.965 -11.845 1.00 0.00 C ATOM 243 C GLU B 1 24.980 -4.726 -11.615 1.00 0.00 C ATOM 244 O GLU B 1 24.203 -4.605 -12.563 1.00 0.00 O ATOM 245 CB GLU B 1 27.014 -3.927 -12.825 1.00 0.00 C ATOM 246 CG GLU B 1 26.915 -2.502 -12.307 1.00 0.00 C ATOM 247 CD GLU B 1 27.413 -1.481 -13.304 1.00 0.00 C ATOM 248 OE1 GLU B 1 28.637 -1.255 -13.367 1.00 0.00 O ATOM 249 OE2 GLU B 1 26.583 -0.889 -14.020 1.00 0.00 O1- ATOM 0 H GLU B 1 26.284 -6.489 -13.264 1.00 0.00 H new ATOM 0 HA GLU B 1 26.998 -4.859 -10.901 1.00 0.00 H new ATOM 0 HB2 GLU B 1 28.058 -4.157 -13.039 1.00 0.00 H new ATOM 0 HB3 GLU B 1 26.471 -4.003 -13.767 1.00 0.00 H new ATOM 0 HG2 GLU B 1 25.877 -2.282 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU B 1 27.491 -2.414 -11.386 1.00 0.00 H new ATOM 256 N ASP B 2 24.594 -4.672 -10.356 1.00 0.00 N ATOM 257 CA ASP B 2 23.203 -4.462 -9.992 1.00 0.00 C ATOM 258 C ASP B 2 23.031 -3.098 -9.350 1.00 0.00 C ATOM 259 O ASP B 2 23.980 -2.527 -8.813 1.00 0.00 O ATOM 260 CB ASP B 2 22.719 -5.553 -9.032 1.00 0.00 C ATOM 261 CG ASP B 2 23.483 -5.567 -7.722 1.00 0.00 C ATOM 262 OD1 ASP B 2 23.072 -4.862 -6.777 1.00 0.00 O ATOM 263 OD2 ASP B 2 24.497 -6.290 -7.628 1.00 0.00 O1- ATOM 0 H ASP B 2 25.227 -4.771 -9.562 1.00 0.00 H new ATOM 0 HA ASP B 2 22.603 -4.510 -10.901 1.00 0.00 H new ATOM 0 HB2 ASP B 2 21.659 -5.405 -8.827 1.00 0.00 H new ATOM 0 HB3 ASP B 2 22.818 -6.525 -9.515 1.00 0.00 H new ATOM 268 N THR B 3 21.819 -2.579 -9.410 1.00 0.00 N ATOM 269 CA THR B 3 21.506 -1.290 -8.822 1.00 0.00 C ATOM 270 C THR B 3 20.943 -1.458 -7.417 1.00 0.00 C ATOM 271 O THR B 3 20.026 -0.734 -7.011 1.00 0.00 O ATOM 272 CB THR B 3 20.497 -0.529 -9.696 1.00 0.00 C ATOM 273 OG1 THR B 3 19.409 -1.396 -10.046 1.00 0.00 O ATOM 274 CG2 THR B 3 21.163 -0.008 -10.959 1.00 0.00 C ATOM 0 H THR B 3 21.028 -3.036 -9.865 1.00 0.00 H new ATOM 0 HA THR B 3 22.431 -0.716 -8.763 1.00 0.00 H new ATOM 0 HB THR B 3 20.119 0.321 -9.128 1.00 0.00 H new ATOM 0 HG1 THR B 3 18.767 -0.907 -10.602 1.00 0.00 H new ATOM 0 HG21 THR B 3 20.430 0.527 -11.563 1.00 0.00 H new ATOM 0 HG22 THR B 3 21.975 0.668 -10.690 1.00 0.00 H new ATOM 0 HG23 THR B 3 21.563 -0.845 -11.531 1.00 0.00 H new ATOM 282 N ALA B 4 21.495 -2.434 -6.689 1.00 0.00 N ATOM 283 CA ALA B 4 21.082 -2.740 -5.323 1.00 0.00 C ATOM 284 C ALA B 4 19.669 -3.313 -5.288 1.00 0.00 C ATOM 285 O ALA B 4 18.973 -3.363 -6.306 1.00 0.00 O ATOM 286 CB ALA B 4 21.185 -1.507 -4.433 1.00 0.00 C ATOM 0 H ALA B 4 22.243 -3.034 -7.035 1.00 0.00 H new ATOM 0 HA ALA B 4 21.762 -3.499 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA B 4 20.872 -1.762 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA B 4 22.217 -1.156 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA B 4 20.540 -0.720 -4.825 1.00 0.00 H new ATOM 292 N ASN B 5 19.259 -3.772 -4.118 1.00 0.00 N ATOM 293 CA ASN B 5 17.907 -4.266 -3.925 1.00 0.00 C ATOM 294 C ASN B 5 17.225 -3.421 -2.860 1.00 0.00 C ATOM 295 O ASN B 5 17.816 -3.128 -1.820 1.00 0.00 O ATOM 296 CB ASN B 5 17.910 -5.757 -3.534 1.00 0.00 C ATOM 297 CG ASN B 5 18.263 -6.006 -2.076 1.00 0.00 C ATOM 298 OD1 ASN B 5 19.437 -6.058 -1.705 1.00 0.00 O ATOM 299 ND2 ASN B 5 17.247 -6.192 -1.243 1.00 0.00 N ATOM 0 H ASN B 5 19.846 -3.813 -3.285 1.00 0.00 H new ATOM 0 HA ASN B 5 17.355 -4.184 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN B 5 16.926 -6.179 -3.737 1.00 0.00 H new ATOM 0 HB3 ASN B 5 18.621 -6.288 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN B 5 17.424 -6.386 -0.257 1.00 0.00 H new ATOM 0 HD22 ASN B 5 16.289 -6.141 -1.588 1.00 0.00 H new ATOM 306 N PRO B 6 15.990 -2.981 -3.117 1.00 0.00 N ATOM 307 CA PRO B 6 15.259 -2.121 -2.189 1.00 0.00 C ATOM 308 C PRO B 6 14.889 -2.847 -0.900 1.00 0.00 C ATOM 309 O PRO B 6 14.030 -3.732 -0.897 1.00 0.00 O ATOM 310 CB PRO B 6 14.003 -1.726 -2.975 1.00 0.00 C ATOM 311 CG PRO B 6 13.827 -2.801 -3.991 1.00 0.00 C ATOM 312 CD PRO B 6 15.210 -3.281 -4.332 1.00 0.00 C ATOM 0 HA PRO B 6 15.854 -1.266 -1.869 1.00 0.00 H new ATOM 0 HB2 PRO B 6 13.134 -1.656 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO B 6 14.124 -0.752 -3.449 1.00 0.00 H new ATOM 0 HG2 PRO B 6 13.218 -3.614 -3.596 1.00 0.00 H new ATOM 0 HG3 PRO B 6 13.317 -2.421 -4.876 1.00 0.00 H new ATOM 0 HD2 PRO B 6 15.219 -4.346 -4.562 1.00 0.00 H new ATOM 0 HD3 PRO B 6 15.611 -2.763 -5.204 1.00 0.00 H new ATOM 320 N ASN B 7 15.556 -2.483 0.194 1.00 0.00 N ATOM 321 CA ASN B 7 15.241 -3.046 1.505 1.00 0.00 C ATOM 322 C ASN B 7 13.833 -2.634 1.903 1.00 0.00 C ATOM 323 O ASN B 7 13.111 -3.376 2.571 1.00 0.00 O ATOM 324 CB ASN B 7 16.253 -2.584 2.565 1.00 0.00 C ATOM 325 CG ASN B 7 16.174 -1.095 2.857 1.00 0.00 C ATOM 326 OD1 ASN B 7 16.796 -0.282 2.172 1.00 0.00 O ATOM 327 ND2 ASN B 7 15.426 -0.729 3.886 1.00 0.00 N ATOM 0 H ASN B 7 16.316 -1.803 0.198 1.00 0.00 H new ATOM 0 HA ASN B 7 15.300 -4.133 1.443 1.00 0.00 H new ATOM 0 HB2 ASN B 7 16.082 -3.138 3.488 1.00 0.00 H new ATOM 0 HB3 ASN B 7 17.260 -2.829 2.228 1.00 0.00 H new ATOM 0 HD21 ASN B 7 15.350 0.257 4.136 1.00 0.00 H new ATOM 0 HD22 ASN B 7 14.926 -1.433 4.429 1.00 0.00 H new ATOM 334 N GLU B 8 13.451 -1.443 1.471 1.00 0.00 N ATOM 335 CA GLU B 8 12.104 -0.945 1.654 1.00 0.00 C ATOM 336 C GLU B 8 11.707 -0.176 0.401 1.00 0.00 C ATOM 337 O GLU B 8 12.550 0.101 -0.457 1.00 0.00 O ATOM 338 CB GLU B 8 12.026 -0.055 2.898 1.00 0.00 C ATOM 339 CG GLU B 8 12.484 1.369 2.665 1.00 0.00 C ATOM 340 CD GLU B 8 13.018 2.024 3.923 1.00 0.00 C ATOM 341 OE1 GLU B 8 14.247 1.958 4.149 1.00 0.00 O ATOM 342 OE2 GLU B 8 12.220 2.600 4.693 1.00 0.00 O1- ATOM 0 H GLU B 8 14.070 -0.796 0.983 1.00 0.00 H new ATOM 0 HA GLU B 8 11.413 -1.774 1.807 1.00 0.00 H new ATOM 0 HB2 GLU B 8 10.997 -0.041 3.258 1.00 0.00 H new ATOM 0 HB3 GLU B 8 12.634 -0.497 3.687 1.00 0.00 H new ATOM 0 HG2 GLU B 8 13.259 1.376 1.899 1.00 0.00 H new ATOM 0 HG3 GLU B 8 11.650 1.956 2.280 1.00 0.00 H new ATOM 349 N MET B 9 10.443 0.165 0.296 1.00 0.00 N ATOM 350 CA MET B 9 9.926 0.819 -0.895 1.00 0.00 C ATOM 351 C MET B 9 9.662 2.288 -0.621 1.00 0.00 C ATOM 352 O MET B 9 9.406 2.671 0.513 1.00 0.00 O ATOM 353 CB MET B 9 8.651 0.116 -1.357 1.00 0.00 C ATOM 354 CG MET B 9 7.731 -0.284 -0.219 1.00 0.00 C ATOM 355 SD MET B 9 6.390 -1.368 -0.758 1.00 0.00 S ATOM 356 CE MET B 9 7.307 -2.793 -1.337 1.00 0.00 C ATOM 0 H MET B 9 9.747 0.001 1.023 1.00 0.00 H new ATOM 0 HA MET B 9 10.670 0.753 -1.689 1.00 0.00 H new ATOM 0 HB2 MET B 9 8.109 0.774 -2.037 1.00 0.00 H new ATOM 0 HB3 MET B 9 8.922 -0.775 -1.924 1.00 0.00 H new ATOM 0 HG2 MET B 9 8.312 -0.788 0.553 1.00 0.00 H new ATOM 0 HG3 MET B 9 7.308 0.613 0.234 1.00 0.00 H new ATOM 0 HE1 MET B 9 6.659 -3.670 -1.331 1.00 0.00 H new ATOM 0 HE2 MET B 9 7.661 -2.610 -2.352 1.00 0.00 H new ATOM 0 HE3 MET B 9 8.160 -2.968 -0.681 1.00 0.00 H new ATOM 366 N THR B 10 9.747 3.109 -1.657 1.00 0.00 N ATOM 367 CA THR B 10 9.513 4.537 -1.512 1.00 0.00 C ATOM 368 C THR B 10 8.028 4.817 -1.344 1.00 0.00 C ATOM 369 O THR B 10 7.210 3.922 -1.560 1.00 0.00 O ATOM 370 CB THR B 10 10.042 5.316 -2.730 1.00 0.00 C ATOM 371 OG1 THR B 10 9.486 4.770 -3.934 1.00 0.00 O ATOM 372 CG2 THR B 10 11.559 5.253 -2.788 1.00 0.00 C ATOM 0 H THR B 10 9.976 2.811 -2.605 1.00 0.00 H new ATOM 0 HA THR B 10 10.050 4.869 -0.624 1.00 0.00 H new ATOM 0 HB THR B 10 9.742 6.359 -2.633 1.00 0.00 H new ATOM 0 HG1 THR B 10 9.824 5.270 -4.706 1.00 0.00 H new ATOM 0 HG21 THR B 10 11.913 5.809 -3.656 1.00 0.00 H new ATOM 0 HG22 THR B 10 11.976 5.691 -1.881 1.00 0.00 H new ATOM 0 HG23 THR B 10 11.877 4.214 -2.869 1.00 0.00 H new ATOM 380 N LYS B 11 7.669 6.038 -0.969 1.00 0.00 N ATOM 381 CA LYS B 11 6.263 6.385 -0.800 1.00 0.00 C ATOM 382 C LYS B 11 5.486 6.119 -2.089 1.00 0.00 C ATOM 383 O LYS B 11 4.334 5.690 -2.055 1.00 0.00 O ATOM 384 CB LYS B 11 6.104 7.845 -0.352 1.00 0.00 C ATOM 385 CG LYS B 11 6.604 8.879 -1.354 1.00 0.00 C ATOM 386 CD LYS B 11 6.575 10.291 -0.774 1.00 0.00 C ATOM 387 CE LYS B 11 5.200 10.654 -0.229 1.00 0.00 C ATOM 388 NZ LYS B 11 5.143 12.057 0.258 1.00 0.00 N1+ ATOM 0 H LYS B 11 8.323 6.797 -0.778 1.00 0.00 H new ATOM 0 HA LYS B 11 5.849 5.752 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.050 8.036 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.639 7.982 0.588 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.622 8.631 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS B 11 5.988 8.842 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.314 10.371 0.023 1.00 0.00 H new ATOM 0 HD3 LYS B 11 6.860 11.006 -1.546 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.452 10.511 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.944 9.977 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.150 12.359 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 5.594 12.119 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 5.644 12.677 -0.410 1.00 0.00 H new ATOM 402 N ASP B 12 6.143 6.325 -3.224 1.00 0.00 N ATOM 403 CA ASP B 12 5.511 6.120 -4.520 1.00 0.00 C ATOM 404 C ASP B 12 5.468 4.640 -4.879 1.00 0.00 C ATOM 405 O ASP B 12 4.428 4.124 -5.287 1.00 0.00 O ATOM 406 CB ASP B 12 6.259 6.894 -5.604 1.00 0.00 C ATOM 407 CG ASP B 12 5.670 6.679 -6.988 1.00 0.00 C ATOM 408 OD1 ASP B 12 6.314 6.001 -7.812 1.00 0.00 O ATOM 409 OD2 ASP B 12 4.557 7.185 -7.260 1.00 0.00 O1- ATOM 0 H ASP B 12 7.114 6.634 -3.272 1.00 0.00 H new ATOM 0 HA ASP B 12 4.488 6.490 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.238 7.957 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.305 6.588 -5.607 1.00 0.00 H new ATOM 414 N ALA B 13 6.598 3.962 -4.710 1.00 0.00 N ATOM 415 CA ALA B 13 6.701 2.547 -5.047 1.00 0.00 C ATOM 416 C ALA B 13 5.782 1.705 -4.173 1.00 0.00 C ATOM 417 O ALA B 13 5.192 0.727 -4.640 1.00 0.00 O ATOM 418 CB ALA B 13 8.135 2.073 -4.908 1.00 0.00 C ATOM 0 H ALA B 13 7.457 4.370 -4.341 1.00 0.00 H new ATOM 0 HA ALA B 13 6.388 2.426 -6.084 1.00 0.00 H new ATOM 0 HB1 ALA B 13 8.195 1.015 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA B 13 8.774 2.645 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA B 13 8.468 2.218 -3.880 1.00 0.00 H new ATOM 424 N TRP B 14 5.662 2.088 -2.910 1.00 0.00 N ATOM 425 CA TRP B 14 4.766 1.403 -1.993 1.00 0.00 C ATOM 426 C TRP B 14 3.337 1.503 -2.496 1.00 0.00 C ATOM 427 O TRP B 14 2.665 0.492 -2.677 1.00 0.00 O ATOM 428 CB TRP B 14 4.874 1.992 -0.586 1.00 0.00 C ATOM 429 CG TRP B 14 3.970 1.329 0.410 1.00 0.00 C ATOM 430 CD1 TRP B 14 4.159 0.115 1.001 1.00 0.00 C ATOM 431 CD2 TRP B 14 2.739 1.843 0.934 1.00 0.00 C ATOM 432 NE1 TRP B 14 3.126 -0.160 1.860 1.00 0.00 N ATOM 433 CE2 TRP B 14 2.242 0.885 1.840 1.00 0.00 C ATOM 434 CE3 TRP B 14 2.008 3.016 0.730 1.00 0.00 C ATOM 435 CZ2 TRP B 14 1.054 1.067 2.539 1.00 0.00 C ATOM 436 CZ3 TRP B 14 0.828 3.193 1.424 1.00 0.00 C ATOM 437 CH2 TRP B 14 0.363 2.224 2.320 1.00 0.00 C ATOM 0 H TRP B 14 6.174 2.869 -2.498 1.00 0.00 H new ATOM 0 HA TRP B 14 5.055 0.353 -1.945 1.00 0.00 H new ATOM 0 HB2 TRP B 14 5.905 1.906 -0.243 1.00 0.00 H new ATOM 0 HB3 TRP B 14 4.639 3.056 -0.627 1.00 0.00 H new ATOM 0 HD1 TRP B 14 5.001 -0.536 0.819 1.00 0.00 H new ATOM 0 HE1 TRP B 14 3.032 -1.006 2.422 1.00 0.00 H new ATOM 0 HE3 TRP B 14 2.360 3.770 0.042 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 0.691 0.320 3.230 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 0.254 4.095 1.273 1.00 0.00 H new ATOM 0 HH2 TRP B 14 -0.562 2.395 2.850 1.00 0.00 H new ATOM 448 N LEU B 15 2.892 2.728 -2.749 1.00 0.00 N ATOM 449 CA LEU B 15 1.553 2.967 -3.268 1.00 0.00 C ATOM 450 C LEU B 15 1.331 2.196 -4.559 1.00 0.00 C ATOM 451 O LEU B 15 0.273 1.610 -4.765 1.00 0.00 O ATOM 452 CB LEU B 15 1.343 4.457 -3.533 1.00 0.00 C ATOM 453 CG LEU B 15 1.342 5.350 -2.298 1.00 0.00 C ATOM 454 CD1 LEU B 15 1.367 6.810 -2.709 1.00 0.00 C ATOM 455 CD2 LEU B 15 0.128 5.063 -1.429 1.00 0.00 C ATOM 0 H LEU B 15 3.443 3.574 -2.602 1.00 0.00 H new ATOM 0 HA LEU B 15 0.838 2.626 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.126 4.802 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.394 4.585 -4.053 1.00 0.00 H new ATOM 0 HG LEU B 15 2.237 5.135 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.366 7.439 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.266 7.008 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.487 7.033 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.146 5.711 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.781 5.251 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.147 4.021 -1.110 1.00 0.00 H new ATOM 467 N ASN B 16 2.350 2.187 -5.412 1.00 0.00 N ATOM 468 CA ASN B 16 2.270 1.533 -6.715 1.00 0.00 C ATOM 469 C ASN B 16 1.907 0.057 -6.570 1.00 0.00 C ATOM 470 O ASN B 16 1.102 -0.473 -7.337 1.00 0.00 O ATOM 471 CB ASN B 16 3.607 1.671 -7.451 1.00 0.00 C ATOM 472 CG ASN B 16 3.552 1.131 -8.868 1.00 0.00 C ATOM 473 OD1 ASN B 16 3.777 -0.057 -9.106 1.00 0.00 O ATOM 474 ND2 ASN B 16 3.269 2.007 -9.819 1.00 0.00 N ATOM 0 H ASN B 16 3.249 2.629 -5.222 1.00 0.00 H new ATOM 0 HA ASN B 16 1.485 2.021 -7.292 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.896 2.722 -7.478 1.00 0.00 H new ATOM 0 HB3 ASN B 16 4.380 1.142 -6.894 1.00 0.00 H new ATOM 0 HD21 ASN B 16 3.231 1.707 -10.793 1.00 0.00 H new ATOM 0 HD22 ASN B 16 3.089 2.982 -9.578 1.00 0.00 H new ATOM 481 N SER B 17 2.483 -0.590 -5.569 1.00 0.00 N ATOM 482 CA SER B 17 2.269 -2.013 -5.354 1.00 0.00 C ATOM 483 C SER B 17 1.071 -2.255 -4.435 1.00 0.00 C ATOM 484 O SER B 17 0.370 -3.258 -4.566 1.00 0.00 O ATOM 485 CB SER B 17 3.531 -2.643 -4.751 1.00 0.00 C ATOM 486 OG SER B 17 3.446 -4.059 -4.724 1.00 0.00 O ATOM 0 H SER B 17 3.105 -0.151 -4.890 1.00 0.00 H new ATOM 0 HA SER B 17 2.057 -2.478 -6.317 1.00 0.00 H new ATOM 0 HB2 SER B 17 4.402 -2.341 -5.332 1.00 0.00 H new ATOM 0 HB3 SER B 17 3.678 -2.267 -3.738 1.00 0.00 H new ATOM 0 HG SER B 17 4.266 -4.429 -4.336 1.00 0.00 H new ATOM 492 N MET B 18 0.823 -1.312 -3.538 1.00 0.00 N ATOM 493 CA MET B 18 -0.160 -1.493 -2.474 1.00 0.00 C ATOM 494 C MET B 18 -1.578 -1.208 -2.955 1.00 0.00 C ATOM 495 O MET B 18 -2.521 -1.886 -2.551 1.00 0.00 O ATOM 496 CB MET B 18 0.177 -0.571 -1.303 1.00 0.00 C ATOM 497 CG MET B 18 -0.713 -0.760 -0.087 1.00 0.00 C ATOM 498 SD MET B 18 -0.426 -2.333 0.749 1.00 0.00 S ATOM 499 CE MET B 18 -1.593 -2.214 2.104 1.00 0.00 C ATOM 0 H MET B 18 1.292 -0.406 -3.524 1.00 0.00 H new ATOM 0 HA MET B 18 -0.119 -2.535 -2.157 1.00 0.00 H new ATOM 0 HB2 MET B 18 1.214 -0.738 -1.010 1.00 0.00 H new ATOM 0 HB3 MET B 18 0.103 0.464 -1.637 1.00 0.00 H new ATOM 0 HG2 MET B 18 -0.541 0.056 0.615 1.00 0.00 H new ATOM 0 HG3 MET B 18 -1.757 -0.702 -0.394 1.00 0.00 H new ATOM 0 HE1 MET B 18 -1.286 -2.882 2.908 1.00 0.00 H new ATOM 0 HE2 MET B 18 -1.618 -1.189 2.474 1.00 0.00 H new ATOM 0 HE3 MET B 18 -2.586 -2.498 1.755 1.00 0.00 H new ATOM 509 N THR B 19 -1.722 -0.213 -3.823 1.00 0.00 N ATOM 510 CA THR B 19 -3.040 0.232 -4.275 1.00 0.00 C ATOM 511 C THR B 19 -3.919 -0.900 -4.824 1.00 0.00 C ATOM 512 O THR B 19 -5.067 -1.030 -4.409 1.00 0.00 O ATOM 513 CB THR B 19 -2.941 1.361 -5.323 1.00 0.00 C ATOM 514 OG1 THR B 19 -1.827 1.146 -6.199 1.00 0.00 O ATOM 515 CG2 THR B 19 -2.806 2.714 -4.646 1.00 0.00 C ATOM 0 H THR B 19 -0.942 0.303 -4.230 1.00 0.00 H new ATOM 0 HA THR B 19 -3.524 0.615 -3.377 1.00 0.00 H new ATOM 0 HB THR B 19 -3.859 1.350 -5.911 1.00 0.00 H new ATOM 0 HG1 THR B 19 -1.048 1.639 -5.865 1.00 0.00 H new ATOM 0 HG21 THR B 19 -2.738 3.495 -5.404 1.00 0.00 H new ATOM 0 HG22 THR B 19 -3.677 2.894 -4.016 1.00 0.00 H new ATOM 0 HG23 THR B 19 -1.906 2.725 -4.031 1.00 0.00 H new ATOM 523 N PRO B 20 -3.418 -1.746 -5.748 1.00 0.00 N ATOM 524 CA PRO B 20 -4.239 -2.791 -6.357 1.00 0.00 C ATOM 525 C PRO B 20 -4.387 -4.020 -5.463 1.00 0.00 C ATOM 526 O PRO B 20 -5.148 -4.938 -5.773 1.00 0.00 O ATOM 527 CB PRO B 20 -3.470 -3.109 -7.629 1.00 0.00 C ATOM 528 CG PRO B 20 -2.046 -2.908 -7.253 1.00 0.00 C ATOM 529 CD PRO B 20 -2.038 -1.763 -6.280 1.00 0.00 C ATOM 0 HA PRO B 20 -5.267 -2.474 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -3.654 -4.131 -7.961 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -3.763 -2.451 -8.447 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -1.630 -3.808 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -1.438 -2.681 -8.129 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -1.305 -1.916 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -1.786 -0.823 -6.770 1.00 0.00 H new ATOM 537 N LEU B 21 -3.667 -4.028 -4.349 1.00 0.00 N ATOM 538 CA LEU B 21 -3.794 -5.093 -3.364 1.00 0.00 C ATOM 539 C LEU B 21 -4.937 -4.776 -2.413 1.00 0.00 C ATOM 540 O LEU B 21 -5.483 -5.663 -1.755 1.00 0.00 O ATOM 541 CB LEU B 21 -2.497 -5.260 -2.570 1.00 0.00 C ATOM 542 CG LEU B 21 -1.273 -5.676 -3.386 1.00 0.00 C ATOM 543 CD1 LEU B 21 -0.049 -5.775 -2.491 1.00 0.00 C ATOM 544 CD2 LEU B 21 -1.526 -7.000 -4.088 1.00 0.00 C ATOM 0 H LEU B 21 -2.988 -3.307 -4.105 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.000 -6.026 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -2.275 -4.318 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -2.662 -6.004 -1.791 1.00 0.00 H new ATOM 0 HG LEU B 21 -1.088 -4.915 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU B 21 0.814 -6.072 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU B 21 0.144 -4.806 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -0.226 -6.518 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -0.644 -7.281 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -1.735 -7.771 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -2.380 -6.899 -4.758 1.00 0.00 H new ATOM 556 N LEU B 22 -5.300 -3.502 -2.363 1.00 0.00 N ATOM 557 CA LEU B 22 -6.342 -3.036 -1.464 1.00 0.00 C ATOM 558 C LEU B 22 -7.713 -3.611 -1.837 1.00 0.00 C ATOM 559 O LEU B 22 -8.384 -4.161 -0.972 1.00 0.00 O ATOM 560 CB LEU B 22 -6.376 -1.502 -1.424 1.00 0.00 C ATOM 561 CG LEU B 22 -5.090 -0.840 -0.920 1.00 0.00 C ATOM 562 CD1 LEU B 22 -5.159 0.668 -1.084 1.00 0.00 C ATOM 563 CD2 LEU B 22 -4.838 -1.201 0.538 1.00 0.00 C ATOM 0 H LEU B 22 -4.884 -2.770 -2.939 1.00 0.00 H new ATOM 0 HA LEU B 22 -6.103 -3.399 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.589 -1.132 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.203 -1.188 -0.786 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.260 -1.214 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.235 1.116 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.290 0.914 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -6.001 1.058 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.920 -0.721 0.878 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.674 -0.858 1.148 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.739 -2.282 0.633 1.00 0.00 H new ATOM 575 N PRO B 23 -8.150 -3.520 -3.118 1.00 0.00 N ATOM 576 CA PRO B 23 -9.458 -4.037 -3.549 1.00 0.00 C ATOM 577 C PRO B 23 -9.739 -5.453 -3.063 1.00 0.00 C ATOM 578 O PRO B 23 -10.865 -5.771 -2.670 1.00 0.00 O ATOM 579 CB PRO B 23 -9.348 -4.010 -5.071 1.00 0.00 C ATOM 580 CG PRO B 23 -8.453 -2.864 -5.340 1.00 0.00 C ATOM 581 CD PRO B 23 -7.428 -2.904 -4.251 1.00 0.00 C ATOM 0 HA PRO B 23 -10.278 -3.445 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -8.934 -4.941 -5.459 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -10.323 -3.875 -5.540 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -7.988 -2.949 -6.322 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -9.003 -1.923 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.558 -3.494 -4.540 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -7.068 -1.906 -4.002 1.00 0.00 H new ATOM 589 N ASP B 24 -8.711 -6.289 -3.080 1.00 0.00 N ATOM 590 CA ASP B 24 -8.833 -7.668 -2.637 1.00 0.00 C ATOM 591 C ASP B 24 -9.198 -7.719 -1.159 1.00 0.00 C ATOM 592 O ASP B 24 -10.189 -8.335 -0.771 1.00 0.00 O ATOM 593 CB ASP B 24 -7.521 -8.418 -2.881 1.00 0.00 C ATOM 594 CG ASP B 24 -7.578 -9.870 -2.441 1.00 0.00 C ATOM 595 OD1 ASP B 24 -7.239 -10.163 -1.276 1.00 0.00 O ATOM 596 OD2 ASP B 24 -7.953 -10.731 -3.267 1.00 0.00 O1- ATOM 0 H ASP B 24 -7.777 -6.032 -3.399 1.00 0.00 H new ATOM 0 HA ASP B 24 -9.626 -8.149 -3.209 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -7.276 -8.375 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.716 -7.914 -2.347 1.00 0.00 H new ATOM 601 N LEU B 25 -8.410 -7.028 -0.346 1.00 0.00 N ATOM 602 CA LEU B 25 -8.595 -7.025 1.096 1.00 0.00 C ATOM 603 C LEU B 25 -9.876 -6.294 1.486 1.00 0.00 C ATOM 604 O LEU B 25 -10.632 -6.757 2.345 1.00 0.00 O ATOM 605 CB LEU B 25 -7.395 -6.355 1.765 1.00 0.00 C ATOM 606 CG LEU B 25 -7.411 -6.352 3.294 1.00 0.00 C ATOM 607 CD1 LEU B 25 -7.322 -7.772 3.832 1.00 0.00 C ATOM 608 CD2 LEU B 25 -6.273 -5.499 3.831 1.00 0.00 C ATOM 0 H LEU B 25 -7.628 -6.457 -0.667 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.677 -8.058 1.433 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -6.487 -6.856 1.429 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.336 -5.324 1.418 1.00 0.00 H new ATOM 0 HG LEU B 25 -8.353 -5.921 3.632 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -7.335 -7.750 4.922 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -8.171 -8.352 3.471 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -6.396 -8.234 3.489 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -6.296 -5.506 4.921 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.321 -5.903 3.486 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -6.384 -4.476 3.472 1.00 0.00 H new ATOM 620 N ILE B 26 -10.115 -5.159 0.839 1.00 0.00 N ATOM 621 CA ILE B 26 -11.247 -4.303 1.168 1.00 0.00 C ATOM 622 C ILE B 26 -12.574 -5.025 0.962 1.00 0.00 C ATOM 623 O ILE B 26 -13.411 -5.053 1.863 1.00 0.00 O ATOM 624 CB ILE B 26 -11.239 -3.000 0.335 1.00 0.00 C ATOM 625 CG1 ILE B 26 -9.951 -2.212 0.579 1.00 0.00 C ATOM 626 CG2 ILE B 26 -12.452 -2.144 0.666 1.00 0.00 C ATOM 627 CD1 ILE B 26 -9.746 -1.796 2.019 1.00 0.00 C ATOM 0 H ILE B 26 -9.534 -4.809 0.077 1.00 0.00 H new ATOM 0 HA ILE B 26 -11.144 -4.047 2.222 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.284 -3.271 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -9.102 -2.817 0.262 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -9.959 -1.321 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.428 -1.232 0.069 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.362 -2.700 0.441 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.437 -1.885 1.725 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -8.811 -1.242 2.108 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -10.575 -1.163 2.336 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -9.704 -2.683 2.651 1.00 0.00 H new ATOM 639 N CYS B 27 -12.760 -5.624 -0.211 1.00 0.00 N ATOM 640 CA CYS B 27 -14.018 -6.292 -0.516 1.00 0.00 C ATOM 641 C CYS B 27 -14.238 -7.464 0.424 1.00 0.00 C ATOM 642 O CYS B 27 -15.344 -7.677 0.915 1.00 0.00 O ATOM 643 CB CYS B 27 -14.065 -6.782 -1.960 1.00 0.00 C ATOM 644 SG CYS B 27 -15.721 -7.343 -2.478 1.00 0.00 S ATOM 0 H CYS B 27 -12.064 -5.660 -0.956 1.00 0.00 H new ATOM 0 HA CYS B 27 -14.813 -5.559 -0.380 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -13.738 -5.978 -2.620 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -13.357 -7.602 -2.081 1.00 0.00 H new ATOM 0 HG CYS B 27 -16.340 -6.371 -3.079 1.00 0.00 H new ATOM 649 N LYS B 28 -13.169 -8.209 0.695 1.00 0.00 N ATOM 650 CA LYS B 28 -13.244 -9.336 1.609 1.00 0.00 C ATOM 651 C LYS B 28 -13.673 -8.871 2.998 1.00 0.00 C ATOM 652 O LYS B 28 -14.368 -9.586 3.712 1.00 0.00 O ATOM 653 CB LYS B 28 -11.899 -10.055 1.698 1.00 0.00 C ATOM 654 CG LYS B 28 -11.529 -10.819 0.441 1.00 0.00 C ATOM 655 CD LYS B 28 -10.127 -11.390 0.544 1.00 0.00 C ATOM 656 CE LYS B 28 -9.759 -12.198 -0.687 1.00 0.00 C ATOM 657 NZ LYS B 28 -8.323 -12.575 -0.684 1.00 0.00 N1+ ATOM 0 H LYS B 28 -12.245 -8.050 0.294 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.988 -10.032 1.221 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.120 -9.323 1.910 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.923 -10.748 2.539 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.243 -11.626 0.278 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.593 -10.158 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.412 -10.578 0.674 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.055 -12.022 1.429 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.372 -13.098 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.982 -11.619 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.143 -13.263 -1.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.741 -11.727 -0.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.078 -13.000 0.233 1.00 0.00 H new ATOM 671 N GLY B 29 -13.269 -7.657 3.360 1.00 0.00 N ATOM 672 CA GLY B 29 -13.612 -7.104 4.658 1.00 0.00 C ATOM 673 C GLY B 29 -15.101 -6.870 4.816 1.00 0.00 C ATOM 674 O GLY B 29 -15.628 -6.910 5.926 1.00 0.00 O ATOM 0 H GLY B 29 -12.706 -7.042 2.772 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -13.269 -7.782 5.440 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -13.083 -6.162 4.799 1.00 0.00 H new ATOM 678 N PHE B 30 -15.784 -6.637 3.703 1.00 0.00 N ATOM 679 CA PHE B 30 -17.228 -6.440 3.724 1.00 0.00 C ATOM 680 C PHE B 30 -17.947 -7.782 3.744 1.00 0.00 C ATOM 681 O PHE B 30 -19.148 -7.852 3.975 1.00 0.00 O ATOM 682 CB PHE B 30 -17.686 -5.623 2.512 1.00 0.00 C ATOM 683 CG PHE B 30 -17.141 -4.224 2.483 1.00 0.00 C ATOM 684 CD1 PHE B 30 -16.342 -3.797 1.436 1.00 0.00 C ATOM 685 CD2 PHE B 30 -17.427 -3.335 3.505 1.00 0.00 C ATOM 686 CE1 PHE B 30 -15.840 -2.510 1.412 1.00 0.00 C ATOM 687 CE2 PHE B 30 -16.928 -2.048 3.485 1.00 0.00 C ATOM 688 CZ PHE B 30 -16.134 -1.635 2.437 1.00 0.00 C ATOM 0 H PHE B 30 -15.363 -6.580 2.776 1.00 0.00 H new ATOM 0 HA PHE B 30 -17.479 -5.888 4.630 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -17.383 -6.140 1.602 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -18.775 -5.579 2.506 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -16.109 -4.477 0.630 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -18.049 -3.653 4.329 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -15.217 -2.189 0.590 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -17.160 -1.366 4.290 1.00 0.00 H new ATOM 0 HZ PHE B 30 -15.743 -0.628 2.418 1.00 0.00 H new ATOM 698 N ILE B 31 -17.199 -8.844 3.496 1.00 0.00 N ATOM 699 CA ILE B 31 -17.756 -10.185 3.477 1.00 0.00 C ATOM 700 C ILE B 31 -17.485 -10.898 4.799 1.00 0.00 C ATOM 701 O ILE B 31 -18.363 -11.548 5.366 1.00 0.00 O ATOM 702 CB ILE B 31 -17.153 -11.009 2.321 1.00 0.00 C ATOM 703 CG1 ILE B 31 -17.331 -10.264 0.997 1.00 0.00 C ATOM 704 CG2 ILE B 31 -17.799 -12.384 2.254 1.00 0.00 C ATOM 705 CD1 ILE B 31 -16.670 -10.944 -0.182 1.00 0.00 C ATOM 0 H ILE B 31 -16.198 -8.802 3.304 1.00 0.00 H new ATOM 0 HA ILE B 31 -18.832 -10.097 3.330 1.00 0.00 H new ATOM 0 HB ILE B 31 -16.087 -11.143 2.504 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -18.396 -10.157 0.792 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -16.923 -9.258 1.099 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -17.362 -12.952 1.433 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -17.628 -12.912 3.192 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -18.871 -12.275 2.089 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -16.841 -10.356 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.598 -11.027 -0.000 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -17.094 -11.940 -0.313 1.00 0.00 H new ATOM 717 N GLN B 32 -16.260 -10.761 5.281 1.00 0.00 N ATOM 718 CA GLN B 32 -15.822 -11.430 6.496 1.00 0.00 C ATOM 719 C GLN B 32 -16.475 -10.833 7.737 1.00 0.00 C ATOM 720 O GLN B 32 -16.671 -11.526 8.738 1.00 0.00 O ATOM 721 CB GLN B 32 -14.305 -11.351 6.603 1.00 0.00 C ATOM 722 CG GLN B 32 -13.594 -12.101 5.492 1.00 0.00 C ATOM 723 CD GLN B 32 -12.088 -12.069 5.637 1.00 0.00 C ATOM 724 OE1 GLN B 32 -11.419 -11.186 5.099 1.00 0.00 O ATOM 725 NE2 GLN B 32 -11.547 -13.028 6.369 1.00 0.00 N ATOM 0 H GLN B 32 -15.542 -10.184 4.842 1.00 0.00 H new ATOM 0 HA GLN B 32 -16.130 -12.474 6.439 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -13.999 -10.305 6.582 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -13.992 -11.756 7.566 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -13.932 -13.137 5.484 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -13.872 -11.668 4.531 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -12.140 -13.740 6.796 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.537 -13.056 6.506 1.00 0.00 H new ATOM 734 N ASP B 33 -16.799 -9.553 7.678 1.00 0.00 N ATOM 735 CA ASP B 33 -17.510 -8.897 8.754 1.00 0.00 C ATOM 736 C ASP B 33 -19.008 -9.044 8.555 1.00 0.00 C ATOM 737 O ASP B 33 -19.567 -8.477 7.621 1.00 0.00 O ATOM 738 CB ASP B 33 -17.143 -7.417 8.797 1.00 0.00 C ATOM 739 CG ASP B 33 -15.968 -7.122 9.703 1.00 0.00 C ATOM 740 OD1 ASP B 33 -16.168 -7.016 10.929 1.00 0.00 O ATOM 741 OD2 ASP B 33 -14.840 -6.973 9.197 1.00 0.00 O1- ATOM 0 H ASP B 33 -16.578 -8.946 6.889 1.00 0.00 H new ATOM 0 HA ASP B 33 -17.226 -9.365 9.697 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -16.910 -7.077 7.788 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -18.007 -6.844 9.135 1.00 0.00 H new ATOM 746 N PRO B 34 -19.685 -9.805 9.435 1.00 0.00 N ATOM 747 CA PRO B 34 -21.132 -10.031 9.335 1.00 0.00 C ATOM 748 C PRO B 34 -21.911 -8.725 9.400 1.00 0.00 C ATOM 749 O PRO B 34 -22.992 -8.602 8.825 1.00 0.00 O ATOM 750 CB PRO B 34 -21.459 -10.907 10.548 1.00 0.00 C ATOM 751 CG PRO B 34 -20.158 -11.497 10.970 1.00 0.00 C ATOM 752 CD PRO B 34 -19.098 -10.501 10.593 1.00 0.00 C ATOM 0 HA PRO B 34 -21.406 -10.493 8.387 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -21.902 -10.318 11.351 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -22.178 -11.684 10.289 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -20.148 -11.687 12.043 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -19.986 -12.453 10.475 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -18.884 -9.812 11.410 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -18.159 -10.991 10.335 1.00 0.00 H new ATOM 760 N ASP B 35 -21.347 -7.756 10.110 1.00 0.00 N ATOM 761 CA ASP B 35 -21.925 -6.419 10.198 1.00 0.00 C ATOM 762 C ASP B 35 -21.980 -5.783 8.822 1.00 0.00 C ATOM 763 O ASP B 35 -23.013 -5.290 8.377 1.00 0.00 O ATOM 764 CB ASP B 35 -21.073 -5.519 11.092 1.00 0.00 C ATOM 765 CG ASP B 35 -20.808 -6.104 12.461 1.00 0.00 C ATOM 766 OD1 ASP B 35 -19.808 -6.832 12.613 1.00 0.00 O ATOM 767 OD2 ASP B 35 -21.583 -5.824 13.397 1.00 0.00 O1- ATOM 0 H ASP B 35 -20.482 -7.872 10.638 1.00 0.00 H new ATOM 0 HA ASP B 35 -22.927 -6.519 10.616 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -20.121 -5.326 10.598 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -21.573 -4.557 11.207 1.00 0.00 H new ATOM 772 N LEU B 36 -20.838 -5.783 8.170 1.00 0.00 N ATOM 773 CA LEU B 36 -20.664 -5.147 6.890 1.00 0.00 C ATOM 774 C LEU B 36 -21.328 -5.957 5.782 1.00 0.00 C ATOM 775 O LEU B 36 -21.837 -5.396 4.808 1.00 0.00 O ATOM 776 CB LEU B 36 -19.169 -5.022 6.634 1.00 0.00 C ATOM 777 CG LEU B 36 -18.388 -4.035 7.524 1.00 0.00 C ATOM 778 CD1 LEU B 36 -18.409 -2.649 6.917 1.00 0.00 C ATOM 779 CD2 LEU B 36 -18.892 -3.958 8.952 1.00 0.00 C ATOM 0 H LEU B 36 -19.993 -6.233 8.523 1.00 0.00 H new ATOM 0 HA LEU B 36 -21.134 -4.164 6.897 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -18.722 -6.009 6.749 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -19.027 -4.727 5.594 1.00 0.00 H new ATOM 0 HG LEU B 36 -17.371 -4.424 7.568 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -17.854 -1.963 7.557 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -17.949 -2.677 5.929 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -19.440 -2.307 6.827 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -18.290 -3.242 9.512 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -19.933 -3.636 8.953 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -18.815 -4.940 9.418 1.00 0.00 H new ATOM 791 N LYS B 37 -21.330 -7.277 5.952 1.00 0.00 N ATOM 792 CA LYS B 37 -21.935 -8.190 4.984 1.00 0.00 C ATOM 793 C LYS B 37 -23.406 -7.857 4.780 1.00 0.00 C ATOM 794 O LYS B 37 -23.964 -8.094 3.709 1.00 0.00 O ATOM 795 CB LYS B 37 -21.781 -9.643 5.453 1.00 0.00 C ATOM 796 CG LYS B 37 -22.344 -10.667 4.476 1.00 0.00 C ATOM 797 CD LYS B 37 -21.567 -10.684 3.168 1.00 0.00 C ATOM 798 CE LYS B 37 -22.267 -11.524 2.112 1.00 0.00 C ATOM 799 NZ LYS B 37 -22.476 -12.927 2.555 1.00 0.00 N1+ ATOM 0 H LYS B 37 -20.915 -7.742 6.759 1.00 0.00 H new ATOM 0 HA LYS B 37 -21.418 -8.072 4.032 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -20.724 -9.852 5.615 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -22.280 -9.759 6.415 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -22.314 -11.658 4.930 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -23.391 -10.440 4.274 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -21.447 -9.664 2.802 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -20.566 -11.079 3.344 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -23.230 -11.074 1.872 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -21.676 -11.519 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -22.815 -13.497 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -21.578 -13.319 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -23.182 -12.949 3.318 1.00 0.00 H new ATOM 813 N LYS B 38 -24.014 -7.293 5.815 1.00 0.00 N ATOM 814 CA LYS B 38 -25.394 -6.843 5.749 1.00 0.00 C ATOM 815 C LYS B 38 -25.602 -5.925 4.554 1.00 0.00 C ATOM 816 O LYS B 38 -26.459 -6.168 3.710 1.00 0.00 O ATOM 817 CB LYS B 38 -25.758 -6.096 7.027 1.00 0.00 C ATOM 818 CG LYS B 38 -25.574 -6.925 8.279 1.00 0.00 C ATOM 819 CD LYS B 38 -26.160 -6.229 9.490 1.00 0.00 C ATOM 820 CE LYS B 38 -26.003 -7.069 10.743 1.00 0.00 C ATOM 821 NZ LYS B 38 -26.526 -6.373 11.946 1.00 0.00 N1+ ATOM 0 H LYS B 38 -23.566 -7.136 6.718 1.00 0.00 H new ATOM 0 HA LYS B 38 -26.035 -7.718 5.639 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -25.145 -5.198 7.101 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -26.796 -5.769 6.965 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -26.052 -7.896 8.148 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -24.512 -7.111 8.442 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -25.668 -5.267 9.632 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -27.217 -6.024 9.318 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -26.529 -8.015 10.614 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -24.950 -7.307 10.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -26.400 -6.980 12.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -26.007 -5.482 12.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -27.537 -6.168 11.816 1.00 0.00 H new ATOM 835 N ARG B 39 -24.766 -4.898 4.467 1.00 0.00 N ATOM 836 CA ARG B 39 -24.919 -3.868 3.453 1.00 0.00 C ATOM 837 C ARG B 39 -24.363 -4.358 2.122 1.00 0.00 C ATOM 838 O ARG B 39 -24.794 -3.928 1.053 1.00 0.00 O ATOM 839 CB ARG B 39 -24.204 -2.591 3.902 1.00 0.00 C ATOM 840 CG ARG B 39 -24.573 -1.359 3.094 1.00 0.00 C ATOM 841 CD ARG B 39 -26.068 -1.085 3.145 1.00 0.00 C ATOM 842 NE ARG B 39 -26.567 -1.019 4.519 1.00 0.00 N ATOM 843 CZ ARG B 39 -27.852 -1.134 4.849 1.00 0.00 C ATOM 844 NH1 ARG B 39 -28.777 -1.280 3.910 1.00 0.00 N1+ ATOM 845 NH2 ARG B 39 -28.218 -1.092 6.124 1.00 0.00 N ATOM 0 H ARG B 39 -23.972 -4.758 5.091 1.00 0.00 H new ATOM 0 HA ARG B 39 -25.978 -3.646 3.321 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -24.435 -2.407 4.951 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -23.127 -2.747 3.836 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -24.031 -0.495 3.478 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -24.262 -1.496 2.058 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -26.282 -0.145 2.636 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -26.599 -1.868 2.604 1.00 0.00 H new ATOM 0 HE ARG B 39 -25.890 -0.876 5.269 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -28.506 -1.305 2.927 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -29.759 -1.367 4.171 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -27.515 -0.971 6.853 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -29.203 -1.180 6.375 1.00 0.00 H new ATOM 859 N PHE B 40 -23.412 -5.274 2.208 1.00 0.00 N ATOM 860 CA PHE B 40 -22.803 -5.876 1.036 1.00 0.00 C ATOM 861 C PHE B 40 -23.837 -6.695 0.265 1.00 0.00 C ATOM 862 O PHE B 40 -23.921 -6.616 -0.964 1.00 0.00 O ATOM 863 CB PHE B 40 -21.638 -6.757 1.485 1.00 0.00 C ATOM 864 CG PHE B 40 -20.794 -7.296 0.367 1.00 0.00 C ATOM 865 CD1 PHE B 40 -20.824 -8.643 0.045 1.00 0.00 C ATOM 866 CD2 PHE B 40 -19.959 -6.458 -0.352 1.00 0.00 C ATOM 867 CE1 PHE B 40 -20.039 -9.142 -0.976 1.00 0.00 C ATOM 868 CE2 PHE B 40 -19.174 -6.951 -1.373 1.00 0.00 C ATOM 869 CZ PHE B 40 -19.212 -8.295 -1.686 1.00 0.00 C ATOM 0 H PHE B 40 -23.041 -5.620 3.093 1.00 0.00 H new ATOM 0 HA PHE B 40 -22.430 -5.097 0.370 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -21.002 -6.181 2.157 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -22.034 -7.594 2.060 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -21.468 -9.310 0.598 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -19.922 -5.406 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -20.072 -10.194 -1.219 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -18.529 -6.285 -1.928 1.00 0.00 H new ATOM 0 HZ PHE B 40 -18.596 -8.683 -2.484 1.00 0.00 H new ATOM 879 N ASP B 41 -24.640 -7.457 0.999 1.00 0.00 N ATOM 880 CA ASP B 41 -25.679 -8.283 0.393 1.00 0.00 C ATOM 881 C ASP B 41 -26.883 -7.432 -0.006 1.00 0.00 C ATOM 882 O ASP B 41 -27.605 -7.766 -0.945 1.00 0.00 O ATOM 883 CB ASP B 41 -26.108 -9.391 1.357 1.00 0.00 C ATOM 884 CG ASP B 41 -27.105 -10.354 0.739 1.00 0.00 C ATOM 885 OD1 ASP B 41 -26.673 -11.280 0.014 1.00 0.00 O ATOM 886 OD2 ASP B 41 -28.318 -10.205 0.995 1.00 0.00 O1- ATOM 0 H ASP B 41 -24.592 -7.520 2.016 1.00 0.00 H new ATOM 0 HA ASP B 41 -25.270 -8.741 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -25.227 -9.945 1.681 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -26.548 -8.942 2.247 1.00 0.00 H new ATOM 891 N GLU B 42 -27.089 -6.326 0.704 1.00 0.00 N ATOM 892 CA GLU B 42 -28.168 -5.393 0.382 1.00 0.00 C ATOM 893 C GLU B 42 -28.030 -4.859 -1.039 1.00 0.00 C ATOM 894 O GLU B 42 -29.009 -4.764 -1.776 1.00 0.00 O ATOM 895 CB GLU B 42 -28.181 -4.216 1.359 1.00 0.00 C ATOM 896 CG GLU B 42 -28.730 -4.561 2.732 1.00 0.00 C ATOM 897 CD GLU B 42 -30.202 -4.909 2.698 1.00 0.00 C ATOM 898 OE1 GLU B 42 -30.540 -6.057 2.342 1.00 0.00 O ATOM 899 OE2 GLU B 42 -31.029 -4.035 3.027 1.00 0.00 O1- ATOM 0 H GLU B 42 -26.523 -6.053 1.507 1.00 0.00 H new ATOM 0 HA GLU B 42 -29.105 -5.944 0.466 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -27.165 -3.837 1.470 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -28.777 -3.409 0.933 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -28.171 -5.402 3.142 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -28.575 -3.717 3.404 1.00 0.00 H new ATOM 906 N ILE B 43 -26.809 -4.516 -1.418 1.00 0.00 N ATOM 907 CA ILE B 43 -26.552 -3.951 -2.736 1.00 0.00 C ATOM 908 C ILE B 43 -26.310 -5.071 -3.753 1.00 0.00 C ATOM 909 O ILE B 43 -26.097 -4.826 -4.947 1.00 0.00 O ATOM 910 CB ILE B 43 -25.341 -2.982 -2.689 1.00 0.00 C ATOM 911 CG1 ILE B 43 -25.480 -2.015 -1.506 1.00 0.00 C ATOM 912 CG2 ILE B 43 -25.200 -2.190 -3.984 1.00 0.00 C ATOM 913 CD1 ILE B 43 -26.777 -1.228 -1.495 1.00 0.00 C ATOM 0 H ILE B 43 -25.980 -4.618 -0.833 1.00 0.00 H new ATOM 0 HA ILE B 43 -27.428 -3.383 -3.048 1.00 0.00 H new ATOM 0 HB ILE B 43 -24.443 -3.588 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -25.404 -2.581 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -24.644 -1.316 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -24.341 -1.523 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -25.056 -2.878 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -26.102 -1.602 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -26.795 -0.569 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -26.849 -0.632 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -27.620 -1.917 -1.445 1.00 0.00 H new ATOM 925 N LYS B 44 -26.368 -6.312 -3.255 1.00 0.00 N ATOM 926 CA LYS B 44 -26.176 -7.508 -4.075 1.00 0.00 C ATOM 927 C LYS B 44 -24.844 -7.451 -4.805 1.00 0.00 C ATOM 928 O LYS B 44 -24.717 -7.898 -5.946 1.00 0.00 O ATOM 929 CB LYS B 44 -27.328 -7.667 -5.072 1.00 0.00 C ATOM 930 CG LYS B 44 -28.688 -7.847 -4.409 1.00 0.00 C ATOM 931 CD LYS B 44 -28.772 -9.153 -3.630 1.00 0.00 C ATOM 932 CE LYS B 44 -28.740 -10.363 -4.552 1.00 0.00 C ATOM 933 NZ LYS B 44 -29.919 -10.406 -5.455 1.00 0.00 N1+ ATOM 0 H LYS B 44 -26.550 -6.512 -2.271 1.00 0.00 H new ATOM 0 HA LYS B 44 -26.168 -8.376 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -27.362 -6.790 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -27.128 -8.527 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -28.878 -7.010 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -29.468 -7.827 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -27.942 -9.210 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -29.690 -9.168 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -27.828 -10.341 -5.148 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -28.708 -11.274 -3.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -29.997 -11.352 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -30.781 -10.199 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -29.806 -9.697 -6.208 1.00 0.00 H new ATOM 947 N MET B 45 -23.849 -6.903 -4.128 1.00 0.00 N ATOM 948 CA MET B 45 -22.546 -6.687 -4.722 1.00 0.00 C ATOM 949 C MET B 45 -21.645 -7.883 -4.459 1.00 0.00 C ATOM 950 O MET B 45 -21.782 -8.556 -3.441 1.00 0.00 O ATOM 951 CB MET B 45 -21.942 -5.398 -4.160 1.00 0.00 C ATOM 952 CG MET B 45 -20.555 -5.075 -4.685 1.00 0.00 C ATOM 953 SD MET B 45 -20.168 -3.324 -4.553 1.00 0.00 S ATOM 954 CE MET B 45 -20.517 -3.054 -2.822 1.00 0.00 C ATOM 0 H MET B 45 -23.923 -6.598 -3.158 1.00 0.00 H new ATOM 0 HA MET B 45 -22.646 -6.581 -5.802 1.00 0.00 H new ATOM 0 HB2 MET B 45 -22.608 -4.567 -4.393 1.00 0.00 H new ATOM 0 HB3 MET B 45 -21.897 -5.476 -3.074 1.00 0.00 H new ATOM 0 HG2 MET B 45 -19.815 -5.651 -4.130 1.00 0.00 H new ATOM 0 HG3 MET B 45 -20.482 -5.384 -5.728 1.00 0.00 H new ATOM 0 HE1 MET B 45 -20.294 -2.019 -2.563 1.00 0.00 H new ATOM 0 HE2 MET B 45 -21.570 -3.258 -2.627 1.00 0.00 H new ATOM 0 HE3 MET B 45 -19.901 -3.720 -2.218 1.00 0.00 H new ATOM 964 N THR B 46 -20.754 -8.165 -5.395 1.00 0.00 N ATOM 965 CA THR B 46 -19.843 -9.287 -5.265 1.00 0.00 C ATOM 966 C THR B 46 -18.394 -8.815 -5.276 1.00 0.00 C ATOM 967 O THR B 46 -18.122 -7.662 -5.616 1.00 0.00 O ATOM 968 CB THR B 46 -20.054 -10.306 -6.400 1.00 0.00 C ATOM 969 OG1 THR B 46 -20.041 -9.633 -7.667 1.00 0.00 O ATOM 970 CG2 THR B 46 -21.367 -11.051 -6.227 1.00 0.00 C ATOM 0 H THR B 46 -20.643 -7.629 -6.256 1.00 0.00 H new ATOM 0 HA THR B 46 -20.056 -9.769 -4.311 1.00 0.00 H new ATOM 0 HB THR B 46 -19.241 -11.031 -6.364 1.00 0.00 H new ATOM 0 HG1 THR B 46 -20.174 -10.286 -8.386 1.00 0.00 H new ATOM 0 HG21 THR B 46 -21.491 -11.764 -7.042 1.00 0.00 H new ATOM 0 HG22 THR B 46 -21.360 -11.584 -5.276 1.00 0.00 H new ATOM 0 HG23 THR B 46 -22.193 -10.340 -6.238 1.00 0.00 H new ATOM 978 N TYR B 47 -17.480 -9.708 -4.916 1.00 0.00 N ATOM 979 CA TYR B 47 -16.055 -9.390 -4.845 1.00 0.00 C ATOM 980 C TYR B 47 -15.565 -8.708 -6.124 1.00 0.00 C ATOM 981 O TYR B 47 -14.937 -7.645 -6.075 1.00 0.00 O ATOM 982 CB TYR B 47 -15.252 -10.671 -4.587 1.00 0.00 C ATOM 983 CG TYR B 47 -13.755 -10.496 -4.693 1.00 0.00 C ATOM 984 CD1 TYR B 47 -13.105 -10.735 -5.897 1.00 0.00 C ATOM 985 CD2 TYR B 47 -12.994 -10.084 -3.604 1.00 0.00 C ATOM 986 CE1 TYR B 47 -11.745 -10.566 -6.020 1.00 0.00 C ATOM 987 CE2 TYR B 47 -11.626 -9.916 -3.720 1.00 0.00 C ATOM 988 CZ TYR B 47 -11.008 -10.157 -4.933 1.00 0.00 C ATOM 989 OH TYR B 47 -9.651 -9.979 -5.069 1.00 0.00 O ATOM 0 H TYR B 47 -17.703 -10.671 -4.665 1.00 0.00 H new ATOM 0 HA TYR B 47 -15.904 -8.692 -4.021 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -15.493 -11.043 -3.591 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -15.568 -11.434 -5.298 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -13.678 -11.060 -6.753 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -13.477 -9.893 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -11.258 -10.754 -6.966 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -11.044 -9.598 -2.868 1.00 0.00 H new ATOM 0 HH TYR B 47 -9.210 -10.162 -4.213 1.00 0.00 H new ATOM 999 N GLU B 48 -15.877 -9.311 -7.263 1.00 0.00 N ATOM 1000 CA GLU B 48 -15.396 -8.816 -8.547 1.00 0.00 C ATOM 1001 C GLU B 48 -16.005 -7.460 -8.890 1.00 0.00 C ATOM 1002 O GLU B 48 -15.438 -6.696 -9.671 1.00 0.00 O ATOM 1003 CB GLU B 48 -15.697 -9.825 -9.647 1.00 0.00 C ATOM 1004 CG GLU B 48 -15.032 -11.171 -9.423 1.00 0.00 C ATOM 1005 CD GLU B 48 -15.245 -12.119 -10.578 1.00 0.00 C ATOM 1006 OE1 GLU B 48 -14.385 -12.161 -11.480 1.00 0.00 O ATOM 1007 OE2 GLU B 48 -16.275 -12.827 -10.589 1.00 0.00 O1- ATOM 0 H GLU B 48 -16.462 -10.145 -7.325 1.00 0.00 H new ATOM 0 HA GLU B 48 -14.317 -8.684 -8.470 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -16.776 -9.967 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -15.368 -9.419 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -13.963 -11.024 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -15.425 -11.620 -8.511 1.00 0.00 H new ATOM 1014 N GLN B 49 -17.153 -7.162 -8.302 1.00 0.00 N ATOM 1015 CA GLN B 49 -17.796 -5.874 -8.503 1.00 0.00 C ATOM 1016 C GLN B 49 -17.074 -4.797 -7.700 1.00 0.00 C ATOM 1017 O GLN B 49 -16.950 -3.656 -8.143 1.00 0.00 O ATOM 1018 CB GLN B 49 -19.267 -5.936 -8.089 1.00 0.00 C ATOM 1019 CG GLN B 49 -19.981 -4.594 -8.171 1.00 0.00 C ATOM 1020 CD GLN B 49 -20.196 -4.125 -9.594 1.00 0.00 C ATOM 1021 OE1 GLN B 49 -21.221 -4.422 -10.208 1.00 0.00 O ATOM 1022 NE2 GLN B 49 -19.236 -3.389 -10.125 1.00 0.00 N ATOM 0 H GLN B 49 -17.658 -7.795 -7.682 1.00 0.00 H new ATOM 0 HA GLN B 49 -17.744 -5.624 -9.563 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -19.785 -6.653 -8.726 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -19.333 -6.311 -7.068 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -20.946 -4.671 -7.670 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -19.400 -3.846 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -18.403 -3.167 -9.580 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -19.328 -3.043 -11.080 1.00 0.00 H new ATOM 1031 N CYS B 50 -16.594 -5.166 -6.519 1.00 0.00 N ATOM 1032 CA CYS B 50 -15.900 -4.222 -5.655 1.00 0.00 C ATOM 1033 C CYS B 50 -14.567 -3.816 -6.257 1.00 0.00 C ATOM 1034 O CYS B 50 -14.228 -2.640 -6.292 1.00 0.00 O ATOM 1035 CB CYS B 50 -15.628 -4.828 -4.282 1.00 0.00 C ATOM 1036 SG CYS B 50 -17.032 -5.702 -3.525 1.00 0.00 S ATOM 0 H CYS B 50 -16.673 -6.109 -6.139 1.00 0.00 H new ATOM 0 HA CYS B 50 -16.548 -3.352 -5.554 1.00 0.00 H new ATOM 0 HB2 CYS B 50 -14.793 -5.523 -4.369 1.00 0.00 H new ATOM 0 HB3 CYS B 50 -15.311 -4.032 -3.608 1.00 0.00 H new ATOM 0 HG CYS B 50 -16.650 -6.256 -2.413 1.00 0.00 H new ATOM 1041 N VAL B 51 -13.817 -4.797 -6.745 1.00 0.00 N ATOM 1042 CA VAL B 51 -12.434 -4.566 -7.148 1.00 0.00 C ATOM 1043 C VAL B 51 -12.304 -3.659 -8.365 1.00 0.00 C ATOM 1044 O VAL B 51 -11.213 -3.189 -8.665 1.00 0.00 O ATOM 1045 CB VAL B 51 -11.674 -5.882 -7.409 1.00 0.00 C ATOM 1046 CG1 VAL B 51 -11.460 -6.638 -6.110 1.00 0.00 C ATOM 1047 CG2 VAL B 51 -12.410 -6.742 -8.421 1.00 0.00 C ATOM 0 H VAL B 51 -14.141 -5.756 -6.871 1.00 0.00 H new ATOM 0 HA VAL B 51 -11.980 -4.055 -6.299 1.00 0.00 H new ATOM 0 HB VAL B 51 -10.698 -5.636 -7.827 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -10.922 -7.564 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -10.878 -6.023 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -12.426 -6.870 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -11.854 -7.664 -8.588 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -13.403 -6.981 -8.041 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -12.502 -6.199 -9.362 1.00 0.00 H new ATOM 1057 N THR B 52 -13.396 -3.420 -9.074 1.00 0.00 N ATOM 1058 CA THR B 52 -13.366 -2.462 -10.169 1.00 0.00 C ATOM 1059 C THR B 52 -13.774 -1.068 -9.674 1.00 0.00 C ATOM 1060 O THR B 52 -13.561 -0.061 -10.349 1.00 0.00 O ATOM 1061 CB THR B 52 -14.255 -2.912 -11.352 1.00 0.00 C ATOM 1062 OG1 THR B 52 -14.127 -2.002 -12.450 1.00 0.00 O ATOM 1063 CG2 THR B 52 -15.716 -3.018 -10.948 1.00 0.00 C ATOM 0 H THR B 52 -14.299 -3.867 -8.916 1.00 0.00 H new ATOM 0 HA THR B 52 -12.342 -2.413 -10.538 1.00 0.00 H new ATOM 0 HB THR B 52 -13.912 -3.901 -11.657 1.00 0.00 H new ATOM 0 HG1 THR B 52 -14.694 -2.301 -13.191 1.00 0.00 H new ATOM 0 HG21 THR B 52 -16.308 -3.337 -11.806 1.00 0.00 H new ATOM 0 HG22 THR B 52 -15.819 -3.747 -10.145 1.00 0.00 H new ATOM 0 HG23 THR B 52 -16.070 -2.046 -10.604 1.00 0.00 H new ATOM 1071 N LEU B 53 -14.339 -1.021 -8.470 1.00 0.00 N ATOM 1072 CA LEU B 53 -14.790 0.233 -7.866 1.00 0.00 C ATOM 1073 C LEU B 53 -13.778 0.751 -6.848 1.00 0.00 C ATOM 1074 O LEU B 53 -13.619 1.956 -6.681 1.00 0.00 O ATOM 1075 CB LEU B 53 -16.146 0.034 -7.183 1.00 0.00 C ATOM 1076 CG LEU B 53 -17.381 0.397 -8.014 1.00 0.00 C ATOM 1077 CD1 LEU B 53 -17.400 -0.352 -9.336 1.00 0.00 C ATOM 1078 CD2 LEU B 53 -18.644 0.102 -7.222 1.00 0.00 C ATOM 0 H LEU B 53 -14.497 -1.844 -7.888 1.00 0.00 H new ATOM 0 HA LEU B 53 -14.888 0.970 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU B 53 -16.229 -1.011 -6.884 1.00 0.00 H new ATOM 0 HB3 LEU B 53 -16.160 0.629 -6.270 1.00 0.00 H new ATOM 0 HG LEU B 53 -17.338 1.463 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU B 53 -18.289 -0.071 -9.901 1.00 0.00 H new ATOM 0 HD12 LEU B 53 -16.510 -0.098 -9.911 1.00 0.00 H new ATOM 0 HD13 LEU B 53 -17.415 -1.425 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU B 53 -19.517 0.363 -7.820 1.00 0.00 H new ATOM 0 HD22 LEU B 53 -18.678 -0.959 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU B 53 -18.644 0.690 -6.304 1.00 0.00 H new ATOM 1090 N ILE B 54 -13.105 -0.167 -6.164 1.00 0.00 N ATOM 1091 CA ILE B 54 -12.093 0.194 -5.169 1.00 0.00 C ATOM 1092 C ILE B 54 -10.978 1.084 -5.754 1.00 0.00 C ATOM 1093 O ILE B 54 -10.555 2.036 -5.100 1.00 0.00 O ATOM 1094 CB ILE B 54 -11.466 -1.054 -4.504 1.00 0.00 C ATOM 1095 CG1 ILE B 54 -12.549 -1.928 -3.863 1.00 0.00 C ATOM 1096 CG2 ILE B 54 -10.443 -0.635 -3.456 1.00 0.00 C ATOM 1097 CD1 ILE B 54 -13.271 -1.256 -2.720 1.00 0.00 C ATOM 0 H ILE B 54 -13.240 -1.172 -6.278 1.00 0.00 H new ATOM 0 HA ILE B 54 -12.622 0.769 -4.409 1.00 0.00 H new ATOM 0 HB ILE B 54 -10.963 -1.637 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -13.276 -2.209 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -12.093 -2.850 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -10.009 -1.523 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -9.655 -0.050 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -10.932 -0.032 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -14.023 -1.934 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -12.556 -1.000 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -13.756 -0.349 -3.079 1.00 0.00 H new ATOM 1109 N PRO B 55 -10.468 0.792 -6.980 1.00 0.00 N ATOM 1110 CA PRO B 55 -9.469 1.644 -7.658 1.00 0.00 C ATOM 1111 C PRO B 55 -9.870 3.120 -7.726 1.00 0.00 C ATOM 1112 O PRO B 55 -9.027 3.993 -7.940 1.00 0.00 O ATOM 1113 CB PRO B 55 -9.398 1.053 -9.066 1.00 0.00 C ATOM 1114 CG PRO B 55 -9.751 -0.377 -8.882 1.00 0.00 C ATOM 1115 CD PRO B 55 -10.774 -0.406 -7.784 1.00 0.00 C ATOM 0 HA PRO B 55 -8.521 1.643 -7.119 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -10.094 1.551 -9.742 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -8.402 1.165 -9.495 1.00 0.00 H new ATOM 0 HG2 PRO B 55 -10.152 -0.803 -9.802 1.00 0.00 H new ATOM 0 HG3 PRO B 55 -8.873 -0.965 -8.615 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -11.788 -0.371 -8.182 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -10.696 -1.316 -7.190 1.00 0.00 H new ATOM 1123 N GLU B 56 -11.155 3.399 -7.550 1.00 0.00 N ATOM 1124 CA GLU B 56 -11.636 4.772 -7.533 1.00 0.00 C ATOM 1125 C GLU B 56 -11.270 5.434 -6.209 1.00 0.00 C ATOM 1126 O GLU B 56 -10.902 6.609 -6.161 1.00 0.00 O ATOM 1127 CB GLU B 56 -13.154 4.826 -7.734 1.00 0.00 C ATOM 1128 CG GLU B 56 -13.636 4.199 -9.034 1.00 0.00 C ATOM 1129 CD GLU B 56 -12.960 4.786 -10.254 1.00 0.00 C ATOM 1130 OE1 GLU B 56 -13.145 5.994 -10.521 1.00 0.00 O ATOM 1131 OE2 GLU B 56 -12.251 4.041 -10.963 1.00 0.00 O1- ATOM 0 H GLU B 56 -11.880 2.694 -7.417 1.00 0.00 H new ATOM 0 HA GLU B 56 -11.161 5.309 -8.354 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -13.638 4.320 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -13.476 5.867 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -13.452 3.125 -9.004 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -14.714 4.336 -9.120 1.00 0.00 H new ATOM 1138 N SER B 57 -11.349 4.660 -5.138 1.00 0.00 N ATOM 1139 CA SER B 57 -11.090 5.167 -3.804 1.00 0.00 C ATOM 1140 C SER B 57 -9.613 5.027 -3.433 1.00 0.00 C ATOM 1141 O SER B 57 -9.109 5.783 -2.599 1.00 0.00 O ATOM 1142 CB SER B 57 -11.965 4.425 -2.798 1.00 0.00 C ATOM 1143 OG SER B 57 -13.340 4.571 -3.117 1.00 0.00 O ATOM 0 H SER B 57 -11.593 3.670 -5.170 1.00 0.00 H new ATOM 0 HA SER B 57 -11.335 6.229 -3.784 1.00 0.00 H new ATOM 0 HB2 SER B 57 -11.700 3.368 -2.790 1.00 0.00 H new ATOM 0 HB3 SER B 57 -11.778 4.808 -1.795 1.00 0.00 H new ATOM 0 HG SER B 57 -13.676 5.410 -2.739 1.00 0.00 H new ATOM 1149 N THR B 58 -8.920 4.071 -4.054 1.00 0.00 N ATOM 1150 CA THR B 58 -7.492 3.877 -3.806 1.00 0.00 C ATOM 1151 C THR B 58 -6.722 5.151 -4.123 1.00 0.00 C ATOM 1152 O THR B 58 -6.020 5.693 -3.273 1.00 0.00 O ATOM 1153 CB THR B 58 -6.905 2.720 -4.645 1.00 0.00 C ATOM 1154 OG1 THR B 58 -7.226 2.902 -6.025 1.00 0.00 O ATOM 1155 CG2 THR B 58 -7.430 1.373 -4.181 1.00 0.00 C ATOM 0 H THR B 58 -9.323 3.422 -4.730 1.00 0.00 H new ATOM 0 HA THR B 58 -7.388 3.624 -2.751 1.00 0.00 H new ATOM 0 HB THR B 58 -5.823 2.732 -4.511 1.00 0.00 H new ATOM 0 HG1 THR B 58 -6.720 2.260 -6.566 1.00 0.00 H new ATOM 0 HG21 THR B 58 -6.996 0.583 -4.794 1.00 0.00 H new ATOM 0 HG22 THR B 58 -7.156 1.215 -3.138 1.00 0.00 H new ATOM 0 HG23 THR B 58 -8.515 1.353 -4.278 1.00 0.00 H new ATOM 1163 N LYS B 59 -6.887 5.631 -5.349 1.00 0.00 N ATOM 1164 CA LYS B 59 -6.235 6.850 -5.804 1.00 0.00 C ATOM 1165 C LYS B 59 -6.713 8.051 -4.993 1.00 0.00 C ATOM 1166 O LYS B 59 -5.937 8.955 -4.679 1.00 0.00 O ATOM 1167 CB LYS B 59 -6.520 7.056 -7.295 1.00 0.00 C ATOM 1168 CG LYS B 59 -5.945 8.341 -7.870 1.00 0.00 C ATOM 1169 CD LYS B 59 -4.454 8.458 -7.603 1.00 0.00 C ATOM 1170 CE LYS B 59 -3.879 9.706 -8.246 1.00 0.00 C ATOM 1171 NZ LYS B 59 -2.495 9.977 -7.786 1.00 0.00 N1+ ATOM 0 H LYS B 59 -7.475 5.187 -6.054 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.159 6.755 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.115 6.210 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -7.599 7.053 -7.451 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -6.126 8.372 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -6.461 9.197 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -4.275 8.484 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -3.942 7.577 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -3.886 9.592 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -4.514 10.561 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -2.042 10.657 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -2.520 10.373 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -1.951 9.091 -7.781 1.00 0.00 H new ATOM 1185 N LYS B 60 -7.990 8.037 -4.641 1.00 0.00 N ATOM 1186 CA LYS B 60 -8.585 9.115 -3.868 1.00 0.00 C ATOM 1187 C LYS B 60 -7.910 9.239 -2.504 1.00 0.00 C ATOM 1188 O LYS B 60 -7.401 10.301 -2.149 1.00 0.00 O ATOM 1189 CB LYS B 60 -10.083 8.862 -3.691 1.00 0.00 C ATOM 1190 CG LYS B 60 -10.801 9.960 -2.930 1.00 0.00 C ATOM 1191 CD LYS B 60 -12.237 9.570 -2.612 1.00 0.00 C ATOM 1192 CE LYS B 60 -13.080 9.421 -3.868 1.00 0.00 C ATOM 1193 NZ LYS B 60 -14.486 9.064 -3.545 1.00 0.00 N1+ ATOM 0 H LYS B 60 -8.637 7.286 -4.881 1.00 0.00 H new ATOM 0 HA LYS B 60 -8.440 10.050 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -10.543 8.753 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -10.223 7.917 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -10.267 10.172 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -10.794 10.877 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -12.243 8.631 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -12.682 10.325 -1.964 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -13.061 10.354 -4.432 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -12.647 8.653 -4.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -15.100 9.312 -4.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -14.552 8.042 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -14.792 9.587 -2.700 1.00 0.00 H new ATOM 1207 N CYS B 61 -7.890 8.143 -1.756 1.00 0.00 N ATOM 1208 CA CYS B 61 -7.306 8.138 -0.422 1.00 0.00 C ATOM 1209 C CYS B 61 -5.783 8.170 -0.481 1.00 0.00 C ATOM 1210 O CYS B 61 -5.124 8.515 0.501 1.00 0.00 O ATOM 1211 CB CYS B 61 -7.784 6.917 0.359 1.00 0.00 C ATOM 1212 SG CYS B 61 -9.574 6.927 0.709 1.00 0.00 S ATOM 0 H CYS B 61 -8.272 7.245 -2.052 1.00 0.00 H new ATOM 0 HA CYS B 61 -7.637 9.040 0.093 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -7.538 6.017 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -7.239 6.863 1.301 1.00 0.00 H new ATOM 1217 N GLN B 62 -5.230 7.813 -1.634 1.00 0.00 N ATOM 1218 CA GLN B 62 -3.793 7.871 -1.842 1.00 0.00 C ATOM 1219 C GLN B 62 -3.290 9.299 -1.679 1.00 0.00 C ATOM 1220 O GLN B 62 -2.477 9.576 -0.802 1.00 0.00 O ATOM 1221 CB GLN B 62 -3.431 7.344 -3.229 1.00 0.00 C ATOM 1222 CG GLN B 62 -1.962 7.504 -3.578 1.00 0.00 C ATOM 1223 CD GLN B 62 -1.635 6.999 -4.969 1.00 0.00 C ATOM 1224 OE1 GLN B 62 -2.258 6.063 -5.468 1.00 0.00 O ATOM 1225 NE2 GLN B 62 -0.666 7.630 -5.613 1.00 0.00 N ATOM 0 H GLN B 62 -5.759 7.480 -2.440 1.00 0.00 H new ATOM 0 HA GLN B 62 -3.313 7.242 -1.093 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -3.696 6.288 -3.288 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -4.031 7.866 -3.974 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -1.687 8.556 -3.504 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -1.358 6.964 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -0.173 8.402 -5.164 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -0.412 7.344 -6.559 1.00 0.00 H new ATOM 1234 N ASP B 63 -3.811 10.206 -2.500 1.00 0.00 N ATOM 1235 CA ASP B 63 -3.376 11.604 -2.479 1.00 0.00 C ATOM 1236 C ASP B 63 -3.704 12.275 -1.148 1.00 0.00 C ATOM 1237 O ASP B 63 -3.142 13.321 -0.818 1.00 0.00 O ATOM 1238 CB ASP B 63 -3.999 12.384 -3.638 1.00 0.00 C ATOM 1239 CG ASP B 63 -3.167 12.304 -4.904 1.00 0.00 C ATOM 1240 OD1 ASP B 63 -2.690 13.362 -5.378 1.00 0.00 O ATOM 1241 OD2 ASP B 63 -2.960 11.186 -5.424 1.00 0.00 O1- ATOM 0 H ASP B 63 -4.535 10.001 -3.189 1.00 0.00 H new ATOM 0 HA ASP B 63 -2.292 11.610 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -4.998 11.996 -3.838 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.115 13.428 -3.348 1.00 0.00 H new ATOM 1246 N GLU B 64 -4.610 11.670 -0.388 1.00 0.00 N ATOM 1247 CA GLU B 64 -4.923 12.143 0.955 1.00 0.00 C ATOM 1248 C GLU B 64 -3.705 12.013 1.858 1.00 0.00 C ATOM 1249 O GLU B 64 -3.144 13.002 2.329 1.00 0.00 O ATOM 1250 CB GLU B 64 -6.073 11.333 1.558 1.00 0.00 C ATOM 1251 CG GLU B 64 -7.399 11.509 0.840 1.00 0.00 C ATOM 1252 CD GLU B 64 -7.910 12.932 0.901 1.00 0.00 C ATOM 1253 OE1 GLU B 64 -8.344 13.365 1.986 1.00 0.00 O ATOM 1254 OE2 GLU B 64 -7.897 13.620 -0.141 1.00 0.00 O1- ATOM 0 H GLU B 64 -5.141 10.850 -0.680 1.00 0.00 H new ATOM 0 HA GLU B 64 -5.217 13.190 0.881 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.804 10.277 1.547 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -6.197 11.620 2.602 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -7.285 11.212 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -8.139 10.842 1.283 1.00 0.00 H new ATOM 1261 N LEU B 65 -3.291 10.777 2.063 1.00 0.00 N ATOM 1262 CA LEU B 65 -2.241 10.453 3.015 1.00 0.00 C ATOM 1263 C LEU B 65 -0.850 10.650 2.416 1.00 0.00 C ATOM 1264 O LEU B 65 0.107 10.893 3.148 1.00 0.00 O ATOM 1265 CB LEU B 65 -2.435 9.022 3.505 1.00 0.00 C ATOM 1266 CG LEU B 65 -3.802 8.763 4.142 1.00 0.00 C ATOM 1267 CD1 LEU B 65 -4.169 7.299 4.042 1.00 0.00 C ATOM 1268 CD2 LEU B 65 -3.813 9.216 5.593 1.00 0.00 C ATOM 0 H LEU B 65 -3.673 9.967 1.574 1.00 0.00 H new ATOM 0 HA LEU B 65 -2.313 11.137 3.861 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -2.302 8.340 2.665 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.657 8.789 4.232 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.546 9.342 3.596 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -5.144 7.136 4.501 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -4.208 7.004 2.993 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -3.420 6.700 4.560 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.794 9.023 6.027 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.055 8.667 6.151 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.598 10.283 5.643 1.00 0.00 H new ATOM 1280 N TYR B 66 -0.747 10.529 1.091 1.00 0.00 N ATOM 1281 CA TYR B 66 0.517 10.727 0.366 1.00 0.00 C ATOM 1282 C TYR B 66 1.232 12.003 0.814 1.00 0.00 C ATOM 1283 O TYR B 66 2.461 12.034 0.907 1.00 0.00 O ATOM 1284 CB TYR B 66 0.243 10.777 -1.145 1.00 0.00 C ATOM 1285 CG TYR B 66 1.456 11.073 -2.004 1.00 0.00 C ATOM 1286 CD1 TYR B 66 1.704 12.358 -2.472 1.00 0.00 C ATOM 1287 CD2 TYR B 66 2.345 10.068 -2.355 1.00 0.00 C ATOM 1288 CE1 TYR B 66 2.802 12.628 -3.266 1.00 0.00 C ATOM 1289 CE2 TYR B 66 3.445 10.331 -3.146 1.00 0.00 C ATOM 1290 CZ TYR B 66 3.669 11.611 -3.598 1.00 0.00 C ATOM 1291 OH TYR B 66 4.765 11.876 -4.387 1.00 0.00 O ATOM 0 H TYR B 66 -1.534 10.291 0.488 1.00 0.00 H new ATOM 0 HA TYR B 66 1.172 9.886 0.593 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -0.179 9.821 -1.455 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -0.514 11.537 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR B 66 1.028 13.158 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR B 66 2.173 9.061 -2.003 1.00 0.00 H new ATOM 0 HE1 TYR B 66 2.979 13.631 -3.624 1.00 0.00 H new ATOM 0 HE2 TYR B 66 4.127 9.536 -3.409 1.00 0.00 H new ATOM 0 HH TYR B 66 5.275 11.051 -4.527 1.00 0.00 H new ATOM 1301 N ALA B 67 0.456 13.038 1.108 1.00 0.00 N ATOM 1302 CA ALA B 67 1.007 14.315 1.548 1.00 0.00 C ATOM 1303 C ALA B 67 1.745 14.179 2.878 1.00 0.00 C ATOM 1304 O ALA B 67 2.759 14.834 3.109 1.00 0.00 O ATOM 1305 CB ALA B 67 -0.103 15.346 1.669 1.00 0.00 C ATOM 0 H ALA B 67 -0.562 13.018 1.050 1.00 0.00 H new ATOM 0 HA ALA B 67 1.728 14.645 0.800 1.00 0.00 H new ATOM 0 HB1 ALA B 67 0.317 16.296 1.998 1.00 0.00 H new ATOM 0 HB2 ALA B 67 -0.584 15.478 0.700 1.00 0.00 H new ATOM 0 HB3 ALA B 67 -0.840 15.004 2.396 1.00 0.00 H new ATOM 1311 N SER B 68 1.238 13.313 3.741 1.00 0.00 N ATOM 1312 CA SER B 68 1.806 13.124 5.067 1.00 0.00 C ATOM 1313 C SER B 68 2.869 12.021 5.057 1.00 0.00 C ATOM 1314 O SER B 68 3.732 11.970 5.934 1.00 0.00 O ATOM 1315 CB SER B 68 0.690 12.773 6.052 1.00 0.00 C ATOM 1316 OG SER B 68 -0.407 13.662 5.915 1.00 0.00 O ATOM 0 H SER B 68 0.428 12.725 3.545 1.00 0.00 H new ATOM 0 HA SER B 68 2.288 14.051 5.377 1.00 0.00 H new ATOM 0 HB2 SER B 68 0.357 11.749 5.880 1.00 0.00 H new ATOM 0 HB3 SER B 68 1.073 12.817 7.072 1.00 0.00 H new ATOM 0 HG SER B 68 -1.109 13.417 6.554 1.00 0.00 H new ATOM 1322 N MET B 69 2.793 11.147 4.057 1.00 0.00 N ATOM 1323 CA MET B 69 3.721 10.027 3.921 1.00 0.00 C ATOM 1324 C MET B 69 5.160 10.507 3.762 1.00 0.00 C ATOM 1325 O MET B 69 5.425 11.493 3.066 1.00 0.00 O ATOM 1326 CB MET B 69 3.332 9.171 2.713 1.00 0.00 C ATOM 1327 CG MET B 69 2.024 8.417 2.885 1.00 0.00 C ATOM 1328 SD MET B 69 1.511 7.568 1.379 1.00 0.00 S ATOM 1329 CE MET B 69 2.859 6.412 1.161 1.00 0.00 C ATOM 0 H MET B 69 2.089 11.194 3.320 1.00 0.00 H new ATOM 0 HA MET B 69 3.659 9.432 4.832 1.00 0.00 H new ATOM 0 HB2 MET B 69 3.257 9.813 1.835 1.00 0.00 H new ATOM 0 HB3 MET B 69 4.129 8.454 2.517 1.00 0.00 H new ATOM 0 HG2 MET B 69 2.131 7.689 3.689 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.244 9.115 3.188 1.00 0.00 H new ATOM 0 HE1 MET B 69 2.684 5.814 0.267 1.00 0.00 H new ATOM 0 HE2 MET B 69 3.795 6.960 1.053 1.00 0.00 H new ATOM 0 HE3 MET B 69 2.920 5.757 2.030 1.00 0.00 H new ATOM 1339 N PRO B 70 6.104 9.812 4.418 1.00 0.00 N ATOM 1340 CA PRO B 70 7.536 10.121 4.336 1.00 0.00 C ATOM 1341 C PRO B 70 8.139 9.704 2.997 1.00 0.00 C ATOM 1342 O PRO B 70 7.433 9.165 2.145 1.00 0.00 O ATOM 1343 CB PRO B 70 8.138 9.294 5.475 1.00 0.00 C ATOM 1344 CG PRO B 70 7.210 8.140 5.628 1.00 0.00 C ATOM 1345 CD PRO B 70 5.839 8.665 5.306 1.00 0.00 C ATOM 0 HA PRO B 70 7.732 11.190 4.417 1.00 0.00 H new ATOM 0 HB2 PRO B 70 9.148 8.962 5.234 1.00 0.00 H new ATOM 0 HB3 PRO B 70 8.205 9.875 6.395 1.00 0.00 H new ATOM 0 HG2 PRO B 70 7.484 7.327 4.956 1.00 0.00 H new ATOM 0 HG3 PRO B 70 7.247 7.741 6.642 1.00 0.00 H new ATOM 0 HD2 PRO B 70 5.227 7.910 4.813 1.00 0.00 H new ATOM 0 HD3 PRO B 70 5.305 8.970 6.206 1.00 0.00 H new ATOM 1353 N ASP B 71 9.432 9.950 2.814 1.00 0.00 N ATOM 1354 CA ASP B 71 10.106 9.626 1.554 1.00 0.00 C ATOM 1355 C ASP B 71 10.014 8.139 1.254 1.00 0.00 C ATOM 1356 O ASP B 71 9.553 7.733 0.184 1.00 0.00 O ATOM 1357 CB ASP B 71 11.576 10.039 1.602 1.00 0.00 C ATOM 1358 CG ASP B 71 12.269 9.858 0.265 1.00 0.00 C ATOM 1359 OD1 ASP B 71 11.930 10.592 -0.691 1.00 0.00 O ATOM 1360 OD2 ASP B 71 13.166 8.997 0.166 1.00 0.00 O1- ATOM 0 H ASP B 71 10.037 10.372 3.519 1.00 0.00 H new ATOM 0 HA ASP B 71 9.602 10.181 0.763 1.00 0.00 H new ATOM 0 HB2 ASP B 71 11.648 11.083 1.908 1.00 0.00 H new ATOM 0 HB3 ASP B 71 12.092 9.449 2.359 1.00 0.00 H new ATOM 1365 N LYS B 72 10.451 7.329 2.204 1.00 0.00 N ATOM 1366 CA LYS B 72 10.407 5.892 2.038 1.00 0.00 C ATOM 1367 C LYS B 72 9.412 5.274 3.002 1.00 0.00 C ATOM 1368 O LYS B 72 9.067 5.867 4.024 1.00 0.00 O ATOM 1369 CB LYS B 72 11.783 5.262 2.251 1.00 0.00 C ATOM 1370 CG LYS B 72 12.851 5.746 1.286 1.00 0.00 C ATOM 1371 CD LYS B 72 14.084 4.859 1.355 1.00 0.00 C ATOM 1372 CE LYS B 72 15.116 5.238 0.306 1.00 0.00 C ATOM 1373 NZ LYS B 72 16.305 4.345 0.353 1.00 0.00 N1+ ATOM 0 H LYS B 72 10.838 7.644 3.094 1.00 0.00 H new ATOM 0 HA LYS B 72 10.091 5.693 1.014 1.00 0.00 H new ATOM 0 HB2 LYS B 72 12.110 5.469 3.270 1.00 0.00 H new ATOM 0 HB3 LYS B 72 11.692 4.180 2.160 1.00 0.00 H new ATOM 0 HG2 LYS B 72 12.456 5.748 0.270 1.00 0.00 H new ATOM 0 HG3 LYS B 72 13.123 6.774 1.524 1.00 0.00 H new ATOM 0 HD2 LYS B 72 14.530 4.935 2.347 1.00 0.00 H new ATOM 0 HD3 LYS B 72 13.791 3.818 1.216 1.00 0.00 H new ATOM 0 HE2 LYS B 72 14.663 5.188 -0.684 1.00 0.00 H new ATOM 0 HE3 LYS B 72 15.430 6.270 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 16.986 4.635 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 16.752 4.411 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 16.009 3.363 0.180 1.00 0.00 H new ATOM 1387 N ILE B 73 8.970 4.077 2.673 1.00 0.00 N ATOM 1388 CA ILE B 73 8.001 3.360 3.475 1.00 0.00 C ATOM 1389 C ILE B 73 8.592 2.033 3.941 1.00 0.00 C ATOM 1390 O ILE B 73 8.805 1.120 3.140 1.00 0.00 O ATOM 1391 CB ILE B 73 6.713 3.088 2.671 1.00 0.00 C ATOM 1392 CG1 ILE B 73 6.112 4.398 2.150 1.00 0.00 C ATOM 1393 CG2 ILE B 73 5.697 2.339 3.521 1.00 0.00 C ATOM 1394 CD1 ILE B 73 5.682 5.357 3.241 1.00 0.00 C ATOM 0 H ILE B 73 9.274 3.573 1.840 1.00 0.00 H new ATOM 0 HA ILE B 73 7.752 3.978 4.338 1.00 0.00 H new ATOM 0 HB ILE B 73 6.973 2.465 1.815 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.845 4.894 1.513 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.250 4.166 1.524 1.00 0.00 H new ATOM 0 HG21 ILE B 73 4.796 2.157 2.935 1.00 0.00 H new ATOM 0 HG22 ILE B 73 6.121 1.387 3.840 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.445 2.936 4.398 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.268 6.259 2.790 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.925 4.882 3.865 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.544 5.621 3.854 1.00 0.00 H new ATOM 1406 N ASN B 74 8.864 1.940 5.232 1.00 0.00 N ATOM 1407 CA ASN B 74 9.436 0.735 5.809 1.00 0.00 C ATOM 1408 C ASN B 74 8.318 -0.237 6.187 1.00 0.00 C ATOM 1409 O ASN B 74 7.144 0.078 6.001 1.00 0.00 O ATOM 1410 CB ASN B 74 10.273 1.102 7.037 1.00 0.00 C ATOM 1411 CG ASN B 74 11.339 0.076 7.354 1.00 0.00 C ATOM 1412 OD1 ASN B 74 11.115 -0.853 8.129 1.00 0.00 O ATOM 1413 ND2 ASN B 74 12.507 0.241 6.760 1.00 0.00 N ATOM 0 H ASN B 74 8.697 2.689 5.904 1.00 0.00 H new ATOM 0 HA ASN B 74 10.083 0.250 5.078 1.00 0.00 H new ATOM 0 HB2 ASN B 74 10.746 2.070 6.871 1.00 0.00 H new ATOM 0 HB3 ASN B 74 9.615 1.212 7.899 1.00 0.00 H new ATOM 0 HD21 ASN B 74 13.267 -0.416 6.937 1.00 0.00 H new ATOM 0 HD22 ASN B 74 12.649 1.026 6.124 1.00 0.00 H new ATOM 1420 N SER B 75 8.668 -1.400 6.723 1.00 0.00 N ATOM 1421 CA SER B 75 7.675 -2.414 7.072 1.00 0.00 C ATOM 1422 C SER B 75 6.641 -1.862 8.056 1.00 0.00 C ATOM 1423 O SER B 75 5.433 -1.993 7.845 1.00 0.00 O ATOM 1424 CB SER B 75 8.373 -3.646 7.653 1.00 0.00 C ATOM 1425 OG SER B 75 9.324 -3.277 8.642 1.00 0.00 O ATOM 0 H SER B 75 9.631 -1.666 6.926 1.00 0.00 H new ATOM 0 HA SER B 75 7.143 -2.703 6.165 1.00 0.00 H new ATOM 0 HB2 SER B 75 7.632 -4.316 8.089 1.00 0.00 H new ATOM 0 HB3 SER B 75 8.870 -4.197 6.854 1.00 0.00 H new ATOM 0 HG SER B 75 9.755 -4.082 8.998 1.00 0.00 H new ATOM 1431 N GLU B 76 7.126 -1.225 9.117 1.00 0.00 N ATOM 1432 CA GLU B 76 6.254 -0.605 10.111 1.00 0.00 C ATOM 1433 C GLU B 76 5.435 0.514 9.473 1.00 0.00 C ATOM 1434 O GLU B 76 4.239 0.654 9.731 1.00 0.00 O ATOM 1435 CB GLU B 76 7.092 -0.044 11.261 1.00 0.00 C ATOM 1436 CG GLU B 76 6.274 0.628 12.352 1.00 0.00 C ATOM 1437 CD GLU B 76 7.145 1.266 13.412 1.00 0.00 C ATOM 1438 OE1 GLU B 76 7.405 0.615 14.445 1.00 0.00 O ATOM 1439 OE2 GLU B 76 7.582 2.419 13.214 1.00 0.00 O1- ATOM 0 H GLU B 76 8.122 -1.124 9.312 1.00 0.00 H new ATOM 0 HA GLU B 76 5.572 -1.362 10.499 1.00 0.00 H new ATOM 0 HB2 GLU B 76 7.672 -0.854 11.703 1.00 0.00 H new ATOM 0 HB3 GLU B 76 7.805 0.676 10.860 1.00 0.00 H new ATOM 0 HG2 GLU B 76 5.633 1.388 11.906 1.00 0.00 H new ATOM 0 HG3 GLU B 76 5.619 -0.108 12.818 1.00 0.00 H new ATOM 1446 N THR B 77 6.090 1.284 8.617 1.00 0.00 N ATOM 1447 CA THR B 77 5.472 2.424 7.963 1.00 0.00 C ATOM 1448 C THR B 77 4.342 1.961 7.048 1.00 0.00 C ATOM 1449 O THR B 77 3.295 2.602 6.951 1.00 0.00 O ATOM 1450 CB THR B 77 6.524 3.183 7.139 1.00 0.00 C ATOM 1451 OG1 THR B 77 7.775 3.173 7.837 1.00 0.00 O ATOM 1452 CG2 THR B 77 6.097 4.618 6.890 1.00 0.00 C ATOM 0 H THR B 77 7.065 1.135 8.357 1.00 0.00 H new ATOM 0 HA THR B 77 5.061 3.085 8.726 1.00 0.00 H new ATOM 0 HB THR B 77 6.628 2.684 6.175 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.344 3.895 7.498 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.862 5.129 6.305 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.154 4.627 6.343 1.00 0.00 H new ATOM 0 HG23 THR B 77 5.968 5.130 7.844 1.00 0.00 H new ATOM 1460 N ALA B 78 4.575 0.830 6.395 1.00 0.00 N ATOM 1461 CA ALA B 78 3.595 0.219 5.513 1.00 0.00 C ATOM 1462 C ALA B 78 2.306 -0.080 6.262 1.00 0.00 C ATOM 1463 O ALA B 78 1.214 0.179 5.761 1.00 0.00 O ATOM 1464 CB ALA B 78 4.170 -1.053 4.914 1.00 0.00 C ATOM 0 H ALA B 78 5.451 0.311 6.463 1.00 0.00 H new ATOM 0 HA ALA B 78 3.361 0.918 4.710 1.00 0.00 H new ATOM 0 HB1 ALA B 78 3.433 -1.509 4.253 1.00 0.00 H new ATOM 0 HB2 ALA B 78 5.069 -0.814 4.345 1.00 0.00 H new ATOM 0 HB3 ALA B 78 4.421 -1.750 5.713 1.00 0.00 H new ATOM 1470 N GLY B 79 2.444 -0.607 7.473 1.00 0.00 N ATOM 1471 CA GLY B 79 1.284 -0.907 8.287 1.00 0.00 C ATOM 1472 C GLY B 79 0.526 0.346 8.669 1.00 0.00 C ATOM 1473 O GLY B 79 -0.703 0.376 8.618 1.00 0.00 O ATOM 0 H GLY B 79 3.340 -0.832 7.905 1.00 0.00 H new ATOM 0 HA2 GLY B 79 0.622 -1.580 7.742 1.00 0.00 H new ATOM 0 HA3 GLY B 79 1.599 -1.431 9.190 1.00 0.00 H new ATOM 1477 N THR B 80 1.271 1.389 9.026 1.00 0.00 N ATOM 1478 CA THR B 80 0.691 2.659 9.444 1.00 0.00 C ATOM 1479 C THR B 80 -0.220 3.250 8.364 1.00 0.00 C ATOM 1480 O THR B 80 -1.364 3.624 8.634 1.00 0.00 O ATOM 1481 CB THR B 80 1.801 3.675 9.778 1.00 0.00 C ATOM 1482 OG1 THR B 80 2.749 3.083 10.677 1.00 0.00 O ATOM 1483 CG2 THR B 80 1.220 4.932 10.410 1.00 0.00 C ATOM 0 H THR B 80 2.291 1.376 9.033 1.00 0.00 H new ATOM 0 HA THR B 80 0.091 2.460 10.332 1.00 0.00 H new ATOM 0 HB THR B 80 2.298 3.952 8.848 1.00 0.00 H new ATOM 0 HG1 THR B 80 3.274 2.407 10.200 1.00 0.00 H new ATOM 0 HG21 THR B 80 2.025 5.631 10.635 1.00 0.00 H new ATOM 0 HG22 THR B 80 0.519 5.397 9.717 1.00 0.00 H new ATOM 0 HG23 THR B 80 0.699 4.669 11.331 1.00 0.00 H new ATOM 1491 N TRP B 81 0.279 3.323 7.138 1.00 0.00 N ATOM 1492 CA TRP B 81 -0.475 3.949 6.061 1.00 0.00 C ATOM 1493 C TRP B 81 -1.417 2.957 5.392 1.00 0.00 C ATOM 1494 O TRP B 81 -2.457 3.344 4.861 1.00 0.00 O ATOM 1495 CB TRP B 81 0.473 4.572 5.036 1.00 0.00 C ATOM 1496 CG TRP B 81 1.366 5.610 5.641 1.00 0.00 C ATOM 1497 CD1 TRP B 81 2.698 5.494 5.906 1.00 0.00 C ATOM 1498 CD2 TRP B 81 0.983 6.919 6.077 1.00 0.00 C ATOM 1499 NE1 TRP B 81 3.167 6.649 6.482 1.00 0.00 N ATOM 1500 CE2 TRP B 81 2.133 7.540 6.595 1.00 0.00 C ATOM 1501 CE3 TRP B 81 -0.222 7.626 6.077 1.00 0.00 C ATOM 1502 CZ2 TRP B 81 2.114 8.833 7.109 1.00 0.00 C ATOM 1503 CZ3 TRP B 81 -0.240 8.910 6.585 1.00 0.00 C ATOM 1504 CH2 TRP B 81 0.921 9.501 7.096 1.00 0.00 C ATOM 0 H TRP B 81 1.193 2.961 6.866 1.00 0.00 H new ATOM 0 HA TRP B 81 -1.085 4.741 6.496 1.00 0.00 H new ATOM 0 HB2 TRP B 81 1.083 3.789 4.587 1.00 0.00 H new ATOM 0 HB3 TRP B 81 -0.110 5.022 4.232 1.00 0.00 H new ATOM 0 HD1 TRP B 81 3.297 4.621 5.694 1.00 0.00 H new ATOM 0 HE1 TRP B 81 4.129 6.816 6.778 1.00 0.00 H new ATOM 0 HE3 TRP B 81 -1.123 7.176 5.687 1.00 0.00 H new ATOM 0 HZ2 TRP B 81 3.008 9.292 7.504 1.00 0.00 H new ATOM 0 HZ3 TRP B 81 -1.165 9.467 6.588 1.00 0.00 H new ATOM 0 HH2 TRP B 81 0.874 10.506 7.488 1.00 0.00 H new ATOM 1515 N GLY B 82 -1.061 1.677 5.437 1.00 0.00 N ATOM 1516 CA GLY B 82 -1.899 0.651 4.848 1.00 0.00 C ATOM 1517 C GLY B 82 -3.266 0.592 5.494 1.00 0.00 C ATOM 1518 O GLY B 82 -4.286 0.595 4.805 1.00 0.00 O ATOM 0 H GLY B 82 -0.205 1.333 5.872 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -2.011 0.843 3.781 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -1.409 -0.318 4.948 1.00 0.00 H new ATOM 1522 N ARG B 83 -3.285 0.557 6.824 1.00 0.00 N ATOM 1523 CA ARG B 83 -4.542 0.556 7.565 1.00 0.00 C ATOM 1524 C ARG B 83 -5.310 1.849 7.311 1.00 0.00 C ATOM 1525 O ARG B 83 -6.534 1.839 7.207 1.00 0.00 O ATOM 1526 CB ARG B 83 -4.293 0.384 9.068 1.00 0.00 C ATOM 1527 CG ARG B 83 -3.396 1.452 9.667 1.00 0.00 C ATOM 1528 CD ARG B 83 -3.340 1.360 11.179 1.00 0.00 C ATOM 1529 NE ARG B 83 -4.615 1.715 11.795 1.00 0.00 N ATOM 1530 CZ ARG B 83 -4.734 2.172 13.039 1.00 0.00 C ATOM 1531 NH1 ARG B 83 -3.665 2.275 13.821 1.00 0.00 N1+ ATOM 1532 NH2 ARG B 83 -5.927 2.518 13.502 1.00 0.00 N ATOM 0 H ARG B 83 -2.449 0.529 7.407 1.00 0.00 H new ATOM 0 HA ARG B 83 -5.138 -0.287 7.215 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -5.251 0.393 9.589 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -3.844 -0.594 9.243 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -2.390 1.352 9.260 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -3.761 2.437 9.376 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -3.066 0.346 11.471 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.559 2.022 11.554 1.00 0.00 H new ATOM 0 HE ARG B 83 -5.464 1.606 11.240 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -2.747 2.003 13.469 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -3.762 2.626 14.774 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -6.750 2.433 12.905 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -6.022 2.869 14.455 1.00 0.00 H new ATOM 1546 N SER B 84 -4.575 2.952 7.193 1.00 0.00 N ATOM 1547 CA SER B 84 -5.175 4.258 6.962 1.00 0.00 C ATOM 1548 C SER B 84 -5.873 4.300 5.603 1.00 0.00 C ATOM 1549 O SER B 84 -6.980 4.824 5.482 1.00 0.00 O ATOM 1550 CB SER B 84 -4.106 5.349 7.061 1.00 0.00 C ATOM 1551 OG SER B 84 -3.468 5.318 8.332 1.00 0.00 O ATOM 0 H SER B 84 -3.557 2.964 7.254 1.00 0.00 H new ATOM 0 HA SER B 84 -5.928 4.439 7.729 1.00 0.00 H new ATOM 0 HB2 SER B 84 -3.365 5.211 6.274 1.00 0.00 H new ATOM 0 HB3 SER B 84 -4.562 6.326 6.902 1.00 0.00 H new ATOM 0 HG SER B 84 -2.795 4.605 8.343 1.00 0.00 H new ATOM 1557 N LEU B 85 -5.229 3.736 4.586 1.00 0.00 N ATOM 1558 CA LEU B 85 -5.848 3.609 3.273 1.00 0.00 C ATOM 1559 C LEU B 85 -7.073 2.715 3.366 1.00 0.00 C ATOM 1560 O LEU B 85 -8.148 3.066 2.886 1.00 0.00 O ATOM 1561 CB LEU B 85 -4.864 3.022 2.253 1.00 0.00 C ATOM 1562 CG LEU B 85 -3.707 3.935 1.842 1.00 0.00 C ATOM 1563 CD1 LEU B 85 -2.737 3.178 0.951 1.00 0.00 C ATOM 1564 CD2 LEU B 85 -4.230 5.165 1.116 1.00 0.00 C ATOM 0 H LEU B 85 -4.282 3.361 4.646 1.00 0.00 H new ATOM 0 HA LEU B 85 -6.141 4.604 2.938 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -4.448 2.103 2.665 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -5.420 2.746 1.357 1.00 0.00 H new ATOM 0 HG LEU B 85 -3.185 4.259 2.742 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -1.917 3.836 0.664 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -2.340 2.319 1.492 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -3.257 2.835 0.057 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -3.393 5.803 0.831 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -4.772 4.857 0.222 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -4.900 5.718 1.774 1.00 0.00 H new ATOM 1576 N GLY B 86 -6.899 1.571 4.018 1.00 0.00 N ATOM 1577 CA GLY B 86 -7.966 0.599 4.131 1.00 0.00 C ATOM 1578 C GLY B 86 -9.217 1.152 4.787 1.00 0.00 C ATOM 1579 O GLY B 86 -10.314 1.004 4.253 1.00 0.00 O ATOM 0 H GLY B 86 -6.028 1.299 4.474 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -8.219 0.230 3.137 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -7.610 -0.255 4.707 1.00 0.00 H new ATOM 1583 N GLU B 87 -9.056 1.797 5.938 1.00 0.00 N ATOM 1584 CA GLU B 87 -10.195 2.338 6.672 1.00 0.00 C ATOM 1585 C GLU B 87 -10.846 3.487 5.902 1.00 0.00 C ATOM 1586 O GLU B 87 -12.070 3.609 5.872 1.00 0.00 O ATOM 1587 CB GLU B 87 -9.766 2.797 8.068 1.00 0.00 C ATOM 1588 CG GLU B 87 -8.710 3.891 8.062 1.00 0.00 C ATOM 1589 CD GLU B 87 -8.257 4.268 9.452 1.00 0.00 C ATOM 1590 OE1 GLU B 87 -7.242 3.714 9.923 1.00 0.00 O ATOM 1591 OE2 GLU B 87 -8.915 5.115 10.089 1.00 0.00 O1- ATOM 0 H GLU B 87 -8.152 1.958 6.381 1.00 0.00 H new ATOM 0 HA GLU B 87 -10.935 1.545 6.783 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -10.643 3.156 8.607 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -9.382 1.939 8.619 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -7.850 3.557 7.481 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -9.109 4.773 7.562 1.00 0.00 H new ATOM 1598 N CYS B 88 -10.024 4.312 5.265 1.00 0.00 N ATOM 1599 CA CYS B 88 -10.521 5.423 4.464 1.00 0.00 C ATOM 1600 C CYS B 88 -11.335 4.903 3.286 1.00 0.00 C ATOM 1601 O CYS B 88 -12.472 5.324 3.066 1.00 0.00 O ATOM 1602 CB CYS B 88 -9.357 6.280 3.963 1.00 0.00 C ATOM 1603 SG CYS B 88 -9.849 7.624 2.829 1.00 0.00 S ATOM 0 H CYS B 88 -9.007 4.232 5.288 1.00 0.00 H new ATOM 0 HA CYS B 88 -11.166 6.040 5.090 1.00 0.00 H new ATOM 0 HB2 CYS B 88 -8.844 6.714 4.822 1.00 0.00 H new ATOM 0 HB3 CYS B 88 -8.639 5.636 3.455 1.00 0.00 H new ATOM 1608 N ILE B 89 -10.753 3.967 2.547 1.00 0.00 N ATOM 1609 CA ILE B 89 -11.412 3.381 1.390 1.00 0.00 C ATOM 1610 C ILE B 89 -12.653 2.606 1.811 1.00 0.00 C ATOM 1611 O ILE B 89 -13.694 2.689 1.163 1.00 0.00 O ATOM 1612 CB ILE B 89 -10.461 2.446 0.622 1.00 0.00 C ATOM 1613 CG1 ILE B 89 -9.284 3.240 0.056 1.00 0.00 C ATOM 1614 CG2 ILE B 89 -11.209 1.724 -0.490 1.00 0.00 C ATOM 1615 CD1 ILE B 89 -8.185 2.370 -0.505 1.00 0.00 C ATOM 0 H ILE B 89 -9.821 3.597 2.731 1.00 0.00 H new ATOM 0 HA ILE B 89 -11.705 4.200 0.733 1.00 0.00 H new ATOM 0 HB ILE B 89 -10.072 1.697 1.312 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -9.647 3.904 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -8.871 3.872 0.842 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -10.522 1.067 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -12.017 1.132 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -11.624 2.455 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -7.383 3.000 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -7.795 1.724 0.282 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -8.583 1.757 -1.313 1.00 0.00 H new ATOM 1627 N GLY B 90 -12.537 1.870 2.909 1.00 0.00 N ATOM 1628 CA GLY B 90 -13.659 1.113 3.426 1.00 0.00 C ATOM 1629 C GLY B 90 -14.863 1.989 3.701 1.00 0.00 C ATOM 1630 O GLY B 90 -16.007 1.551 3.581 1.00 0.00 O ATOM 0 H GLY B 90 -11.679 1.784 3.454 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -13.932 0.337 2.710 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -13.362 0.608 4.345 1.00 0.00 H new ATOM 1634 N LYS B 91 -14.602 3.234 4.063 1.00 0.00 N ATOM 1635 CA LYS B 91 -15.667 4.191 4.313 1.00 0.00 C ATOM 1636 C LYS B 91 -16.135 4.822 3.012 1.00 0.00 C ATOM 1637 O LYS B 91 -17.333 4.940 2.765 1.00 0.00 O ATOM 1638 CB LYS B 91 -15.205 5.284 5.273 1.00 0.00 C ATOM 1639 CG LYS B 91 -14.967 4.794 6.690 1.00 0.00 C ATOM 1640 CD LYS B 91 -14.515 5.927 7.595 1.00 0.00 C ATOM 1641 CE LYS B 91 -15.591 6.991 7.749 1.00 0.00 C ATOM 1642 NZ LYS B 91 -15.100 8.166 8.513 1.00 0.00 N1+ ATOM 0 H LYS B 91 -13.661 3.606 4.190 1.00 0.00 H new ATOM 0 HA LYS B 91 -16.497 3.651 4.768 1.00 0.00 H new ATOM 0 HB2 LYS B 91 -14.284 5.724 4.891 1.00 0.00 H new ATOM 0 HB3 LYS B 91 -15.953 6.077 5.293 1.00 0.00 H new ATOM 0 HG2 LYS B 91 -15.883 4.354 7.084 1.00 0.00 H new ATOM 0 HG3 LYS B 91 -14.213 4.007 6.684 1.00 0.00 H new ATOM 0 HD2 LYS B 91 -14.256 5.528 8.576 1.00 0.00 H new ATOM 0 HD3 LYS B 91 -13.612 6.380 7.187 1.00 0.00 H new ATOM 0 HE2 LYS B 91 -15.927 7.313 6.763 1.00 0.00 H new ATOM 0 HE3 LYS B 91 -16.455 6.563 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 -15.862 8.869 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 -14.803 7.863 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 -14.291 8.590 8.016 1.00 0.00 H new ATOM 1656 N ASP B 92 -15.183 5.201 2.170 1.00 0.00 N ATOM 1657 CA ASP B 92 -15.498 5.913 0.935 1.00 0.00 C ATOM 1658 C ASP B 92 -16.253 5.015 -0.032 1.00 0.00 C ATOM 1659 O ASP B 92 -17.229 5.435 -0.655 1.00 0.00 O ATOM 1660 CB ASP B 92 -14.230 6.441 0.270 1.00 0.00 C ATOM 1661 CG ASP B 92 -14.543 7.271 -0.957 1.00 0.00 C ATOM 1662 OD1 ASP B 92 -14.301 6.797 -2.087 1.00 0.00 O ATOM 1663 OD2 ASP B 92 -15.038 8.407 -0.795 1.00 0.00 O1- ATOM 0 H ASP B 92 -14.188 5.029 2.317 1.00 0.00 H new ATOM 0 HA ASP B 92 -16.134 6.759 1.196 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -13.669 7.045 0.984 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -13.591 5.604 -0.011 1.00 0.00 H new ATOM 1668 N PHE B 93 -15.802 3.774 -0.141 1.00 0.00 N ATOM 1669 CA PHE B 93 -16.464 2.788 -0.977 1.00 0.00 C ATOM 1670 C PHE B 93 -17.862 2.507 -0.446 1.00 0.00 C ATOM 1671 O PHE B 93 -18.807 2.302 -1.214 1.00 0.00 O ATOM 1672 CB PHE B 93 -15.642 1.500 -1.023 1.00 0.00 C ATOM 1673 CG PHE B 93 -16.301 0.382 -1.777 1.00 0.00 C ATOM 1674 CD1 PHE B 93 -16.984 -0.614 -1.100 1.00 0.00 C ATOM 1675 CD2 PHE B 93 -16.236 0.326 -3.158 1.00 0.00 C ATOM 1676 CE1 PHE B 93 -17.587 -1.647 -1.785 1.00 0.00 C ATOM 1677 CE2 PHE B 93 -16.838 -0.704 -3.849 1.00 0.00 C ATOM 1678 CZ PHE B 93 -17.512 -1.692 -3.163 1.00 0.00 C ATOM 0 H PHE B 93 -14.975 3.426 0.343 1.00 0.00 H new ATOM 0 HA PHE B 93 -16.549 3.182 -1.990 1.00 0.00 H new ATOM 0 HB2 PHE B 93 -14.676 1.714 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE B 93 -15.445 1.170 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE B 93 -17.045 -0.581 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE B 93 -15.708 1.097 -3.700 1.00 0.00 H new ATOM 0 HE1 PHE B 93 -18.116 -2.419 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE B 93 -16.782 -0.737 -4.927 1.00 0.00 H new ATOM 0 HZ PHE B 93 -17.981 -2.501 -3.703 1.00 0.00 H new ATOM 1688 N ALA B 94 -17.990 2.514 0.872 1.00 0.00 N ATOM 1689 CA ALA B 94 -19.276 2.320 1.507 1.00 0.00 C ATOM 1690 C ALA B 94 -20.218 3.455 1.142 1.00 0.00 C ATOM 1691 O ALA B 94 -21.313 3.224 0.638 1.00 0.00 O ATOM 1692 CB ALA B 94 -19.123 2.221 3.015 1.00 0.00 C ATOM 0 H ALA B 94 -17.215 2.653 1.520 1.00 0.00 H new ATOM 0 HA ALA B 94 -19.700 1.383 1.147 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -20.102 2.075 3.471 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -18.479 1.377 3.261 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -18.678 3.140 3.397 1.00 0.00 H new ATOM 1698 N GLU B 95 -19.761 4.682 1.354 1.00 0.00 N ATOM 1699 CA GLU B 95 -20.573 5.865 1.092 1.00 0.00 C ATOM 1700 C GLU B 95 -20.897 6.009 -0.393 1.00 0.00 C ATOM 1701 O GLU B 95 -21.829 6.725 -0.765 1.00 0.00 O ATOM 1702 CB GLU B 95 -19.853 7.118 1.586 1.00 0.00 C ATOM 1703 CG GLU B 95 -19.502 7.065 3.062 1.00 0.00 C ATOM 1704 CD GLU B 95 -18.790 8.311 3.545 1.00 0.00 C ATOM 1705 OE1 GLU B 95 -19.299 8.965 4.480 1.00 0.00 O ATOM 1706 OE2 GLU B 95 -17.718 8.644 2.995 1.00 0.00 O1- ATOM 0 H GLU B 95 -18.827 4.886 1.709 1.00 0.00 H new ATOM 0 HA GLU B 95 -21.512 5.746 1.632 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -18.940 7.256 1.007 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -20.483 7.988 1.400 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -20.414 6.926 3.642 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -18.870 6.197 3.249 1.00 0.00 H new ATOM 1713 N LYS B 96 -20.129 5.336 -1.244 1.00 0.00 N ATOM 1714 CA LYS B 96 -20.331 5.451 -2.675 1.00 0.00 C ATOM 1715 C LYS B 96 -21.318 4.407 -3.178 1.00 0.00 C ATOM 1716 O LYS B 96 -22.305 4.744 -3.828 1.00 0.00 O ATOM 1717 CB LYS B 96 -18.989 5.368 -3.433 1.00 0.00 C ATOM 1718 CG LYS B 96 -18.532 3.980 -3.862 1.00 0.00 C ATOM 1719 CD LYS B 96 -17.123 4.005 -4.447 1.00 0.00 C ATOM 1720 CE LYS B 96 -16.997 4.984 -5.609 1.00 0.00 C ATOM 1721 NZ LYS B 96 -17.926 4.658 -6.724 1.00 0.00 N1+ ATOM 0 H LYS B 96 -19.370 4.713 -0.967 1.00 0.00 H new ATOM 0 HA LYS B 96 -20.763 6.432 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.061 5.993 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.214 5.802 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.558 3.307 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -19.226 3.581 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.413 4.277 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.855 3.005 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.200 5.994 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -15.972 4.976 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -17.757 5.308 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -17.763 3.680 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -18.908 4.757 -6.398 1.00 0.00 H new ATOM 1735 N HIS B 97 -21.064 3.145 -2.875 1.00 0.00 N ATOM 1736 CA HIS B 97 -21.873 2.083 -3.444 1.00 0.00 C ATOM 1737 C HIS B 97 -22.731 1.364 -2.404 1.00 0.00 C ATOM 1738 O HIS B 97 -23.876 1.018 -2.686 1.00 0.00 O ATOM 1739 CB HIS B 97 -20.999 1.085 -4.192 1.00 0.00 C ATOM 1740 CG HIS B 97 -21.731 0.393 -5.306 1.00 0.00 C ATOM 1741 ND1 HIS B 97 -21.576 -0.942 -5.606 1.00 0.00 N ATOM 1742 CD2 HIS B 97 -22.627 0.873 -6.202 1.00 0.00 C ATOM 1743 CE1 HIS B 97 -22.342 -1.252 -6.636 1.00 0.00 C ATOM 1744 NE2 HIS B 97 -22.990 -0.170 -7.013 1.00 0.00 N ATOM 0 H HIS B 97 -20.319 2.836 -2.251 1.00 0.00 H new ATOM 0 HA HIS B 97 -22.560 2.558 -4.145 1.00 0.00 H new ATOM 0 HB2 HIS B 97 -20.131 1.603 -4.600 1.00 0.00 H new ATOM 0 HB3 HIS B 97 -20.625 0.339 -3.491 1.00 0.00 H new ATOM 0 HD1 HIS B 97 -20.965 -1.590 -5.110 1.00 0.00 H new ATOM 0 HD2 HIS B 97 -22.988 1.889 -6.265 1.00 0.00 H new ATOM 0 HE1 HIS B 97 -22.423 -2.228 -7.092 1.00 0.00 H new ATOM 1753 N LEU B 98 -22.179 1.124 -1.217 1.00 0.00 N ATOM 1754 CA LEU B 98 -22.914 0.401 -0.177 1.00 0.00 C ATOM 1755 C LEU B 98 -24.092 1.219 0.329 1.00 0.00 C ATOM 1756 O LEU B 98 -25.116 0.666 0.718 1.00 0.00 O ATOM 1757 CB LEU B 98 -22.013 0.050 1.008 1.00 0.00 C ATOM 1758 CG LEU B 98 -20.914 -0.980 0.735 1.00 0.00 C ATOM 1759 CD1 LEU B 98 -20.121 -1.247 2.002 1.00 0.00 C ATOM 1760 CD2 LEU B 98 -21.506 -2.278 0.212 1.00 0.00 C ATOM 0 H LEU B 98 -21.238 1.414 -0.951 1.00 0.00 H new ATOM 0 HA LEU B 98 -23.277 -0.520 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -21.543 0.966 1.366 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -22.640 -0.324 1.817 1.00 0.00 H new ATOM 0 HG LEU B 98 -20.248 -0.573 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.342 -1.981 1.796 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -19.664 -0.320 2.347 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -20.787 -1.632 2.774 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -20.705 -2.994 0.026 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -22.194 -2.688 0.951 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -22.043 -2.085 -0.716 1.00 0.00 H new ATOM 1772 N ILE B 99 -23.940 2.531 0.322 1.00 0.00 N ATOM 1773 CA ILE B 99 -25.005 3.417 0.743 1.00 0.00 C ATOM 1774 C ILE B 99 -26.026 3.582 -0.380 1.00 0.00 C ATOM 1775 O ILE B 99 -25.730 4.161 -1.426 1.00 0.00 O ATOM 1776 CB ILE B 99 -24.455 4.790 1.184 1.00 0.00 C ATOM 1777 CG1 ILE B 99 -23.564 4.627 2.420 1.00 0.00 C ATOM 1778 CG2 ILE B 99 -25.585 5.765 1.474 1.00 0.00 C ATOM 1779 CD1 ILE B 99 -24.219 3.879 3.565 1.00 0.00 C ATOM 0 H ILE B 99 -23.086 3.005 0.028 1.00 0.00 H new ATOM 0 HA ILE B 99 -25.498 2.968 1.605 1.00 0.00 H new ATOM 0 HB ILE B 99 -23.860 5.197 0.367 1.00 0.00 H new ATOM 0 HG12 ILE B 99 -22.654 4.101 2.131 1.00 0.00 H new ATOM 0 HG13 ILE B 99 -23.264 5.615 2.770 1.00 0.00 H new ATOM 0 HG21 ILE B 99 -25.168 6.724 1.782 1.00 0.00 H new ATOM 0 HG22 ILE B 99 -26.186 5.903 0.575 1.00 0.00 H new ATOM 0 HG23 ILE B 99 -26.212 5.368 2.272 1.00 0.00 H new ATOM 0 HD11 ILE B 99 -23.521 3.808 4.399 1.00 0.00 H new ATOM 0 HD12 ILE B 99 -25.113 4.414 3.885 1.00 0.00 H new ATOM 0 HD13 ILE B 99 -24.494 2.877 3.235 1.00 0.00 H new ATOM 1791 N PRO B 100 -27.241 3.054 -0.174 1.00 0.00 N ATOM 1792 CA PRO B 100 -28.320 3.107 -1.169 1.00 0.00 C ATOM 1793 C PRO B 100 -28.972 4.481 -1.232 1.00 0.00 C ATOM 1794 O PRO B 100 -29.896 4.716 -2.009 1.00 0.00 O ATOM 1795 CB PRO B 100 -29.315 2.076 -0.641 1.00 0.00 C ATOM 1796 CG PRO B 100 -29.135 2.127 0.837 1.00 0.00 C ATOM 1797 CD PRO B 100 -27.663 2.351 1.055 1.00 0.00 C ATOM 0 HA PRO B 100 -27.964 2.910 -2.180 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -30.337 2.324 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -29.106 1.081 -1.035 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -29.724 2.932 1.277 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -29.464 1.199 1.305 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -27.475 2.950 1.946 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -27.128 1.410 1.184 1.00 0.00 H new ATOM 1805 N LYS B 101 -28.488 5.376 -0.389 1.00 0.00 N ATOM 1806 CA LYS B 101 -29.023 6.718 -0.295 1.00 0.00 C ATOM 1807 C LYS B 101 -28.151 7.678 -1.090 1.00 0.00 C ATOM 1808 O LYS B 101 -28.498 7.972 -2.252 1.00 0.00 O ATOM 1809 CB LYS B 101 -29.099 7.149 1.170 1.00 0.00 C ATOM 1810 CG LYS B 101 -29.873 6.175 2.045 1.00 0.00 C ATOM 1811 CD LYS B 101 -30.022 6.696 3.463 1.00 0.00 C ATOM 1812 CE LYS B 101 -30.899 5.784 4.306 1.00 0.00 C ATOM 1813 NZ LYS B 101 -30.279 4.453 4.530 1.00 0.00 N1+ ATOM 1814 OXT LYS B 101 -27.102 8.107 -0.565 1.00 0.00 O ATOM 0 H LYS B 101 -27.713 5.191 0.248 1.00 0.00 H new ATOM 0 HA LYS B 101 -30.030 6.734 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS B 101 -28.088 7.255 1.563 1.00 0.00 H new ATOM 0 HB3 LYS B 101 -29.568 8.131 1.229 1.00 0.00 H new ATOM 0 HG2 LYS B 101 -30.859 6.003 1.614 1.00 0.00 H new ATOM 0 HG3 LYS B 101 -29.360 5.213 2.062 1.00 0.00 H new ATOM 0 HD2 LYS B 101 -29.038 6.783 3.924 1.00 0.00 H new ATOM 0 HD3 LYS B 101 -30.453 7.697 3.440 1.00 0.00 H new ATOM 0 HE2 LYS B 101 -31.093 6.258 5.268 1.00 0.00 H new ATOM 0 HE3 LYS B 101 -31.863 5.655 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 -30.882 3.892 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 -30.179 3.959 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 -29.341 4.575 4.962 1.00 0.00 H new TER 1828 LYS B 101