USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1100 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 SER OG : rot -137:sc= 1.49 USER MOD Set 1.2: A 96 TYR OH : rot -14:sc= 0.684 USER MOD Set 1.3: A 119 TYR OH : rot -61:sc= -1.13! USER MOD Set 2.1: A 116 LYS NZ :NH3+ -108:sc= 0.704 (180deg=1.1) USER MOD Set 2.2: A 118 TYR OH : rot 6:sc= 1.06 USER MOD Set 3.1: A 33 LYS NZ :NH3+ -130:sc= -0.392 (180deg=0) USER MOD Set 3.2: A 115 GLN :FLIP amide:sc= -1.38 F(o=-3.8!,f=-1.8) USER MOD Set 4.1: A 8 GLN : amide:sc= -0.692! C(o=-0.8!,f=-3.9!) USER MOD Set 4.2: A 57 ASN : amide:sc= -0.111 X(o=-0.8,f=-0.85) USER MOD Set 5.1: A 48 ASN : amide:sc= -0.395 K(o=-0.49,f=-5.3!) USER MOD Set 5.2: A 50 HIS : no HD1:sc= -0.0993 X(o=-0.49,f=-0.27) USER MOD Set 6.1: A 40 TYR OH : rot 82:sc= 0.228 USER MOD Set 6.2: A 110 THR OG1 : rot 66:sc= 0.00083 USER MOD Set 7.1: A 38 SER OG : rot -90:sc= 1.21 USER MOD Set 7.2: A 39 HIS : no HD1:sc= 0.572 K(o=1.8,f=-9.2!) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -0.0198 (180deg=-0.201) USER MOD Single : A 14 GLN :FLIP amide:sc=-0.00872 F(o=-1.1,f=-0.0087) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.369 K(o=0.37,f=-6.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 150:sc= 0.849 USER MOD Single : A 30 SER OG : rot 67:sc= 1.3 USER MOD Single : A 35 HIS : no HD1:sc= 0.971 K(o=0.97,f=-4.2!) USER MOD Single : A 36 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.678 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -20:sc= 0.521 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.71) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 0.233 (180deg=-0.019) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= -0.0775 (180deg=-0.335) USER MOD Single : A 66 ASN : amide:sc= 0.0195 K(o=0.02,f=-5.2!) USER MOD Single : A 69 SER OG : rot -47:sc= 0.903 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 2.17 (180deg=2) USER MOD Single : A 73 SER OG : rot 180:sc= 0.21 USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= 0.956 (180deg=0.871) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 81 THR OG1 : rot -81:sc= 0.397 USER MOD Single : A 82 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 85 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.11) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1) USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0.502 K(o=0.5,f=-3.1) USER MOD Single : A 113 HIS : no HD1:sc=-0.00867 X(o=-0.0087,f=-0.0087) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 64:sc= 0.315 USER MOD Single : A 124 ASN : amide:sc= -0.0902 K(o=-0.09,f=-1.5!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -103:sc= -0.192 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= -0.178 F(o=-1.3,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -5.265 15.541 -15.262 1.00 0.00 N ATOM 2 CA ASP A 7 -5.929 14.279 -14.961 1.00 0.00 C ATOM 3 C ASP A 7 -5.819 13.959 -13.479 1.00 0.00 C ATOM 4 O ASP A 7 -4.731 14.015 -12.908 1.00 0.00 O ATOM 5 CB ASP A 7 -5.324 13.123 -15.760 1.00 0.00 C ATOM 6 CG ASP A 7 -5.726 13.115 -17.219 1.00 0.00 C ATOM 7 OD1 ASP A 7 -6.802 12.571 -17.535 1.00 0.00 O ATOM 8 OD2 ASP A 7 -4.948 13.615 -18.059 1.00 0.00 O ATOM 0 HA ASP A 7 -6.976 14.393 -15.240 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.237 13.176 -15.692 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.627 12.180 -15.304 1.00 0.00 H new ATOM 13 N GLN A 8 -6.944 13.611 -12.868 1.00 0.00 N ATOM 14 CA GLN A 8 -6.975 13.222 -11.459 1.00 0.00 C ATOM 15 C GLN A 8 -5.990 12.085 -11.196 1.00 0.00 C ATOM 16 O GLN A 8 -5.369 12.014 -10.135 1.00 0.00 O ATOM 17 CB GLN A 8 -8.393 12.800 -11.069 1.00 0.00 C ATOM 18 CG GLN A 8 -8.538 12.369 -9.616 1.00 0.00 C ATOM 19 CD GLN A 8 -9.978 12.087 -9.234 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.257 11.224 -8.405 1.00 0.00 O ATOM 21 NE2 GLN A 8 -10.902 12.836 -9.817 1.00 0.00 N ATOM 0 H GLN A 8 -7.854 13.589 -13.328 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.680 14.077 -10.851 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.073 13.631 -11.260 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.706 11.978 -11.713 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.938 11.475 -9.444 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.140 13.149 -8.968 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.629 13.542 -10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.886 12.707 -9.582 1.00 0.00 H new ATOM 30 N VAL A 9 -5.842 11.217 -12.190 1.00 0.00 N ATOM 31 CA VAL A 9 -4.912 10.099 -12.118 1.00 0.00 C ATOM 32 C VAL A 9 -3.485 10.588 -11.867 1.00 0.00 C ATOM 33 O VAL A 9 -2.758 10.013 -11.062 1.00 0.00 O ATOM 34 CB VAL A 9 -4.947 9.271 -13.423 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.981 8.099 -13.355 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.359 8.786 -13.715 1.00 0.00 C ATOM 0 H VAL A 9 -6.362 11.269 -13.066 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.222 9.469 -11.285 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.631 9.920 -14.239 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.027 7.535 -14.286 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.967 8.471 -13.206 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.255 7.450 -12.524 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.361 8.206 -14.638 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.706 8.161 -12.892 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.023 9.644 -13.825 1.00 0.00 H new ATOM 46 N VAL A 10 -3.108 11.672 -12.535 1.00 0.00 N ATOM 47 CA VAL A 10 -1.752 12.199 -12.447 1.00 0.00 C ATOM 48 C VAL A 10 -1.417 12.640 -11.027 1.00 0.00 C ATOM 49 O VAL A 10 -0.365 12.288 -10.496 1.00 0.00 O ATOM 50 CB VAL A 10 -1.548 13.385 -13.415 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.149 13.966 -13.289 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.807 12.947 -14.844 1.00 0.00 C ATOM 0 H VAL A 10 -3.726 12.205 -13.146 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.079 11.390 -12.731 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.261 14.164 -13.147 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.037 14.799 -13.983 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.008 14.319 -12.270 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.587 13.197 -13.523 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.660 13.792 -15.516 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.116 12.147 -15.110 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.832 12.586 -14.934 1.00 0.00 H new ATOM 62 N ILE A 11 -2.321 13.397 -10.414 1.00 0.00 N ATOM 63 CA ILE A 11 -2.111 13.896 -9.060 1.00 0.00 C ATOM 64 C ILE A 11 -1.861 12.741 -8.092 1.00 0.00 C ATOM 65 O ILE A 11 -0.839 12.710 -7.407 1.00 0.00 O ATOM 66 CB ILE A 11 -3.306 14.748 -8.552 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.368 16.104 -9.268 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.213 14.965 -7.049 1.00 0.00 C ATOM 69 CD1 ILE A 11 -3.837 16.032 -10.704 1.00 0.00 C ATOM 0 H ILE A 11 -3.207 13.679 -10.834 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.232 14.540 -9.098 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.219 14.196 -8.776 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.035 16.764 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.378 16.559 -9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.060 15.564 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.227 14.001 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.285 15.486 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.851 17.034 -11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.158 15.401 -11.277 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.841 15.609 -10.738 1.00 0.00 H new ATOM 81 N PHE A 12 -2.776 11.781 -8.069 1.00 0.00 N ATOM 82 CA PHE A 12 -2.674 10.652 -7.151 1.00 0.00 C ATOM 83 C PHE A 12 -1.458 9.784 -7.466 1.00 0.00 C ATOM 84 O PHE A 12 -0.733 9.364 -6.566 1.00 0.00 O ATOM 85 CB PHE A 12 -3.952 9.806 -7.192 1.00 0.00 C ATOM 86 CG PHE A 12 -5.114 10.436 -6.477 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.877 11.416 -7.086 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.435 10.046 -5.188 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.943 11.996 -6.424 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.496 10.621 -4.519 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.251 11.598 -5.139 1.00 0.00 C ATOM 0 H PHE A 12 -3.597 11.760 -8.674 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.549 11.056 -6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.228 9.630 -8.232 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.747 8.832 -6.747 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.637 11.732 -8.091 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.848 9.282 -4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.533 12.758 -6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.736 10.308 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.082 12.050 -4.618 1.00 0.00 H new ATOM 101 N LYS A 13 -1.232 9.532 -8.750 1.00 0.00 N ATOM 102 CA LYS A 13 -0.131 8.684 -9.180 1.00 0.00 C ATOM 103 C LYS A 13 1.215 9.293 -8.806 1.00 0.00 C ATOM 104 O LYS A 13 2.122 8.580 -8.383 1.00 0.00 O ATOM 105 CB LYS A 13 -0.212 8.434 -10.685 1.00 0.00 C ATOM 106 CG LYS A 13 0.937 7.615 -11.237 1.00 0.00 C ATOM 107 CD LYS A 13 0.677 7.187 -12.669 1.00 0.00 C ATOM 108 CE LYS A 13 1.942 6.673 -13.331 1.00 0.00 C ATOM 109 NZ LYS A 13 2.904 7.775 -13.602 1.00 0.00 N ATOM 0 H LYS A 13 -1.799 9.905 -9.512 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.217 7.729 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.149 7.923 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.241 9.394 -11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.856 8.199 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.089 6.733 -10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.086 6.409 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.284 8.030 -13.237 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.412 5.928 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.687 6.173 -14.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.601 7.462 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.390 8.603 -13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.395 8.032 -12.722 1.00 0.00 H new ATOM 123 N GLN A 14 1.337 10.608 -8.948 1.00 0.00 N ATOM 124 CA GLN A 14 2.572 11.302 -8.598 1.00 0.00 C ATOM 125 C GLN A 14 2.845 11.221 -7.100 1.00 0.00 C ATOM 126 O GLN A 14 3.999 11.170 -6.676 1.00 0.00 O ATOM 127 CB GLN A 14 2.518 12.762 -9.048 1.00 0.00 C ATOM 128 CG GLN A 14 2.719 12.941 -10.543 1.00 0.00 C ATOM 129 CD GLN A 14 2.620 14.387 -10.981 1.00 0.00 C ATOM 130 OE1 GLN A 14 1.795 15.163 -10.296 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 3.276 14.802 -11.938 1.00 0.00 N flip ATOM 0 H GLN A 14 0.597 11.215 -9.302 1.00 0.00 H new ATOM 0 HA GLN A 14 3.390 10.806 -9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.555 13.186 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.283 13.327 -8.516 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.696 12.548 -10.823 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.974 12.353 -11.078 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.901 14.171 -12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.194 15.776 -12.228 1.00 0.00 H new ATOM 140 N ILE A 15 1.782 11.200 -6.304 1.00 0.00 N ATOM 141 CA ILE A 15 1.920 11.066 -4.860 1.00 0.00 C ATOM 142 C ILE A 15 2.565 9.727 -4.513 1.00 0.00 C ATOM 143 O ILE A 15 3.603 9.681 -3.858 1.00 0.00 O ATOM 144 CB ILE A 15 0.557 11.185 -4.138 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.085 12.545 -4.435 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.728 10.996 -2.636 1.00 0.00 C ATOM 147 CD1 ILE A 15 -1.464 12.715 -3.829 1.00 0.00 C ATOM 0 H ILE A 15 0.819 11.274 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 15 2.557 11.882 -4.518 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.101 10.400 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.567 13.334 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.154 12.676 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.242 11.083 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.147 10.009 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.401 11.760 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.854 13.701 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.132 11.949 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.400 12.617 -2.745 1.00 0.00 H new ATOM 159 N PHE A 16 1.957 8.642 -4.983 1.00 0.00 N ATOM 160 CA PHE A 16 2.461 7.298 -4.704 1.00 0.00 C ATOM 161 C PHE A 16 3.833 7.076 -5.342 1.00 0.00 C ATOM 162 O PHE A 16 4.707 6.437 -4.750 1.00 0.00 O ATOM 163 CB PHE A 16 1.477 6.237 -5.206 1.00 0.00 C ATOM 164 CG PHE A 16 0.214 6.141 -4.397 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.858 6.977 -4.659 1.00 0.00 C ATOM 166 CD2 PHE A 16 0.100 5.212 -3.375 1.00 0.00 C ATOM 167 CE1 PHE A 16 -2.021 6.890 -3.920 1.00 0.00 C ATOM 168 CE2 PHE A 16 -1.061 5.119 -2.631 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.123 5.960 -2.904 1.00 0.00 C ATOM 0 H PHE A 16 1.115 8.665 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 16 2.565 7.204 -3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.217 6.459 -6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.973 5.266 -5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.784 7.707 -5.452 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.928 4.553 -3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.850 7.548 -4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.138 4.390 -1.838 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.031 5.890 -2.324 1.00 0.00 H new ATOM 179 N ASP A 17 4.015 7.616 -6.543 1.00 0.00 N ATOM 180 CA ASP A 17 5.258 7.448 -7.299 1.00 0.00 C ATOM 181 C ASP A 17 6.451 8.045 -6.562 1.00 0.00 C ATOM 182 O ASP A 17 7.526 7.447 -6.516 1.00 0.00 O ATOM 183 CB ASP A 17 5.116 8.092 -8.680 1.00 0.00 C ATOM 184 CG ASP A 17 6.398 8.062 -9.491 1.00 0.00 C ATOM 185 OD1 ASP A 17 6.726 7.002 -10.064 1.00 0.00 O ATOM 186 OD2 ASP A 17 7.071 9.106 -9.579 1.00 0.00 O ATOM 0 H ASP A 17 3.311 8.180 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 17 5.441 6.379 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.331 7.577 -9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.795 9.127 -8.559 1.00 0.00 H new ATOM 191 N LYS A 18 6.260 9.211 -5.967 1.00 0.00 N ATOM 192 CA LYS A 18 7.356 9.894 -5.297 1.00 0.00 C ATOM 193 C LYS A 18 7.453 9.524 -3.819 1.00 0.00 C ATOM 194 O LYS A 18 8.549 9.502 -3.256 1.00 0.00 O ATOM 195 CB LYS A 18 7.231 11.408 -5.466 1.00 0.00 C ATOM 196 CG LYS A 18 7.539 11.868 -6.880 1.00 0.00 C ATOM 197 CD LYS A 18 7.512 13.381 -7.003 1.00 0.00 C ATOM 198 CE LYS A 18 8.039 13.828 -8.357 1.00 0.00 C ATOM 199 NZ LYS A 18 8.031 15.307 -8.503 1.00 0.00 N ATOM 0 H LYS A 18 5.366 9.701 -5.934 1.00 0.00 H new ATOM 0 HA LYS A 18 8.279 9.561 -5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.220 11.717 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.909 11.904 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.520 11.497 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.813 11.435 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.492 13.742 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.114 13.825 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.055 13.457 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.432 13.384 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.398 15.565 -9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.058 15.660 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.631 15.732 -7.767 1.00 0.00 H new ATOM 213 N VAL A 19 6.325 9.211 -3.185 1.00 0.00 N ATOM 214 CA VAL A 19 6.332 8.885 -1.760 1.00 0.00 C ATOM 215 C VAL A 19 7.081 7.579 -1.501 1.00 0.00 C ATOM 216 O VAL A 19 7.666 7.393 -0.435 1.00 0.00 O ATOM 217 CB VAL A 19 4.905 8.793 -1.163 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.183 7.537 -1.631 1.00 0.00 C ATOM 219 CG2 VAL A 19 4.953 8.856 0.357 1.00 0.00 C ATOM 0 H VAL A 19 5.407 9.176 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 19 6.849 9.705 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 19 4.339 9.651 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.186 7.506 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.101 7.548 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.744 6.657 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.941 8.790 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.548 8.025 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.405 9.798 0.668 1.00 0.00 H new ATOM 229 N ARG A 20 7.090 6.692 -2.494 1.00 0.00 N ATOM 230 CA ARG A 20 7.770 5.407 -2.363 1.00 0.00 C ATOM 231 C ARG A 20 9.287 5.580 -2.402 1.00 0.00 C ATOM 232 O ARG A 20 10.036 4.633 -2.163 1.00 0.00 O ATOM 233 CB ARG A 20 7.313 4.433 -3.458 1.00 0.00 C ATOM 234 CG ARG A 20 7.615 4.898 -4.873 1.00 0.00 C ATOM 235 CD ARG A 20 7.090 3.909 -5.905 1.00 0.00 C ATOM 236 NE ARG A 20 7.334 4.352 -7.279 1.00 0.00 N ATOM 237 CZ ARG A 20 6.840 3.742 -8.358 1.00 0.00 C ATOM 238 NH1 ARG A 20 6.071 2.667 -8.229 1.00 0.00 N ATOM 239 NH2 ARG A 20 7.112 4.216 -9.563 1.00 0.00 N ATOM 0 H ARG A 20 6.635 6.840 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 20 7.501 4.987 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.794 3.469 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.239 4.274 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.163 5.876 -5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.691 5.019 -4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.564 2.940 -5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.019 3.768 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 20 7.917 5.177 -7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.855 2.303 -7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.697 2.205 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.698 5.045 -9.665 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.736 3.752 -10.390 1.00 0.00 H new ATOM 253 N ASN A 21 9.730 6.794 -2.701 1.00 0.00 N ATOM 254 CA ASN A 21 11.150 7.107 -2.735 1.00 0.00 C ATOM 255 C ASN A 21 11.503 8.122 -1.656 1.00 0.00 C ATOM 256 O ASN A 21 12.472 7.949 -0.918 1.00 0.00 O ATOM 257 CB ASN A 21 11.537 7.667 -4.104 1.00 0.00 C ATOM 258 CG ASN A 21 13.016 7.994 -4.202 1.00 0.00 C ATOM 259 OD1 ASN A 21 13.832 7.135 -4.532 1.00 0.00 O ATOM 260 ND2 ASN A 21 13.369 9.242 -3.935 1.00 0.00 N ATOM 0 H ASN A 21 9.121 7.581 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 21 11.703 6.186 -2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.277 6.943 -4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.955 8.567 -4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.348 9.520 -4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.662 9.925 -3.664 1.00 0.00 H new ATOM 267 N ASP A 22 10.704 9.181 -1.568 1.00 0.00 N ATOM 268 CA ASP A 22 10.993 10.286 -0.656 1.00 0.00 C ATOM 269 C ASP A 22 10.617 9.935 0.780 1.00 0.00 C ATOM 270 O ASP A 22 11.179 10.484 1.729 1.00 0.00 O ATOM 271 CB ASP A 22 10.254 11.549 -1.103 1.00 0.00 C ATOM 272 CG ASP A 22 10.654 12.775 -0.303 1.00 0.00 C ATOM 273 OD1 ASP A 22 11.846 13.150 -0.342 1.00 0.00 O ATOM 274 OD2 ASP A 22 9.775 13.382 0.338 1.00 0.00 O ATOM 0 H ASP A 22 9.852 9.299 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 22 12.067 10.472 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.455 11.728 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.180 11.391 -1.005 1.00 0.00 H new ATOM 279 N LEU A 23 9.664 9.014 0.926 1.00 0.00 N ATOM 280 CA LEU A 23 9.243 8.506 2.236 1.00 0.00 C ATOM 281 C LEU A 23 8.561 9.581 3.082 1.00 0.00 C ATOM 282 O LEU A 23 8.538 9.494 4.310 1.00 0.00 O ATOM 283 CB LEU A 23 10.438 7.916 2.997 1.00 0.00 C ATOM 284 CG LEU A 23 11.050 6.661 2.370 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.251 6.191 3.172 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.011 5.555 2.276 1.00 0.00 C ATOM 0 H LEU A 23 9.161 8.598 0.142 1.00 0.00 H new ATOM 0 HA LEU A 23 8.511 7.720 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.212 8.679 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.121 7.679 4.013 1.00 0.00 H new ATOM 0 HG LEU A 23 11.386 6.910 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.671 5.298 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.005 6.978 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.940 5.960 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.462 4.669 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.647 5.312 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.178 5.890 1.658 1.00 0.00 H new ATOM 298 N ASN A 24 7.982 10.577 2.425 1.00 0.00 N ATOM 299 CA ASN A 24 7.253 11.622 3.134 1.00 0.00 C ATOM 300 C ASN A 24 5.844 11.139 3.463 1.00 0.00 C ATOM 301 O ASN A 24 4.898 11.380 2.713 1.00 0.00 O ATOM 302 CB ASN A 24 7.203 12.912 2.303 1.00 0.00 C ATOM 303 CG ASN A 24 6.651 14.102 3.075 1.00 0.00 C ATOM 304 OD1 ASN A 24 5.783 13.964 3.941 1.00 0.00 O ATOM 305 ND2 ASN A 24 7.156 15.285 2.769 1.00 0.00 N ATOM 0 H ASN A 24 8.002 10.684 1.411 1.00 0.00 H new ATOM 0 HA ASN A 24 7.776 11.843 4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.207 13.149 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.588 12.744 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.829 16.120 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.873 15.362 2.047 1.00 0.00 H new ATOM 312 N TYR A 25 5.719 10.427 4.577 1.00 0.00 N ATOM 313 CA TYR A 25 4.435 9.875 4.995 1.00 0.00 C ATOM 314 C TYR A 25 3.515 10.957 5.544 1.00 0.00 C ATOM 315 O TYR A 25 2.293 10.821 5.497 1.00 0.00 O ATOM 316 CB TYR A 25 4.637 8.780 6.047 1.00 0.00 C ATOM 317 CG TYR A 25 5.337 7.547 5.521 1.00 0.00 C ATOM 318 CD1 TYR A 25 4.666 6.633 4.720 1.00 0.00 C ATOM 319 CD2 TYR A 25 6.667 7.295 5.832 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.301 5.504 4.241 1.00 0.00 C ATOM 321 CE2 TYR A 25 7.309 6.169 5.357 1.00 0.00 C ATOM 322 CZ TYR A 25 6.623 5.276 4.562 1.00 0.00 C ATOM 323 OH TYR A 25 7.259 4.153 4.089 1.00 0.00 O ATOM 0 H TYR A 25 6.492 10.218 5.208 1.00 0.00 H new ATOM 0 HA TYR A 25 3.962 9.442 4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.215 9.188 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.665 8.491 6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.631 6.808 4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.208 7.991 6.456 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.765 4.803 3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.344 5.989 5.607 1.00 0.00 H new ATOM 0 HH TYR A 25 8.186 4.144 4.406 1.00 0.00 H new ATOM 333 N GLN A 26 4.103 12.038 6.046 1.00 0.00 N ATOM 334 CA GLN A 26 3.327 13.130 6.622 1.00 0.00 C ATOM 335 C GLN A 26 2.389 13.727 5.577 1.00 0.00 C ATOM 336 O GLN A 26 1.174 13.772 5.774 1.00 0.00 O ATOM 337 CB GLN A 26 4.246 14.218 7.183 1.00 0.00 C ATOM 338 CG GLN A 26 5.067 13.769 8.382 1.00 0.00 C ATOM 339 CD GLN A 26 5.894 14.896 8.979 1.00 0.00 C ATOM 340 OE1 GLN A 26 7.046 15.110 8.600 1.00 0.00 O ATOM 341 NE2 GLN A 26 5.309 15.624 9.917 1.00 0.00 N ATOM 0 H GLN A 26 5.113 12.181 6.066 1.00 0.00 H new ATOM 0 HA GLN A 26 2.733 12.725 7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.922 14.551 6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.642 15.079 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.400 13.369 9.145 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.729 12.957 8.081 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.353 15.414 10.203 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.815 16.395 10.354 1.00 0.00 H new ATOM 350 N TRP A 27 2.958 14.161 4.461 1.00 0.00 N ATOM 351 CA TRP A 27 2.176 14.740 3.380 1.00 0.00 C ATOM 352 C TRP A 27 1.293 13.677 2.731 1.00 0.00 C ATOM 353 O TRP A 27 0.138 13.939 2.387 1.00 0.00 O ATOM 354 CB TRP A 27 3.107 15.380 2.340 1.00 0.00 C ATOM 355 CG TRP A 27 2.381 15.966 1.168 1.00 0.00 C ATOM 356 CD1 TRP A 27 1.549 17.048 1.172 1.00 0.00 C ATOM 357 CD2 TRP A 27 2.428 15.503 -0.188 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.069 17.280 -0.093 1.00 0.00 N ATOM 359 CE2 TRP A 27 1.597 16.345 -0.946 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.095 14.456 -0.830 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.412 16.171 -2.317 1.00 0.00 C ATOM 362 CZ3 TRP A 27 2.913 14.285 -2.190 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.077 15.139 -2.918 1.00 0.00 C ATOM 0 H TRP A 27 3.961 14.122 4.281 1.00 0.00 H new ATOM 0 HA TRP A 27 1.529 15.515 3.791 1.00 0.00 H new ATOM 0 HB2 TRP A 27 3.694 16.162 2.822 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.811 14.628 1.982 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.304 17.636 2.044 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.425 18.026 -0.356 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.741 13.793 -0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.767 16.827 -2.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.424 13.480 -2.698 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.954 14.979 -3.979 1.00 0.00 H new ATOM 374 N PHE A 28 1.839 12.471 2.605 1.00 0.00 N ATOM 375 CA PHE A 28 1.133 11.350 1.991 1.00 0.00 C ATOM 376 C PHE A 28 -0.219 11.104 2.663 1.00 0.00 C ATOM 377 O PHE A 28 -1.265 11.142 2.010 1.00 0.00 O ATOM 378 CB PHE A 28 2.002 10.090 2.080 1.00 0.00 C ATOM 379 CG PHE A 28 1.377 8.858 1.481 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.031 8.821 0.142 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.156 7.731 2.258 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.473 7.686 -0.414 1.00 0.00 C ATOM 383 CE2 PHE A 28 0.596 6.593 1.710 1.00 0.00 C ATOM 384 CZ PHE A 28 0.254 6.571 0.372 1.00 0.00 C ATOM 0 H PHE A 28 2.781 12.243 2.924 1.00 0.00 H new ATOM 0 HA PHE A 28 0.943 11.595 0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.950 10.282 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.230 9.894 3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.199 9.690 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.425 7.743 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.208 7.670 -1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.426 5.723 2.326 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.184 5.683 -0.059 1.00 0.00 H new ATOM 394 N TYR A 29 -0.200 10.877 3.973 1.00 0.00 N ATOM 395 CA TYR A 29 -1.420 10.546 4.703 1.00 0.00 C ATOM 396 C TYR A 29 -2.311 11.769 4.914 1.00 0.00 C ATOM 397 O TYR A 29 -3.515 11.631 5.140 1.00 0.00 O ATOM 398 CB TYR A 29 -1.085 9.872 6.039 1.00 0.00 C ATOM 399 CG TYR A 29 -0.648 8.431 5.879 1.00 0.00 C ATOM 400 CD1 TYR A 29 -1.574 7.441 5.575 1.00 0.00 C ATOM 401 CD2 TYR A 29 0.684 8.059 6.020 1.00 0.00 C ATOM 402 CE1 TYR A 29 -1.188 6.125 5.412 1.00 0.00 C ATOM 403 CE2 TYR A 29 1.080 6.743 5.860 1.00 0.00 C ATOM 404 CZ TYR A 29 0.140 5.780 5.554 1.00 0.00 C ATOM 405 OH TYR A 29 0.528 4.466 5.383 1.00 0.00 O ATOM 0 H TYR A 29 0.641 10.916 4.548 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.985 9.841 4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.293 10.434 6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.959 9.911 6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.615 7.705 5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.422 8.810 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.922 5.370 5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.119 6.471 5.974 1.00 0.00 H new ATOM 0 HH TYR A 29 1.447 4.438 5.043 1.00 0.00 H new ATOM 415 N SER A 30 -1.733 12.961 4.822 1.00 0.00 N ATOM 416 CA SER A 30 -2.513 14.188 4.943 1.00 0.00 C ATOM 417 C SER A 30 -3.392 14.380 3.710 1.00 0.00 C ATOM 418 O SER A 30 -4.565 14.739 3.823 1.00 0.00 O ATOM 419 CB SER A 30 -1.601 15.400 5.153 1.00 0.00 C ATOM 420 OG SER A 30 -0.907 15.298 6.385 1.00 0.00 O ATOM 0 H SER A 30 -0.735 13.104 4.665 1.00 0.00 H new ATOM 0 HA SER A 30 -3.157 14.099 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.887 15.470 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.194 16.314 5.139 1.00 0.00 H new ATOM 0 HG SER A 30 -0.280 14.546 6.346 1.00 0.00 H new ATOM 426 N GLU A 31 -2.831 14.121 2.533 1.00 0.00 N ATOM 427 CA GLU A 31 -3.609 14.171 1.301 1.00 0.00 C ATOM 428 C GLU A 31 -4.633 13.050 1.286 1.00 0.00 C ATOM 429 O GLU A 31 -5.768 13.236 0.843 1.00 0.00 O ATOM 430 CB GLU A 31 -2.710 14.069 0.067 1.00 0.00 C ATOM 431 CG GLU A 31 -1.959 15.349 -0.252 1.00 0.00 C ATOM 432 CD GLU A 31 -2.889 16.523 -0.477 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.628 16.524 -1.483 1.00 0.00 O ATOM 434 OE2 GLU A 31 -2.895 17.446 0.360 1.00 0.00 O ATOM 0 H GLU A 31 -1.849 13.876 2.407 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.121 15.133 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.990 13.265 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.320 13.793 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.277 15.581 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.349 15.197 -1.142 1.00 0.00 H new ATOM 441 N LEU A 32 -4.235 11.886 1.785 1.00 0.00 N ATOM 442 CA LEU A 32 -5.125 10.737 1.838 1.00 0.00 C ATOM 443 C LEU A 32 -6.385 11.051 2.634 1.00 0.00 C ATOM 444 O LEU A 32 -7.483 10.782 2.175 1.00 0.00 O ATOM 445 CB LEU A 32 -4.419 9.518 2.431 1.00 0.00 C ATOM 446 CG LEU A 32 -3.334 8.898 1.548 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.747 7.667 2.219 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.892 8.546 0.174 1.00 0.00 C ATOM 0 H LEU A 32 -3.301 11.715 2.158 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.414 10.504 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.970 9.805 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.167 8.756 2.649 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.539 9.631 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.977 7.237 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.308 7.949 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.535 6.932 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.104 8.107 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.707 7.830 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.265 9.449 -0.309 1.00 0.00 H new ATOM 460 N LYS A 33 -6.231 11.656 3.805 1.00 0.00 N ATOM 461 CA LYS A 33 -7.381 11.954 4.657 1.00 0.00 C ATOM 462 C LYS A 33 -8.213 13.107 4.080 1.00 0.00 C ATOM 463 O LYS A 33 -9.356 13.329 4.488 1.00 0.00 O ATOM 464 CB LYS A 33 -6.923 12.271 6.090 1.00 0.00 C ATOM 465 CG LYS A 33 -8.071 12.512 7.060 1.00 0.00 C ATOM 466 CD LYS A 33 -7.605 12.570 8.509 1.00 0.00 C ATOM 467 CE LYS A 33 -7.114 11.215 8.996 1.00 0.00 C ATOM 468 NZ LYS A 33 -6.813 11.219 10.454 1.00 0.00 N ATOM 0 H LYS A 33 -5.331 11.949 4.186 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.017 11.070 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.315 11.445 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.284 13.154 6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.569 13.447 6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.809 11.717 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.804 13.303 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.425 12.909 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.870 10.459 8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.218 10.934 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.867 10.817 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.840 12.195 10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.522 10.647 10.956 1.00 0.00 H new ATOM 482 N ARG A 34 -7.652 13.835 3.124 1.00 0.00 N ATOM 483 CA ARG A 34 -8.374 14.937 2.498 1.00 0.00 C ATOM 484 C ARG A 34 -8.958 14.531 1.149 1.00 0.00 C ATOM 485 O ARG A 34 -9.657 15.314 0.509 1.00 0.00 O ATOM 486 CB ARG A 34 -7.476 16.165 2.330 1.00 0.00 C ATOM 487 CG ARG A 34 -6.969 16.729 3.645 1.00 0.00 C ATOM 488 CD ARG A 34 -6.526 18.179 3.511 1.00 0.00 C ATOM 489 NE ARG A 34 -5.414 18.349 2.572 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.875 19.535 2.271 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.336 20.644 2.841 1.00 0.00 N ATOM 492 NH2 ARG A 34 -3.874 19.609 1.404 1.00 0.00 N ATOM 0 H ARG A 34 -6.708 13.686 2.767 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.197 15.196 3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.623 15.899 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.030 16.940 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.755 16.658 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.133 16.126 4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.371 18.783 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.230 18.555 4.490 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.030 17.517 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.104 20.592 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.922 21.547 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.515 18.761 0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.464 20.514 1.175 1.00 0.00 H new ATOM 506 N HIS A 35 -8.677 13.304 0.715 1.00 0.00 N ATOM 507 CA HIS A 35 -9.194 12.813 -0.562 1.00 0.00 C ATOM 508 C HIS A 35 -9.842 11.448 -0.393 1.00 0.00 C ATOM 509 O HIS A 35 -11.024 11.264 -0.686 1.00 0.00 O ATOM 510 CB HIS A 35 -8.085 12.707 -1.618 1.00 0.00 C ATOM 511 CG HIS A 35 -7.376 13.994 -1.917 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.029 15.177 -2.177 1.00 0.00 N ATOM 513 CD2 HIS A 35 -6.056 14.273 -1.990 1.00 0.00 C ATOM 514 CE1 HIS A 35 -7.138 16.126 -2.396 1.00 0.00 C ATOM 515 NE2 HIS A 35 -5.930 15.604 -2.286 1.00 0.00 N ATOM 0 H HIS A 35 -8.099 12.635 1.224 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.937 13.535 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.352 11.974 -1.282 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.518 12.324 -2.542 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.247 13.573 -1.842 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.360 17.157 -2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.051 16.108 -2.402 1.00 0.00 H new ATOM 524 N ASN A 36 -9.055 10.501 0.088 1.00 0.00 N ATOM 525 CA ASN A 36 -9.498 9.127 0.250 1.00 0.00 C ATOM 526 C ASN A 36 -10.188 8.950 1.595 1.00 0.00 C ATOM 527 O ASN A 36 -9.553 8.648 2.605 1.00 0.00 O ATOM 528 CB ASN A 36 -8.307 8.173 0.128 1.00 0.00 C ATOM 529 CG ASN A 36 -8.702 6.717 0.279 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.801 6.318 -0.088 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.802 5.916 0.822 1.00 0.00 N ATOM 0 H ASN A 36 -8.090 10.663 0.377 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.214 8.892 -0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.830 8.317 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.567 8.424 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.011 4.926 0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.898 6.288 1.114 1.00 0.00 H new ATOM 538 N VAL A 37 -11.489 9.173 1.593 1.00 0.00 N ATOM 539 CA VAL A 37 -12.298 9.063 2.797 1.00 0.00 C ATOM 540 C VAL A 37 -12.548 7.598 3.146 1.00 0.00 C ATOM 541 O VAL A 37 -12.814 7.250 4.300 1.00 0.00 O ATOM 542 CB VAL A 37 -13.653 9.786 2.603 1.00 0.00 C ATOM 543 CG1 VAL A 37 -14.494 9.748 3.873 1.00 0.00 C ATOM 544 CG2 VAL A 37 -13.429 11.224 2.150 1.00 0.00 C ATOM 0 H VAL A 37 -12.016 9.435 0.760 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.753 9.534 3.615 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.205 9.256 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.438 10.265 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.693 8.712 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.954 10.240 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.392 11.718 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.848 11.756 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.887 11.227 1.204 1.00 0.00 H new ATOM 554 N SER A 38 -12.452 6.739 2.144 1.00 0.00 N ATOM 555 CA SER A 38 -12.744 5.331 2.326 1.00 0.00 C ATOM 556 C SER A 38 -11.458 4.510 2.469 1.00 0.00 C ATOM 557 O SER A 38 -10.945 4.326 3.581 1.00 0.00 O ATOM 558 CB SER A 38 -13.594 4.821 1.154 1.00 0.00 C ATOM 559 OG SER A 38 -13.954 3.460 1.325 1.00 0.00 O ATOM 0 H SER A 38 -12.174 6.995 1.197 1.00 0.00 H new ATOM 0 HA SER A 38 -13.309 5.211 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.495 5.428 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.039 4.937 0.223 1.00 0.00 H new ATOM 0 HG SER A 38 -13.266 2.887 0.926 1.00 0.00 H new ATOM 565 N HIS A 39 -10.917 4.049 1.342 1.00 0.00 N ATOM 566 CA HIS A 39 -9.769 3.151 1.349 1.00 0.00 C ATOM 567 C HIS A 39 -9.274 2.898 -0.073 1.00 0.00 C ATOM 568 O HIS A 39 -10.019 3.068 -1.036 1.00 0.00 O ATOM 569 CB HIS A 39 -10.131 1.818 2.024 1.00 0.00 C ATOM 570 CG HIS A 39 -11.096 0.967 1.245 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.397 1.333 0.992 1.00 0.00 N ATOM 572 CD2 HIS A 39 -10.927 -0.240 0.657 1.00 0.00 C ATOM 573 CE1 HIS A 39 -12.987 0.393 0.280 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.117 -0.574 0.064 1.00 0.00 N ATOM 0 H HIS A 39 -11.259 4.285 0.410 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.970 3.627 1.917 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.216 1.249 2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.559 2.026 3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.023 -0.830 0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.009 0.412 -0.067 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.300 -1.431 -0.459 1.00 0.00 H new ATOM 583 N TYR A 40 -8.023 2.482 -0.201 1.00 0.00 N ATOM 584 CA TYR A 40 -7.465 2.176 -1.510 1.00 0.00 C ATOM 585 C TYR A 40 -6.889 0.766 -1.524 1.00 0.00 C ATOM 586 O TYR A 40 -6.386 0.283 -0.508 1.00 0.00 O ATOM 587 CB TYR A 40 -6.397 3.206 -1.914 1.00 0.00 C ATOM 588 CG TYR A 40 -5.143 3.198 -1.064 1.00 0.00 C ATOM 589 CD1 TYR A 40 -5.066 3.957 0.097 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.038 2.437 -1.425 1.00 0.00 C ATOM 591 CE1 TYR A 40 -3.924 3.958 0.871 1.00 0.00 C ATOM 592 CE2 TYR A 40 -2.892 2.430 -0.655 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.842 3.193 0.492 1.00 0.00 C ATOM 594 OH TYR A 40 -1.707 3.185 1.270 1.00 0.00 O ATOM 0 H TYR A 40 -7.379 2.349 0.579 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.270 2.229 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.115 3.026 -2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.840 4.201 -1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.913 4.555 0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.076 1.840 -2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.878 4.555 1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.042 1.832 -0.949 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.825 2.559 2.015 1.00 0.00 H new ATOM 604 N ILE A 41 -6.993 0.106 -2.670 1.00 0.00 N ATOM 605 CA ILE A 41 -6.477 -1.244 -2.834 1.00 0.00 C ATOM 606 C ILE A 41 -5.282 -1.229 -3.783 1.00 0.00 C ATOM 607 O ILE A 41 -5.428 -0.988 -4.981 1.00 0.00 O ATOM 608 CB ILE A 41 -7.544 -2.226 -3.384 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.790 -2.266 -2.487 1.00 0.00 C ATOM 610 CG2 ILE A 41 -6.956 -3.625 -3.520 1.00 0.00 C ATOM 611 CD1 ILE A 41 -9.773 -1.141 -2.739 1.00 0.00 C ATOM 0 H ILE A 41 -7.434 0.489 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.180 -1.593 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.848 -1.866 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.299 -3.218 -2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.475 -2.231 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.716 -4.303 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.110 -3.599 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.621 -3.975 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.623 -1.243 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.283 -0.183 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.121 -1.186 -3.771 1.00 0.00 H new ATOM 623 N TYR A 42 -4.107 -1.468 -3.234 1.00 0.00 N ATOM 624 CA TYR A 42 -2.872 -1.467 -4.002 1.00 0.00 C ATOM 625 C TYR A 42 -2.478 -2.902 -4.347 1.00 0.00 C ATOM 626 O TYR A 42 -2.092 -3.675 -3.473 1.00 0.00 O ATOM 627 CB TYR A 42 -1.769 -0.788 -3.174 1.00 0.00 C ATOM 628 CG TYR A 42 -0.501 -0.428 -3.929 1.00 0.00 C ATOM 629 CD1 TYR A 42 -0.309 -0.788 -5.257 1.00 0.00 C ATOM 630 CD2 TYR A 42 0.506 0.289 -3.295 1.00 0.00 C ATOM 631 CE1 TYR A 42 0.850 -0.444 -5.929 1.00 0.00 C ATOM 632 CE2 TYR A 42 1.664 0.636 -3.959 1.00 0.00 C ATOM 633 CZ TYR A 42 1.833 0.268 -5.275 1.00 0.00 C ATOM 634 OH TYR A 42 2.987 0.619 -5.940 1.00 0.00 O ATOM 0 H TYR A 42 -3.979 -1.669 -2.242 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.012 -0.916 -4.932 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.179 0.122 -2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.503 -1.448 -2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.077 -1.345 -5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.380 0.580 -2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.984 -0.732 -6.961 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.435 1.194 -3.449 1.00 0.00 H new ATOM 0 HH TYR A 42 3.574 1.118 -5.335 1.00 0.00 H new ATOM 644 N TYR A 43 -2.605 -3.269 -5.615 1.00 0.00 N ATOM 645 CA TYR A 43 -2.206 -4.597 -6.061 1.00 0.00 C ATOM 646 C TYR A 43 -0.696 -4.653 -6.264 1.00 0.00 C ATOM 647 O TYR A 43 -0.151 -3.957 -7.120 1.00 0.00 O ATOM 648 CB TYR A 43 -2.944 -4.976 -7.346 1.00 0.00 C ATOM 649 CG TYR A 43 -4.437 -5.141 -7.148 1.00 0.00 C ATOM 650 CD1 TYR A 43 -4.955 -6.325 -6.640 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.321 -4.116 -7.456 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.314 -6.481 -6.443 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.683 -4.267 -7.264 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.173 -5.452 -6.755 1.00 0.00 C ATOM 655 OH TYR A 43 -8.525 -5.606 -6.547 1.00 0.00 O ATOM 0 H TYR A 43 -2.979 -2.669 -6.350 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.476 -5.320 -5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.766 -4.209 -8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.530 -5.907 -7.735 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.286 -7.136 -6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.940 -3.186 -7.852 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.701 -7.408 -6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.359 -3.462 -7.511 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.993 -4.788 -6.817 1.00 0.00 H new ATOM 665 N LEU A 44 -0.027 -5.479 -5.467 1.00 0.00 N ATOM 666 CA LEU A 44 1.435 -5.518 -5.448 1.00 0.00 C ATOM 667 C LEU A 44 2.014 -6.175 -6.701 1.00 0.00 C ATOM 668 O LEU A 44 2.924 -5.626 -7.321 1.00 0.00 O ATOM 669 CB LEU A 44 1.957 -6.234 -4.194 1.00 0.00 C ATOM 670 CG LEU A 44 1.795 -5.467 -2.873 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.363 -5.533 -2.367 1.00 0.00 C ATOM 672 CD2 LEU A 44 2.758 -6.007 -1.826 1.00 0.00 C ATOM 0 H LEU A 44 -0.473 -6.133 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 44 1.770 -4.481 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.442 -7.190 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.015 -6.454 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 44 2.033 -4.420 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.282 -4.981 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.305 -5.093 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.084 -6.573 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.631 -5.454 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.551 -7.063 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.782 -5.892 -2.180 1.00 0.00 H new ATOM 684 N ALA A 45 1.475 -7.331 -7.086 1.00 0.00 N ATOM 685 CA ALA A 45 1.998 -8.090 -8.232 1.00 0.00 C ATOM 686 C ALA A 45 1.466 -7.544 -9.556 1.00 0.00 C ATOM 687 O ALA A 45 1.159 -8.300 -10.478 1.00 0.00 O ATOM 688 CB ALA A 45 1.645 -9.565 -8.092 1.00 0.00 C ATOM 0 H ALA A 45 0.676 -7.766 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 45 3.082 -7.980 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.038 -10.116 -8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.083 -9.958 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.562 -9.678 -8.055 1.00 0.00 H new ATOM 694 N THR A 46 1.384 -6.229 -9.640 1.00 0.00 N ATOM 695 CA THR A 46 0.862 -5.537 -10.817 1.00 0.00 C ATOM 696 C THR A 46 1.220 -4.054 -10.733 1.00 0.00 C ATOM 697 O THR A 46 1.517 -3.408 -11.740 1.00 0.00 O ATOM 698 CB THR A 46 -0.682 -5.667 -10.929 1.00 0.00 C ATOM 699 OG1 THR A 46 -1.085 -7.045 -10.895 1.00 0.00 O ATOM 700 CG2 THR A 46 -1.189 -5.035 -12.218 1.00 0.00 C ATOM 0 H THR A 46 1.678 -5.602 -8.891 1.00 0.00 H new ATOM 0 HA THR A 46 1.311 -5.998 -11.696 1.00 0.00 H new ATOM 0 HB THR A 46 -1.114 -5.144 -10.076 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.322 -7.615 -11.125 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.273 -5.139 -12.273 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.925 -3.978 -12.233 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.733 -5.535 -13.072 1.00 0.00 H new ATOM 708 N GLU A 47 1.191 -3.542 -9.503 1.00 0.00 N ATOM 709 CA GLU A 47 1.391 -2.129 -9.213 1.00 0.00 C ATOM 710 C GLU A 47 0.250 -1.320 -9.804 1.00 0.00 C ATOM 711 O GLU A 47 0.414 -0.567 -10.763 1.00 0.00 O ATOM 712 CB GLU A 47 2.757 -1.614 -9.687 1.00 0.00 C ATOM 713 CG GLU A 47 3.093 -0.232 -9.139 1.00 0.00 C ATOM 714 CD GLU A 47 4.546 0.150 -9.325 1.00 0.00 C ATOM 715 OE1 GLU A 47 5.409 -0.474 -8.684 1.00 0.00 O ATOM 716 OE2 GLU A 47 4.826 1.091 -10.092 1.00 0.00 O ATOM 0 H GLU A 47 1.025 -4.108 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 47 1.390 -2.006 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.531 -2.318 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.769 -1.580 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.464 0.509 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.850 -0.201 -8.077 1.00 0.00 H new ATOM 723 N ASN A 48 -0.926 -1.531 -9.242 1.00 0.00 N ATOM 724 CA ASN A 48 -2.117 -0.810 -9.642 1.00 0.00 C ATOM 725 C ASN A 48 -2.885 -0.414 -8.393 1.00 0.00 C ATOM 726 O ASN A 48 -3.380 -1.274 -7.658 1.00 0.00 O ATOM 727 CB ASN A 48 -2.990 -1.675 -10.559 1.00 0.00 C ATOM 728 CG ASN A 48 -4.128 -0.899 -11.208 1.00 0.00 C ATOM 729 OD1 ASN A 48 -4.652 0.064 -10.651 1.00 0.00 O ATOM 730 ND2 ASN A 48 -4.517 -1.324 -12.401 1.00 0.00 N ATOM 0 H ASN A 48 -1.081 -2.208 -8.495 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.835 0.083 -10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.366 -2.112 -11.338 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.405 -2.501 -9.982 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.276 -0.848 -12.889 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.058 -2.127 -12.831 1.00 0.00 H new ATOM 737 N VAL A 49 -2.949 0.879 -8.138 1.00 0.00 N ATOM 738 CA VAL A 49 -3.595 1.388 -6.943 1.00 0.00 C ATOM 739 C VAL A 49 -5.034 1.777 -7.245 1.00 0.00 C ATOM 740 O VAL A 49 -5.285 2.616 -8.102 1.00 0.00 O ATOM 741 CB VAL A 49 -2.853 2.618 -6.372 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.309 2.907 -4.953 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.346 2.419 -6.426 1.00 0.00 C ATOM 0 H VAL A 49 -2.559 1.599 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.571 0.591 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.099 3.480 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.775 3.776 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.380 3.108 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.100 2.044 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.848 3.299 -6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.073 1.543 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.035 2.273 -7.460 1.00 0.00 H new ATOM 753 N HIS A 50 -5.971 1.148 -6.557 1.00 0.00 N ATOM 754 CA HIS A 50 -7.385 1.472 -6.706 1.00 0.00 C ATOM 755 C HIS A 50 -7.860 2.335 -5.542 1.00 0.00 C ATOM 756 O HIS A 50 -8.163 1.820 -4.468 1.00 0.00 O ATOM 757 CB HIS A 50 -8.235 0.199 -6.780 1.00 0.00 C ATOM 758 CG HIS A 50 -8.212 -0.490 -8.113 1.00 0.00 C ATOM 759 ND1 HIS A 50 -9.238 -1.304 -8.547 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.295 -0.486 -9.111 1.00 0.00 C ATOM 761 CE1 HIS A 50 -8.957 -1.763 -9.751 1.00 0.00 C ATOM 762 NE2 HIS A 50 -7.785 -1.286 -10.118 1.00 0.00 N ATOM 0 H HIS A 50 -5.779 0.405 -5.885 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.503 2.027 -7.637 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.887 -0.499 -6.019 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.266 0.452 -6.534 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.355 0.046 -9.115 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.583 -2.420 -10.338 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.317 -1.478 -11.004 1.00 0.00 H new ATOM 771 N ILE A 51 -7.906 3.641 -5.751 1.00 0.00 N ATOM 772 CA ILE A 51 -8.334 4.564 -4.709 1.00 0.00 C ATOM 773 C ILE A 51 -9.829 4.829 -4.809 1.00 0.00 C ATOM 774 O ILE A 51 -10.291 5.477 -5.750 1.00 0.00 O ATOM 775 CB ILE A 51 -7.597 5.929 -4.772 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.077 5.754 -4.731 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.047 6.828 -3.629 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.458 5.476 -6.083 1.00 0.00 C ATOM 0 H ILE A 51 -7.652 4.087 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.088 4.081 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.856 6.397 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.628 6.656 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.833 4.935 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.521 7.781 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.121 7.001 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.822 6.347 -2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.379 5.364 -5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.878 4.558 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.670 6.306 -6.758 1.00 0.00 H new ATOM 790 N VAL A 52 -10.580 4.317 -3.851 1.00 0.00 N ATOM 791 CA VAL A 52 -11.999 4.611 -3.770 1.00 0.00 C ATOM 792 C VAL A 52 -12.207 5.775 -2.815 1.00 0.00 C ATOM 793 O VAL A 52 -12.183 5.594 -1.598 1.00 0.00 O ATOM 794 CB VAL A 52 -12.827 3.398 -3.285 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.317 3.708 -3.352 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.497 2.156 -4.103 1.00 0.00 C ATOM 0 H VAL A 52 -10.232 3.697 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.345 4.861 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.564 3.198 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.884 2.844 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.539 4.565 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.595 3.938 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.091 1.316 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.726 2.340 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.438 1.922 -3.998 1.00 0.00 H new ATOM 806 N LEU A 53 -12.374 6.972 -3.375 1.00 0.00 N ATOM 807 CA LEU A 53 -12.482 8.194 -2.574 1.00 0.00 C ATOM 808 C LEU A 53 -13.550 8.060 -1.497 1.00 0.00 C ATOM 809 O LEU A 53 -13.300 8.317 -0.325 1.00 0.00 O ATOM 810 CB LEU A 53 -12.810 9.392 -3.466 1.00 0.00 C ATOM 811 CG LEU A 53 -11.788 9.690 -4.564 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.232 10.887 -5.384 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.411 9.940 -3.967 1.00 0.00 C ATOM 0 H LEU A 53 -12.438 7.124 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.518 8.353 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.780 9.222 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.910 10.276 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.724 8.820 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.496 11.088 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.197 10.675 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.323 11.759 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.700 10.150 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.457 10.793 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.087 9.057 -3.416 1.00 0.00 H new ATOM 825 N LYS A 54 -14.735 7.654 -1.919 1.00 0.00 N ATOM 826 CA LYS A 54 -15.872 7.484 -1.029 1.00 0.00 C ATOM 827 C LYS A 54 -17.039 6.960 -1.850 1.00 0.00 C ATOM 828 O LYS A 54 -17.440 5.806 -1.719 1.00 0.00 O ATOM 829 CB LYS A 54 -16.239 8.816 -0.368 1.00 0.00 C ATOM 830 CG LYS A 54 -17.293 8.703 0.718 1.00 0.00 C ATOM 831 CD LYS A 54 -17.619 10.065 1.303 1.00 0.00 C ATOM 832 CE LYS A 54 -18.242 10.976 0.258 1.00 0.00 C ATOM 833 NZ LYS A 54 -18.277 12.392 0.702 1.00 0.00 N ATOM 0 H LYS A 54 -14.937 7.432 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.624 6.778 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.338 9.256 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.596 9.503 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.197 8.254 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.938 8.040 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.304 9.949 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.710 10.523 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.676 10.902 -0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.256 10.639 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.709 12.978 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.838 12.469 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.308 12.723 0.884 1.00 0.00 H new ATOM 847 N ASN A 55 -17.564 7.827 -2.703 1.00 0.00 N ATOM 848 CA ASN A 55 -18.544 7.431 -3.707 1.00 0.00 C ATOM 849 C ASN A 55 -18.439 8.383 -4.896 1.00 0.00 C ATOM 850 O ASN A 55 -19.321 8.464 -5.743 1.00 0.00 O ATOM 851 CB ASN A 55 -19.964 7.435 -3.116 1.00 0.00 C ATOM 852 CG ASN A 55 -21.005 6.866 -4.071 1.00 0.00 C ATOM 853 OD1 ASN A 55 -21.689 7.604 -4.781 1.00 0.00 O ATOM 854 ND2 ASN A 55 -21.128 5.549 -4.104 1.00 0.00 N ATOM 0 H ASN A 55 -17.326 8.819 -2.720 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.338 6.414 -4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.970 6.855 -2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -20.240 8.456 -2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -21.806 5.116 -4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -20.545 4.967 -3.502 1.00 0.00 H new ATOM 861 N ASP A 56 -17.324 9.099 -4.952 1.00 0.00 N ATOM 862 CA ASP A 56 -17.087 10.067 -6.014 1.00 0.00 C ATOM 863 C ASP A 56 -16.616 9.336 -7.266 1.00 0.00 C ATOM 864 O ASP A 56 -17.271 9.376 -8.308 1.00 0.00 O ATOM 865 CB ASP A 56 -16.038 11.092 -5.565 1.00 0.00 C ATOM 866 CG ASP A 56 -16.086 12.375 -6.371 1.00 0.00 C ATOM 867 OD1 ASP A 56 -15.513 12.420 -7.478 1.00 0.00 O ATOM 868 OD2 ASP A 56 -16.690 13.356 -5.890 1.00 0.00 O ATOM 0 H ASP A 56 -16.567 9.027 -4.272 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.012 10.598 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.192 11.325 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.045 10.651 -5.652 1.00 0.00 H new ATOM 873 N ASN A 57 -15.487 8.650 -7.137 1.00 0.00 N ATOM 874 CA ASN A 57 -14.966 7.801 -8.199 1.00 0.00 C ATOM 875 C ASN A 57 -13.847 6.916 -7.661 1.00 0.00 C ATOM 876 O ASN A 57 -13.358 7.127 -6.543 1.00 0.00 O ATOM 877 CB ASN A 57 -14.454 8.636 -9.387 1.00 0.00 C ATOM 878 CG ASN A 57 -13.301 9.557 -9.026 1.00 0.00 C ATOM 879 OD1 ASN A 57 -13.507 10.695 -8.609 1.00 0.00 O ATOM 880 ND2 ASN A 57 -12.079 9.086 -9.209 1.00 0.00 N ATOM 0 H ASN A 57 -14.909 8.667 -6.296 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.782 7.173 -8.557 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.136 7.963 -10.184 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -15.276 9.233 -9.783 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.270 9.672 -9.003 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.945 8.136 -9.557 1.00 0.00 H new ATOM 887 N THR A 58 -13.477 5.912 -8.443 1.00 0.00 N ATOM 888 CA THR A 58 -12.353 5.052 -8.125 1.00 0.00 C ATOM 889 C THR A 58 -11.186 5.367 -9.054 1.00 0.00 C ATOM 890 O THR A 58 -11.320 5.287 -10.275 1.00 0.00 O ATOM 891 CB THR A 58 -12.720 3.565 -8.278 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.943 3.281 -7.587 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.610 2.672 -7.739 1.00 0.00 C ATOM 0 H THR A 58 -13.949 5.673 -9.315 1.00 0.00 H new ATOM 0 HA THR A 58 -12.076 5.238 -7.087 1.00 0.00 H new ATOM 0 HB THR A 58 -12.849 3.359 -9.340 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.166 2.333 -7.693 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.894 1.626 -7.859 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.689 2.863 -8.290 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.452 2.886 -6.682 1.00 0.00 H new ATOM 901 N VAL A 59 -10.056 5.736 -8.482 1.00 0.00 N ATOM 902 CA VAL A 59 -8.877 6.056 -9.272 1.00 0.00 C ATOM 903 C VAL A 59 -7.966 4.838 -9.358 1.00 0.00 C ATOM 904 O VAL A 59 -7.521 4.323 -8.336 1.00 0.00 O ATOM 905 CB VAL A 59 -8.084 7.230 -8.656 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.114 7.819 -9.668 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.019 8.304 -8.126 1.00 0.00 C ATOM 0 H VAL A 59 -9.927 5.822 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.215 6.348 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.509 6.838 -7.817 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.567 8.644 -9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.410 7.050 -9.988 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.668 8.186 -10.532 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.433 9.118 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.632 8.688 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.664 7.878 -7.357 1.00 0.00 H new ATOM 917 N LEU A 60 -7.713 4.363 -10.569 1.00 0.00 N ATOM 918 CA LEU A 60 -6.811 3.237 -10.770 1.00 0.00 C ATOM 919 C LEU A 60 -5.483 3.718 -11.345 1.00 0.00 C ATOM 920 O LEU A 60 -5.429 4.280 -12.439 1.00 0.00 O ATOM 921 CB LEU A 60 -7.435 2.157 -11.672 1.00 0.00 C ATOM 922 CG LEU A 60 -7.937 2.616 -13.046 1.00 0.00 C ATOM 923 CD1 LEU A 60 -7.964 1.440 -14.011 1.00 0.00 C ATOM 924 CD2 LEU A 60 -9.329 3.222 -12.937 1.00 0.00 C ATOM 0 H LEU A 60 -8.119 4.739 -11.426 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.630 2.781 -9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.695 1.371 -11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.271 1.707 -11.137 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.254 3.377 -13.423 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.322 1.776 -14.984 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.959 1.032 -14.115 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.631 0.668 -13.626 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.665 3.541 -13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.020 2.478 -12.541 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.300 4.082 -12.268 1.00 0.00 H new ATOM 936 N LEU A 61 -4.420 3.516 -10.585 1.00 0.00 N ATOM 937 CA LEU A 61 -3.099 3.980 -10.976 1.00 0.00 C ATOM 938 C LEU A 61 -2.220 2.815 -11.400 1.00 0.00 C ATOM 939 O LEU A 61 -1.792 2.023 -10.561 1.00 0.00 O ATOM 940 CB LEU A 61 -2.423 4.700 -9.808 1.00 0.00 C ATOM 941 CG LEU A 61 -3.281 5.740 -9.089 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.544 6.277 -7.876 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.653 6.874 -10.030 1.00 0.00 C ATOM 0 H LEU A 61 -4.446 3.031 -9.688 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.223 4.665 -11.815 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.103 3.954 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.523 5.191 -10.179 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.201 5.259 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.165 7.017 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.326 5.458 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.611 6.742 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.264 7.603 -9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.746 7.357 -10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.216 6.476 -10.874 1.00 0.00 H new ATOM 955 N LYS A 62 -1.953 2.702 -12.693 1.00 0.00 N ATOM 956 CA LYS A 62 -1.022 1.693 -13.174 1.00 0.00 C ATOM 957 C LYS A 62 0.400 2.215 -13.054 1.00 0.00 C ATOM 958 O LYS A 62 0.769 3.196 -13.704 1.00 0.00 O ATOM 959 CB LYS A 62 -1.303 1.314 -14.628 1.00 0.00 C ATOM 960 CG LYS A 62 -0.454 0.147 -15.113 1.00 0.00 C ATOM 961 CD LYS A 62 -0.454 0.035 -16.629 1.00 0.00 C ATOM 962 CE LYS A 62 0.335 1.167 -17.273 1.00 0.00 C ATOM 963 NZ LYS A 62 1.788 1.099 -16.944 1.00 0.00 N ATOM 0 H LYS A 62 -2.362 3.289 -13.420 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.149 0.800 -12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.357 1.058 -14.734 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.120 2.179 -15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.569 0.271 -14.759 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.831 -0.780 -14.681 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.025 -0.923 -16.924 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.480 0.051 -16.996 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.207 1.127 -18.355 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.067 2.124 -16.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.320 1.717 -17.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.937 1.413 -15.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.122 0.120 -17.048 1.00 0.00 H new ATOM 977 N GLY A 63 1.188 1.568 -12.216 1.00 0.00 N ATOM 978 CA GLY A 63 2.567 1.966 -12.042 1.00 0.00 C ATOM 979 C GLY A 63 3.473 1.436 -13.138 1.00 0.00 C ATOM 980 O GLY A 63 3.238 1.692 -14.322 1.00 0.00 O ATOM 0 H GLY A 63 0.897 0.771 -11.650 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.627 3.054 -12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.925 1.609 -11.076 1.00 0.00 H new ATOM 984 N LEU A 64 4.502 0.699 -12.738 1.00 0.00 N ATOM 985 CA LEU A 64 5.494 0.178 -13.670 1.00 0.00 C ATOM 986 C LEU A 64 4.883 -0.774 -14.693 1.00 0.00 C ATOM 987 O LEU A 64 4.591 -0.367 -15.818 1.00 0.00 O ATOM 988 CB LEU A 64 6.631 -0.520 -12.915 1.00 0.00 C ATOM 989 CG LEU A 64 7.452 0.385 -11.993 1.00 0.00 C ATOM 990 CD1 LEU A 64 8.556 -0.406 -11.311 1.00 0.00 C ATOM 991 CD2 LEU A 64 8.038 1.556 -12.769 1.00 0.00 C ATOM 0 H LEU A 64 4.672 0.447 -11.764 1.00 0.00 H new ATOM 0 HA LEU A 64 5.896 1.032 -14.216 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.208 -1.330 -12.320 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.303 -0.976 -13.642 1.00 0.00 H new ATOM 0 HG LEU A 64 6.787 0.781 -11.226 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.128 0.255 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.116 -1.208 -10.718 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.217 -0.833 -12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.618 2.186 -12.094 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.686 1.180 -13.561 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.231 2.142 -13.209 1.00 0.00 H new ATOM 1003 N LYS A 65 4.670 -2.033 -14.312 1.00 0.00 N ATOM 1004 CA LYS A 65 4.220 -3.032 -15.279 1.00 0.00 C ATOM 1005 C LYS A 65 3.871 -4.370 -14.627 1.00 0.00 C ATOM 1006 O LYS A 65 2.742 -4.847 -14.746 1.00 0.00 O ATOM 1007 CB LYS A 65 5.311 -3.256 -16.333 1.00 0.00 C ATOM 1008 CG LYS A 65 4.903 -4.184 -17.464 1.00 0.00 C ATOM 1009 CD LYS A 65 6.041 -4.385 -18.444 1.00 0.00 C ATOM 1010 CE LYS A 65 5.621 -5.253 -19.615 1.00 0.00 C ATOM 1011 NZ LYS A 65 4.483 -4.666 -20.366 1.00 0.00 N ATOM 0 H LYS A 65 4.798 -2.380 -13.362 1.00 0.00 H new ATOM 0 HA LYS A 65 3.311 -2.644 -15.739 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.597 -2.292 -16.754 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.195 -3.665 -15.843 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.597 -5.147 -17.055 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.040 -3.770 -17.985 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.381 -3.417 -18.811 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.886 -4.847 -17.932 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.468 -5.388 -20.288 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.343 -6.242 -19.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.402 -5.130 -21.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.603 -4.808 -19.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.645 -3.648 -20.502 1.00 0.00 H new ATOM 1025 N ASN A 66 4.842 -4.982 -13.959 1.00 0.00 N ATOM 1026 CA ASN A 66 4.681 -6.359 -13.490 1.00 0.00 C ATOM 1027 C ASN A 66 5.020 -6.498 -12.007 1.00 0.00 C ATOM 1028 O ASN A 66 4.151 -6.350 -11.151 1.00 0.00 O ATOM 1029 CB ASN A 66 5.557 -7.291 -14.344 1.00 0.00 C ATOM 1030 CG ASN A 66 5.359 -8.761 -14.025 1.00 0.00 C ATOM 1031 OD1 ASN A 66 6.073 -9.332 -13.202 1.00 0.00 O ATOM 1032 ND2 ASN A 66 4.387 -9.377 -14.679 1.00 0.00 N ATOM 0 H ASN A 66 5.740 -4.555 -13.730 1.00 0.00 H new ATOM 0 HA ASN A 66 3.634 -6.642 -13.600 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.335 -7.122 -15.398 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.605 -7.032 -14.194 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.205 -10.366 -14.509 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.820 -8.863 -15.353 1.00 0.00 H new ATOM 1039 N ILE A 67 6.292 -6.771 -11.710 1.00 0.00 N ATOM 1040 CA ILE A 67 6.770 -6.918 -10.332 1.00 0.00 C ATOM 1041 C ILE A 67 6.065 -8.087 -9.622 1.00 0.00 C ATOM 1042 O ILE A 67 5.749 -8.026 -8.433 1.00 0.00 O ATOM 1043 CB ILE A 67 6.581 -5.608 -9.521 1.00 0.00 C ATOM 1044 CG1 ILE A 67 7.032 -4.405 -10.353 1.00 0.00 C ATOM 1045 CG2 ILE A 67 7.376 -5.658 -8.218 1.00 0.00 C ATOM 1046 CD1 ILE A 67 6.835 -3.080 -9.655 1.00 0.00 C ATOM 0 H ILE A 67 7.019 -6.896 -12.415 1.00 0.00 H new ATOM 0 HA ILE A 67 7.837 -7.135 -10.384 1.00 0.00 H new ATOM 0 HB ILE A 67 5.523 -5.506 -9.281 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.087 -4.521 -10.603 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.481 -4.397 -11.293 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.229 -4.730 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.032 -6.498 -7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.435 -5.782 -8.443 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.176 -2.273 -10.303 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.778 -2.941 -9.429 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.409 -3.068 -8.728 1.00 0.00 H new ATOM 1058 N VAL A 68 5.832 -9.164 -10.358 1.00 0.00 N ATOM 1059 CA VAL A 68 5.272 -10.368 -9.761 1.00 0.00 C ATOM 1060 C VAL A 68 6.346 -11.107 -8.969 1.00 0.00 C ATOM 1061 O VAL A 68 7.141 -11.867 -9.524 1.00 0.00 O ATOM 1062 CB VAL A 68 4.653 -11.315 -10.818 1.00 0.00 C ATOM 1063 CG1 VAL A 68 4.126 -12.592 -10.166 1.00 0.00 C ATOM 1064 CG2 VAL A 68 3.539 -10.612 -11.582 1.00 0.00 C ATOM 0 H VAL A 68 6.019 -9.230 -11.358 1.00 0.00 H new ATOM 0 HA VAL A 68 4.470 -10.055 -9.093 1.00 0.00 H new ATOM 0 HB VAL A 68 5.438 -11.590 -11.523 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.696 -13.240 -10.930 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.945 -13.111 -9.668 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.360 -12.337 -9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.117 -11.294 -12.320 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.759 -10.303 -10.886 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.942 -9.735 -12.088 1.00 0.00 H new ATOM 1074 N SER A 69 6.389 -10.830 -7.676 1.00 0.00 N ATOM 1075 CA SER A 69 7.338 -11.468 -6.776 1.00 0.00 C ATOM 1076 C SER A 69 6.593 -12.005 -5.556 1.00 0.00 C ATOM 1077 O SER A 69 7.178 -12.255 -4.502 1.00 0.00 O ATOM 1078 CB SER A 69 8.411 -10.451 -6.363 1.00 0.00 C ATOM 1079 OG SER A 69 9.441 -11.052 -5.594 1.00 0.00 O ATOM 0 H SER A 69 5.770 -10.159 -7.221 1.00 0.00 H new ATOM 0 HA SER A 69 7.829 -12.302 -7.277 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.842 -9.996 -7.255 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.949 -9.649 -5.787 1.00 0.00 H new ATOM 0 HG SER A 69 9.043 -11.612 -4.895 1.00 0.00 H new ATOM 1085 N VAL A 70 5.292 -12.193 -5.735 1.00 0.00 N ATOM 1086 CA VAL A 70 4.415 -12.649 -4.669 1.00 0.00 C ATOM 1087 C VAL A 70 4.463 -14.167 -4.537 1.00 0.00 C ATOM 1088 O VAL A 70 4.327 -14.885 -5.529 1.00 0.00 O ATOM 1089 CB VAL A 70 2.959 -12.197 -4.932 1.00 0.00 C ATOM 1090 CG1 VAL A 70 2.008 -12.740 -3.878 1.00 0.00 C ATOM 1091 CG2 VAL A 70 2.874 -10.682 -4.987 1.00 0.00 C ATOM 0 H VAL A 70 4.817 -12.033 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 70 4.765 -12.204 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 70 2.656 -12.603 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.994 -12.403 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.038 -13.830 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.309 -12.378 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.843 -10.382 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.208 -10.264 -4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.510 -10.311 -5.790 1.00 0.00 H new ATOM 1101 N LYS A 71 4.669 -14.655 -3.318 1.00 0.00 N ATOM 1102 CA LYS A 71 4.640 -16.091 -3.074 1.00 0.00 C ATOM 1103 C LYS A 71 3.200 -16.587 -3.063 1.00 0.00 C ATOM 1104 O LYS A 71 2.307 -15.901 -2.562 1.00 0.00 O ATOM 1105 CB LYS A 71 5.305 -16.468 -1.741 1.00 0.00 C ATOM 1106 CG LYS A 71 6.801 -16.194 -1.674 1.00 0.00 C ATOM 1107 CD LYS A 71 7.512 -17.186 -0.753 1.00 0.00 C ATOM 1108 CE LYS A 71 6.941 -17.194 0.667 1.00 0.00 C ATOM 1109 NZ LYS A 71 7.499 -16.111 1.520 1.00 0.00 N ATOM 0 H LYS A 71 4.856 -14.085 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 71 5.202 -16.564 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.813 -15.919 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.135 -17.528 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.228 -16.255 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.970 -15.178 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.434 -18.187 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.573 -16.939 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.857 -17.089 0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.148 -18.158 1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.225 -16.273 2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.536 -16.108 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.126 -15.193 1.204 1.00 0.00 H new ATOM 1123 N PHE A 72 2.978 -17.777 -3.604 1.00 0.00 N ATOM 1124 CA PHE A 72 1.658 -18.401 -3.585 1.00 0.00 C ATOM 1125 C PHE A 72 1.364 -18.982 -2.200 1.00 0.00 C ATOM 1126 O PHE A 72 0.947 -20.131 -2.058 1.00 0.00 O ATOM 1127 CB PHE A 72 1.562 -19.485 -4.675 1.00 0.00 C ATOM 1128 CG PHE A 72 2.705 -20.471 -4.685 1.00 0.00 C ATOM 1129 CD1 PHE A 72 3.883 -20.184 -5.360 1.00 0.00 C ATOM 1130 CD2 PHE A 72 2.598 -21.687 -4.027 1.00 0.00 C ATOM 1131 CE1 PHE A 72 4.928 -21.087 -5.376 1.00 0.00 C ATOM 1132 CE2 PHE A 72 3.639 -22.593 -4.041 1.00 0.00 C ATOM 1133 CZ PHE A 72 4.806 -22.293 -4.717 1.00 0.00 C ATOM 0 H PHE A 72 3.698 -18.334 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 72 0.906 -17.641 -3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.629 -20.032 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.511 -18.998 -5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.984 -19.243 -5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.688 -21.928 -3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.840 -20.849 -5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.541 -23.536 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.621 -23.001 -4.730 1.00 0.00 H new ATOM 1143 N SER A 73 1.551 -18.157 -1.182 1.00 0.00 N ATOM 1144 CA SER A 73 1.452 -18.599 0.192 1.00 0.00 C ATOM 1145 C SER A 73 0.831 -17.506 1.056 1.00 0.00 C ATOM 1146 O SER A 73 0.305 -16.516 0.542 1.00 0.00 O ATOM 1147 CB SER A 73 2.851 -18.956 0.711 1.00 0.00 C ATOM 1148 OG SER A 73 2.787 -19.650 1.941 1.00 0.00 O ATOM 0 H SER A 73 1.774 -17.167 -1.288 1.00 0.00 H new ATOM 0 HA SER A 73 0.812 -19.480 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.368 -19.569 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.437 -18.045 0.836 1.00 0.00 H new ATOM 0 HG SER A 73 3.694 -19.864 2.243 1.00 0.00 H new ATOM 1154 N LYS A 74 0.892 -17.706 2.366 1.00 0.00 N ATOM 1155 CA LYS A 74 0.392 -16.738 3.331 1.00 0.00 C ATOM 1156 C LYS A 74 1.413 -16.564 4.453 1.00 0.00 C ATOM 1157 O LYS A 74 1.306 -17.176 5.515 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.967 -17.186 3.884 1.00 0.00 C ATOM 1159 CG LYS A 74 -2.103 -17.060 2.878 1.00 0.00 C ATOM 1160 CD LYS A 74 -3.406 -17.622 3.416 1.00 0.00 C ATOM 1161 CE LYS A 74 -3.531 -19.107 3.119 1.00 0.00 C ATOM 1162 NZ LYS A 74 -3.789 -19.365 1.677 1.00 0.00 N ATOM 0 H LYS A 74 1.290 -18.545 2.789 1.00 0.00 H new ATOM 0 HA LYS A 74 0.248 -15.777 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.894 -18.224 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.205 -16.591 4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.241 -16.011 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.834 -17.584 1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.458 -17.459 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.246 -17.088 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.615 -19.616 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.341 -19.529 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.552 -20.353 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.793 -19.194 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.202 -18.729 1.100 1.00 0.00 H new ATOM 1176 N ASP A 75 2.415 -15.738 4.193 1.00 0.00 N ATOM 1177 CA ASP A 75 3.561 -15.605 5.086 1.00 0.00 C ATOM 1178 C ASP A 75 3.388 -14.411 6.019 1.00 0.00 C ATOM 1179 O ASP A 75 3.816 -13.301 5.706 1.00 0.00 O ATOM 1180 CB ASP A 75 4.831 -15.432 4.251 1.00 0.00 C ATOM 1181 CG ASP A 75 6.096 -15.849 4.968 1.00 0.00 C ATOM 1182 OD1 ASP A 75 6.243 -15.557 6.175 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.951 -16.493 4.315 1.00 0.00 O ATOM 0 H ASP A 75 2.459 -15.144 3.365 1.00 0.00 H new ATOM 0 HA ASP A 75 3.638 -16.505 5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.735 -16.015 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.920 -14.387 3.955 1.00 0.00 H new ATOM 1188 N ARG A 76 2.741 -14.632 7.153 1.00 0.00 N ATOM 1189 CA ARG A 76 2.527 -13.564 8.125 1.00 0.00 C ATOM 1190 C ARG A 76 3.840 -13.168 8.788 1.00 0.00 C ATOM 1191 O ARG A 76 4.047 -12.005 9.143 1.00 0.00 O ATOM 1192 CB ARG A 76 1.522 -13.992 9.196 1.00 0.00 C ATOM 1193 CG ARG A 76 0.091 -14.105 8.700 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.859 -14.505 9.822 1.00 0.00 C ATOM 1195 NE ARG A 76 -0.729 -13.633 10.991 1.00 0.00 N ATOM 1196 CZ ARG A 76 -1.750 -13.229 11.748 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -3.000 -13.546 11.429 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -1.518 -12.485 12.820 1.00 0.00 N ATOM 0 H ARG A 76 2.355 -15.536 7.425 1.00 0.00 H new ATOM 0 HA ARG A 76 2.125 -12.705 7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.830 -14.955 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.555 -13.274 10.016 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.225 -13.151 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.040 -14.842 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.885 -14.470 9.457 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.659 -15.536 10.115 1.00 0.00 H new ATOM 0 HE ARG A 76 0.206 -13.313 11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.188 -14.105 10.597 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.772 -13.231 12.017 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.562 -12.224 13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.295 -12.173 13.402 1.00 0.00 H new ATOM 1212 N HIS A 77 4.728 -14.145 8.932 1.00 0.00 N ATOM 1213 CA HIS A 77 6.009 -13.944 9.595 1.00 0.00 C ATOM 1214 C HIS A 77 6.857 -12.915 8.855 1.00 0.00 C ATOM 1215 O HIS A 77 7.546 -12.100 9.477 1.00 0.00 O ATOM 1216 CB HIS A 77 6.759 -15.279 9.696 1.00 0.00 C ATOM 1217 CG HIS A 77 8.120 -15.168 10.303 1.00 0.00 C ATOM 1218 ND1 HIS A 77 9.271 -15.409 9.593 1.00 0.00 N ATOM 1219 CD2 HIS A 77 8.509 -14.846 11.555 1.00 0.00 C ATOM 1220 CE1 HIS A 77 10.313 -15.243 10.385 1.00 0.00 C ATOM 1221 NE2 HIS A 77 9.877 -14.899 11.583 1.00 0.00 N ATOM 0 H HIS A 77 4.580 -15.096 8.593 1.00 0.00 H new ATOM 0 HA HIS A 77 5.820 -13.562 10.598 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.164 -15.974 10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.851 -15.708 8.698 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.861 -14.593 12.381 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.348 -15.367 10.101 1.00 0.00 H new ATOM 0 HE2 HIS A 77 10.463 -14.705 12.395 1.00 0.00 H new ATOM 1230 N LEU A 78 6.811 -12.954 7.531 1.00 0.00 N ATOM 1231 CA LEU A 78 7.580 -12.018 6.727 1.00 0.00 C ATOM 1232 C LEU A 78 6.989 -10.614 6.831 1.00 0.00 C ATOM 1233 O LEU A 78 7.719 -9.625 6.818 1.00 0.00 O ATOM 1234 CB LEU A 78 7.638 -12.475 5.267 1.00 0.00 C ATOM 1235 CG LEU A 78 8.585 -11.673 4.371 1.00 0.00 C ATOM 1236 CD1 LEU A 78 9.989 -11.648 4.958 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.612 -12.271 2.976 1.00 0.00 C ATOM 0 H LEU A 78 6.253 -13.619 6.995 1.00 0.00 H new ATOM 0 HA LEU A 78 8.599 -11.992 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.940 -13.522 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.634 -12.423 4.846 1.00 0.00 H new ATOM 0 HG LEU A 78 8.219 -10.648 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.646 -11.073 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.963 -11.186 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.365 -12.667 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.288 -11.694 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.958 -13.303 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.609 -12.246 2.550 1.00 0.00 H new ATOM 1249 N ILE A 79 5.672 -10.529 6.961 1.00 0.00 N ATOM 1250 CA ILE A 79 5.005 -9.243 7.136 1.00 0.00 C ATOM 1251 C ILE A 79 5.491 -8.567 8.416 1.00 0.00 C ATOM 1252 O ILE A 79 5.901 -7.405 8.400 1.00 0.00 O ATOM 1253 CB ILE A 79 3.474 -9.405 7.201 1.00 0.00 C ATOM 1254 CG1 ILE A 79 2.958 -10.085 5.931 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.798 -8.051 7.398 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.473 -10.368 5.953 1.00 0.00 C ATOM 0 H ILE A 79 5.044 -11.333 6.949 1.00 0.00 H new ATOM 0 HA ILE A 79 5.253 -8.626 6.272 1.00 0.00 H new ATOM 0 HB ILE A 79 3.229 -10.035 8.056 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.186 -9.453 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.495 -11.022 5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.717 -8.187 7.441 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.145 -7.603 8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.048 -7.395 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.181 -10.850 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.240 -11.026 6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.926 -9.432 6.064 1.00 0.00 H new ATOM 1268 N GLU A 80 5.464 -9.321 9.511 1.00 0.00 N ATOM 1269 CA GLU A 80 5.911 -8.835 10.810 1.00 0.00 C ATOM 1270 C GLU A 80 7.336 -8.295 10.737 1.00 0.00 C ATOM 1271 O GLU A 80 7.615 -7.183 11.188 1.00 0.00 O ATOM 1272 CB GLU A 80 5.851 -9.969 11.833 1.00 0.00 C ATOM 1273 CG GLU A 80 4.447 -10.446 12.149 1.00 0.00 C ATOM 1274 CD GLU A 80 4.444 -11.710 12.982 1.00 0.00 C ATOM 1275 OE1 GLU A 80 4.780 -11.643 14.182 1.00 0.00 O ATOM 1276 OE2 GLU A 80 4.122 -12.784 12.432 1.00 0.00 O ATOM 0 H GLU A 80 5.132 -10.285 9.522 1.00 0.00 H new ATOM 0 HA GLU A 80 5.250 -8.024 11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.434 -10.811 11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.326 -9.637 12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.910 -9.661 12.682 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.908 -10.625 11.218 1.00 0.00 H new ATOM 1283 N THR A 81 8.226 -9.078 10.149 1.00 0.00 N ATOM 1284 CA THR A 81 9.637 -8.727 10.092 1.00 0.00 C ATOM 1285 C THR A 81 9.897 -7.553 9.147 1.00 0.00 C ATOM 1286 O THR A 81 10.784 -6.735 9.393 1.00 0.00 O ATOM 1287 CB THR A 81 10.488 -9.943 9.680 1.00 0.00 C ATOM 1288 OG1 THR A 81 9.844 -10.658 8.617 1.00 0.00 O ATOM 1289 CG2 THR A 81 10.709 -10.872 10.863 1.00 0.00 C ATOM 0 H THR A 81 7.995 -9.965 9.702 1.00 0.00 H new ATOM 0 HA THR A 81 9.930 -8.415 11.095 1.00 0.00 H new ATOM 0 HB THR A 81 11.457 -9.581 9.336 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.154 -11.246 8.989 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.312 -11.724 10.549 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.227 -10.333 11.657 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.747 -11.226 11.233 1.00 0.00 H new ATOM 1297 N THR A 82 9.120 -7.457 8.079 1.00 0.00 N ATOM 1298 CA THR A 82 9.258 -6.351 7.139 1.00 0.00 C ATOM 1299 C THR A 82 8.864 -5.025 7.797 1.00 0.00 C ATOM 1300 O THR A 82 9.596 -4.035 7.706 1.00 0.00 O ATOM 1301 CB THR A 82 8.411 -6.580 5.872 1.00 0.00 C ATOM 1302 OG1 THR A 82 8.790 -7.818 5.258 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.599 -5.448 4.874 1.00 0.00 C ATOM 0 H THR A 82 8.390 -8.128 7.841 1.00 0.00 H new ATOM 0 HA THR A 82 10.307 -6.303 6.846 1.00 0.00 H new ATOM 0 HB THR A 82 7.362 -6.612 6.166 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.303 -8.556 5.682 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.989 -5.637 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.294 -4.506 5.330 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.648 -5.388 4.585 1.00 0.00 H new ATOM 1311 N SER A 83 7.723 -5.016 8.479 1.00 0.00 N ATOM 1312 CA SER A 83 7.274 -3.831 9.199 1.00 0.00 C ATOM 1313 C SER A 83 8.242 -3.487 10.329 1.00 0.00 C ATOM 1314 O SER A 83 8.450 -2.315 10.649 1.00 0.00 O ATOM 1315 CB SER A 83 5.868 -4.047 9.760 1.00 0.00 C ATOM 1316 OG SER A 83 4.919 -4.192 8.717 1.00 0.00 O ATOM 0 H SER A 83 7.093 -5.816 8.548 1.00 0.00 H new ATOM 0 HA SER A 83 7.248 -2.997 8.498 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.858 -4.935 10.391 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.592 -3.203 10.392 1.00 0.00 H new ATOM 0 HG SER A 83 4.113 -3.678 8.934 1.00 0.00 H new ATOM 1322 N ASN A 84 8.839 -4.519 10.912 1.00 0.00 N ATOM 1323 CA ASN A 84 9.792 -4.344 11.998 1.00 0.00 C ATOM 1324 C ASN A 84 11.083 -3.722 11.468 1.00 0.00 C ATOM 1325 O ASN A 84 11.691 -2.876 12.121 1.00 0.00 O ATOM 1326 CB ASN A 84 10.078 -5.698 12.658 1.00 0.00 C ATOM 1327 CG ASN A 84 10.480 -5.580 14.118 1.00 0.00 C ATOM 1328 OD1 ASN A 84 11.102 -4.605 14.537 1.00 0.00 O ATOM 1329 ND2 ASN A 84 10.107 -6.575 14.908 1.00 0.00 N ATOM 0 H ASN A 84 8.678 -5.491 10.648 1.00 0.00 H new ATOM 0 HA ASN A 84 9.368 -3.672 12.744 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.191 -6.326 12.582 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.873 -6.202 12.109 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.334 -6.550 15.902 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.592 -7.367 14.523 1.00 0.00 H new ATOM 1336 N LYS A 85 11.483 -4.129 10.264 1.00 0.00 N ATOM 1337 CA LYS A 85 12.696 -3.604 9.638 1.00 0.00 C ATOM 1338 C LYS A 85 12.519 -2.134 9.259 1.00 0.00 C ATOM 1339 O LYS A 85 13.448 -1.334 9.396 1.00 0.00 O ATOM 1340 CB LYS A 85 13.063 -4.423 8.398 1.00 0.00 C ATOM 1341 CG LYS A 85 14.373 -3.992 7.757 1.00 0.00 C ATOM 1342 CD LYS A 85 14.695 -4.807 6.517 1.00 0.00 C ATOM 1343 CE LYS A 85 16.023 -4.379 5.913 1.00 0.00 C ATOM 1344 NZ LYS A 85 16.374 -5.173 4.709 1.00 0.00 N ATOM 0 H LYS A 85 10.985 -4.820 9.703 1.00 0.00 H new ATOM 0 HA LYS A 85 13.507 -3.682 10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.131 -5.475 8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.262 -4.336 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.317 -2.936 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.182 -4.097 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.732 -5.866 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.900 -4.685 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.976 -3.323 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.811 -4.486 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.406 -5.169 4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.044 -6.152 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.919 -4.755 3.873 1.00 0.00 H new ATOM 1358 N LEU A 86 11.327 -1.789 8.781 1.00 0.00 N ATOM 1359 CA LEU A 86 10.994 -0.404 8.453 1.00 0.00 C ATOM 1360 C LEU A 86 11.137 0.474 9.691 1.00 0.00 C ATOM 1361 O LEU A 86 11.678 1.578 9.636 1.00 0.00 O ATOM 1362 CB LEU A 86 9.562 -0.327 7.913 1.00 0.00 C ATOM 1363 CG LEU A 86 9.049 1.079 7.584 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.804 1.670 6.404 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.557 1.047 7.297 1.00 0.00 C ATOM 0 H LEU A 86 10.571 -2.452 8.611 1.00 0.00 H new ATOM 0 HA LEU A 86 11.681 -0.044 7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.500 -0.936 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.892 -0.775 8.647 1.00 0.00 H new ATOM 0 HG LEU A 86 9.223 1.715 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.421 2.668 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.865 1.732 6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.667 1.034 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.209 2.054 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.364 0.392 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.026 0.672 8.172 1.00 0.00 H new ATOM 1377 N LYS A 87 10.663 -0.051 10.812 1.00 0.00 N ATOM 1378 CA LYS A 87 10.737 0.642 12.088 1.00 0.00 C ATOM 1379 C LYS A 87 12.175 0.672 12.610 1.00 0.00 C ATOM 1380 O LYS A 87 12.559 1.582 13.346 1.00 0.00 O ATOM 1381 CB LYS A 87 9.810 -0.051 13.094 1.00 0.00 C ATOM 1382 CG LYS A 87 9.944 0.449 14.522 1.00 0.00 C ATOM 1383 CD LYS A 87 9.003 -0.298 15.448 1.00 0.00 C ATOM 1384 CE LYS A 87 9.326 -0.036 16.910 1.00 0.00 C ATOM 1385 NZ LYS A 87 8.409 -0.769 17.821 1.00 0.00 N ATOM 0 H LYS A 87 10.218 -0.967 10.862 1.00 0.00 H new ATOM 0 HA LYS A 87 10.414 1.674 11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.778 0.084 12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.012 -1.122 13.077 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.972 0.321 14.861 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.726 1.516 14.560 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.976 0.003 15.243 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.068 -1.367 15.247 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.354 -0.334 17.113 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.259 1.033 17.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.663 -0.563 18.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.430 -0.466 17.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.492 -1.791 17.648 1.00 0.00 H new ATOM 1399 N SER A 88 12.967 -0.317 12.214 1.00 0.00 N ATOM 1400 CA SER A 88 14.338 -0.436 12.678 1.00 0.00 C ATOM 1401 C SER A 88 15.174 0.742 12.185 1.00 0.00 C ATOM 1402 O SER A 88 15.572 1.607 12.970 1.00 0.00 O ATOM 1403 CB SER A 88 14.954 -1.751 12.196 1.00 0.00 C ATOM 1404 OG SER A 88 16.094 -2.103 12.961 1.00 0.00 O ATOM 0 H SER A 88 12.678 -1.051 11.568 1.00 0.00 H new ATOM 0 HA SER A 88 14.331 -0.429 13.768 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.212 -2.547 12.260 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.233 -1.660 11.146 1.00 0.00 H new ATOM 0 HG SER A 88 16.463 -2.948 12.629 1.00 0.00 H new ATOM 1410 N ARG A 89 15.451 0.782 10.889 1.00 0.00 N ATOM 1411 CA ARG A 89 16.239 1.871 10.339 1.00 0.00 C ATOM 1412 C ARG A 89 15.356 2.896 9.633 1.00 0.00 C ATOM 1413 O ARG A 89 15.026 3.933 10.202 1.00 0.00 O ATOM 1414 CB ARG A 89 17.288 1.352 9.358 1.00 0.00 C ATOM 1415 CG ARG A 89 18.183 2.459 8.841 1.00 0.00 C ATOM 1416 CD ARG A 89 18.783 2.124 7.490 1.00 0.00 C ATOM 1417 NE ARG A 89 19.449 3.278 6.894 1.00 0.00 N ATOM 1418 CZ ARG A 89 20.275 3.209 5.849 1.00 0.00 C ATOM 1419 NH1 ARG A 89 20.563 2.037 5.299 1.00 0.00 N ATOM 1420 NH2 ARG A 89 20.815 4.315 5.354 1.00 0.00 N ATOM 0 H ARG A 89 15.147 0.084 10.210 1.00 0.00 H new ATOM 0 HA ARG A 89 16.741 2.354 11.178 1.00 0.00 H new ATOM 0 HB2 ARG A 89 17.898 0.593 9.848 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.790 0.867 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.609 3.382 8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 89 18.984 2.641 9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.498 1.309 7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.998 1.771 6.821 1.00 0.00 H new ATOM 0 HE ARG A 89 19.271 4.196 7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.152 1.182 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.195 1.990 4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.599 5.220 5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.447 4.261 4.555 1.00 0.00 H new ATOM 1434 N GLU A 90 14.937 2.550 8.415 1.00 0.00 N ATOM 1435 CA GLU A 90 14.227 3.464 7.512 1.00 0.00 C ATOM 1436 C GLU A 90 13.910 2.747 6.206 1.00 0.00 C ATOM 1437 O GLU A 90 12.791 2.824 5.704 1.00 0.00 O ATOM 1438 CB GLU A 90 15.067 4.710 7.187 1.00 0.00 C ATOM 1439 CG GLU A 90 14.768 5.916 8.062 1.00 0.00 C ATOM 1440 CD GLU A 90 15.556 7.138 7.642 1.00 0.00 C ATOM 1441 OE1 GLU A 90 16.729 7.266 8.052 1.00 0.00 O ATOM 1442 OE2 GLU A 90 15.007 7.985 6.903 1.00 0.00 O ATOM 0 H GLU A 90 15.081 1.620 8.022 1.00 0.00 H new ATOM 0 HA GLU A 90 13.313 3.779 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.123 4.457 7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 90 14.901 4.983 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.702 6.140 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 90 14.999 5.676 9.100 1.00 0.00 H new ATOM 1449 N ILE A 91 14.929 2.048 5.680 1.00 0.00 N ATOM 1450 CA ILE A 91 14.861 1.333 4.393 1.00 0.00 C ATOM 1451 C ILE A 91 14.179 2.169 3.303 1.00 0.00 C ATOM 1452 O ILE A 91 14.280 3.396 3.296 1.00 0.00 O ATOM 1453 CB ILE A 91 14.189 -0.070 4.512 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.711 0.022 4.911 1.00 0.00 C ATOM 1455 CG2 ILE A 91 14.949 -0.921 5.519 1.00 0.00 C ATOM 1456 CD1 ILE A 91 11.974 -1.301 4.825 1.00 0.00 C ATOM 0 H ILE A 91 15.835 1.962 6.141 1.00 0.00 H new ATOM 0 HA ILE A 91 15.897 1.169 4.095 1.00 0.00 H new ATOM 0 HB ILE A 91 14.228 -0.536 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.642 0.401 5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.214 0.747 4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.476 -1.900 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.980 -1.042 5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.936 -0.431 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.935 -1.159 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.011 -1.672 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.446 -2.024 5.491 1.00 0.00 H new ATOM 1468 N THR A 92 13.541 1.506 2.353 1.00 0.00 N ATOM 1469 CA THR A 92 12.825 2.188 1.296 1.00 0.00 C ATOM 1470 C THR A 92 11.446 1.561 1.126 1.00 0.00 C ATOM 1471 O THR A 92 11.293 0.348 1.279 1.00 0.00 O ATOM 1472 CB THR A 92 13.613 2.118 -0.029 1.00 0.00 C ATOM 1473 OG1 THR A 92 14.961 2.551 0.199 1.00 0.00 O ATOM 1474 CG2 THR A 92 12.974 2.996 -1.097 1.00 0.00 C ATOM 0 H THR A 92 13.506 0.488 2.295 1.00 0.00 H new ATOM 0 HA THR A 92 12.711 3.238 1.567 1.00 0.00 H new ATOM 0 HB THR A 92 13.602 1.087 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.465 2.506 -0.640 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.551 2.926 -2.019 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.954 2.660 -1.281 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.959 4.031 -0.756 1.00 0.00 H new ATOM 1482 N PHE A 93 10.447 2.385 0.817 1.00 0.00 N ATOM 1483 CA PHE A 93 9.070 1.917 0.679 1.00 0.00 C ATOM 1484 C PHE A 93 8.971 0.838 -0.397 1.00 0.00 C ATOM 1485 O PHE A 93 8.149 -0.075 -0.307 1.00 0.00 O ATOM 1486 CB PHE A 93 8.151 3.096 0.339 1.00 0.00 C ATOM 1487 CG PHE A 93 6.687 2.750 0.280 1.00 0.00 C ATOM 1488 CD1 PHE A 93 5.914 2.760 1.431 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.082 2.424 -0.924 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.569 2.451 1.381 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.737 2.115 -0.980 1.00 0.00 C ATOM 1492 CZ PHE A 93 3.979 2.127 0.174 1.00 0.00 C ATOM 0 H PHE A 93 10.567 3.385 0.657 1.00 0.00 H new ATOM 0 HA PHE A 93 8.753 1.481 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.296 3.880 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.453 3.510 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.369 3.012 2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.670 2.411 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.978 2.463 2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.279 1.864 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.928 1.884 0.134 1.00 0.00 H new ATOM 1502 N GLN A 94 9.826 0.943 -1.406 1.00 0.00 N ATOM 1503 CA GLN A 94 9.854 -0.030 -2.487 1.00 0.00 C ATOM 1504 C GLN A 94 10.239 -1.412 -1.959 1.00 0.00 C ATOM 1505 O GLN A 94 9.669 -2.416 -2.375 1.00 0.00 O ATOM 1506 CB GLN A 94 10.826 0.418 -3.581 1.00 0.00 C ATOM 1507 CG GLN A 94 10.819 -0.474 -4.811 1.00 0.00 C ATOM 1508 CD GLN A 94 11.632 0.100 -5.952 1.00 0.00 C ATOM 1509 OE1 GLN A 94 11.756 1.318 -6.091 1.00 0.00 O ATOM 1510 NE2 GLN A 94 12.191 -0.772 -6.776 1.00 0.00 N ATOM 0 H GLN A 94 10.510 1.694 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 94 8.855 -0.096 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.577 1.436 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.835 0.445 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.214 -1.455 -4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.791 -0.623 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.062 -1.772 -6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.750 -0.444 -7.563 1.00 0.00 H new ATOM 1519 N GLU A 95 11.185 -1.452 -1.024 1.00 0.00 N ATOM 1520 CA GLU A 95 11.617 -2.714 -0.433 1.00 0.00 C ATOM 1521 C GLU A 95 10.568 -3.217 0.548 1.00 0.00 C ATOM 1522 O GLU A 95 10.297 -4.415 0.629 1.00 0.00 O ATOM 1523 CB GLU A 95 12.960 -2.558 0.283 1.00 0.00 C ATOM 1524 CG GLU A 95 13.558 -3.884 0.723 1.00 0.00 C ATOM 1525 CD GLU A 95 14.858 -3.729 1.479 1.00 0.00 C ATOM 1526 OE1 GLU A 95 15.784 -3.081 0.948 1.00 0.00 O ATOM 1527 OE2 GLU A 95 14.968 -4.287 2.593 1.00 0.00 O ATOM 0 H GLU A 95 11.665 -0.628 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 95 11.739 -3.438 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.662 -2.052 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.828 -1.918 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.839 -4.408 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.728 -4.508 -0.155 1.00 0.00 H new ATOM 1534 N TYR A 96 9.976 -2.285 1.286 1.00 0.00 N ATOM 1535 CA TYR A 96 8.913 -2.600 2.230 1.00 0.00 C ATOM 1536 C TYR A 96 7.770 -3.323 1.520 1.00 0.00 C ATOM 1537 O TYR A 96 7.312 -4.375 1.964 1.00 0.00 O ATOM 1538 CB TYR A 96 8.412 -1.310 2.889 1.00 0.00 C ATOM 1539 CG TYR A 96 7.289 -1.512 3.880 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.481 -2.269 5.028 1.00 0.00 C ATOM 1541 CD2 TYR A 96 6.041 -0.942 3.670 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.460 -2.457 5.937 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.014 -1.122 4.578 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.229 -1.882 5.708 1.00 0.00 C ATOM 1545 OH TYR A 96 4.208 -2.065 6.611 1.00 0.00 O ATOM 0 H TYR A 96 10.218 -1.295 1.247 1.00 0.00 H new ATOM 0 HA TYR A 96 9.304 -3.262 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.247 -0.828 3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.075 -0.626 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.446 -2.718 5.213 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.870 -0.349 2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.625 -3.052 6.823 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.049 -0.670 4.403 1.00 0.00 H new ATOM 0 HH TYR A 96 4.441 -2.792 7.225 1.00 0.00 H new ATOM 1555 N ARG A 97 7.342 -2.767 0.394 1.00 0.00 N ATOM 1556 CA ARG A 97 6.275 -3.366 -0.396 1.00 0.00 C ATOM 1557 C ARG A 97 6.769 -4.623 -1.109 1.00 0.00 C ATOM 1558 O ARG A 97 5.996 -5.545 -1.361 1.00 0.00 O ATOM 1559 CB ARG A 97 5.729 -2.343 -1.400 1.00 0.00 C ATOM 1560 CG ARG A 97 4.529 -2.833 -2.203 1.00 0.00 C ATOM 1561 CD ARG A 97 4.907 -3.174 -3.636 1.00 0.00 C ATOM 1562 NE ARG A 97 5.476 -2.019 -4.331 1.00 0.00 N ATOM 1563 CZ ARG A 97 5.432 -1.839 -5.654 1.00 0.00 C ATOM 1564 NH1 ARG A 97 4.849 -2.738 -6.441 1.00 0.00 N ATOM 1565 NH2 ARG A 97 5.976 -0.758 -6.193 1.00 0.00 N ATOM 0 H ARG A 97 7.718 -1.901 0.007 1.00 0.00 H new ATOM 0 HA ARG A 97 5.466 -3.661 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.447 -1.438 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.526 -2.068 -2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.104 -3.713 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.755 -2.065 -2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.627 -3.992 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.025 -3.524 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 97 5.937 -1.304 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.430 -3.575 -6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.821 -2.591 -7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.428 -0.064 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.943 -0.620 -7.203 1.00 0.00 H new ATOM 1579 N ARG A 98 8.062 -4.663 -1.417 1.00 0.00 N ATOM 1580 CA ARG A 98 8.660 -5.817 -2.082 1.00 0.00 C ATOM 1581 C ARG A 98 8.582 -7.056 -1.198 1.00 0.00 C ATOM 1582 O ARG A 98 8.216 -8.140 -1.656 1.00 0.00 O ATOM 1583 CB ARG A 98 10.124 -5.531 -2.436 1.00 0.00 C ATOM 1584 CG ARG A 98 10.822 -6.694 -3.124 1.00 0.00 C ATOM 1585 CD ARG A 98 10.263 -6.928 -4.515 1.00 0.00 C ATOM 1586 NE ARG A 98 10.674 -8.218 -5.064 1.00 0.00 N ATOM 1587 CZ ARG A 98 11.590 -8.372 -6.020 1.00 0.00 C ATOM 1588 NH1 ARG A 98 12.309 -7.335 -6.436 1.00 0.00 N ATOM 1589 NH2 ARG A 98 11.810 -9.575 -6.528 1.00 0.00 N ATOM 0 H ARG A 98 8.717 -3.908 -1.216 1.00 0.00 H new ATOM 0 HA ARG A 98 8.098 -6.004 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.168 -4.656 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.667 -5.280 -1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.891 -6.492 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.704 -7.597 -2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.175 -6.880 -4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.597 -6.130 -5.178 1.00 0.00 H new ATOM 0 HE ARG A 98 10.230 -9.057 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.162 -6.414 -6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.008 -7.460 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.280 -10.377 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.510 -9.699 -7.260 1.00 0.00 H new ATOM 1603 N ASN A 99 8.925 -6.889 0.072 1.00 0.00 N ATOM 1604 CA ASN A 99 8.933 -8.007 1.006 1.00 0.00 C ATOM 1605 C ASN A 99 7.515 -8.410 1.379 1.00 0.00 C ATOM 1606 O ASN A 99 7.250 -9.577 1.658 1.00 0.00 O ATOM 1607 CB ASN A 99 9.744 -7.665 2.256 1.00 0.00 C ATOM 1608 CG ASN A 99 11.211 -7.446 1.948 1.00 0.00 C ATOM 1609 OD1 ASN A 99 11.748 -8.006 0.988 1.00 0.00 O ATOM 1610 ND2 ASN A 99 11.877 -6.636 2.756 1.00 0.00 N ATOM 0 H ASN A 99 9.200 -5.995 0.478 1.00 0.00 H new ATOM 0 HA ASN A 99 9.409 -8.855 0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.334 -6.767 2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.644 -8.471 2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.868 -6.457 2.595 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.399 -6.191 3.539 1.00 0.00 H new ATOM 1617 N LEU A 100 6.602 -7.446 1.368 1.00 0.00 N ATOM 1618 CA LEU A 100 5.191 -7.739 1.586 1.00 0.00 C ATOM 1619 C LEU A 100 4.661 -8.634 0.475 1.00 0.00 C ATOM 1620 O LEU A 100 3.944 -9.600 0.731 1.00 0.00 O ATOM 1621 CB LEU A 100 4.382 -6.443 1.671 1.00 0.00 C ATOM 1622 CG LEU A 100 4.511 -5.694 2.995 1.00 0.00 C ATOM 1623 CD1 LEU A 100 3.860 -4.327 2.902 1.00 0.00 C ATOM 1624 CD2 LEU A 100 3.875 -6.501 4.115 1.00 0.00 C ATOM 0 H LEU A 100 6.812 -6.460 1.211 1.00 0.00 H new ATOM 0 HA LEU A 100 5.086 -8.268 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.696 -5.782 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.331 -6.676 1.502 1.00 0.00 H new ATOM 0 HG LEU A 100 5.570 -5.557 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.963 -3.809 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.346 -3.745 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.803 -4.443 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.972 -5.958 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.819 -6.659 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.377 -7.465 4.199 1.00 0.00 H new ATOM 1636 N ALA A 101 5.039 -8.323 -0.759 1.00 0.00 N ATOM 1637 CA ALA A 101 4.669 -9.149 -1.899 1.00 0.00 C ATOM 1638 C ALA A 101 5.216 -10.559 -1.727 1.00 0.00 C ATOM 1639 O ALA A 101 4.521 -11.543 -1.962 1.00 0.00 O ATOM 1640 CB ALA A 101 5.185 -8.531 -3.190 1.00 0.00 C ATOM 0 H ALA A 101 5.601 -7.505 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 101 3.582 -9.203 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.901 -9.160 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.753 -7.538 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.271 -8.452 -3.147 1.00 0.00 H new ATOM 1646 N LYS A 102 6.454 -10.642 -1.268 1.00 0.00 N ATOM 1647 CA LYS A 102 7.117 -11.923 -1.064 1.00 0.00 C ATOM 1648 C LYS A 102 6.482 -12.694 0.097 1.00 0.00 C ATOM 1649 O LYS A 102 6.737 -13.881 0.282 1.00 0.00 O ATOM 1650 CB LYS A 102 8.613 -11.690 -0.823 1.00 0.00 C ATOM 1651 CG LYS A 102 9.434 -12.963 -0.686 1.00 0.00 C ATOM 1652 CD LYS A 102 10.922 -12.679 -0.813 1.00 0.00 C ATOM 1653 CE LYS A 102 11.390 -11.625 0.178 1.00 0.00 C ATOM 1654 NZ LYS A 102 12.837 -11.320 0.012 1.00 0.00 N ATOM 0 H LYS A 102 7.025 -9.832 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 102 6.995 -12.533 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.014 -11.101 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.734 -11.095 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.231 -13.426 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.132 -13.677 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.481 -13.601 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.142 -12.345 -1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.808 -10.714 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.205 -11.973 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.121 -10.597 0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.394 -12.185 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.009 -10.964 -0.950 1.00 0.00 H new ATOM 1668 N ALA A 103 5.646 -12.022 0.871 1.00 0.00 N ATOM 1669 CA ALA A 103 4.923 -12.668 1.957 1.00 0.00 C ATOM 1670 C ALA A 103 3.582 -13.198 1.466 1.00 0.00 C ATOM 1671 O ALA A 103 2.887 -13.924 2.177 1.00 0.00 O ATOM 1672 CB ALA A 103 4.721 -11.697 3.106 1.00 0.00 C ATOM 0 H ALA A 103 5.450 -11.026 0.768 1.00 0.00 H new ATOM 0 HA ALA A 103 5.515 -13.511 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.179 -12.193 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.691 -11.362 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.148 -10.837 2.759 1.00 0.00 H new ATOM 1678 N GLY A 104 3.224 -12.836 0.245 1.00 0.00 N ATOM 1679 CA GLY A 104 1.970 -13.284 -0.316 1.00 0.00 C ATOM 1680 C GLY A 104 0.938 -12.181 -0.351 1.00 0.00 C ATOM 1681 O GLY A 104 -0.195 -12.399 -0.780 1.00 0.00 O ATOM 0 H GLY A 104 3.780 -12.239 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.138 -13.656 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.588 -14.119 0.271 1.00 0.00 H new ATOM 1685 N VAL A 105 1.329 -10.994 0.099 1.00 0.00 N ATOM 1686 CA VAL A 105 0.432 -9.850 0.088 1.00 0.00 C ATOM 1687 C VAL A 105 0.222 -9.368 -1.341 1.00 0.00 C ATOM 1688 O VAL A 105 1.128 -8.820 -1.970 1.00 0.00 O ATOM 1689 CB VAL A 105 0.962 -8.684 0.951 1.00 0.00 C ATOM 1690 CG1 VAL A 105 -0.016 -7.517 0.942 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.217 -9.146 2.376 1.00 0.00 C ATOM 0 H VAL A 105 2.258 -10.802 0.474 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.515 -10.178 0.517 1.00 0.00 H new ATOM 0 HB VAL A 105 1.905 -8.347 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.378 -6.707 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.152 -7.164 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.975 -7.843 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.590 -8.310 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.288 -9.513 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.957 -9.947 2.372 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.970 -9.604 -1.852 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.312 -9.220 -3.211 1.00 0.00 C ATOM 1703 C PHE A 106 -2.223 -7.997 -3.192 1.00 0.00 C ATOM 1704 O PHE A 106 -2.258 -7.215 -4.145 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.995 -10.394 -3.919 1.00 0.00 C ATOM 1706 CG PHE A 106 -2.398 -10.110 -5.337 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -1.444 -9.987 -6.331 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -3.735 -9.967 -5.672 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -1.817 -9.726 -7.637 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -4.113 -9.708 -6.974 1.00 0.00 C ATOM 1711 CZ PHE A 106 -3.153 -9.587 -7.958 1.00 0.00 C ATOM 0 H PHE A 106 -1.725 -10.064 -1.343 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.404 -8.963 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.321 -11.251 -3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.881 -10.679 -3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.398 -10.096 -6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.490 -10.059 -4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -1.064 -9.631 -8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.159 -9.600 -7.222 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.446 -9.384 -8.977 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.934 -7.827 -2.087 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.892 -6.744 -1.946 1.00 0.00 C ATOM 1723 C ARG A 107 -3.551 -5.867 -0.745 1.00 0.00 C ATOM 1724 O ARG A 107 -3.857 -6.209 0.398 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.308 -7.309 -1.806 1.00 0.00 C ATOM 1726 CG ARG A 107 -5.858 -7.897 -3.098 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.119 -8.716 -2.857 1.00 0.00 C ATOM 1728 NE ARG A 107 -8.099 -8.009 -2.030 1.00 0.00 N ATOM 1729 CZ ARG A 107 -9.387 -7.873 -2.353 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -9.833 -8.295 -3.531 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -10.230 -7.299 -1.500 1.00 0.00 N ATOM 0 H ARG A 107 -2.863 -8.432 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.844 -6.125 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.308 -8.081 -1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.974 -6.517 -1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.077 -7.092 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.099 -8.527 -3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.573 -8.969 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.851 -9.655 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.778 -7.596 -1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.190 -8.726 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.818 -8.188 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.893 -6.962 -0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.214 -7.195 -1.747 1.00 0.00 H new ATOM 1745 N TRP A 108 -2.891 -4.753 -1.022 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.569 -3.758 -0.010 1.00 0.00 C ATOM 1747 C TRP A 108 -3.776 -2.841 0.181 1.00 0.00 C ATOM 1748 O TRP A 108 -4.022 -1.948 -0.627 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.332 -2.964 -0.469 1.00 0.00 C ATOM 1750 CG TRP A 108 -0.860 -1.878 0.457 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.611 -0.918 1.070 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.498 -1.614 0.823 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.808 -0.093 1.814 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.492 -0.497 1.678 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.718 -2.223 0.520 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.660 0.027 2.227 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.875 -1.701 1.063 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.839 -0.590 1.910 1.00 0.00 C ATOM 0 H TRP A 108 -2.563 -4.513 -1.957 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.340 -4.233 0.944 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.512 -3.665 -0.621 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.552 -2.516 -1.438 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.683 -0.822 0.982 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.128 0.695 2.378 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.756 -3.087 -0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.636 0.888 2.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.825 -2.159 0.829 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.762 -0.210 2.323 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.540 -3.075 1.233 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.766 -2.324 1.451 1.00 0.00 C ATOM 1771 C VAL A 109 -5.648 -1.431 2.679 1.00 0.00 C ATOM 1772 O VAL A 109 -5.739 -1.896 3.810 1.00 0.00 O ATOM 1773 CB VAL A 109 -6.979 -3.268 1.613 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.269 -2.474 1.704 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.046 -4.255 0.460 1.00 0.00 C ATOM 0 H VAL A 109 -4.336 -3.775 1.947 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.923 -1.699 0.572 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.853 -3.827 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.110 -3.158 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.225 -1.806 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.399 -1.886 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.906 -4.911 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.145 -3.711 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.134 -4.852 0.439 1.00 0.00 H new ATOM 1785 N THR A 110 -5.418 -0.149 2.458 1.00 0.00 N ATOM 1786 CA THR A 110 -5.334 0.792 3.562 1.00 0.00 C ATOM 1787 C THR A 110 -6.654 1.529 3.737 1.00 0.00 C ATOM 1788 O THR A 110 -7.047 2.334 2.887 1.00 0.00 O ATOM 1789 CB THR A 110 -4.202 1.813 3.363 1.00 0.00 C ATOM 1790 OG1 THR A 110 -2.965 1.129 3.124 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.055 2.713 4.582 1.00 0.00 C ATOM 0 H THR A 110 -5.287 0.262 1.534 1.00 0.00 H new ATOM 0 HA THR A 110 -5.115 0.212 4.459 1.00 0.00 H new ATOM 0 HB THR A 110 -4.453 2.433 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.014 0.653 2.269 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.247 3.425 4.413 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.986 3.254 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.826 2.105 5.457 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.339 1.232 4.832 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.609 1.865 5.140 1.00 0.00 C ATOM 1801 C ASN A 111 -8.375 3.133 5.942 1.00 0.00 C ATOM 1802 O ASN A 111 -8.160 3.076 7.152 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.520 0.910 5.929 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.076 -0.220 5.078 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -9.487 -0.603 4.070 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.204 -0.781 5.494 1.00 0.00 N ATOM 0 H ASN A 111 -7.031 0.551 5.526 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.103 2.116 4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -8.959 0.487 6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.347 1.476 6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.610 -1.557 4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.665 -0.436 6.336 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.393 4.273 5.261 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.216 5.559 5.923 1.00 0.00 C ATOM 1815 C ILE A 112 -9.411 5.830 6.828 1.00 0.00 C ATOM 1816 O ILE A 112 -9.290 6.467 7.875 1.00 0.00 O ATOM 1817 CB ILE A 112 -8.059 6.709 4.897 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.867 6.437 3.971 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.889 8.052 5.600 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.544 6.297 4.697 1.00 0.00 C ATOM 0 H ILE A 112 -8.528 4.333 4.252 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.303 5.516 6.516 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.968 6.754 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.059 5.524 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.789 7.249 3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.781 8.841 4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.765 8.253 6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.000 8.023 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.751 6.106 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.327 7.217 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.601 5.467 5.401 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.554 5.286 6.425 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.790 5.385 7.193 1.00 0.00 C ATOM 1834 C HIS A 113 -11.656 4.688 8.555 1.00 0.00 C ATOM 1835 O HIS A 113 -12.466 4.908 9.457 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.935 4.758 6.386 1.00 0.00 C ATOM 1837 CG HIS A 113 -14.285 4.882 7.021 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -15.054 3.793 7.366 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -15.009 5.974 7.356 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -16.191 4.210 7.886 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -16.190 5.527 7.892 1.00 0.00 N ATOM 0 H HIS A 113 -10.650 4.763 5.555 1.00 0.00 H new ATOM 0 HA HIS A 113 -12.003 6.437 7.380 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.967 5.225 5.402 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.717 3.701 6.231 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.713 7.004 7.226 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.989 3.578 8.247 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -16.945 6.119 8.239 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.639 3.847 8.699 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.436 3.103 9.937 1.00 0.00 C ATOM 1852 C GLU A 114 -9.034 3.316 10.501 1.00 0.00 C ATOM 1853 O GLU A 114 -8.714 2.815 11.581 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.662 1.615 9.691 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.096 1.269 9.345 1.00 0.00 C ATOM 1856 CD GLU A 114 -12.274 -0.199 9.042 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -12.126 -1.021 9.972 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -12.569 -0.539 7.878 1.00 0.00 O ATOM 0 H GLU A 114 -9.943 3.663 7.976 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.155 3.475 10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.012 1.286 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.367 1.059 10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.745 1.548 10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.411 1.857 8.483 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.207 4.051 9.756 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.823 4.332 10.145 1.00 0.00 C ATOM 1867 C GLN A 115 -6.043 3.030 10.362 1.00 0.00 C ATOM 1868 O GLN A 115 -5.183 2.940 11.241 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.791 5.205 11.407 1.00 0.00 C ATOM 1870 CG GLN A 115 -5.631 6.193 11.440 1.00 0.00 C ATOM 1871 CD GLN A 115 -5.730 7.242 10.344 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -5.143 6.955 9.194 1.00 0.00 O flip ATOM 1873 NE2 GLN A 115 -6.322 8.307 10.528 1.00 0.00 N flip ATOM 0 H GLN A 115 -8.477 4.469 8.866 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.341 4.880 9.335 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.728 5.756 11.480 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.732 4.559 12.283 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -5.606 6.688 12.411 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -4.692 5.650 11.335 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -6.764 8.496 11.428 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -6.370 8.999 9.781 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.332 2.029 9.536 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.675 0.724 9.631 1.00 0.00 C ATOM 1884 C LYS A 116 -5.241 0.242 8.250 1.00 0.00 C ATOM 1885 O LYS A 116 -5.856 0.597 7.241 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.614 -0.313 10.260 1.00 0.00 C ATOM 1887 CG LYS A 116 -6.902 -0.087 11.739 1.00 0.00 C ATOM 1888 CD LYS A 116 -7.961 -1.054 12.250 1.00 0.00 C ATOM 1889 CE LYS A 116 -9.293 -0.819 11.558 1.00 0.00 C ATOM 1890 NZ LYS A 116 -10.315 -1.838 11.915 1.00 0.00 N ATOM 0 H LYS A 116 -7.022 2.095 8.787 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.796 0.838 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.557 -0.309 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.177 -1.304 10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -5.984 -0.212 12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.238 0.938 11.894 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -7.634 -2.080 12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.080 -0.933 13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.665 0.171 11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.142 -0.825 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.476 -2.467 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.980 -2.397 12.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -11.205 -1.363 12.167 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.187 -0.560 8.204 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.706 -1.106 6.942 1.00 0.00 C ATOM 1906 C ARG A 117 -3.896 -2.619 6.911 1.00 0.00 C ATOM 1907 O ARG A 117 -3.338 -3.344 7.737 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.231 -0.757 6.740 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.733 -1.002 5.325 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.232 -0.784 5.215 1.00 0.00 C ATOM 1911 NE ARG A 117 0.176 0.575 5.575 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.290 0.846 6.258 1.00 0.00 C ATOM 1913 NH1 ARG A 117 2.047 -0.148 6.707 1.00 0.00 N ATOM 1914 NH2 ARG A 117 1.644 2.108 6.503 1.00 0.00 N ATOM 0 H ARG A 117 -3.650 -0.847 9.022 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.285 -0.664 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.077 0.292 6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.630 -1.344 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.976 -2.021 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.250 -0.334 4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 117 0.281 -1.495 5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 117 0.086 -0.995 4.194 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.420 1.352 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.777 -1.115 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.899 0.056 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.062 2.875 6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.497 2.306 7.026 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.688 -3.086 5.960 1.00 0.00 N ATOM 1929 CA TYR A 118 -4.980 -4.505 5.829 1.00 0.00 C ATOM 1930 C TYR A 118 -4.088 -5.142 4.773 1.00 0.00 C ATOM 1931 O TYR A 118 -3.883 -4.580 3.695 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.447 -4.719 5.451 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.436 -4.251 6.497 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.838 -2.921 6.556 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -7.969 -5.141 7.419 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.742 -2.493 7.508 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -8.875 -4.719 8.373 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.256 -3.394 8.412 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.156 -2.971 9.359 1.00 0.00 O ATOM 0 H TYR A 118 -5.144 -2.498 5.262 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.785 -4.977 6.792 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.649 -4.195 4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.610 -5.780 5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.437 -2.212 5.847 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.671 -6.179 7.390 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.044 -1.457 7.543 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.282 -5.423 9.084 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.391 -2.034 9.192 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.551 -6.308 5.089 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.723 -7.045 4.150 1.00 0.00 C ATOM 1951 C TYR A 119 -3.445 -8.315 3.713 1.00 0.00 C ATOM 1952 O TYR A 119 -3.588 -9.257 4.494 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.374 -7.394 4.784 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.617 -6.189 5.295 1.00 0.00 C ATOM 1955 CD1 TYR A 119 0.049 -5.342 4.420 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.577 -5.895 6.652 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.734 -4.237 4.881 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.110 -4.794 7.123 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.763 -3.966 6.234 1.00 0.00 C ATOM 1960 OH TYR A 119 1.436 -2.860 6.698 1.00 0.00 O ATOM 0 H TYR A 119 -3.674 -6.766 5.992 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.540 -6.420 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.538 -8.087 5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.760 -7.914 4.049 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.031 -5.552 3.361 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.092 -6.538 7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.245 -3.587 4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.136 -4.582 8.182 1.00 0.00 H new ATOM 0 HH TYR A 119 2.385 -2.934 6.467 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.922 -8.322 2.475 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.624 -9.479 1.932 1.00 0.00 C ATOM 1972 C TYR A 120 -3.782 -10.176 0.879 1.00 0.00 C ATOM 1973 O TYR A 120 -3.061 -9.532 0.114 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.956 -9.069 1.299 1.00 0.00 C ATOM 1975 CG TYR A 120 -7.030 -8.669 2.284 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.891 -9.620 2.820 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.197 -7.344 2.663 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.889 -9.260 3.705 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.190 -6.980 3.551 1.00 0.00 C ATOM 1980 CZ TYR A 120 -9.033 -7.938 4.067 1.00 0.00 C ATOM 1981 OH TYR A 120 -10.029 -7.573 4.945 1.00 0.00 O ATOM 0 H TYR A 120 -3.836 -7.539 1.827 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.812 -10.159 2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.778 -8.236 0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.326 -9.898 0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.778 -10.657 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.541 -6.587 2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.552 -10.010 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.305 -5.946 3.840 1.00 0.00 H new ATOM 0 HH TYR A 120 -9.993 -6.605 5.096 1.00 0.00 H new ATOM 1991 N THR A 121 -3.875 -11.488 0.847 1.00 0.00 N ATOM 1992 CA THR A 121 -3.266 -12.268 -0.213 1.00 0.00 C ATOM 1993 C THR A 121 -4.272 -12.433 -1.353 1.00 0.00 C ATOM 1994 O THR A 121 -5.421 -12.006 -1.229 1.00 0.00 O ATOM 1995 CB THR A 121 -2.805 -13.650 0.313 1.00 0.00 C ATOM 1996 OG1 THR A 121 -2.203 -14.419 -0.738 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.972 -14.423 0.914 1.00 0.00 C ATOM 0 H THR A 121 -4.369 -12.041 1.547 1.00 0.00 H new ATOM 0 HA THR A 121 -2.383 -11.745 -0.581 1.00 0.00 H new ATOM 0 HB THR A 121 -2.064 -13.476 1.093 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.385 -13.973 -1.042 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.621 -15.389 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.395 -13.857 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.737 -14.577 0.153 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.855 -13.041 -2.457 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.759 -13.283 -3.578 1.00 0.00 C ATOM 2007 C PHE A 122 -5.785 -14.350 -3.204 1.00 0.00 C ATOM 2008 O PHE A 122 -6.808 -14.509 -3.864 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.977 -13.701 -4.830 1.00 0.00 C ATOM 2010 CG PHE A 122 -3.043 -14.857 -4.610 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -3.488 -16.161 -4.752 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -1.720 -14.637 -4.266 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -2.631 -17.223 -4.551 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -0.859 -15.696 -4.064 1.00 0.00 C ATOM 2015 CZ PHE A 122 -1.315 -16.991 -4.207 1.00 0.00 C ATOM 0 H PHE A 122 -2.902 -13.375 -2.601 1.00 0.00 H new ATOM 0 HA PHE A 122 -5.285 -12.355 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.684 -13.963 -5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.403 -12.847 -5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.517 -16.348 -5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.358 -13.626 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -2.990 -18.235 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 122 0.170 -15.512 -3.794 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.643 -17.821 -4.050 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.491 -15.073 -2.129 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.409 -16.064 -1.574 1.00 0.00 C ATOM 2027 C ASP A 123 -7.505 -15.361 -0.768 1.00 0.00 C ATOM 2028 O ASP A 123 -8.452 -15.988 -0.293 1.00 0.00 O ATOM 2029 CB ASP A 123 -5.614 -17.039 -0.700 1.00 0.00 C ATOM 2030 CG ASP A 123 -6.446 -18.167 -0.120 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -7.172 -18.834 -0.882 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -6.332 -18.424 1.098 1.00 0.00 O ATOM 0 H ASP A 123 -4.612 -14.990 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.892 -16.624 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.805 -17.466 -1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.152 -16.485 0.117 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.351 -14.040 -0.630 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.316 -13.176 0.060 1.00 0.00 C ATOM 2039 C ASN A 124 -8.434 -13.512 1.539 1.00 0.00 C ATOM 2040 O ASN A 124 -9.381 -13.095 2.208 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.689 -13.222 -0.616 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.733 -12.380 -1.875 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -9.026 -11.378 -1.992 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -10.565 -12.776 -2.824 1.00 0.00 N ATOM 0 H ASN A 124 -6.545 -13.535 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.932 -12.158 -0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.937 -14.254 -0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.448 -12.869 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -10.638 -12.245 -3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -11.133 -13.612 -2.688 1.00 0.00 H new ATOM 2051 N SER A 125 -7.466 -14.249 2.050 1.00 0.00 N ATOM 2052 CA SER A 125 -7.387 -14.513 3.471 1.00 0.00 C ATOM 2053 C SER A 125 -6.616 -13.376 4.131 1.00 0.00 C ATOM 2054 O SER A 125 -5.507 -13.047 3.700 1.00 0.00 O ATOM 2055 CB SER A 125 -6.700 -15.862 3.725 1.00 0.00 C ATOM 2056 OG SER A 125 -6.739 -16.222 5.099 1.00 0.00 O ATOM 0 H SER A 125 -6.722 -14.676 1.499 1.00 0.00 H new ATOM 0 HA SER A 125 -8.388 -14.568 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.188 -16.636 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.663 -15.811 3.392 1.00 0.00 H new ATOM 0 HG SER A 125 -6.294 -17.086 5.223 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.221 -12.744 5.132 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.566 -11.651 5.841 1.00 0.00 C ATOM 2064 C LEU A 126 -5.277 -12.137 6.485 1.00 0.00 C ATOM 2065 O LEU A 126 -5.293 -12.978 7.388 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.491 -11.053 6.903 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.899 -9.889 7.704 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.576 -8.719 6.788 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.855 -9.459 8.807 1.00 0.00 C ATOM 0 H LEU A 126 -8.157 -12.968 5.469 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.329 -10.872 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.404 -10.710 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.778 -11.842 7.598 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.972 -10.227 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.157 -7.902 7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.852 -9.034 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.487 -8.381 6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.418 -8.631 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.800 -9.140 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.034 -10.297 9.481 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.161 -11.609 6.007 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.855 -12.020 6.487 1.00 0.00 C ATOM 2083 C LEU A 127 -2.502 -11.273 7.756 1.00 0.00 C ATOM 2084 O LEU A 127 -2.213 -11.875 8.782 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.782 -11.753 5.429 1.00 0.00 C ATOM 2086 CG LEU A 127 -2.023 -12.415 4.078 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.856 -12.150 3.143 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -2.235 -13.902 4.255 1.00 0.00 C ATOM 0 H LEU A 127 -4.136 -10.891 5.283 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.893 -13.089 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.703 -10.676 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.821 -12.093 5.816 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.922 -11.987 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.043 -12.629 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.744 -11.076 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.058 -12.554 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.406 -14.363 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.351 -14.343 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.101 -14.072 4.895 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.544 -9.958 7.679 1.00 0.00 N ATOM 2101 CA PHE A 128 -2.132 -9.130 8.792 1.00 0.00 C ATOM 2102 C PHE A 128 -2.891 -7.810 8.759 1.00 0.00 C ATOM 2103 O PHE A 128 -3.371 -7.385 7.707 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.618 -8.888 8.699 1.00 0.00 C ATOM 2105 CG PHE A 128 0.041 -8.551 10.004 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.504 -9.557 10.838 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.217 -7.232 10.392 1.00 0.00 C ATOM 2108 CE1 PHE A 128 1.124 -9.254 12.035 1.00 0.00 C ATOM 2109 CE2 PHE A 128 0.837 -6.923 11.585 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.292 -7.935 12.409 1.00 0.00 C ATOM 0 H PHE A 128 -2.859 -9.441 6.858 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.356 -9.630 9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -0.145 -9.780 8.288 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.435 -8.077 7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.379 -10.590 10.549 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -0.136 -6.436 9.752 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.477 -10.047 12.677 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.967 -5.891 11.875 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.778 -7.695 13.343 1.00 0.00 H new ATOM 2120 N THR A 129 -3.029 -7.184 9.911 1.00 0.00 N ATOM 2121 CA THR A 129 -3.640 -5.871 9.997 1.00 0.00 C ATOM 2122 C THR A 129 -2.795 -4.976 10.888 1.00 0.00 C ATOM 2123 O THR A 129 -2.733 -5.170 12.102 1.00 0.00 O ATOM 2124 CB THR A 129 -5.080 -5.951 10.541 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.843 -6.860 9.738 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.746 -4.579 10.534 1.00 0.00 C ATOM 0 H THR A 129 -2.724 -7.566 10.806 1.00 0.00 H new ATOM 0 HA THR A 129 -3.689 -5.451 8.992 1.00 0.00 H new ATOM 0 HB THR A 129 -5.041 -6.307 11.571 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.422 -6.353 9.131 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.761 -4.665 10.923 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.174 -3.894 11.160 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.780 -4.196 9.514 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.116 -4.025 10.276 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.225 -3.142 11.004 1.00 0.00 C ATOM 2136 C GLU A 130 -1.829 -1.750 11.099 1.00 0.00 C ATOM 2137 O GLU A 130 -2.049 -1.082 10.086 1.00 0.00 O ATOM 2138 CB GLU A 130 0.146 -3.103 10.318 1.00 0.00 C ATOM 2139 CG GLU A 130 1.178 -2.232 11.020 1.00 0.00 C ATOM 2140 CD GLU A 130 2.594 -2.520 10.557 1.00 0.00 C ATOM 2141 OE1 GLU A 130 2.836 -2.544 9.329 1.00 0.00 O ATOM 2142 OE2 GLU A 130 3.476 -2.720 11.423 1.00 0.00 O ATOM 0 H GLU A 130 -2.165 -3.844 9.273 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.091 -3.521 12.017 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.533 -4.120 10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.018 -2.742 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 130 0.946 -1.182 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.112 -2.392 12.096 1.00 0.00 H new ATOM 2149 N SER A 131 -2.143 -1.338 12.317 1.00 0.00 N ATOM 2150 CA SER A 131 -2.673 -0.010 12.560 1.00 0.00 C ATOM 2151 C SER A 131 -1.585 1.026 12.323 1.00 0.00 C ATOM 2152 O SER A 131 -0.512 0.959 12.924 1.00 0.00 O ATOM 2153 CB SER A 131 -3.200 0.084 13.993 1.00 0.00 C ATOM 2154 OG SER A 131 -4.132 -0.954 14.258 1.00 0.00 O ATOM 0 H SER A 131 -2.038 -1.909 13.155 1.00 0.00 H new ATOM 0 HA SER A 131 -3.497 0.184 11.873 1.00 0.00 H new ATOM 0 HB2 SER A 131 -2.369 0.020 14.695 1.00 0.00 H new ATOM 0 HB3 SER A 131 -3.675 1.053 14.148 1.00 0.00 H new ATOM 0 HG SER A 131 -4.455 -0.876 15.180 1.00 0.00 H new ATOM 2160 N ILE A 132 -1.854 1.970 11.435 1.00 0.00 N ATOM 2161 CA ILE A 132 -0.860 2.959 11.065 1.00 0.00 C ATOM 2162 C ILE A 132 -0.648 3.987 12.174 1.00 0.00 C ATOM 2163 O ILE A 132 -1.372 4.984 12.271 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.202 3.653 9.727 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -2.692 4.009 9.650 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -0.809 2.758 8.562 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.094 4.661 8.343 1.00 0.00 C ATOM 0 H ILE A 132 -2.751 2.070 10.959 1.00 0.00 H new ATOM 0 HA ILE A 132 0.078 2.421 10.924 1.00 0.00 H new ATOM 0 HB ILE A 132 -0.635 4.582 9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.281 3.103 9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -2.939 4.680 10.472 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.053 3.255 7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 132 0.262 2.561 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.354 1.816 8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.161 4.884 8.361 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.532 5.585 8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.879 3.983 7.517 1.00 0.00 H new ATOM 2179 N GLN A 133 0.329 3.682 13.030 1.00 0.00 N ATOM 2180 CA GLN A 133 0.779 4.562 14.112 1.00 0.00 C ATOM 2181 C GLN A 133 -0.188 4.549 15.294 1.00 0.00 C ATOM 2182 O GLN A 133 0.209 4.240 16.417 1.00 0.00 O ATOM 2183 CB GLN A 133 0.989 5.996 13.609 1.00 0.00 C ATOM 2184 CG GLN A 133 1.801 6.870 14.556 1.00 0.00 C ATOM 2185 CD GLN A 133 3.218 6.358 14.751 1.00 0.00 C ATOM 2186 OE1 GLN A 133 3.761 5.711 13.729 1.00 0.00 O flip ATOM 2187 NE2 GLN A 133 3.820 6.551 15.806 1.00 0.00 N flip ATOM 0 H GLN A 133 0.840 2.800 12.991 1.00 0.00 H new ATOM 0 HA GLN A 133 1.736 4.174 14.460 1.00 0.00 H new ATOM 0 HB2 GLN A 133 1.491 5.961 12.642 1.00 0.00 H new ATOM 0 HB3 GLN A 133 0.016 6.460 13.447 1.00 0.00 H new ATOM 0 HG2 GLN A 133 1.836 7.887 14.166 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.299 6.917 15.522 1.00 0.00 H new ATOM 0 HE21 GLN A 133 3.365 7.054 16.568 1.00 0.00 H new ATOM 0 HE22 GLN A 133 4.774 6.208 15.919 1.00 0.00 H new TER 2196 GLN A 133