USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 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 Single : A 5 MET CE :methyl -116:sc= -0.165 (180deg=-0.799) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 10 ASN : amide:sc= 0.053! X(o=0.053!,f=-0.2) USER MOD Single : A 11 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.3) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0484) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 20 LYS NZ :NH3+ -122:sc= 1.22 (180deg=0.0438) USER MOD Single : A 24 SER OG : rot -50:sc= 0.0622 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -2.17 F(o=-4.9!,f=-2.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -156:sc= 1.18 USER MOD Single : A 43 MET CE :methyl -174:sc= -1.37 (180deg=-1.54!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 53 ASN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= -2.04! (180deg=-3.87!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.995 F(o=-3.6!,f=-1) USER MOD Single : A 69 HIS :FLIP no HE2:sc= -0.22 F(o=-2.2,f=-0.22) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.0501 F(o=-0.71,f=-0.05) USER MOD Single : A 72 ASN : amide:sc= 1.08 K(o=1.1,f=-1.3!) USER MOD Single : A 74 LYS NZ :NH3+ 147:sc= -1.42 (180deg=-3.66!) USER MOD Single : A 78 MET CE :methyl 169:sc= -3.48! (180deg=-3.72!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -154:sc= 0 (180deg=-0.584) USER MOD Single : A 88 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.6) USER MOD Single : A 89 GLN :FLIP amide:sc= -1.06 F(o=-3.5!,f=-1.1) USER MOD Single : A 95 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= -0.0495 (180deg=-0.292) USER MOD Single : A 100 SER OG : rot 76:sc= 0.252 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.22) USER MOD Single : A 109 MET CE :methyl -162:sc= -0.142 (180deg=-0.718) USER MOD Single : A 110 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.2) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -141:sc= -0.0788 (180deg=-0.826) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 164:sc= 1.38 (180deg=1.18) USER MOD Single : A 123 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.029) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -9.975 -15.706 -0.952 1.00 0.00 N ATOM 15 CA PRO A 2 -10.214 -14.281 -1.148 1.00 0.00 C ATOM 16 C PRO A 2 -9.860 -13.451 0.083 1.00 0.00 C ATOM 17 O PRO A 2 -9.977 -12.227 0.065 1.00 0.00 O ATOM 18 CB PRO A 2 -11.716 -14.242 -1.406 1.00 0.00 C ATOM 19 CG PRO A 2 -12.271 -15.353 -0.573 1.00 0.00 C ATOM 20 CD PRO A 2 -11.175 -16.383 -0.422 1.00 0.00 C ATOM 0 HA PRO A 2 -9.604 -13.859 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.143 -13.281 -1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.941 -14.388 -2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.589 -14.982 0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.148 -15.791 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.042 -16.675 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.401 -17.291 -0.981 1.00 0.00 H new ATOM 28 N GLU A 3 -9.410 -14.139 1.131 1.00 0.00 N ATOM 29 CA GLU A 3 -9.155 -13.528 2.438 1.00 0.00 C ATOM 30 C GLU A 3 -8.296 -12.271 2.334 1.00 0.00 C ATOM 31 O GLU A 3 -8.789 -11.164 2.547 1.00 0.00 O ATOM 32 CB GLU A 3 -8.481 -14.542 3.363 1.00 0.00 C ATOM 33 CG GLU A 3 -9.195 -15.883 3.413 1.00 0.00 C ATOM 34 CD GLU A 3 -10.647 -15.760 3.826 1.00 0.00 C ATOM 35 OE1 GLU A 3 -11.486 -15.422 2.965 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.957 -16.005 5.011 1.00 0.00 O ATOM 0 H GLU A 3 -9.211 -15.139 1.099 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.119 -13.230 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.454 -14.698 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.432 -14.127 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.140 -16.356 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.677 -16.539 4.113 1.00 0.00 H new ATOM 43 N ILE A 4 -7.015 -12.433 2.013 1.00 0.00 N ATOM 44 CA ILE A 4 -6.145 -11.282 1.846 1.00 0.00 C ATOM 45 C ILE A 4 -6.199 -10.737 0.416 1.00 0.00 C ATOM 46 O ILE A 4 -5.699 -9.648 0.138 1.00 0.00 O ATOM 47 CB ILE A 4 -4.693 -11.610 2.242 1.00 0.00 C ATOM 48 CG1 ILE A 4 -3.869 -10.324 2.364 1.00 0.00 C ATOM 49 CG2 ILE A 4 -4.063 -12.554 1.231 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.624 -10.477 3.206 1.00 0.00 C ATOM 0 H ILE A 4 -6.566 -13.337 1.866 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.513 -10.506 2.517 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.704 -12.106 3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.583 -9.990 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.494 -9.542 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.038 -12.774 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.636 -13.480 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.063 -12.086 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.093 -9.526 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.902 -10.780 4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.977 -11.235 2.765 1.00 0.00 H new ATOM 62 N MET A 5 -6.823 -11.492 -0.485 1.00 0.00 N ATOM 63 CA MET A 5 -6.955 -11.076 -1.874 1.00 0.00 C ATOM 64 C MET A 5 -7.775 -9.797 -1.946 1.00 0.00 C ATOM 65 O MET A 5 -7.470 -8.880 -2.709 1.00 0.00 O ATOM 66 CB MET A 5 -7.636 -12.173 -2.690 1.00 0.00 C ATOM 67 CG MET A 5 -7.611 -11.916 -4.190 1.00 0.00 C ATOM 68 SD MET A 5 -8.632 -13.079 -5.120 1.00 0.00 S ATOM 69 CE MET A 5 -10.277 -12.573 -4.614 1.00 0.00 C ATOM 0 H MET A 5 -7.245 -12.396 -0.275 1.00 0.00 H new ATOM 0 HA MET A 5 -5.963 -10.895 -2.287 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.147 -13.125 -2.484 1.00 0.00 H new ATOM 0 HB3 MET A 5 -8.671 -12.269 -2.363 1.00 0.00 H new ATOM 0 HG2 MET A 5 -7.956 -10.901 -4.385 1.00 0.00 H new ATOM 0 HG3 MET A 5 -6.583 -11.977 -4.547 1.00 0.00 H new ATOM 0 HE1 MET A 5 -10.755 -13.385 -4.067 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.206 -11.695 -3.972 1.00 0.00 H new ATOM 0 HE3 MET A 5 -10.870 -12.331 -5.496 1.00 0.00 H new ATOM 79 N LYS A 6 -8.817 -9.751 -1.136 1.00 0.00 N ATOM 80 CA LYS A 6 -9.642 -8.571 -1.025 1.00 0.00 C ATOM 81 C LYS A 6 -9.105 -7.709 0.109 1.00 0.00 C ATOM 82 O LYS A 6 -9.343 -7.992 1.282 1.00 0.00 O ATOM 83 CB LYS A 6 -11.094 -8.977 -0.769 1.00 0.00 C ATOM 84 CG LYS A 6 -12.104 -7.889 -1.077 1.00 0.00 C ATOM 85 CD LYS A 6 -13.520 -8.416 -0.940 1.00 0.00 C ATOM 86 CE LYS A 6 -14.539 -7.419 -1.456 1.00 0.00 C ATOM 87 NZ LYS A 6 -15.920 -7.960 -1.371 1.00 0.00 N ATOM 0 H LYS A 6 -9.110 -10.527 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.614 -7.998 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.326 -9.855 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.199 -9.271 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.957 -7.047 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.946 -7.515 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.615 -9.352 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.726 -8.639 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.472 -6.497 -0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.310 -7.165 -2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.592 -7.253 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.989 -8.827 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.147 -8.179 -0.380 1.00 0.00 H new ATOM 101 N ASN A 7 -8.358 -6.671 -0.250 1.00 0.00 N ATOM 102 CA ASN A 7 -7.651 -5.859 0.735 1.00 0.00 C ATOM 103 C ASN A 7 -8.619 -5.193 1.699 1.00 0.00 C ATOM 104 O ASN A 7 -9.537 -4.486 1.289 1.00 0.00 O ATOM 105 CB ASN A 7 -6.788 -4.792 0.052 1.00 0.00 C ATOM 106 CG ASN A 7 -5.605 -5.378 -0.698 1.00 0.00 C ATOM 107 OD1 ASN A 7 -4.548 -5.623 -0.116 1.00 0.00 O ATOM 108 ND2 ASN A 7 -5.759 -5.585 -1.999 1.00 0.00 N ATOM 0 H ASN A 7 -8.226 -6.371 -1.216 1.00 0.00 H new ATOM 0 HA ASN A 7 -7.003 -6.530 1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.406 -4.223 -0.642 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.424 -4.091 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.987 -5.959 -2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.650 -5.370 -2.448 1.00 0.00 H new ATOM 115 N LEU A 8 -8.399 -5.429 2.988 1.00 0.00 N ATOM 116 CA LEU A 8 -9.238 -4.868 4.040 1.00 0.00 C ATOM 117 C LEU A 8 -9.145 -3.342 4.030 1.00 0.00 C ATOM 118 O LEU A 8 -10.107 -2.642 4.353 1.00 0.00 O ATOM 119 CB LEU A 8 -8.810 -5.451 5.394 1.00 0.00 C ATOM 120 CG LEU A 8 -9.712 -5.128 6.589 1.00 0.00 C ATOM 121 CD1 LEU A 8 -9.824 -6.340 7.502 1.00 0.00 C ATOM 122 CD2 LEU A 8 -9.164 -3.941 7.366 1.00 0.00 C ATOM 0 H LEU A 8 -7.636 -6.013 3.332 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.280 -5.134 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.748 -6.535 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.805 -5.093 5.618 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.703 -4.871 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.467 -6.100 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.251 -7.175 6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.834 -6.614 7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.818 -3.726 8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.164 -4.175 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.117 -3.069 6.713 1.00 0.00 H new ATOM 134 N SER A 9 -7.989 -2.838 3.621 1.00 0.00 N ATOM 135 CA SER A 9 -7.772 -1.408 3.472 1.00 0.00 C ATOM 136 C SER A 9 -8.586 -0.860 2.298 1.00 0.00 C ATOM 137 O SER A 9 -9.100 0.265 2.340 1.00 0.00 O ATOM 138 CB SER A 9 -6.283 -1.163 3.257 1.00 0.00 C ATOM 139 OG SER A 9 -5.747 -2.153 2.393 1.00 0.00 O ATOM 0 H SER A 9 -7.177 -3.409 3.384 1.00 0.00 H new ATOM 0 HA SER A 9 -8.102 -0.889 4.372 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.127 -0.173 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.761 -1.183 4.214 1.00 0.00 H new ATOM 0 HG SER A 9 -4.791 -1.987 2.259 1.00 0.00 H new ATOM 145 N ASN A 10 -8.709 -1.677 1.258 1.00 0.00 N ATOM 146 CA ASN A 10 -9.501 -1.329 0.085 1.00 0.00 C ATOM 147 C ASN A 10 -10.983 -1.396 0.440 1.00 0.00 C ATOM 148 O ASN A 10 -11.808 -0.707 -0.156 1.00 0.00 O ATOM 149 CB ASN A 10 -9.175 -2.288 -1.070 1.00 0.00 C ATOM 150 CG ASN A 10 -9.562 -1.764 -2.452 1.00 0.00 C ATOM 151 OD1 ASN A 10 -8.887 -2.059 -3.438 1.00 0.00 O ATOM 152 ND2 ASN A 10 -10.644 -1.005 -2.548 1.00 0.00 N ATOM 0 H ASN A 10 -8.265 -2.594 1.204 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.260 -0.315 -0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.106 -2.499 -1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.688 -3.234 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.938 -0.648 -3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.183 -0.778 -1.713 1.00 0.00 H new ATOM 159 N ASN A 11 -11.310 -2.223 1.429 1.00 0.00 N ATOM 160 CA ASN A 11 -12.675 -2.307 1.933 1.00 0.00 C ATOM 161 C ASN A 11 -13.037 -1.004 2.630 1.00 0.00 C ATOM 162 O ASN A 11 -14.164 -0.521 2.513 1.00 0.00 O ATOM 163 CB ASN A 11 -12.850 -3.487 2.900 1.00 0.00 C ATOM 164 CG ASN A 11 -12.741 -4.839 2.214 1.00 0.00 C ATOM 165 OD1 ASN A 11 -13.060 -4.980 1.034 1.00 0.00 O ATOM 166 ND2 ASN A 11 -12.315 -5.850 2.955 1.00 0.00 N ATOM 0 H ASN A 11 -10.649 -2.843 1.896 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.342 -2.473 1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.096 -3.422 3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.823 -3.410 3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.243 -6.784 2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.059 -5.695 3.930 1.00 0.00 H new ATOM 173 N PHE A 12 -12.077 -0.454 3.376 1.00 0.00 N ATOM 174 CA PHE A 12 -12.199 0.911 3.894 1.00 0.00 C ATOM 175 C PHE A 12 -12.463 1.914 2.766 1.00 0.00 C ATOM 176 O PHE A 12 -13.617 2.232 2.483 1.00 0.00 O ATOM 177 CB PHE A 12 -10.947 1.339 4.668 1.00 0.00 C ATOM 178 CG PHE A 12 -10.795 0.695 6.014 1.00 0.00 C ATOM 179 CD1 PHE A 12 -11.798 0.800 6.966 1.00 0.00 C ATOM 180 CD2 PHE A 12 -9.640 0.004 6.337 1.00 0.00 C ATOM 181 CE1 PHE A 12 -11.650 0.224 8.213 1.00 0.00 C ATOM 182 CE2 PHE A 12 -9.489 -0.575 7.581 1.00 0.00 C ATOM 183 CZ PHE A 12 -10.495 -0.464 8.520 1.00 0.00 C ATOM 0 H PHE A 12 -11.212 -0.929 3.634 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.049 0.909 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.067 1.107 4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.968 2.421 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.704 1.338 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.848 -0.083 5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.438 0.312 8.946 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.584 -1.115 7.820 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.378 -0.916 9.494 1.00 0.00 H new ATOM 193 N GLY A 13 -11.393 2.403 2.113 1.00 0.00 N ATOM 194 CA GLY A 13 -11.545 3.393 1.052 1.00 0.00 C ATOM 195 C GLY A 13 -12.444 4.565 1.430 1.00 0.00 C ATOM 196 O GLY A 13 -13.180 5.078 0.588 1.00 0.00 O ATOM 0 H GLY A 13 -10.429 2.128 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.561 3.775 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.953 2.904 0.167 1.00 0.00 H new ATOM 200 N LYS A 14 -12.383 4.989 2.693 1.00 0.00 N ATOM 201 CA LYS A 14 -13.234 6.068 3.187 1.00 0.00 C ATOM 202 C LYS A 14 -12.880 7.387 2.503 1.00 0.00 C ATOM 203 O LYS A 14 -13.757 8.180 2.162 1.00 0.00 O ATOM 204 CB LYS A 14 -13.075 6.188 4.713 1.00 0.00 C ATOM 205 CG LYS A 14 -14.198 6.941 5.430 1.00 0.00 C ATOM 206 CD LYS A 14 -14.149 8.448 5.194 1.00 0.00 C ATOM 207 CE LYS A 14 -12.843 9.062 5.678 1.00 0.00 C ATOM 208 NZ LYS A 14 -12.670 8.937 7.148 1.00 0.00 N ATOM 0 H LYS A 14 -11.751 4.599 3.393 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.274 5.838 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.005 5.185 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.131 6.689 4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.160 6.557 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.135 6.744 6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.273 8.652 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.985 8.922 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.007 8.576 5.174 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.815 10.115 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.810 9.443 7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.494 9.348 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.585 7.932 7.403 1.00 0.00 H new ATOM 222 N ALA A 15 -11.592 7.613 2.292 1.00 0.00 N ATOM 223 CA ALA A 15 -11.140 8.857 1.694 1.00 0.00 C ATOM 224 C ALA A 15 -9.947 8.634 0.779 1.00 0.00 C ATOM 225 O ALA A 15 -8.805 8.558 1.230 1.00 0.00 O ATOM 226 CB ALA A 15 -10.793 9.873 2.772 1.00 0.00 C ATOM 0 H ALA A 15 -10.847 6.956 2.524 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.958 9.248 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.456 10.799 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.675 10.073 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.999 9.476 3.404 1.00 0.00 H new ATOM 232 N MET A 16 -10.223 8.517 -0.510 1.00 0.00 N ATOM 233 CA MET A 16 -9.170 8.444 -1.507 1.00 0.00 C ATOM 234 C MET A 16 -8.672 9.853 -1.782 1.00 0.00 C ATOM 235 O MET A 16 -7.490 10.080 -2.044 1.00 0.00 O ATOM 236 CB MET A 16 -9.686 7.807 -2.802 1.00 0.00 C ATOM 237 CG MET A 16 -10.174 6.378 -2.628 1.00 0.00 C ATOM 238 SD MET A 16 -10.807 5.670 -4.160 1.00 0.00 S ATOM 239 CE MET A 16 -11.278 4.031 -3.608 1.00 0.00 C ATOM 0 H MET A 16 -11.169 8.471 -0.889 1.00 0.00 H new ATOM 0 HA MET A 16 -8.357 7.822 -1.132 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.501 8.414 -3.196 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.890 7.821 -3.546 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.355 5.761 -2.258 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.958 6.355 -1.871 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.689 3.469 -4.447 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.402 3.513 -3.218 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.030 4.113 -2.823 1.00 0.00 H new ATOM 249 N ASP A 17 -9.606 10.793 -1.680 1.00 0.00 N ATOM 250 CA ASP A 17 -9.340 12.217 -1.868 1.00 0.00 C ATOM 251 C ASP A 17 -8.256 12.714 -0.929 1.00 0.00 C ATOM 252 O ASP A 17 -7.366 13.467 -1.329 1.00 0.00 O ATOM 253 CB ASP A 17 -10.628 13.011 -1.628 1.00 0.00 C ATOM 254 CG ASP A 17 -10.411 14.512 -1.626 1.00 0.00 C ATOM 255 OD1 ASP A 17 -10.109 15.071 -0.551 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.566 15.143 -2.694 1.00 0.00 O ATOM 0 H ASP A 17 -10.581 10.586 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.991 12.363 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.354 12.756 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.060 12.711 -0.673 1.00 0.00 H new ATOM 261 N GLN A 18 -8.294 12.247 0.304 1.00 0.00 N ATOM 262 CA GLN A 18 -7.456 12.831 1.334 1.00 0.00 C ATOM 263 C GLN A 18 -6.091 12.167 1.381 1.00 0.00 C ATOM 264 O GLN A 18 -5.115 12.787 1.804 1.00 0.00 O ATOM 265 CB GLN A 18 -8.136 12.791 2.703 1.00 0.00 C ATOM 266 CG GLN A 18 -9.272 13.798 2.830 1.00 0.00 C ATOM 267 CD GLN A 18 -9.526 14.212 4.265 1.00 0.00 C ATOM 268 OE1 GLN A 18 -9.319 13.435 5.199 1.00 0.00 O ATOM 269 NE2 GLN A 18 -9.980 15.440 4.452 1.00 0.00 N ATOM 0 H GLN A 18 -8.886 11.477 0.614 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.307 13.879 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.524 11.788 2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.395 12.988 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.037 14.682 2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.183 13.367 2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.138 16.053 3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.172 15.775 5.396 1.00 0.00 H new ATOM 278 N CYS A 19 -6.004 10.925 0.922 1.00 0.00 N ATOM 279 CA CYS A 19 -4.708 10.287 0.802 1.00 0.00 C ATOM 280 C CYS A 19 -3.958 10.894 -0.386 1.00 0.00 C ATOM 281 O CYS A 19 -2.745 11.118 -0.325 1.00 0.00 O ATOM 282 CB CYS A 19 -4.833 8.767 0.662 1.00 0.00 C ATOM 283 SG CYS A 19 -3.235 7.916 0.480 1.00 0.00 S ATOM 0 H CYS A 19 -6.798 10.354 0.634 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.142 10.468 1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.348 8.371 1.538 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.456 8.541 -0.203 1.00 0.00 H new ATOM 288 N LYS A 20 -4.710 11.222 -1.443 1.00 0.00 N ATOM 289 CA LYS A 20 -4.157 11.874 -2.624 1.00 0.00 C ATOM 290 C LYS A 20 -3.616 13.244 -2.252 1.00 0.00 C ATOM 291 O LYS A 20 -2.545 13.665 -2.708 1.00 0.00 O ATOM 292 CB LYS A 20 -5.249 11.957 -3.705 1.00 0.00 C ATOM 293 CG LYS A 20 -5.362 13.282 -4.460 1.00 0.00 C ATOM 294 CD LYS A 20 -4.179 13.564 -5.381 1.00 0.00 C ATOM 295 CE LYS A 20 -4.441 14.813 -6.212 1.00 0.00 C ATOM 296 NZ LYS A 20 -3.224 15.303 -6.907 1.00 0.00 N ATOM 0 H LYS A 20 -5.712 11.042 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.324 11.296 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.071 11.164 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.210 11.749 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.278 13.277 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.452 14.095 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.273 13.696 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.010 12.711 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.214 14.598 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.827 15.601 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.030 16.283 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.414 14.701 -6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.374 15.268 -7.936 1.00 0.00 H new ATOM 310 N ASP A 21 -4.358 13.902 -1.384 1.00 0.00 N ATOM 311 CA ASP A 21 -4.034 15.247 -0.937 1.00 0.00 C ATOM 312 C ASP A 21 -2.780 15.264 -0.062 1.00 0.00 C ATOM 313 O ASP A 21 -1.934 16.146 -0.205 1.00 0.00 O ATOM 314 CB ASP A 21 -5.218 15.826 -0.162 1.00 0.00 C ATOM 315 CG ASP A 21 -4.972 17.242 0.310 1.00 0.00 C ATOM 316 OD1 ASP A 21 -5.049 18.170 -0.519 1.00 0.00 O ATOM 317 OD2 ASP A 21 -4.711 17.434 1.515 1.00 0.00 O ATOM 0 H ASP A 21 -5.206 13.520 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.832 15.858 -1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.105 15.808 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.428 15.192 0.699 1.00 0.00 H new ATOM 322 N GLU A 22 -2.648 14.279 0.822 1.00 0.00 N ATOM 323 CA GLU A 22 -1.537 14.264 1.775 1.00 0.00 C ATOM 324 C GLU A 22 -0.208 13.956 1.096 1.00 0.00 C ATOM 325 O GLU A 22 0.793 14.611 1.375 1.00 0.00 O ATOM 326 CB GLU A 22 -1.771 13.264 2.910 1.00 0.00 C ATOM 327 CG GLU A 22 -2.787 13.717 3.939 1.00 0.00 C ATOM 328 CD GLU A 22 -2.214 14.743 4.891 1.00 0.00 C ATOM 329 OE1 GLU A 22 -2.259 15.948 4.576 1.00 0.00 O ATOM 330 OE2 GLU A 22 -1.707 14.340 5.958 1.00 0.00 O ATOM 0 H GLU A 22 -3.287 13.488 0.900 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.490 15.268 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.101 12.317 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.823 13.073 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.654 14.139 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.138 12.854 4.505 1.00 0.00 H new ATOM 337 N LEU A 23 -0.181 12.965 0.207 1.00 0.00 N ATOM 338 CA LEU A 23 1.086 12.559 -0.399 1.00 0.00 C ATOM 339 C LEU A 23 1.387 13.409 -1.618 1.00 0.00 C ATOM 340 O LEU A 23 2.447 13.281 -2.229 1.00 0.00 O ATOM 341 CB LEU A 23 1.069 11.075 -0.775 1.00 0.00 C ATOM 342 CG LEU A 23 0.612 10.136 0.336 1.00 0.00 C ATOM 343 CD1 LEU A 23 1.008 8.702 0.036 1.00 0.00 C ATOM 344 CD2 LEU A 23 1.187 10.608 1.649 1.00 0.00 C ATOM 0 H LEU A 23 -0.998 12.440 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 23 1.874 12.711 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.414 10.941 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.071 10.783 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.476 10.155 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.670 8.054 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.547 8.385 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.092 8.635 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.864 9.941 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.275 10.605 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.837 11.619 1.857 1.00 0.00 H new ATOM 356 N SER A 24 0.429 14.265 -1.958 1.00 0.00 N ATOM 357 CA SER A 24 0.571 15.205 -3.061 1.00 0.00 C ATOM 358 C SER A 24 0.722 14.435 -4.371 1.00 0.00 C ATOM 359 O SER A 24 1.420 14.871 -5.288 1.00 0.00 O ATOM 360 CB SER A 24 1.778 16.124 -2.812 1.00 0.00 C ATOM 361 OG SER A 24 1.749 17.280 -3.636 1.00 0.00 O ATOM 0 H SER A 24 -0.468 14.326 -1.476 1.00 0.00 H new ATOM 0 HA SER A 24 -0.319 15.830 -3.131 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.793 16.426 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.699 15.571 -2.997 1.00 0.00 H new ATOM 0 HG SER A 24 1.595 17.015 -4.567 1.00 0.00 H new ATOM 367 N LEU A 25 0.033 13.289 -4.442 1.00 0.00 N ATOM 368 CA LEU A 25 0.136 12.387 -5.598 1.00 0.00 C ATOM 369 C LEU A 25 -0.061 13.125 -6.914 1.00 0.00 C ATOM 370 O LEU A 25 -1.120 13.701 -7.159 1.00 0.00 O ATOM 371 CB LEU A 25 -0.905 11.262 -5.524 1.00 0.00 C ATOM 372 CG LEU A 25 -0.710 10.247 -4.403 1.00 0.00 C ATOM 373 CD1 LEU A 25 -1.101 10.829 -3.064 1.00 0.00 C ATOM 374 CD2 LEU A 25 -1.502 8.987 -4.667 1.00 0.00 C ATOM 0 H LEU A 25 -0.602 12.964 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 25 1.142 11.968 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.891 11.713 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.904 10.729 -6.475 1.00 0.00 H new ATOM 0 HG LEU A 25 0.350 9.994 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.951 10.082 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.484 11.702 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.150 11.123 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.344 8.281 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.562 9.231 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.171 8.539 -5.604 1.00 0.00 H new ATOM 386 N PRO A 26 0.959 13.103 -7.783 1.00 0.00 N ATOM 387 CA PRO A 26 0.867 13.658 -9.132 1.00 0.00 C ATOM 388 C PRO A 26 0.031 12.771 -10.050 1.00 0.00 C ATOM 389 O PRO A 26 -0.194 11.592 -9.757 1.00 0.00 O ATOM 390 CB PRO A 26 2.329 13.714 -9.606 1.00 0.00 C ATOM 391 CG PRO A 26 3.152 13.459 -8.385 1.00 0.00 C ATOM 392 CD PRO A 26 2.302 12.588 -7.510 1.00 0.00 C ATOM 0 HA PRO A 26 0.377 14.631 -9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.522 12.965 -10.374 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.564 14.685 -10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.090 12.965 -8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.408 14.391 -7.882 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.395 11.533 -7.770 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.569 12.682 -6.457 1.00 0.00 H new ATOM 400 N ASP A 27 -0.405 13.337 -11.165 1.00 0.00 N ATOM 401 CA ASP A 27 -1.321 12.659 -12.081 1.00 0.00 C ATOM 402 C ASP A 27 -0.723 11.393 -12.691 1.00 0.00 C ATOM 403 O ASP A 27 -1.450 10.452 -12.993 1.00 0.00 O ATOM 404 CB ASP A 27 -1.786 13.617 -13.181 1.00 0.00 C ATOM 405 CG ASP A 27 -0.642 14.191 -13.992 1.00 0.00 C ATOM 406 OD1 ASP A 27 -0.008 15.164 -13.530 1.00 0.00 O ATOM 407 OD2 ASP A 27 -0.362 13.672 -15.094 1.00 0.00 O ATOM 0 H ASP A 27 -0.138 14.275 -11.463 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.181 12.345 -11.489 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.468 13.091 -13.848 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.349 14.434 -12.729 1.00 0.00 H new ATOM 412 N SER A 28 0.591 11.350 -12.858 1.00 0.00 N ATOM 413 CA SER A 28 1.235 10.150 -13.382 1.00 0.00 C ATOM 414 C SER A 28 1.133 9.014 -12.364 1.00 0.00 C ATOM 415 O SER A 28 0.912 7.850 -12.719 1.00 0.00 O ATOM 416 CB SER A 28 2.702 10.432 -13.715 1.00 0.00 C ATOM 417 OG SER A 28 3.313 9.321 -14.350 1.00 0.00 O ATOM 0 H SER A 28 1.226 12.119 -12.643 1.00 0.00 H new ATOM 0 HA SER A 28 0.724 9.851 -14.297 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.768 11.305 -14.364 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.244 10.673 -12.801 1.00 0.00 H new ATOM 0 HG SER A 28 4.248 9.533 -14.551 1.00 0.00 H new ATOM 423 N VAL A 29 1.259 9.368 -11.093 1.00 0.00 N ATOM 424 CA VAL A 29 1.234 8.388 -10.025 1.00 0.00 C ATOM 425 C VAL A 29 -0.190 7.902 -9.772 1.00 0.00 C ATOM 426 O VAL A 29 -0.422 6.702 -9.747 1.00 0.00 O ATOM 427 CB VAL A 29 1.852 8.946 -8.726 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.921 7.875 -7.645 1.00 0.00 C ATOM 429 CG2 VAL A 29 3.235 9.511 -9.009 1.00 0.00 C ATOM 0 H VAL A 29 1.380 10.331 -10.779 1.00 0.00 H new ATOM 0 HA VAL A 29 1.841 7.541 -10.344 1.00 0.00 H new ATOM 0 HB VAL A 29 1.211 9.747 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.361 8.298 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.916 7.515 -7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.536 7.045 -7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.664 9.903 -8.087 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.877 8.722 -9.401 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.157 10.314 -9.742 1.00 0.00 H new ATOM 439 N VAL A 30 -1.144 8.832 -9.615 1.00 0.00 N ATOM 440 CA VAL A 30 -2.555 8.463 -9.431 1.00 0.00 C ATOM 441 C VAL A 30 -3.041 7.582 -10.587 1.00 0.00 C ATOM 442 O VAL A 30 -3.829 6.666 -10.386 1.00 0.00 O ATOM 443 CB VAL A 30 -3.475 9.705 -9.313 1.00 0.00 C ATOM 444 CG1 VAL A 30 -2.993 10.626 -8.210 1.00 0.00 C ATOM 445 CG2 VAL A 30 -3.578 10.463 -10.627 1.00 0.00 C ATOM 0 H VAL A 30 -0.966 9.836 -9.612 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.612 7.907 -8.495 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.472 9.344 -9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.653 11.491 -8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.000 10.091 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.979 10.959 -8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.232 11.326 -10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.587 10.801 -10.931 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.989 9.807 -11.394 1.00 0.00 H new ATOM 455 N ALA A 31 -2.538 7.850 -11.788 1.00 0.00 N ATOM 456 CA ALA A 31 -2.921 7.093 -12.976 1.00 0.00 C ATOM 457 C ALA A 31 -2.473 5.642 -12.885 1.00 0.00 C ATOM 458 O ALA A 31 -3.253 4.723 -13.135 1.00 0.00 O ATOM 459 CB ALA A 31 -2.313 7.727 -14.208 1.00 0.00 C ATOM 0 H ALA A 31 -1.860 8.591 -11.965 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.009 7.111 -13.043 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.603 7.157 -15.091 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.671 8.752 -14.304 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.227 7.729 -14.118 1.00 0.00 H new ATOM 465 N ASP A 32 -1.204 5.449 -12.548 1.00 0.00 N ATOM 466 CA ASP A 32 -0.644 4.107 -12.418 1.00 0.00 C ATOM 467 C ASP A 32 -1.267 3.420 -11.210 1.00 0.00 C ATOM 468 O ASP A 32 -1.579 2.230 -11.228 1.00 0.00 O ATOM 469 CB ASP A 32 0.870 4.207 -12.229 1.00 0.00 C ATOM 470 CG ASP A 32 1.623 3.036 -12.817 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.460 1.907 -12.329 1.00 0.00 O ATOM 472 OD2 ASP A 32 2.404 3.258 -13.771 1.00 0.00 O ATOM 0 H ASP A 32 -0.543 6.203 -12.360 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.858 3.528 -13.316 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.227 5.128 -12.690 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.093 4.276 -11.164 1.00 0.00 H new ATOM 477 N LEU A 33 -1.459 4.224 -10.177 1.00 0.00 N ATOM 478 CA LEU A 33 -2.111 3.824 -8.950 1.00 0.00 C ATOM 479 C LEU A 33 -3.505 3.259 -9.229 1.00 0.00 C ATOM 480 O LEU A 33 -3.820 2.136 -8.835 1.00 0.00 O ATOM 481 CB LEU A 33 -2.166 5.082 -8.056 1.00 0.00 C ATOM 482 CG LEU A 33 -2.539 4.918 -6.587 1.00 0.00 C ATOM 483 CD1 LEU A 33 -4.022 4.653 -6.438 1.00 0.00 C ATOM 484 CD2 LEU A 33 -1.693 3.832 -5.951 1.00 0.00 C ATOM 0 H LEU A 33 -1.156 5.198 -10.173 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.563 3.026 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.188 5.561 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.879 5.775 -8.503 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.329 5.848 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.267 4.539 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.585 5.489 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.284 3.739 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.968 3.724 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.862 2.888 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.639 4.102 -6.024 1.00 0.00 H new ATOM 496 N TYR A 34 -4.336 4.042 -9.902 1.00 0.00 N ATOM 497 CA TYR A 34 -5.689 3.608 -10.266 1.00 0.00 C ATOM 498 C TYR A 34 -5.768 2.469 -11.314 1.00 0.00 C ATOM 499 O TYR A 34 -6.858 2.234 -11.845 1.00 0.00 O ATOM 500 CB TYR A 34 -6.527 4.806 -10.722 1.00 0.00 C ATOM 501 CG TYR A 34 -6.882 5.744 -9.589 1.00 0.00 C ATOM 502 CD1 TYR A 34 -7.425 5.257 -8.407 1.00 0.00 C ATOM 503 CD2 TYR A 34 -6.662 7.109 -9.695 1.00 0.00 C ATOM 504 CE1 TYR A 34 -7.738 6.103 -7.364 1.00 0.00 C ATOM 505 CE2 TYR A 34 -6.970 7.963 -8.654 1.00 0.00 C ATOM 506 CZ TYR A 34 -7.509 7.457 -7.493 1.00 0.00 C ATOM 507 OH TYR A 34 -7.813 8.302 -6.451 1.00 0.00 O ATOM 0 H TYR A 34 -4.101 4.985 -10.211 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.097 3.176 -9.352 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.977 5.358 -11.485 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.444 4.445 -11.188 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.605 4.197 -8.303 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.243 7.511 -10.606 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.160 5.708 -6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.789 9.023 -8.751 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.591 9.223 -6.701 1.00 0.00 H new ATOM 517 N ASN A 35 -4.658 1.775 -11.643 1.00 0.00 N ATOM 518 CA ASN A 35 -4.702 0.700 -12.638 1.00 0.00 C ATOM 519 C ASN A 35 -5.734 -0.354 -12.243 1.00 0.00 C ATOM 520 O ASN A 35 -5.557 -1.087 -11.267 1.00 0.00 O ATOM 521 CB ASN A 35 -3.323 0.055 -12.795 1.00 0.00 C ATOM 522 CG ASN A 35 -3.325 -1.117 -13.761 1.00 0.00 C ATOM 523 OD1 ASN A 35 -2.421 -2.058 -13.540 1.00 0.00 O flip ATOM 524 ND2 ASN A 35 -4.120 -1.174 -14.701 1.00 0.00 N flip ATOM 0 H ASN A 35 -3.737 1.941 -11.237 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.994 1.133 -13.595 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.614 0.806 -13.144 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.973 -0.285 -11.820 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.802 -0.428 -14.838 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.096 -1.967 -15.342 1.00 0.00 H new ATOM 531 N PHE A 36 -6.808 -0.413 -13.015 1.00 0.00 N ATOM 532 CA PHE A 36 -7.962 -1.241 -12.686 1.00 0.00 C ATOM 533 C PHE A 36 -7.719 -2.708 -13.028 1.00 0.00 C ATOM 534 O PHE A 36 -8.281 -3.600 -12.397 1.00 0.00 O ATOM 535 CB PHE A 36 -9.189 -0.716 -13.441 1.00 0.00 C ATOM 536 CG PHE A 36 -10.484 -1.370 -13.050 1.00 0.00 C ATOM 537 CD1 PHE A 36 -11.225 -0.881 -11.988 1.00 0.00 C ATOM 538 CD2 PHE A 36 -10.963 -2.466 -13.748 1.00 0.00 C ATOM 539 CE1 PHE A 36 -12.419 -1.473 -11.628 1.00 0.00 C ATOM 540 CE2 PHE A 36 -12.157 -3.062 -13.393 1.00 0.00 C ATOM 541 CZ PHE A 36 -12.887 -2.564 -12.332 1.00 0.00 C ATOM 0 H PHE A 36 -6.906 0.110 -13.885 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.134 -1.183 -11.611 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.273 0.358 -13.272 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.032 -0.859 -14.510 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.865 -0.026 -11.435 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.396 -2.859 -14.579 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -12.986 -1.083 -10.796 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -12.519 -3.917 -13.945 1.00 0.00 H new ATOM 0 HZ PHE A 36 -13.822 -3.027 -12.054 1.00 0.00 H new ATOM 551 N TRP A 37 -6.872 -2.955 -14.015 1.00 0.00 N ATOM 552 CA TRP A 37 -6.657 -4.308 -14.514 1.00 0.00 C ATOM 553 C TRP A 37 -5.563 -5.010 -13.734 1.00 0.00 C ATOM 554 O TRP A 37 -4.709 -4.364 -13.125 1.00 0.00 O ATOM 555 CB TRP A 37 -6.310 -4.272 -16.002 1.00 0.00 C ATOM 556 CG TRP A 37 -7.379 -3.633 -16.832 1.00 0.00 C ATOM 557 CD1 TRP A 37 -8.499 -4.236 -17.324 1.00 0.00 C ATOM 558 CD2 TRP A 37 -7.432 -2.269 -17.260 1.00 0.00 C ATOM 559 NE1 TRP A 37 -9.248 -3.329 -18.031 1.00 0.00 N ATOM 560 CE2 TRP A 37 -8.614 -2.115 -18.008 1.00 0.00 C ATOM 561 CE3 TRP A 37 -6.597 -1.162 -17.082 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -8.979 -0.899 -18.579 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -6.962 0.044 -17.650 1.00 0.00 C ATOM 564 CH2 TRP A 37 -8.144 0.168 -18.388 1.00 0.00 C ATOM 0 H TRP A 37 -6.322 -2.238 -14.487 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.581 -4.871 -14.379 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.376 -3.728 -16.139 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.141 -5.289 -16.356 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.758 -5.274 -17.179 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.133 -3.527 -18.498 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.684 -1.248 -16.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.889 -0.801 -19.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.324 0.906 -17.522 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.403 1.125 -18.816 1.00 0.00 H new ATOM 575 N LYS A 38 -5.585 -6.336 -13.769 1.00 0.00 N ATOM 576 CA LYS A 38 -4.652 -7.137 -12.990 1.00 0.00 C ATOM 577 C LYS A 38 -3.323 -7.272 -13.714 1.00 0.00 C ATOM 578 O LYS A 38 -2.917 -8.368 -14.105 1.00 0.00 O ATOM 579 CB LYS A 38 -5.228 -8.521 -12.683 1.00 0.00 C ATOM 580 CG LYS A 38 -6.587 -8.486 -11.997 1.00 0.00 C ATOM 581 CD LYS A 38 -7.731 -8.408 -12.998 1.00 0.00 C ATOM 582 CE LYS A 38 -9.076 -8.331 -12.296 1.00 0.00 C ATOM 583 NZ LYS A 38 -10.210 -8.456 -13.248 1.00 0.00 N ATOM 0 H LYS A 38 -6.241 -6.880 -14.330 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.486 -6.621 -12.045 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.316 -9.082 -13.614 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.526 -9.063 -12.050 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.705 -9.377 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.633 -7.627 -11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.600 -7.533 -13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.708 -9.282 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.141 -9.122 -11.549 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.153 -7.383 -11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.108 -8.398 -12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.164 -7.686 -13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.152 -9.371 -13.738 1.00 0.00 H new ATOM 597 N ASP A 39 -2.693 -6.130 -13.936 1.00 0.00 N ATOM 598 CA ASP A 39 -1.361 -6.062 -14.546 1.00 0.00 C ATOM 599 C ASP A 39 -0.370 -7.105 -13.986 1.00 0.00 C ATOM 600 O ASP A 39 0.301 -7.776 -14.772 1.00 0.00 O ATOM 601 CB ASP A 39 -0.787 -4.661 -14.366 1.00 0.00 C ATOM 602 CG ASP A 39 0.036 -4.223 -15.556 1.00 0.00 C ATOM 603 OD1 ASP A 39 1.215 -4.612 -15.650 1.00 0.00 O ATOM 604 OD2 ASP A 39 -0.503 -3.486 -16.408 1.00 0.00 O ATOM 0 H ASP A 39 -3.085 -5.218 -13.700 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.491 -6.294 -15.603 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.602 -3.954 -14.210 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.168 -4.637 -13.469 1.00 0.00 H new ATOM 609 N ASP A 40 -0.267 -7.234 -12.645 1.00 0.00 N ATOM 610 CA ASP A 40 0.674 -8.169 -12.012 1.00 0.00 C ATOM 611 C ASP A 40 2.117 -7.727 -12.234 1.00 0.00 C ATOM 612 O ASP A 40 3.053 -8.516 -12.085 1.00 0.00 O ATOM 613 CB ASP A 40 0.481 -9.606 -12.518 1.00 0.00 C ATOM 614 CG ASP A 40 -0.365 -10.453 -11.586 1.00 0.00 C ATOM 615 OD1 ASP A 40 0.121 -10.802 -10.486 1.00 0.00 O ATOM 616 OD2 ASP A 40 -1.512 -10.799 -11.953 1.00 0.00 O ATOM 0 H ASP A 40 -0.828 -6.698 -11.983 1.00 0.00 H new ATOM 0 HA ASP A 40 0.461 -8.157 -10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.012 -9.579 -13.502 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.457 -10.076 -12.642 1.00 0.00 H new ATOM 621 N TYR A 41 2.286 -6.454 -12.560 1.00 0.00 N ATOM 622 CA TYR A 41 3.603 -5.886 -12.807 1.00 0.00 C ATOM 623 C TYR A 41 4.327 -5.596 -11.498 1.00 0.00 C ATOM 624 O TYR A 41 3.797 -5.821 -10.407 1.00 0.00 O ATOM 625 CB TYR A 41 3.509 -4.600 -13.648 1.00 0.00 C ATOM 626 CG TYR A 41 3.140 -3.347 -12.868 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.316 -3.410 -11.757 1.00 0.00 C ATOM 628 CD2 TYR A 41 3.639 -2.104 -13.240 1.00 0.00 C ATOM 629 CE1 TYR A 41 1.991 -2.278 -11.036 1.00 0.00 C ATOM 630 CE2 TYR A 41 3.323 -0.965 -12.525 1.00 0.00 C ATOM 631 CZ TYR A 41 2.495 -1.057 -11.424 1.00 0.00 C ATOM 632 OH TYR A 41 2.188 0.072 -10.700 1.00 0.00 O ATOM 0 H TYR A 41 1.519 -5.789 -12.660 1.00 0.00 H new ATOM 0 HA TYR A 41 4.174 -6.625 -13.368 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.468 -4.435 -14.140 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.769 -4.751 -14.434 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.919 -4.365 -11.448 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.285 -2.027 -14.102 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.345 -2.350 -10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.722 -0.007 -12.826 1.00 0.00 H new ATOM 0 HH TYR A 41 2.278 0.862 -11.273 1.00 0.00 H new ATOM 642 N VAL A 42 5.536 -5.096 -11.619 1.00 0.00 N ATOM 643 CA VAL A 42 6.314 -4.684 -10.469 1.00 0.00 C ATOM 644 C VAL A 42 6.022 -3.222 -10.161 1.00 0.00 C ATOM 645 O VAL A 42 6.044 -2.378 -11.058 1.00 0.00 O ATOM 646 CB VAL A 42 7.828 -4.867 -10.708 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.615 -4.579 -9.438 1.00 0.00 C ATOM 648 CG2 VAL A 42 8.122 -6.266 -11.223 1.00 0.00 C ATOM 0 H VAL A 42 6.008 -4.963 -12.513 1.00 0.00 H new ATOM 0 HA VAL A 42 6.030 -5.313 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 42 8.143 -4.152 -11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.679 -4.714 -9.631 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.431 -3.552 -9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.299 -5.264 -8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.194 -6.376 -11.386 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.789 -7.001 -10.490 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.594 -6.426 -12.163 1.00 0.00 H new ATOM 658 N MET A 43 5.728 -2.938 -8.900 1.00 0.00 N ATOM 659 CA MET A 43 5.424 -1.580 -8.457 1.00 0.00 C ATOM 660 C MET A 43 6.653 -0.693 -8.608 1.00 0.00 C ATOM 661 O MET A 43 7.602 -0.795 -7.838 1.00 0.00 O ATOM 662 CB MET A 43 4.943 -1.600 -7.003 1.00 0.00 C ATOM 663 CG MET A 43 4.487 -0.248 -6.475 1.00 0.00 C ATOM 664 SD MET A 43 3.811 -0.363 -4.809 1.00 0.00 S ATOM 665 CE MET A 43 2.509 -1.567 -5.056 1.00 0.00 C ATOM 0 H MET A 43 5.693 -3.636 -8.157 1.00 0.00 H new ATOM 0 HA MET A 43 4.628 -1.170 -9.078 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.119 -2.308 -6.915 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.750 -1.970 -6.371 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.329 0.444 -6.477 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.733 0.166 -7.144 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.927 -1.667 -4.140 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.857 -1.237 -5.865 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.949 -2.531 -5.314 1.00 0.00 H new ATOM 675 N THR A 44 6.640 0.150 -9.625 1.00 0.00 N ATOM 676 CA THR A 44 7.804 0.941 -9.965 1.00 0.00 C ATOM 677 C THR A 44 7.858 2.256 -9.194 1.00 0.00 C ATOM 678 O THR A 44 8.928 2.672 -8.749 1.00 0.00 O ATOM 679 CB THR A 44 7.852 1.220 -11.474 1.00 0.00 C ATOM 680 OG1 THR A 44 6.603 1.773 -11.912 1.00 0.00 O ATOM 681 CG2 THR A 44 8.135 -0.062 -12.240 1.00 0.00 C ATOM 0 H THR A 44 5.833 0.303 -10.230 1.00 0.00 H new ATOM 0 HA THR A 44 8.676 0.353 -9.678 1.00 0.00 H new ATOM 0 HB THR A 44 8.652 1.935 -11.668 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.643 1.949 -12.875 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.166 0.152 -13.308 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.095 -0.471 -11.924 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.347 -0.788 -12.038 1.00 0.00 H new ATOM 689 N ASP A 45 6.717 2.916 -9.031 1.00 0.00 N ATOM 690 CA ASP A 45 6.690 4.186 -8.317 1.00 0.00 C ATOM 691 C ASP A 45 6.441 3.966 -6.847 1.00 0.00 C ATOM 692 O ASP A 45 5.406 3.445 -6.425 1.00 0.00 O ATOM 693 CB ASP A 45 5.643 5.135 -8.895 1.00 0.00 C ATOM 694 CG ASP A 45 5.960 6.576 -8.556 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.925 6.932 -7.365 1.00 0.00 O ATOM 696 OD2 ASP A 45 6.289 7.348 -9.479 1.00 0.00 O ATOM 0 H ASP A 45 5.812 2.599 -9.378 1.00 0.00 H new ATOM 0 HA ASP A 45 7.668 4.651 -8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.599 5.015 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.659 4.875 -8.505 1.00 0.00 H new ATOM 701 N ARG A 46 7.436 4.369 -6.088 1.00 0.00 N ATOM 702 CA ARG A 46 7.396 4.350 -4.637 1.00 0.00 C ATOM 703 C ARG A 46 6.165 5.070 -4.082 1.00 0.00 C ATOM 704 O ARG A 46 5.561 4.618 -3.112 1.00 0.00 O ATOM 705 CB ARG A 46 8.669 4.994 -4.070 1.00 0.00 C ATOM 706 CG ARG A 46 8.796 6.501 -4.302 1.00 0.00 C ATOM 707 CD ARG A 46 9.016 6.841 -5.763 1.00 0.00 C ATOM 708 NE ARG A 46 10.362 6.497 -6.214 1.00 0.00 N ATOM 709 CZ ARG A 46 11.367 7.369 -6.297 1.00 0.00 C ATOM 710 NH1 ARG A 46 11.175 8.644 -5.980 1.00 0.00 N ATOM 711 NH2 ARG A 46 12.561 6.962 -6.713 1.00 0.00 N ATOM 0 H ARG A 46 8.313 4.726 -6.466 1.00 0.00 H new ATOM 0 HA ARG A 46 7.336 3.307 -4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.707 4.803 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.534 4.500 -4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.893 6.998 -3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.626 6.889 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.284 6.310 -6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.845 7.907 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 46 10.544 5.530 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.256 8.960 -5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.947 9.308 -6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.707 5.985 -6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.332 7.626 -6.778 1.00 0.00 H new ATOM 725 N LEU A 47 5.787 6.176 -4.714 1.00 0.00 N ATOM 726 CA LEU A 47 4.723 7.014 -4.236 1.00 0.00 C ATOM 727 C LEU A 47 3.362 6.307 -4.365 1.00 0.00 C ATOM 728 O LEU A 47 2.399 6.651 -3.671 1.00 0.00 O ATOM 729 CB LEU A 47 4.803 8.350 -4.990 1.00 0.00 C ATOM 730 CG LEU A 47 3.651 9.291 -4.803 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.557 9.703 -3.359 1.00 0.00 C ATOM 732 CD2 LEU A 47 3.847 10.493 -5.694 1.00 0.00 C ATOM 0 H LEU A 47 6.220 6.507 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 47 4.830 7.217 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.715 8.861 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.900 8.136 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 47 2.718 8.797 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.718 10.387 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.405 8.820 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.480 10.201 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.013 11.182 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.777 10.995 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.893 10.171 -6.734 1.00 0.00 H new ATOM 744 N ALA A 48 3.308 5.267 -5.197 1.00 0.00 N ATOM 745 CA ALA A 48 2.114 4.451 -5.311 1.00 0.00 C ATOM 746 C ALA A 48 2.053 3.536 -4.102 1.00 0.00 C ATOM 747 O ALA A 48 1.065 3.515 -3.369 1.00 0.00 O ATOM 748 CB ALA A 48 2.133 3.640 -6.598 1.00 0.00 C ATOM 0 H ALA A 48 4.079 4.975 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 48 1.230 5.088 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.228 3.036 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.179 4.315 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.006 2.987 -6.604 1.00 0.00 H new ATOM 754 N GLY A 49 3.131 2.772 -3.926 1.00 0.00 N ATOM 755 CA GLY A 49 3.380 2.071 -2.670 1.00 0.00 C ATOM 756 C GLY A 49 2.986 2.859 -1.416 1.00 0.00 C ATOM 757 O GLY A 49 2.352 2.302 -0.514 1.00 0.00 O ATOM 0 H GLY A 49 3.845 2.624 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.832 1.129 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.440 1.823 -2.610 1.00 0.00 H new ATOM 761 N CYS A 50 3.343 4.148 -1.343 1.00 0.00 N ATOM 762 CA CYS A 50 3.036 4.954 -0.177 1.00 0.00 C ATOM 763 C CYS A 50 1.531 5.126 -0.035 1.00 0.00 C ATOM 764 O CYS A 50 0.989 4.986 1.058 1.00 0.00 O ATOM 765 CB CYS A 50 3.701 6.332 -0.279 1.00 0.00 C ATOM 766 SG CYS A 50 5.506 6.306 -0.564 1.00 0.00 S ATOM 0 H CYS A 50 3.843 4.645 -2.081 1.00 0.00 H new ATOM 0 HA CYS A 50 3.425 4.439 0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.229 6.886 -1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.502 6.882 0.641 1.00 0.00 H new ATOM 771 N ALA A 51 0.857 5.394 -1.155 1.00 0.00 N ATOM 772 CA ALA A 51 -0.582 5.649 -1.139 1.00 0.00 C ATOM 773 C ALA A 51 -1.375 4.395 -0.785 1.00 0.00 C ATOM 774 O ALA A 51 -2.481 4.479 -0.253 1.00 0.00 O ATOM 775 CB ALA A 51 -1.032 6.193 -2.483 1.00 0.00 C ATOM 0 H ALA A 51 1.284 5.440 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.778 6.392 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.106 6.379 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.507 7.125 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.807 5.466 -3.264 1.00 0.00 H new ATOM 781 N ILE A 52 -0.799 3.233 -1.054 1.00 0.00 N ATOM 782 CA ILE A 52 -1.446 1.972 -0.715 1.00 0.00 C ATOM 783 C ILE A 52 -1.307 1.689 0.781 1.00 0.00 C ATOM 784 O ILE A 52 -2.151 1.030 1.388 1.00 0.00 O ATOM 785 CB ILE A 52 -0.862 0.802 -1.543 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.055 1.078 -3.037 1.00 0.00 C ATOM 787 CG2 ILE A 52 -1.512 -0.521 -1.158 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.497 -0.001 -3.940 1.00 0.00 C ATOM 0 H ILE A 52 0.111 3.136 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.505 2.060 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 52 0.204 0.724 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.120 1.193 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.579 2.027 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.082 -1.325 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.334 -0.720 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.585 -0.466 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.673 0.269 -4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.575 -0.101 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.990 -0.949 -3.722 1.00 0.00 H new ATOM 800 N ASN A 53 -0.256 2.232 1.377 1.00 0.00 N ATOM 801 CA ASN A 53 -0.004 2.055 2.802 1.00 0.00 C ATOM 802 C ASN A 53 -0.171 3.396 3.495 1.00 0.00 C ATOM 803 O ASN A 53 0.631 3.786 4.345 1.00 0.00 O ATOM 804 CB ASN A 53 1.411 1.507 3.030 1.00 0.00 C ATOM 805 CG ASN A 53 1.600 0.110 2.467 1.00 0.00 C ATOM 806 OD1 ASN A 53 1.366 -0.883 3.152 1.00 0.00 O ATOM 807 ND2 ASN A 53 2.027 0.023 1.216 1.00 0.00 N ATOM 0 H ASN A 53 0.440 2.801 0.895 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.713 1.337 3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.135 2.180 2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.623 1.494 4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.172 -0.892 0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.210 0.871 0.680 1.00 0.00 H new ATOM 814 N CYS A 54 -1.231 4.094 3.125 1.00 0.00 N ATOM 815 CA CYS A 54 -1.419 5.475 3.534 1.00 0.00 C ATOM 816 C CYS A 54 -2.687 5.672 4.360 1.00 0.00 C ATOM 817 O CYS A 54 -2.637 6.314 5.400 1.00 0.00 O ATOM 818 CB CYS A 54 -1.429 6.357 2.283 1.00 0.00 C ATOM 819 SG CYS A 54 -2.478 7.840 2.363 1.00 0.00 S ATOM 0 H CYS A 54 -1.979 3.724 2.538 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.593 5.761 4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.406 6.670 2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.755 5.751 1.438 1.00 0.00 H new ATOM 824 N LEU A 55 -3.798 5.085 3.919 1.00 0.00 N ATOM 825 CA LEU A 55 -5.115 5.338 4.523 1.00 0.00 C ATOM 826 C LEU A 55 -5.087 5.279 6.055 1.00 0.00 C ATOM 827 O LEU A 55 -5.024 6.313 6.732 1.00 0.00 O ATOM 828 CB LEU A 55 -6.160 4.346 3.987 1.00 0.00 C ATOM 829 CG LEU A 55 -6.570 4.525 2.518 1.00 0.00 C ATOM 830 CD1 LEU A 55 -6.938 5.973 2.237 1.00 0.00 C ATOM 831 CD2 LEU A 55 -5.472 4.049 1.573 1.00 0.00 C ATOM 0 H LEU A 55 -3.817 4.426 3.141 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.392 6.353 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.771 3.336 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.055 4.423 4.605 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.450 3.907 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.226 6.079 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.772 6.267 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.080 6.613 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.794 4.189 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.564 4.625 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.272 2.992 1.750 1.00 0.00 H new ATOM 843 N ALA A 56 -5.075 4.073 6.604 1.00 0.00 N ATOM 844 CA ALA A 56 -5.204 3.906 8.044 1.00 0.00 C ATOM 845 C ALA A 56 -3.867 4.110 8.735 1.00 0.00 C ATOM 846 O ALA A 56 -3.809 4.321 9.947 1.00 0.00 O ATOM 847 CB ALA A 56 -5.766 2.528 8.368 1.00 0.00 C ATOM 0 H ALA A 56 -4.978 3.203 6.080 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.896 4.662 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.857 2.417 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.748 2.418 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.096 1.761 7.980 1.00 0.00 H new ATOM 853 N THR A 57 -2.796 4.078 7.955 1.00 0.00 N ATOM 854 CA THR A 57 -1.466 4.259 8.496 1.00 0.00 C ATOM 855 C THR A 57 -1.183 5.741 8.755 1.00 0.00 C ATOM 856 O THR A 57 -0.446 6.091 9.675 1.00 0.00 O ATOM 857 CB THR A 57 -0.402 3.677 7.550 1.00 0.00 C ATOM 858 OG1 THR A 57 -0.920 2.498 6.914 1.00 0.00 O ATOM 859 CG2 THR A 57 0.848 3.319 8.331 1.00 0.00 C ATOM 0 H THR A 57 -2.827 3.928 6.947 1.00 0.00 H new ATOM 0 HA THR A 57 -1.417 3.722 9.443 1.00 0.00 H new ATOM 0 HB THR A 57 -0.151 4.422 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.243 2.128 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.596 2.908 7.653 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.246 4.213 8.811 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.602 2.578 9.092 1.00 0.00 H new ATOM 867 N LYS A 58 -1.760 6.613 7.936 1.00 0.00 N ATOM 868 CA LYS A 58 -1.656 8.045 8.169 1.00 0.00 C ATOM 869 C LYS A 58 -2.690 8.503 9.190 1.00 0.00 C ATOM 870 O LYS A 58 -2.509 9.535 9.838 1.00 0.00 O ATOM 871 CB LYS A 58 -1.823 8.836 6.867 1.00 0.00 C ATOM 872 CG LYS A 58 -0.661 8.700 5.889 1.00 0.00 C ATOM 873 CD LYS A 58 0.323 9.869 5.969 1.00 0.00 C ATOM 874 CE LYS A 58 -0.278 11.175 5.458 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.292 11.750 6.385 1.00 0.00 N ATOM 0 H LYS A 58 -2.301 6.354 7.111 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.659 8.240 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.737 8.508 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.954 9.890 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.130 7.770 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.053 8.630 4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.643 10.000 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.213 9.631 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.521 11.901 5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.740 11.001 4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.306 12.785 6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.231 11.367 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.048 11.500 7.365 1.00 0.00 H new ATOM 889 N LEU A 59 -3.774 7.737 9.335 1.00 0.00 N ATOM 890 CA LEU A 59 -4.786 8.043 10.340 1.00 0.00 C ATOM 891 C LEU A 59 -4.211 7.948 11.751 1.00 0.00 C ATOM 892 O LEU A 59 -4.203 8.936 12.489 1.00 0.00 O ATOM 893 CB LEU A 59 -5.976 7.097 10.221 1.00 0.00 C ATOM 894 CG LEU A 59 -6.798 7.214 8.937 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.165 6.618 9.168 1.00 0.00 C ATOM 896 CD2 LEU A 59 -6.921 8.662 8.481 1.00 0.00 C ATOM 0 H LEU A 59 -3.970 6.908 8.773 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.118 9.065 10.160 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.611 6.073 10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.638 7.269 11.070 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.286 6.667 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.756 6.699 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.063 5.568 9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.665 7.156 9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.512 8.706 7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.412 9.248 9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.928 9.070 8.292 1.00 0.00 H new ATOM 908 N ASP A 60 -3.715 6.769 12.123 1.00 0.00 N ATOM 909 CA ASP A 60 -3.215 6.548 13.479 1.00 0.00 C ATOM 910 C ASP A 60 -2.574 5.173 13.595 1.00 0.00 C ATOM 911 O ASP A 60 -3.226 4.162 13.325 1.00 0.00 O ATOM 912 CB ASP A 60 -4.364 6.671 14.489 1.00 0.00 C ATOM 913 CG ASP A 60 -3.890 6.667 15.928 1.00 0.00 C ATOM 914 OD1 ASP A 60 -3.773 5.576 16.520 1.00 0.00 O ATOM 915 OD2 ASP A 60 -3.641 7.762 16.476 1.00 0.00 O ATOM 0 H ASP A 60 -3.649 5.957 11.509 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.461 7.305 13.696 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.913 7.592 14.296 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.062 5.847 14.340 1.00 0.00 H new ATOM 920 N VAL A 61 -1.304 5.134 13.993 1.00 0.00 N ATOM 921 CA VAL A 61 -0.586 3.869 14.134 1.00 0.00 C ATOM 922 C VAL A 61 0.839 4.096 14.675 1.00 0.00 C ATOM 923 O VAL A 61 1.775 3.354 14.363 1.00 0.00 O ATOM 924 CB VAL A 61 -0.522 3.129 12.772 1.00 0.00 C ATOM 925 CG1 VAL A 61 0.425 3.825 11.805 1.00 0.00 C ATOM 926 CG2 VAL A 61 -0.146 1.669 12.969 1.00 0.00 C ATOM 0 H VAL A 61 -0.752 5.961 14.223 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.131 3.254 14.850 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.516 3.160 12.325 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.446 3.280 10.861 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.081 4.844 11.629 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.428 3.850 12.232 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.107 1.170 12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.831 1.606 13.449 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.892 1.183 13.598 1.00 0.00 H new ATOM 936 N VAL A 62 1.007 5.088 15.530 1.00 0.00 N ATOM 937 CA VAL A 62 2.336 5.403 16.030 1.00 0.00 C ATOM 938 C VAL A 62 2.555 4.775 17.409 1.00 0.00 C ATOM 939 O VAL A 62 1.883 5.119 18.383 1.00 0.00 O ATOM 940 CB VAL A 62 2.597 6.931 16.058 1.00 0.00 C ATOM 941 CG1 VAL A 62 2.528 7.502 14.651 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.616 7.660 16.965 1.00 0.00 C ATOM 0 H VAL A 62 0.258 5.680 15.888 1.00 0.00 H new ATOM 0 HA VAL A 62 3.060 4.972 15.339 1.00 0.00 H new ATOM 0 HB VAL A 62 3.597 7.084 16.463 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.713 8.576 14.685 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.282 7.023 14.027 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.539 7.317 14.231 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.835 8.728 16.955 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.599 7.495 16.608 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.710 7.280 17.982 1.00 0.00 H new ATOM 952 N ASP A 63 3.481 3.820 17.477 1.00 0.00 N ATOM 953 CA ASP A 63 3.738 3.098 18.720 1.00 0.00 C ATOM 954 C ASP A 63 4.458 3.965 19.755 1.00 0.00 C ATOM 955 O ASP A 63 3.957 4.133 20.864 1.00 0.00 O ATOM 956 CB ASP A 63 4.545 1.819 18.461 1.00 0.00 C ATOM 957 CG ASP A 63 4.149 0.706 19.409 1.00 0.00 C ATOM 958 OD1 ASP A 63 3.050 0.147 19.243 1.00 0.00 O ATOM 959 OD2 ASP A 63 4.934 0.394 20.328 1.00 0.00 O ATOM 0 H ASP A 63 4.062 3.530 16.691 1.00 0.00 H new ATOM 0 HA ASP A 63 2.764 2.828 19.128 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.391 1.493 17.432 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.608 2.031 18.572 1.00 0.00 H new ATOM 964 N PRO A 64 5.639 4.532 19.428 1.00 0.00 N ATOM 965 CA PRO A 64 6.471 5.235 20.394 1.00 0.00 C ATOM 966 C PRO A 64 6.175 6.733 20.448 1.00 0.00 C ATOM 967 O PRO A 64 5.031 7.160 20.276 1.00 0.00 O ATOM 968 CB PRO A 64 7.894 4.983 19.855 1.00 0.00 C ATOM 969 CG PRO A 64 7.718 4.304 18.526 1.00 0.00 C ATOM 970 CD PRO A 64 6.297 4.554 18.122 1.00 0.00 C ATOM 0 HA PRO A 64 6.307 4.886 21.414 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.441 5.919 19.746 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.466 4.357 20.540 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.411 4.707 17.787 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.920 3.236 18.603 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.173 5.509 17.612 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.915 3.783 17.453 1.00 0.00 H new ATOM 978 N ASP A 65 7.222 7.521 20.668 1.00 0.00 N ATOM 979 CA ASP A 65 7.106 8.972 20.826 1.00 0.00 C ATOM 980 C ASP A 65 6.852 9.683 19.498 1.00 0.00 C ATOM 981 O ASP A 65 6.922 10.910 19.419 1.00 0.00 O ATOM 982 CB ASP A 65 8.380 9.523 21.470 1.00 0.00 C ATOM 983 CG ASP A 65 8.323 9.497 22.985 1.00 0.00 C ATOM 984 OD1 ASP A 65 8.211 8.396 23.567 1.00 0.00 O ATOM 985 OD2 ASP A 65 8.372 10.581 23.603 1.00 0.00 O ATOM 0 H ASP A 65 8.178 7.174 20.742 1.00 0.00 H new ATOM 0 HA ASP A 65 6.246 9.163 21.468 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.236 8.939 21.132 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.540 10.547 21.133 1.00 0.00 H new ATOM 990 N GLY A 66 6.561 8.914 18.461 1.00 0.00 N ATOM 991 CA GLY A 66 6.293 9.489 17.160 1.00 0.00 C ATOM 992 C GLY A 66 6.848 8.631 16.049 1.00 0.00 C ATOM 993 O GLY A 66 6.115 7.908 15.374 1.00 0.00 O ATOM 0 H GLY A 66 6.505 7.896 18.498 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.217 9.606 17.028 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.731 10.486 17.105 1.00 0.00 H new ATOM 997 N ASN A 67 8.157 8.700 15.890 1.00 0.00 N ATOM 998 CA ASN A 67 8.870 7.924 14.884 1.00 0.00 C ATOM 999 C ASN A 67 8.985 6.464 15.299 1.00 0.00 C ATOM 1000 O ASN A 67 8.684 6.117 16.438 1.00 0.00 O ATOM 1001 CB ASN A 67 10.269 8.510 14.683 1.00 0.00 C ATOM 1002 CG ASN A 67 10.923 8.875 16.006 1.00 0.00 C ATOM 1003 OD1 ASN A 67 11.601 7.927 16.631 1.00 0.00 O flip ATOM 1004 ND2 ASN A 67 10.811 10.010 16.466 1.00 0.00 N flip ATOM 0 H ASN A 67 8.760 9.297 16.455 1.00 0.00 H new ATOM 0 HA ASN A 67 8.309 7.973 13.951 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.893 7.788 14.156 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.205 9.397 14.052 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.280 10.717 15.957 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.249 10.245 17.357 1.00 0.00 H new ATOM 1011 N LEU A 68 9.406 5.623 14.356 1.00 0.00 N ATOM 1012 CA LEU A 68 9.703 4.208 14.613 1.00 0.00 C ATOM 1013 C LEU A 68 8.439 3.402 14.894 1.00 0.00 C ATOM 1014 O LEU A 68 8.476 2.383 15.585 1.00 0.00 O ATOM 1015 CB LEU A 68 10.702 4.053 15.773 1.00 0.00 C ATOM 1016 CG LEU A 68 12.190 4.130 15.399 1.00 0.00 C ATOM 1017 CD1 LEU A 68 12.635 2.860 14.689 1.00 0.00 C ATOM 1018 CD2 LEU A 68 12.466 5.339 14.525 1.00 0.00 C ATOM 0 H LEU A 68 9.553 5.902 13.386 1.00 0.00 H new ATOM 0 HA LEU A 68 10.157 3.810 13.705 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.493 4.827 16.511 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.519 3.094 16.257 1.00 0.00 H new ATOM 0 HG LEU A 68 12.761 4.232 16.322 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.692 2.937 14.434 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.482 2.003 15.345 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.050 2.728 13.778 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.526 5.372 14.273 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.878 5.268 13.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.193 6.247 15.063 1.00 0.00 H new ATOM 1030 N HIS A 69 7.321 3.839 14.328 1.00 0.00 N ATOM 1031 CA HIS A 69 6.087 3.067 14.401 1.00 0.00 C ATOM 1032 C HIS A 69 6.121 1.892 13.420 1.00 0.00 C ATOM 1033 O HIS A 69 5.361 1.841 12.455 1.00 0.00 O ATOM 1034 CB HIS A 69 4.861 3.961 14.134 1.00 0.00 C ATOM 1035 CG HIS A 69 4.999 4.907 12.968 1.00 0.00 C ATOM 1036 ND1 HIS A 69 5.483 6.171 12.912 1.00 0.00 N flip ATOM 1037 CD2 HIS A 69 4.588 4.604 11.686 1.00 0.00 C flip ATOM 1038 CE1 HIS A 69 5.354 6.604 11.618 1.00 0.00 C flip ATOM 1039 NE2 HIS A 69 4.813 5.641 10.897 1.00 0.00 N flip ATOM 0 H HIS A 69 7.243 4.718 13.817 1.00 0.00 H new ATOM 0 HA HIS A 69 6.001 2.667 15.411 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.995 3.321 13.962 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.654 4.544 15.032 1.00 0.00 H new ATOM 0 HD1 HIS A 69 5.872 6.703 13.690 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.151 3.666 11.376 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.648 7.576 11.249 1.00 0.00 H new ATOM 1048 N HIS A 70 7.023 0.953 13.681 1.00 0.00 N ATOM 1049 CA HIS A 70 7.125 -0.268 12.892 1.00 0.00 C ATOM 1050 C HIS A 70 6.210 -1.350 13.474 1.00 0.00 C ATOM 1051 O HIS A 70 5.415 -1.967 12.756 1.00 0.00 O ATOM 1052 CB HIS A 70 8.584 -0.750 12.860 1.00 0.00 C ATOM 1053 CG HIS A 70 8.857 -1.821 11.845 1.00 0.00 C ATOM 1054 ND1 HIS A 70 8.101 -2.864 11.433 1.00 0.00 N flip ATOM 1055 CD2 HIS A 70 10.040 -1.915 11.148 1.00 0.00 C flip ATOM 1056 CE1 HIS A 70 8.833 -3.569 10.511 1.00 0.00 C flip ATOM 1057 NE2 HIS A 70 10.000 -2.970 10.358 1.00 0.00 N flip ATOM 0 H HIS A 70 7.700 1.016 14.441 1.00 0.00 H new ATOM 0 HA HIS A 70 6.805 -0.061 11.871 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.232 0.102 12.655 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.853 -1.124 13.848 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.871 -1.231 11.235 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.510 -4.462 9.997 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.747 -3.273 9.733 1.00 0.00 H new ATOM 1066 N GLY A 71 6.328 -1.550 14.788 1.00 0.00 N ATOM 1067 CA GLY A 71 5.583 -2.596 15.476 1.00 0.00 C ATOM 1068 C GLY A 71 4.090 -2.463 15.286 1.00 0.00 C ATOM 1069 O GLY A 71 3.420 -3.412 14.875 1.00 0.00 O ATOM 0 H GLY A 71 6.935 -0.998 15.394 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.907 -3.570 15.109 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.815 -2.563 16.541 1.00 0.00 H new ATOM 1073 N ASN A 72 3.579 -1.274 15.565 1.00 0.00 N ATOM 1074 CA ASN A 72 2.143 -1.006 15.498 1.00 0.00 C ATOM 1075 C ASN A 72 1.589 -1.267 14.098 1.00 0.00 C ATOM 1076 O ASN A 72 0.480 -1.765 13.958 1.00 0.00 O ATOM 1077 CB ASN A 72 1.864 0.458 15.885 1.00 0.00 C ATOM 1078 CG ASN A 72 0.585 0.651 16.685 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -0.514 0.613 16.137 1.00 0.00 O ATOM 1080 ND2 ASN A 72 0.719 0.928 17.980 1.00 0.00 N ATOM 0 H ASN A 72 4.140 -0.469 15.843 1.00 0.00 H new ATOM 0 HA ASN A 72 1.648 -1.680 16.197 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.705 0.836 16.466 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.807 1.059 14.977 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.106 1.117 18.549 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.647 0.951 18.403 1.00 0.00 H new ATOM 1087 N ALA A 73 2.375 -0.971 13.064 1.00 0.00 N ATOM 1088 CA ALA A 73 1.901 -1.113 11.697 1.00 0.00 C ATOM 1089 C ALA A 73 1.780 -2.578 11.310 1.00 0.00 C ATOM 1090 O ALA A 73 0.834 -2.981 10.628 1.00 0.00 O ATOM 1091 CB ALA A 73 2.835 -0.388 10.740 1.00 0.00 C ATOM 0 H ALA A 73 3.334 -0.635 13.150 1.00 0.00 H new ATOM 0 HA ALA A 73 0.910 -0.664 11.632 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.470 -0.501 9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.870 0.671 10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.836 -0.813 10.817 1.00 0.00 H new ATOM 1097 N LYS A 74 2.709 -3.393 11.785 1.00 0.00 N ATOM 1098 CA LYS A 74 2.683 -4.801 11.444 1.00 0.00 C ATOM 1099 C LYS A 74 1.684 -5.549 12.312 1.00 0.00 C ATOM 1100 O LYS A 74 1.017 -6.464 11.835 1.00 0.00 O ATOM 1101 CB LYS A 74 4.073 -5.426 11.542 1.00 0.00 C ATOM 1102 CG LYS A 74 5.020 -4.931 10.459 1.00 0.00 C ATOM 1103 CD LYS A 74 4.407 -5.019 9.060 1.00 0.00 C ATOM 1104 CE LYS A 74 4.334 -6.452 8.527 1.00 0.00 C ATOM 1105 NZ LYS A 74 3.330 -7.288 9.246 1.00 0.00 N ATOM 0 H LYS A 74 3.475 -3.109 12.396 1.00 0.00 H new ATOM 0 HA LYS A 74 2.360 -4.885 10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.499 -5.203 12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.985 -6.510 11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.296 -3.897 10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.938 -5.518 10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.404 -4.594 9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.996 -4.411 8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.086 -6.427 7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.316 -6.917 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.913 -7.974 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.795 -7.796 10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.581 -6.677 9.630 1.00 0.00 H new ATOM 1119 N ASP A 75 1.572 -5.150 13.574 1.00 0.00 N ATOM 1120 CA ASP A 75 0.574 -5.733 14.468 1.00 0.00 C ATOM 1121 C ASP A 75 -0.833 -5.387 13.993 1.00 0.00 C ATOM 1122 O ASP A 75 -1.730 -6.235 13.996 1.00 0.00 O ATOM 1123 CB ASP A 75 0.775 -5.247 15.903 1.00 0.00 C ATOM 1124 CG ASP A 75 -0.283 -5.792 16.844 1.00 0.00 C ATOM 1125 OD1 ASP A 75 -0.162 -6.961 17.275 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -1.237 -5.055 17.161 1.00 0.00 O ATOM 0 H ASP A 75 2.155 -4.430 14.001 1.00 0.00 H new ATOM 0 HA ASP A 75 0.698 -6.816 14.450 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.762 -5.550 16.253 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.751 -4.157 15.923 1.00 0.00 H new ATOM 1131 N PHE A 76 -1.011 -4.142 13.556 1.00 0.00 N ATOM 1132 CA PHE A 76 -2.292 -3.679 13.043 1.00 0.00 C ATOM 1133 C PHE A 76 -2.697 -4.502 11.828 1.00 0.00 C ATOM 1134 O PHE A 76 -3.865 -4.840 11.658 1.00 0.00 O ATOM 1135 CB PHE A 76 -2.212 -2.192 12.677 1.00 0.00 C ATOM 1136 CG PHE A 76 -3.534 -1.571 12.325 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.405 -1.158 13.320 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -3.905 -1.395 11.000 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.620 -0.584 13.003 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -5.120 -0.820 10.677 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.978 -0.414 11.680 1.00 0.00 C ATOM 0 H PHE A 76 -0.277 -3.434 13.548 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.047 -3.805 13.819 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.779 -1.646 13.515 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.532 -2.073 11.834 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.130 -1.287 14.356 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.237 -1.711 10.212 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.290 -0.268 13.789 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.398 -0.688 9.642 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.928 0.036 11.430 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.715 -4.849 11.005 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.961 -5.671 9.826 1.00 0.00 C ATOM 1153 C ALA A 77 -2.303 -7.107 10.213 1.00 0.00 C ATOM 1154 O ALA A 77 -3.087 -7.764 9.536 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.741 -5.669 8.922 1.00 0.00 C ATOM 0 H ALA A 77 -0.741 -4.574 11.132 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.812 -5.243 9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.937 -6.286 8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.524 -4.649 8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.115 -6.071 9.465 1.00 0.00 H new ATOM 1161 N MET A 78 -1.703 -7.590 11.295 1.00 0.00 N ATOM 1162 CA MET A 78 -1.920 -8.967 11.738 1.00 0.00 C ATOM 1163 C MET A 78 -3.287 -9.145 12.380 1.00 0.00 C ATOM 1164 O MET A 78 -3.907 -10.199 12.258 1.00 0.00 O ATOM 1165 CB MET A 78 -0.835 -9.415 12.722 1.00 0.00 C ATOM 1166 CG MET A 78 0.555 -9.435 12.121 1.00 0.00 C ATOM 1167 SD MET A 78 1.800 -10.139 13.222 1.00 0.00 S ATOM 1168 CE MET A 78 1.652 -9.062 14.647 1.00 0.00 C ATOM 0 H MET A 78 -1.064 -7.053 11.881 1.00 0.00 H new ATOM 0 HA MET A 78 -1.871 -9.590 10.845 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.840 -8.748 13.584 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.078 -10.412 13.089 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.534 -10.008 11.194 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.845 -8.417 11.860 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.212 -9.484 15.481 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.051 -8.078 14.402 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.602 -8.969 14.925 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.757 -8.135 13.082 1.00 0.00 N ATOM 1179 CA LYS A 79 -5.053 -8.240 13.723 1.00 0.00 C ATOM 1180 C LYS A 79 -6.154 -7.665 12.828 1.00 0.00 C ATOM 1181 O LYS A 79 -7.341 -7.798 13.126 1.00 0.00 O ATOM 1182 CB LYS A 79 -5.029 -7.555 15.091 1.00 0.00 C ATOM 1183 CG LYS A 79 -6.113 -8.057 16.028 1.00 0.00 C ATOM 1184 CD LYS A 79 -5.803 -7.718 17.474 1.00 0.00 C ATOM 1185 CE LYS A 79 -6.732 -8.448 18.430 1.00 0.00 C ATOM 1186 NZ LYS A 79 -6.324 -8.268 19.849 1.00 0.00 N ATOM 0 H LYS A 79 -3.273 -7.248 13.222 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.277 -9.295 13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.055 -7.715 15.553 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.145 -6.480 14.954 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.070 -7.616 15.748 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.216 -9.137 15.921 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.769 -7.982 17.697 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.897 -6.643 17.625 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.750 -8.082 18.296 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.740 -9.511 18.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.984 -8.782 20.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.362 -8.640 19.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.341 -7.256 20.089 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.756 -7.023 11.730 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.716 -6.446 10.787 1.00 0.00 C ATOM 1202 C HIS A 80 -6.236 -6.629 9.346 1.00 0.00 C ATOM 1203 O HIS A 80 -5.538 -5.773 8.807 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.924 -4.947 11.068 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.249 -4.633 12.497 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -8.500 -4.811 13.041 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.466 -4.176 13.502 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -8.474 -4.479 14.317 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -7.249 -4.091 14.623 1.00 0.00 N ATOM 0 H HIS A 80 -4.778 -6.889 11.471 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.664 -6.969 10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.021 -4.406 10.784 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.730 -4.577 10.433 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.418 -3.925 13.433 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.312 -4.518 14.997 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.937 -3.779 15.543 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.588 -7.752 8.729 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.225 -7.973 7.340 1.00 0.00 C ATOM 1220 C GLY A 81 -5.555 -9.309 7.120 1.00 0.00 C ATOM 1221 O GLY A 81 -6.164 -10.238 6.589 1.00 0.00 O ATOM 0 H GLY A 81 -7.115 -8.510 9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.120 -7.913 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.556 -7.177 7.012 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.304 -9.411 7.527 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.547 -10.638 7.357 1.00 0.00 C ATOM 1227 C ALA A 82 -3.362 -11.325 8.687 1.00 0.00 C ATOM 1228 O ALA A 82 -3.141 -10.666 9.690 1.00 0.00 O ATOM 1229 CB ALA A 82 -2.187 -10.352 6.740 1.00 0.00 C ATOM 0 H ALA A 82 -3.788 -8.656 7.979 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.107 -11.291 6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.637 -11.286 6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.321 -9.884 5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.626 -9.681 7.390 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.447 -12.639 8.710 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.157 -13.355 9.937 1.00 0.00 C ATOM 1237 C ASP A 83 -1.680 -13.431 10.109 1.00 0.00 C ATOM 1238 O ASP A 83 -0.912 -13.171 9.175 1.00 0.00 O ATOM 1239 CB ASP A 83 -3.793 -14.732 9.989 1.00 0.00 C ATOM 1240 CG ASP A 83 -2.957 -15.819 9.365 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -3.115 -16.082 8.157 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.166 -16.438 10.101 1.00 0.00 O ATOM 0 H ASP A 83 -3.708 -13.222 7.915 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.601 -12.803 10.765 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.989 -14.991 11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.758 -14.694 9.483 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.281 -13.783 11.298 1.00 0.00 N ATOM 1248 CA GLU A 84 0.056 -13.597 11.703 1.00 0.00 C ATOM 1249 C GLU A 84 0.982 -14.502 10.918 1.00 0.00 C ATOM 1250 O GLU A 84 2.161 -14.227 10.768 1.00 0.00 O ATOM 1251 CB GLU A 84 0.141 -13.820 13.199 1.00 0.00 C ATOM 1252 CG GLU A 84 0.050 -15.260 13.644 1.00 0.00 C ATOM 1253 CD GLU A 84 0.177 -15.396 15.145 1.00 0.00 C ATOM 1254 OE1 GLU A 84 1.317 -15.383 15.652 1.00 0.00 O ATOM 1255 OE2 GLU A 84 -0.858 -15.517 15.830 1.00 0.00 O ATOM 0 H GLU A 84 -1.884 -14.206 12.003 1.00 0.00 H new ATOM 0 HA GLU A 84 0.382 -12.579 11.492 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.083 -13.405 13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.659 -13.257 13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.902 -15.680 13.321 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.835 -15.840 13.159 1.00 0.00 H new ATOM 1262 N THR A 85 0.415 -15.552 10.370 1.00 0.00 N ATOM 1263 CA THR A 85 1.182 -16.510 9.606 1.00 0.00 C ATOM 1264 C THR A 85 1.599 -15.885 8.261 1.00 0.00 C ATOM 1265 O THR A 85 2.667 -16.189 7.724 1.00 0.00 O ATOM 1266 CB THR A 85 0.380 -17.815 9.407 1.00 0.00 C ATOM 1267 OG1 THR A 85 1.257 -18.950 9.421 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.409 -17.805 8.107 1.00 0.00 C ATOM 0 H THR A 85 -0.580 -15.765 10.439 1.00 0.00 H new ATOM 0 HA THR A 85 2.087 -16.770 10.156 1.00 0.00 H new ATOM 0 HB THR A 85 -0.326 -17.885 10.234 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.734 -19.769 9.296 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.958 -18.741 8.007 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.111 -16.971 8.114 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.276 -17.695 7.266 1.00 0.00 H new ATOM 1276 N MET A 86 0.791 -14.935 7.760 1.00 0.00 N ATOM 1277 CA MET A 86 1.078 -14.292 6.482 1.00 0.00 C ATOM 1278 C MET A 86 2.057 -13.172 6.726 1.00 0.00 C ATOM 1279 O MET A 86 2.988 -12.946 5.954 1.00 0.00 O ATOM 1280 CB MET A 86 -0.187 -13.715 5.833 1.00 0.00 C ATOM 1281 CG MET A 86 -1.357 -14.673 5.782 1.00 0.00 C ATOM 1282 SD MET A 86 -2.849 -13.875 5.153 1.00 0.00 S ATOM 1283 CE MET A 86 -3.991 -15.253 5.106 1.00 0.00 C ATOM 0 H MET A 86 -0.056 -14.603 8.221 1.00 0.00 H new ATOM 0 HA MET A 86 1.488 -15.040 5.804 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.488 -12.823 6.382 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.052 -13.399 4.818 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.104 -15.522 5.148 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.548 -15.067 6.780 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.755 -15.067 4.351 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.450 -16.166 4.857 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.464 -15.367 6.081 1.00 0.00 H new ATOM 1293 N ALA A 87 1.838 -12.481 7.826 1.00 0.00 N ATOM 1294 CA ALA A 87 2.699 -11.402 8.225 1.00 0.00 C ATOM 1295 C ALA A 87 4.078 -11.944 8.561 1.00 0.00 C ATOM 1296 O ALA A 87 5.085 -11.341 8.218 1.00 0.00 O ATOM 1297 CB ALA A 87 2.095 -10.677 9.411 1.00 0.00 C ATOM 0 H ALA A 87 1.060 -12.655 8.462 1.00 0.00 H new ATOM 0 HA ALA A 87 2.801 -10.691 7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.751 -9.860 9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.120 -10.277 9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.979 -11.373 10.242 1.00 0.00 H new ATOM 1303 N GLN A 88 4.109 -13.116 9.180 1.00 0.00 N ATOM 1304 CA GLN A 88 5.360 -13.696 9.668 1.00 0.00 C ATOM 1305 C GLN A 88 6.174 -14.318 8.539 1.00 0.00 C ATOM 1306 O GLN A 88 7.400 -14.386 8.623 1.00 0.00 O ATOM 1307 CB GLN A 88 5.084 -14.729 10.763 1.00 0.00 C ATOM 1308 CG GLN A 88 5.243 -14.178 12.175 1.00 0.00 C ATOM 1309 CD GLN A 88 4.589 -12.819 12.368 1.00 0.00 C ATOM 1310 OE1 GLN A 88 5.214 -11.782 12.147 1.00 0.00 O ATOM 1311 NE2 GLN A 88 3.334 -12.805 12.785 1.00 0.00 N ATOM 0 H GLN A 88 3.283 -13.687 9.358 1.00 0.00 H new ATOM 0 HA GLN A 88 5.953 -12.885 10.092 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.070 -15.111 10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.761 -15.574 10.633 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.812 -14.885 12.884 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.305 -14.099 12.409 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.845 -13.683 12.959 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.856 -11.916 12.933 1.00 0.00 H new ATOM 1320 N GLN A 89 5.508 -14.758 7.477 1.00 0.00 N ATOM 1321 CA GLN A 89 6.232 -15.222 6.297 1.00 0.00 C ATOM 1322 C GLN A 89 6.689 -14.030 5.455 1.00 0.00 C ATOM 1323 O GLN A 89 7.666 -14.117 4.711 1.00 0.00 O ATOM 1324 CB GLN A 89 5.386 -16.190 5.455 1.00 0.00 C ATOM 1325 CG GLN A 89 4.112 -15.587 4.884 1.00 0.00 C ATOM 1326 CD GLN A 89 3.360 -16.549 3.984 1.00 0.00 C ATOM 1327 OE1 GLN A 89 2.046 -16.414 3.940 1.00 0.00 O flip ATOM 1328 NE2 GLN A 89 3.953 -17.407 3.336 1.00 0.00 N flip ATOM 0 H GLN A 89 4.491 -14.804 7.407 1.00 0.00 H new ATOM 0 HA GLN A 89 7.110 -15.771 6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.996 -16.563 4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.121 -17.050 6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.462 -15.279 5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.362 -14.688 4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.969 -17.480 3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.430 -18.046 2.738 1.00 0.00 H new ATOM 1337 N LEU A 90 5.989 -12.907 5.598 1.00 0.00 N ATOM 1338 CA LEU A 90 6.326 -11.692 4.866 1.00 0.00 C ATOM 1339 C LEU A 90 7.469 -10.936 5.548 1.00 0.00 C ATOM 1340 O LEU A 90 8.421 -10.519 4.891 1.00 0.00 O ATOM 1341 CB LEU A 90 5.091 -10.786 4.756 1.00 0.00 C ATOM 1342 CG LEU A 90 5.294 -9.453 4.026 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.406 -9.658 2.524 1.00 0.00 C ATOM 1344 CD2 LEU A 90 4.153 -8.501 4.349 1.00 0.00 C ATOM 0 H LEU A 90 5.183 -12.815 6.216 1.00 0.00 H new ATOM 0 HA LEU A 90 6.655 -11.978 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.304 -11.340 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.730 -10.574 5.763 1.00 0.00 H new ATOM 0 HG LEU A 90 6.230 -9.015 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.549 -8.694 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.256 -10.305 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.493 -10.122 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.307 -7.557 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.209 -8.943 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.124 -8.319 5.423 1.00 0.00 H new ATOM 1356 N VAL A 91 7.373 -10.783 6.873 1.00 0.00 N ATOM 1357 CA VAL A 91 8.345 -10.000 7.648 1.00 0.00 C ATOM 1358 C VAL A 91 9.765 -10.522 7.474 1.00 0.00 C ATOM 1359 O VAL A 91 10.721 -9.746 7.478 1.00 0.00 O ATOM 1360 CB VAL A 91 8.003 -9.989 9.157 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.731 -9.203 9.433 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.888 -11.400 9.686 1.00 0.00 C ATOM 0 H VAL A 91 6.627 -11.193 7.435 1.00 0.00 H new ATOM 0 HA VAL A 91 8.287 -8.984 7.258 1.00 0.00 H new ATOM 0 HB VAL A 91 8.818 -9.489 9.680 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.520 -9.216 10.502 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.861 -8.173 9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.899 -9.656 8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.647 -11.372 10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.099 -11.927 9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.835 -11.921 9.542 1.00 0.00 H new ATOM 1372 N ASP A 92 9.892 -11.829 7.306 1.00 0.00 N ATOM 1373 CA ASP A 92 11.189 -12.460 7.152 1.00 0.00 C ATOM 1374 C ASP A 92 11.858 -11.989 5.864 1.00 0.00 C ATOM 1375 O ASP A 92 13.034 -11.609 5.862 1.00 0.00 O ATOM 1376 CB ASP A 92 11.031 -13.981 7.178 1.00 0.00 C ATOM 1377 CG ASP A 92 12.244 -14.710 6.634 1.00 0.00 C ATOM 1378 OD1 ASP A 92 13.339 -14.576 7.222 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.113 -15.416 5.616 1.00 0.00 O ATOM 0 H ASP A 92 9.104 -12.476 7.273 1.00 0.00 H new ATOM 0 HA ASP A 92 11.833 -12.171 7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.848 -14.305 8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.154 -14.260 6.594 1.00 0.00 H new ATOM 1384 N ILE A 93 11.091 -11.960 4.781 1.00 0.00 N ATOM 1385 CA ILE A 93 11.584 -11.433 3.518 1.00 0.00 C ATOM 1386 C ILE A 93 11.809 -9.936 3.641 1.00 0.00 C ATOM 1387 O ILE A 93 12.804 -9.404 3.136 1.00 0.00 O ATOM 1388 CB ILE A 93 10.605 -11.715 2.348 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.863 -13.089 1.731 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.723 -10.646 1.274 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.792 -14.239 2.714 1.00 0.00 C ATOM 0 H ILE A 93 10.128 -12.295 4.753 1.00 0.00 H new ATOM 0 HA ILE A 93 12.524 -11.938 3.295 1.00 0.00 H new ATOM 0 HB ILE A 93 9.595 -11.699 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.136 -13.260 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.848 -13.085 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.027 -10.865 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.486 -9.672 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.741 -10.633 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.987 -15.176 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.538 -14.096 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.799 -14.273 3.163 1.00 0.00 H new ATOM 1403 N ILE A 94 10.888 -9.268 4.332 1.00 0.00 N ATOM 1404 CA ILE A 94 10.979 -7.830 4.528 1.00 0.00 C ATOM 1405 C ILE A 94 12.321 -7.466 5.135 1.00 0.00 C ATOM 1406 O ILE A 94 13.032 -6.637 4.603 1.00 0.00 O ATOM 1407 CB ILE A 94 9.858 -7.296 5.449 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.493 -7.440 4.780 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.112 -5.839 5.813 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.347 -6.997 5.663 1.00 0.00 C ATOM 0 H ILE A 94 10.072 -9.702 4.764 1.00 0.00 H new ATOM 0 HA ILE A 94 10.869 -7.370 3.546 1.00 0.00 H new ATOM 0 HB ILE A 94 9.860 -7.890 6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.482 -6.854 3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.343 -8.482 4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.312 -5.481 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.066 -5.755 6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.140 -5.237 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.406 -7.125 5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.333 -7.600 6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.475 -5.947 5.926 1.00 0.00 H new ATOM 1422 N HIS A 95 12.687 -8.152 6.207 1.00 0.00 N ATOM 1423 CA HIS A 95 13.897 -7.818 6.954 1.00 0.00 C ATOM 1424 C HIS A 95 15.154 -8.193 6.183 1.00 0.00 C ATOM 1425 O HIS A 95 16.162 -7.488 6.243 1.00 0.00 O ATOM 1426 CB HIS A 95 13.908 -8.507 8.321 1.00 0.00 C ATOM 1427 CG HIS A 95 12.773 -8.102 9.212 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.467 -8.760 10.382 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.866 -7.102 9.099 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.424 -8.187 10.947 1.00 0.00 C ATOM 1431 NE2 HIS A 95 11.039 -7.177 10.191 1.00 0.00 N ATOM 0 H HIS A 95 12.165 -8.944 6.582 1.00 0.00 H new ATOM 0 HA HIS A 95 13.891 -6.738 7.100 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.874 -9.586 8.174 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.849 -8.283 8.823 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.805 -6.380 8.298 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.962 -8.493 11.874 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.255 -6.554 10.386 1.00 0.00 H new ATOM 1440 N GLY A 96 15.082 -9.271 5.414 1.00 0.00 N ATOM 1441 CA GLY A 96 16.268 -9.760 4.753 1.00 0.00 C ATOM 1442 C GLY A 96 16.561 -8.988 3.491 1.00 0.00 C ATOM 1443 O GLY A 96 17.678 -8.503 3.294 1.00 0.00 O ATOM 0 H GLY A 96 14.233 -9.808 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.119 -9.687 5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.142 -10.816 4.513 1.00 0.00 H new ATOM 1447 N CYS A 97 15.554 -8.830 2.649 1.00 0.00 N ATOM 1448 CA CYS A 97 15.736 -8.104 1.416 1.00 0.00 C ATOM 1449 C CYS A 97 15.868 -6.601 1.684 1.00 0.00 C ATOM 1450 O CYS A 97 16.518 -5.897 0.918 1.00 0.00 O ATOM 1451 CB CYS A 97 14.621 -8.423 0.412 1.00 0.00 C ATOM 1452 SG CYS A 97 15.252 -8.978 -1.210 1.00 0.00 S ATOM 0 H CYS A 97 14.613 -9.193 2.799 1.00 0.00 H new ATOM 0 HA CYS A 97 16.670 -8.432 0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.976 -9.197 0.828 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.003 -7.536 0.270 1.00 0.00 H new ATOM 1457 N GLU A 98 15.251 -6.102 2.769 1.00 0.00 N ATOM 1458 CA GLU A 98 15.494 -4.726 3.217 1.00 0.00 C ATOM 1459 C GLU A 98 16.953 -4.518 3.610 1.00 0.00 C ATOM 1460 O GLU A 98 17.536 -3.468 3.331 1.00 0.00 O ATOM 1461 CB GLU A 98 14.596 -4.387 4.409 1.00 0.00 C ATOM 1462 CG GLU A 98 14.919 -3.072 5.088 1.00 0.00 C ATOM 1463 CD GLU A 98 14.046 -2.820 6.298 1.00 0.00 C ATOM 1464 OE1 GLU A 98 14.224 -3.510 7.323 1.00 0.00 O ATOM 1465 OE2 GLU A 98 13.171 -1.932 6.228 1.00 0.00 O ATOM 0 H GLU A 98 14.590 -6.625 3.343 1.00 0.00 H new ATOM 0 HA GLU A 98 15.261 -4.064 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.560 -4.361 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.672 -5.189 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.966 -3.070 5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.792 -2.257 4.375 1.00 0.00 H new ATOM 1472 N LYS A 99 17.542 -5.519 4.247 1.00 0.00 N ATOM 1473 CA LYS A 99 18.927 -5.432 4.659 1.00 0.00 C ATOM 1474 C LYS A 99 19.846 -5.410 3.441 1.00 0.00 C ATOM 1475 O LYS A 99 20.888 -4.754 3.447 1.00 0.00 O ATOM 1476 CB LYS A 99 19.281 -6.606 5.570 1.00 0.00 C ATOM 1477 CG LYS A 99 20.660 -6.487 6.178 1.00 0.00 C ATOM 1478 CD LYS A 99 20.760 -5.276 7.092 1.00 0.00 C ATOM 1479 CE LYS A 99 22.147 -5.142 7.697 1.00 0.00 C ATOM 1480 NZ LYS A 99 22.547 -6.363 8.443 1.00 0.00 N ATOM 0 H LYS A 99 17.081 -6.396 4.487 1.00 0.00 H new ATOM 0 HA LYS A 99 19.067 -4.504 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.542 -6.674 6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 99 19.220 -7.533 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.890 -7.391 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.404 -6.409 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.520 -4.374 6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.022 -5.360 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 99 22.871 -4.947 6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.169 -4.283 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 23.379 -6.153 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.761 -6.671 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.781 -7.120 7.770 1.00 0.00 H new ATOM 1494 N SER A 100 19.447 -6.117 2.397 1.00 0.00 N ATOM 1495 CA SER A 100 20.239 -6.184 1.178 1.00 0.00 C ATOM 1496 C SER A 100 19.749 -5.171 0.141 1.00 0.00 C ATOM 1497 O SER A 100 20.189 -5.181 -1.007 1.00 0.00 O ATOM 1498 CB SER A 100 20.169 -7.596 0.605 1.00 0.00 C ATOM 1499 OG SER A 100 20.295 -8.563 1.635 1.00 0.00 O ATOM 0 H SER A 100 18.580 -6.653 2.368 1.00 0.00 H new ATOM 0 HA SER A 100 21.272 -5.937 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.222 -7.735 0.083 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.962 -7.735 -0.130 1.00 0.00 H new ATOM 0 HG SER A 100 19.452 -8.624 2.131 1.00 0.00 H new ATOM 1505 N ALA A 101 18.841 -4.295 0.553 1.00 0.00 N ATOM 1506 CA ALA A 101 18.276 -3.298 -0.349 1.00 0.00 C ATOM 1507 C ALA A 101 19.282 -2.187 -0.622 1.00 0.00 C ATOM 1508 O ALA A 101 20.197 -1.971 0.177 1.00 0.00 O ATOM 1509 CB ALA A 101 16.993 -2.724 0.235 1.00 0.00 C ATOM 0 H ALA A 101 18.480 -4.254 1.506 1.00 0.00 H new ATOM 0 HA ALA A 101 18.040 -3.784 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.582 -1.981 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.268 -3.525 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.208 -2.254 1.195 1.00 0.00 H new ATOM 1515 N PRO A 102 19.146 -1.489 -1.766 1.00 0.00 N ATOM 1516 CA PRO A 102 19.996 -0.346 -2.114 1.00 0.00 C ATOM 1517 C PRO A 102 20.188 0.616 -0.942 1.00 0.00 C ATOM 1518 O PRO A 102 19.249 0.881 -0.191 1.00 0.00 O ATOM 1519 CB PRO A 102 19.214 0.333 -3.237 1.00 0.00 C ATOM 1520 CG PRO A 102 18.483 -0.778 -3.904 1.00 0.00 C ATOM 1521 CD PRO A 102 18.152 -1.771 -2.823 1.00 0.00 C ATOM 0 HA PRO A 102 21.004 -0.653 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 102 18.526 1.082 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 102 19.880 0.844 -3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 102 17.577 -0.413 -4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.096 -1.237 -4.680 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.133 -1.640 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.232 -2.796 -3.184 1.00 0.00 H new ATOM 1529 N PRO A 103 21.410 1.153 -0.780 1.00 0.00 N ATOM 1530 CA PRO A 103 21.772 2.041 0.342 1.00 0.00 C ATOM 1531 C PRO A 103 21.103 3.419 0.278 1.00 0.00 C ATOM 1532 O PRO A 103 21.610 4.394 0.835 1.00 0.00 O ATOM 1533 CB PRO A 103 23.295 2.189 0.211 1.00 0.00 C ATOM 1534 CG PRO A 103 23.718 1.122 -0.740 1.00 0.00 C ATOM 1535 CD PRO A 103 22.557 0.919 -1.664 1.00 0.00 C ATOM 0 HA PRO A 103 21.440 1.620 1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.563 3.177 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.785 2.071 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 103 24.610 1.420 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 103 23.963 0.201 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.575 1.618 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.545 -0.085 -2.088 1.00 0.00 H new ATOM 1543 N ASN A 104 19.968 3.493 -0.396 1.00 0.00 N ATOM 1544 CA ASN A 104 19.151 4.695 -0.396 1.00 0.00 C ATOM 1545 C ASN A 104 17.892 4.425 0.410 1.00 0.00 C ATOM 1546 O ASN A 104 16.914 3.882 -0.110 1.00 0.00 O ATOM 1547 CB ASN A 104 18.782 5.125 -1.824 1.00 0.00 C ATOM 1548 CG ASN A 104 19.987 5.534 -2.650 1.00 0.00 C ATOM 1549 OD1 ASN A 104 20.990 6.011 -2.118 1.00 0.00 O ATOM 1550 ND2 ASN A 104 19.896 5.365 -3.960 1.00 0.00 N ATOM 0 H ASN A 104 19.589 2.728 -0.955 1.00 0.00 H new ATOM 0 HA ASN A 104 19.720 5.509 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 104 18.268 4.304 -2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 104 18.081 5.958 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 104 20.673 5.633 -4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 104 19.049 4.967 -4.365 1.00 0.00 H new ATOM 1557 N ASP A 105 17.932 4.771 1.688 1.00 0.00 N ATOM 1558 CA ASP A 105 16.838 4.463 2.599 1.00 0.00 C ATOM 1559 C ASP A 105 15.661 5.404 2.391 1.00 0.00 C ATOM 1560 O ASP A 105 15.639 6.519 2.911 1.00 0.00 O ATOM 1561 CB ASP A 105 17.307 4.523 4.056 1.00 0.00 C ATOM 1562 CG ASP A 105 16.198 4.188 5.037 1.00 0.00 C ATOM 1563 OD1 ASP A 105 15.865 2.992 5.181 1.00 0.00 O ATOM 1564 OD2 ASP A 105 15.653 5.118 5.673 1.00 0.00 O ATOM 0 H ASP A 105 18.712 5.267 2.119 1.00 0.00 H new ATOM 0 HA ASP A 105 16.507 3.448 2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.135 3.828 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.689 5.521 4.271 1.00 0.00 H new ATOM 1569 N ASP A 106 14.709 4.959 1.589 1.00 0.00 N ATOM 1570 CA ASP A 106 13.447 5.664 1.417 1.00 0.00 C ATOM 1571 C ASP A 106 12.305 4.748 1.808 1.00 0.00 C ATOM 1572 O ASP A 106 12.208 3.638 1.284 1.00 0.00 O ATOM 1573 CB ASP A 106 13.256 6.134 -0.027 1.00 0.00 C ATOM 1574 CG ASP A 106 11.861 6.688 -0.264 1.00 0.00 C ATOM 1575 OD1 ASP A 106 11.650 7.900 -0.041 1.00 0.00 O ATOM 1576 OD2 ASP A 106 10.967 5.913 -0.660 1.00 0.00 O ATOM 0 H ASP A 106 14.787 4.103 1.040 1.00 0.00 H new ATOM 0 HA ASP A 106 13.460 6.546 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 106 13.995 6.901 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.436 5.301 -0.707 1.00 0.00 H new ATOM 1581 N LYS A 107 11.477 5.213 2.744 1.00 0.00 N ATOM 1582 CA LYS A 107 10.336 4.440 3.267 1.00 0.00 C ATOM 1583 C LYS A 107 9.659 3.519 2.222 1.00 0.00 C ATOM 1584 O LYS A 107 9.485 2.327 2.485 1.00 0.00 O ATOM 1585 CB LYS A 107 9.304 5.381 3.935 1.00 0.00 C ATOM 1586 CG LYS A 107 8.243 5.989 3.015 1.00 0.00 C ATOM 1587 CD LYS A 107 8.823 6.936 1.973 1.00 0.00 C ATOM 1588 CE LYS A 107 9.371 8.207 2.594 1.00 0.00 C ATOM 1589 NZ LYS A 107 9.846 9.155 1.555 1.00 0.00 N ATOM 0 H LYS A 107 11.574 6.137 3.165 1.00 0.00 H new ATOM 0 HA LYS A 107 10.750 3.766 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.795 4.826 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 107 9.845 6.195 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.707 5.186 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.513 6.527 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.618 6.429 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.051 7.192 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.597 8.683 3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.192 7.960 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.464 9.868 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.377 8.635 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.030 9.627 1.117 1.00 0.00 H new ATOM 1603 N CYS A 108 9.287 4.038 1.046 1.00 0.00 N ATOM 1604 CA CYS A 108 8.589 3.232 0.060 1.00 0.00 C ATOM 1605 C CYS A 108 9.523 2.561 -0.943 1.00 0.00 C ATOM 1606 O CYS A 108 9.222 1.471 -1.413 1.00 0.00 O ATOM 1607 CB CYS A 108 7.563 4.074 -0.685 1.00 0.00 C ATOM 1608 SG CYS A 108 6.151 4.609 0.342 1.00 0.00 S ATOM 0 H CYS A 108 9.459 5.003 0.764 1.00 0.00 H new ATOM 0 HA CYS A 108 8.091 2.437 0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 108 8.058 4.956 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.186 3.502 -1.533 1.00 0.00 H new ATOM 1613 N MET A 109 10.663 3.173 -1.263 1.00 0.00 N ATOM 1614 CA MET A 109 11.547 2.597 -2.268 1.00 0.00 C ATOM 1615 C MET A 109 12.034 1.223 -1.815 1.00 0.00 C ATOM 1616 O MET A 109 11.980 0.225 -2.556 1.00 0.00 O ATOM 1617 CB MET A 109 12.750 3.506 -2.527 1.00 0.00 C ATOM 1618 CG MET A 109 12.465 4.628 -3.510 1.00 0.00 C ATOM 1619 SD MET A 109 11.892 4.013 -5.109 1.00 0.00 S ATOM 1620 CE MET A 109 13.237 2.921 -5.564 1.00 0.00 C ATOM 0 H MET A 109 10.988 4.047 -0.850 1.00 0.00 H new ATOM 0 HA MET A 109 10.982 2.496 -3.194 1.00 0.00 H new ATOM 0 HB2 MET A 109 13.079 3.938 -1.582 1.00 0.00 H new ATOM 0 HB3 MET A 109 13.575 2.903 -2.906 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.712 5.294 -3.089 1.00 0.00 H new ATOM 0 HG3 MET A 109 13.369 5.220 -3.654 1.00 0.00 H new ATOM 0 HE1 MET A 109 13.196 2.719 -6.634 1.00 0.00 H new ATOM 0 HE2 MET A 109 14.188 3.394 -5.320 1.00 0.00 H new ATOM 0 HE3 MET A 109 13.147 1.984 -5.014 1.00 0.00 H new ATOM 1630 N LYS A 110 12.448 1.174 -0.563 1.00 0.00 N ATOM 1631 CA LYS A 110 12.982 -0.046 0.018 1.00 0.00 C ATOM 1632 C LYS A 110 11.898 -1.110 0.112 1.00 0.00 C ATOM 1633 O LYS A 110 12.072 -2.237 -0.335 1.00 0.00 O ATOM 1634 CB LYS A 110 13.542 0.243 1.414 1.00 0.00 C ATOM 1635 CG LYS A 110 12.531 0.876 2.360 1.00 0.00 C ATOM 1636 CD LYS A 110 13.151 1.290 3.677 1.00 0.00 C ATOM 1637 CE LYS A 110 14.047 0.202 4.242 1.00 0.00 C ATOM 1638 NZ LYS A 110 14.720 0.623 5.496 1.00 0.00 N ATOM 0 H LYS A 110 12.425 1.969 0.075 1.00 0.00 H new ATOM 0 HA LYS A 110 13.782 -0.415 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.902 -0.688 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.403 0.905 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.087 1.748 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.723 0.170 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 110 13.731 2.202 3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.363 1.521 4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 110 13.453 -0.692 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 110 14.800 -0.067 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 15.183 -0.199 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 15.433 1.348 5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 14.016 1.015 6.153 1.00 0.00 H new ATOM 1652 N THR A 111 10.774 -0.716 0.683 1.00 0.00 N ATOM 1653 CA THR A 111 9.635 -1.584 0.888 1.00 0.00 C ATOM 1654 C THR A 111 9.088 -2.184 -0.414 1.00 0.00 C ATOM 1655 O THR A 111 8.375 -3.187 -0.376 1.00 0.00 O ATOM 1656 CB THR A 111 8.548 -0.814 1.678 1.00 0.00 C ATOM 1657 OG1 THR A 111 8.245 -1.528 2.883 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.251 -0.596 0.883 1.00 0.00 C ATOM 0 H THR A 111 10.627 0.235 1.023 1.00 0.00 H new ATOM 0 HA THR A 111 9.965 -2.443 1.472 1.00 0.00 H new ATOM 0 HB THR A 111 8.957 0.173 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.559 -1.043 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.535 -0.051 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.468 -0.021 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.829 -1.561 0.604 1.00 0.00 H new ATOM 1666 N ILE A 112 9.468 -1.640 -1.574 1.00 0.00 N ATOM 1667 CA ILE A 112 8.994 -2.214 -2.818 1.00 0.00 C ATOM 1668 C ILE A 112 9.976 -3.283 -3.238 1.00 0.00 C ATOM 1669 O ILE A 112 9.587 -4.361 -3.691 1.00 0.00 O ATOM 1670 CB ILE A 112 8.793 -1.176 -3.944 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.347 -0.677 -3.975 1.00 0.00 C ATOM 1672 CG2 ILE A 112 9.170 -1.734 -5.316 1.00 0.00 C ATOM 1673 CD1 ILE A 112 6.939 0.098 -2.746 1.00 0.00 C ATOM 0 H ILE A 112 10.082 -0.831 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 112 8.004 -2.636 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 112 9.459 -0.342 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.210 -0.045 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.681 -1.532 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.012 -0.969 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.219 -2.031 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.548 -2.601 -5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.901 0.417 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.041 -0.536 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.579 0.974 -2.639 1.00 0.00 H new ATOM 1685 N ASP A 113 11.263 -2.990 -3.039 1.00 0.00 N ATOM 1686 CA ASP A 113 12.301 -3.972 -3.287 1.00 0.00 C ATOM 1687 C ASP A 113 12.123 -5.198 -2.399 1.00 0.00 C ATOM 1688 O ASP A 113 12.292 -6.317 -2.855 1.00 0.00 O ATOM 1689 CB ASP A 113 13.687 -3.373 -3.050 1.00 0.00 C ATOM 1690 CG ASP A 113 14.243 -2.679 -4.275 1.00 0.00 C ATOM 1691 OD1 ASP A 113 13.869 -1.518 -4.533 1.00 0.00 O ATOM 1692 OD2 ASP A 113 15.073 -3.291 -4.983 1.00 0.00 O ATOM 0 H ASP A 113 11.602 -2.086 -2.709 1.00 0.00 H new ATOM 0 HA ASP A 113 12.216 -4.276 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.634 -2.660 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.372 -4.164 -2.744 1.00 0.00 H new ATOM 1697 N VAL A 114 11.730 -5.001 -1.147 1.00 0.00 N ATOM 1698 CA VAL A 114 11.668 -6.105 -0.217 1.00 0.00 C ATOM 1699 C VAL A 114 10.376 -6.911 -0.438 1.00 0.00 C ATOM 1700 O VAL A 114 10.379 -8.152 -0.444 1.00 0.00 O ATOM 1701 CB VAL A 114 11.793 -5.599 1.241 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.885 -4.553 1.343 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.497 -5.028 1.753 1.00 0.00 C ATOM 0 H VAL A 114 11.454 -4.097 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 114 12.511 -6.772 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 114 12.049 -6.459 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.962 -4.206 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.836 -4.988 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.644 -3.711 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.631 -4.685 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.197 -4.188 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.725 -5.796 1.725 1.00 0.00 H new ATOM 1713 N ALA A 115 9.282 -6.202 -0.705 1.00 0.00 N ATOM 1714 CA ALA A 115 8.013 -6.851 -0.985 1.00 0.00 C ATOM 1715 C ALA A 115 8.126 -7.695 -2.249 1.00 0.00 C ATOM 1716 O ALA A 115 7.614 -8.825 -2.314 1.00 0.00 O ATOM 1717 CB ALA A 115 6.885 -5.842 -1.088 1.00 0.00 C ATOM 0 H ALA A 115 9.253 -5.183 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 115 7.772 -7.511 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.950 -6.362 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.795 -5.299 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.098 -5.139 -1.893 1.00 0.00 H new ATOM 1723 N MET A 116 8.805 -7.160 -3.264 1.00 0.00 N ATOM 1724 CA MET A 116 8.910 -7.883 -4.508 1.00 0.00 C ATOM 1725 C MET A 116 9.758 -9.152 -4.323 1.00 0.00 C ATOM 1726 O MET A 116 9.555 -10.143 -5.025 1.00 0.00 O ATOM 1727 CB MET A 116 9.390 -6.990 -5.683 1.00 0.00 C ATOM 1728 CG MET A 116 10.796 -6.398 -5.595 1.00 0.00 C ATOM 1729 SD MET A 116 12.110 -7.620 -5.806 1.00 0.00 S ATOM 1730 CE MET A 116 13.563 -6.576 -5.681 1.00 0.00 C ATOM 0 H MET A 116 9.274 -6.255 -3.243 1.00 0.00 H new ATOM 0 HA MET A 116 7.908 -8.202 -4.795 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.330 -7.579 -6.598 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.685 -6.166 -5.788 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.904 -5.625 -6.356 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.916 -5.911 -4.627 1.00 0.00 H new ATOM 0 HE1 MET A 116 14.312 -6.907 -6.401 1.00 0.00 H new ATOM 0 HE2 MET A 116 13.288 -5.543 -5.893 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.974 -6.643 -4.673 1.00 0.00 H new ATOM 1740 N CYS A 117 10.642 -9.154 -3.316 1.00 0.00 N ATOM 1741 CA CYS A 117 11.420 -10.318 -2.965 1.00 0.00 C ATOM 1742 C CYS A 117 10.511 -11.405 -2.431 1.00 0.00 C ATOM 1743 O CYS A 117 10.770 -12.597 -2.607 1.00 0.00 O ATOM 1744 CB CYS A 117 12.447 -9.927 -1.911 1.00 0.00 C ATOM 1745 SG CYS A 117 13.694 -8.734 -2.486 1.00 0.00 S ATOM 0 H CYS A 117 10.828 -8.340 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 117 11.932 -10.699 -3.849 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.926 -9.504 -1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.955 -10.827 -1.564 1.00 0.00 H new ATOM 1750 N PHE A 118 9.427 -10.992 -1.798 1.00 0.00 N ATOM 1751 CA PHE A 118 8.459 -11.950 -1.290 1.00 0.00 C ATOM 1752 C PHE A 118 7.701 -12.630 -2.431 1.00 0.00 C ATOM 1753 O PHE A 118 7.461 -13.834 -2.372 1.00 0.00 O ATOM 1754 CB PHE A 118 7.487 -11.297 -0.303 1.00 0.00 C ATOM 1755 CG PHE A 118 6.453 -12.239 0.251 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.796 -13.174 1.216 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.138 -12.190 -0.190 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.850 -14.039 1.730 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.189 -13.054 0.320 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.544 -13.979 1.281 1.00 0.00 C ATOM 0 H PHE A 118 9.196 -10.014 -1.625 1.00 0.00 H new ATOM 0 HA PHE A 118 9.015 -12.717 -0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.056 -10.871 0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.981 -10.470 -0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.815 -13.226 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.853 -11.468 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.130 -14.762 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.169 -13.006 -0.033 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.803 -14.655 1.681 1.00 0.00 H new ATOM 1770 N LYS A 119 7.319 -11.885 -3.475 1.00 0.00 N ATOM 1771 CA LYS A 119 6.640 -12.531 -4.610 1.00 0.00 C ATOM 1772 C LYS A 119 7.608 -13.454 -5.377 1.00 0.00 C ATOM 1773 O LYS A 119 7.169 -14.366 -6.080 1.00 0.00 O ATOM 1774 CB LYS A 119 5.917 -11.517 -5.534 1.00 0.00 C ATOM 1775 CG LYS A 119 4.960 -12.140 -6.539 1.00 0.00 C ATOM 1776 CD LYS A 119 5.632 -12.362 -7.888 1.00 0.00 C ATOM 1777 CE LYS A 119 6.402 -11.129 -8.337 1.00 0.00 C ATOM 1778 NZ LYS A 119 6.944 -11.274 -9.712 1.00 0.00 N ATOM 0 H LYS A 119 7.459 -10.878 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 119 5.849 -13.159 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.363 -10.813 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.667 -10.942 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.594 -13.091 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.092 -11.493 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.311 -13.212 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.878 -12.613 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.746 -10.259 -8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.222 -10.942 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.460 -10.410 -9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.591 -12.088 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.161 -11.426 -10.380 1.00 0.00 H new ATOM 1792 N LYS A 120 8.926 -13.247 -5.228 1.00 0.00 N ATOM 1793 CA LYS A 120 9.892 -14.225 -5.719 1.00 0.00 C ATOM 1794 C LYS A 120 9.738 -15.530 -4.942 1.00 0.00 C ATOM 1795 O LYS A 120 9.634 -16.611 -5.525 1.00 0.00 O ATOM 1796 CB LYS A 120 11.322 -13.694 -5.579 1.00 0.00 C ATOM 1797 CG LYS A 120 12.007 -13.442 -6.913 1.00 0.00 C ATOM 1798 CD LYS A 120 11.208 -12.479 -7.775 1.00 0.00 C ATOM 1799 CE LYS A 120 11.156 -11.087 -7.173 1.00 0.00 C ATOM 1800 NZ LYS A 120 12.504 -10.474 -7.047 1.00 0.00 N ATOM 0 H LYS A 120 9.335 -12.427 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 120 9.699 -14.408 -6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.302 -12.766 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.912 -14.409 -5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.004 -13.037 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.134 -14.386 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 120 11.652 -12.428 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.194 -12.859 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 120 10.526 -10.449 -7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 120 10.689 -11.137 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.407 -9.450 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.005 -10.899 -6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.045 -10.643 -7.919 1.00 0.00 H new ATOM 1814 N GLU A 121 9.709 -15.405 -3.620 1.00 0.00 N ATOM 1815 CA GLU A 121 9.483 -16.553 -2.735 1.00 0.00 C ATOM 1816 C GLU A 121 8.146 -17.248 -3.019 1.00 0.00 C ATOM 1817 O GLU A 121 8.110 -18.469 -3.173 1.00 0.00 O ATOM 1818 CB GLU A 121 9.535 -16.135 -1.263 1.00 0.00 C ATOM 1819 CG GLU A 121 10.903 -15.668 -0.799 1.00 0.00 C ATOM 1820 CD GLU A 121 12.006 -16.627 -1.183 1.00 0.00 C ATOM 1821 OE1 GLU A 121 12.310 -17.539 -0.389 1.00 0.00 O ATOM 1822 OE2 GLU A 121 12.582 -16.464 -2.276 1.00 0.00 O ATOM 0 H GLU A 121 9.839 -14.519 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 121 10.287 -17.261 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.814 -15.334 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.222 -16.977 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.113 -14.688 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.893 -15.546 0.284 1.00 0.00 H new ATOM 1829 N ILE A 122 7.049 -16.485 -3.070 1.00 0.00 N ATOM 1830 CA ILE A 122 5.738 -17.039 -3.359 1.00 0.00 C ATOM 1831 C ILE A 122 5.749 -17.841 -4.671 1.00 0.00 C ATOM 1832 O ILE A 122 5.090 -18.872 -4.777 1.00 0.00 O ATOM 1833 CB ILE A 122 4.682 -15.911 -3.393 1.00 0.00 C ATOM 1834 CG1 ILE A 122 3.353 -16.386 -2.806 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.486 -15.376 -4.795 1.00 0.00 C ATOM 1836 CD1 ILE A 122 2.563 -17.320 -3.699 1.00 0.00 C ATOM 0 H ILE A 122 7.052 -15.477 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 122 5.471 -17.734 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 122 5.057 -15.095 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.549 -16.890 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 122 2.739 -15.514 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.737 -14.585 -4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.429 -14.976 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.151 -16.182 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.637 -17.604 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 122 2.330 -16.816 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 122 3.153 -18.213 -3.904 1.00 0.00 H new ATOM 1848 N HIS A 123 6.517 -17.384 -5.661 1.00 0.00 N ATOM 1849 CA HIS A 123 6.633 -18.121 -6.914 1.00 0.00 C ATOM 1850 C HIS A 123 7.426 -19.421 -6.751 1.00 0.00 C ATOM 1851 O HIS A 123 7.134 -20.408 -7.422 1.00 0.00 O ATOM 1852 CB HIS A 123 7.259 -17.255 -8.009 1.00 0.00 C ATOM 1853 CG HIS A 123 6.248 -16.476 -8.789 1.00 0.00 C ATOM 1854 ND1 HIS A 123 6.289 -16.345 -10.159 1.00 0.00 N ATOM 1855 CD2 HIS A 123 5.152 -15.795 -8.383 1.00 0.00 C ATOM 1856 CE1 HIS A 123 5.262 -15.619 -10.562 1.00 0.00 C ATOM 1857 NE2 HIS A 123 4.553 -15.275 -9.502 1.00 0.00 N ATOM 0 H HIS A 123 7.059 -16.521 -5.619 1.00 0.00 H new ATOM 0 HA HIS A 123 5.619 -18.387 -7.213 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.970 -16.565 -7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 123 7.823 -17.892 -8.690 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.811 -15.682 -7.365 1.00 0.00 H new ATOM 0 HE1 HIS A 123 5.040 -15.352 -11.585 1.00 0.00 H new ATOM 0 HE2 HIS A 123 3.701 -14.715 -9.514 1.00 0.00 H new ATOM 1866 N LYS A 124 8.410 -19.432 -5.851 1.00 0.00 N ATOM 1867 CA LYS A 124 9.155 -20.641 -5.546 1.00 0.00 C ATOM 1868 C LYS A 124 8.259 -21.639 -4.820 1.00 0.00 C ATOM 1869 O LYS A 124 8.360 -22.849 -5.023 1.00 0.00 O ATOM 1870 CB LYS A 124 10.371 -20.283 -4.681 1.00 0.00 C ATOM 1871 CG LYS A 124 11.229 -21.473 -4.292 1.00 0.00 C ATOM 1872 CD LYS A 124 11.716 -22.216 -5.520 1.00 0.00 C ATOM 1873 CE LYS A 124 12.474 -23.480 -5.146 1.00 0.00 C ATOM 1874 NZ LYS A 124 12.742 -24.337 -6.330 1.00 0.00 N ATOM 0 H LYS A 124 8.706 -18.611 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 124 9.499 -21.100 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.988 -19.565 -5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.025 -19.787 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.083 -21.134 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.655 -22.148 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 124 10.865 -22.474 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.362 -21.564 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.418 -23.210 -4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.899 -24.044 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.260 -25.188 -6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 11.841 -24.616 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.313 -23.808 -7.020 1.00 0.00 H new ATOM 1888 N LEU A 125 7.374 -21.113 -3.984 1.00 0.00 N ATOM 1889 CA LEU A 125 6.364 -21.927 -3.312 1.00 0.00 C ATOM 1890 C LEU A 125 5.329 -22.476 -4.304 1.00 0.00 C ATOM 1891 O LEU A 125 4.857 -23.601 -4.147 1.00 0.00 O ATOM 1892 CB LEU A 125 5.649 -21.098 -2.240 1.00 0.00 C ATOM 1893 CG LEU A 125 6.560 -20.443 -1.197 1.00 0.00 C ATOM 1894 CD1 LEU A 125 5.744 -19.591 -0.236 1.00 0.00 C ATOM 1895 CD2 LEU A 125 7.353 -21.495 -0.436 1.00 0.00 C ATOM 0 H LEU A 125 7.333 -20.120 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 125 6.876 -22.771 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.072 -20.317 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.937 -21.741 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 125 7.265 -19.796 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.407 -19.134 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.225 -18.810 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.014 -20.218 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.993 -21.007 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.666 -22.171 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 125 7.969 -22.062 -1.134 1.00 0.00 H new