USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 939 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HE2:sc= -1.18 K(o=0.23,f=-5.3!) USER MOD Set 1.2: A 95 HIS : no HE2:sc= 0.143 K(o=0.23,f=-9.9!) USER MOD Set 1.3: A 99 LYS NZ :NH3+ 173:sc= 1.27 (180deg=0) USER MOD Set 2.1: A 7 ASN : amide:sc= -0.0252 K(o=-0.065,f=-1.4) USER MOD Set 2.2: A 11 ASN : amide:sc= 0.215 X(o=-0.065,f=-0.33) USER MOD Set 2.3: A 80 HIS : no HE2:sc= -0.256 K(o=-0.065,f=-9.4!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 MET CE :methyl 166:sc= -0.0987 (180deg=-0.402) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -77:sc= 1.28 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= 0.824 (180deg=-0.241!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -171:sc= -1.1 (180deg=-1.51) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -152:sc= 1.29 USER MOD Single : A 30 ASN : amide:sc= 0.91 K(o=0.91,f=-0.53) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.419 K(o=-0.42,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 165:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= 0.969 (180deg=0.38) USER MOD Single : A 45 ASN : amide:sc= 1.65 K(o=1.6,f=-10!) USER MOD Single : A 48 THR OG1 : rot 168:sc= 1.23 USER MOD Single : A 53 MET CE :methyl -148:sc= -0.189 (180deg=-1.21) USER MOD Single : A 56 SER OG : rot 64:sc= 0.0747 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0.612 (180deg=0.595) USER MOD Single : A 60 ASN : amide:sc= -0.0772 K(o=-0.077,f=-1.7) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0.522 K(o=0.52,f=-4.9!) USER MOD Single : A 72 ASN : amide:sc= 1.24 K(o=1.2,f=-0.11) USER MOD Single : A 74 MET CE :methyl 132:sc= -0.859 (180deg=-2.8) USER MOD Single : A 78 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.671) USER MOD Single : A 79 LYS NZ :NH3+ -163:sc=-0.000731 (180deg=-0.0974) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -175:sc= -0.381 (180deg=-0.419) USER MOD Single : A 88 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 116 THR OG1 : rot 91:sc= 0.208 USER MOD Single : A 119 LYS NZ :NH3+ -117:sc= 0.0974 (180deg=-0.213) USER MOD Single : A 123 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.32) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 12.251 -10.137 3.039 1.00 0.00 N ATOM 13 CA GLN A 2 10.865 -10.601 3.026 1.00 0.00 C ATOM 14 C GLN A 2 10.204 -10.351 4.385 1.00 0.00 C ATOM 15 O GLN A 2 9.064 -9.900 4.433 1.00 0.00 O ATOM 16 CB GLN A 2 10.822 -12.092 2.658 1.00 0.00 C ATOM 17 CG GLN A 2 9.406 -12.573 2.290 1.00 0.00 C ATOM 18 CD GLN A 2 9.135 -13.984 2.807 1.00 0.00 C ATOM 19 OE1 GLN A 2 8.980 -14.196 4.008 1.00 0.00 O ATOM 20 NE2 GLN A 2 9.092 -14.986 1.949 1.00 0.00 N ATOM 0 HA GLN A 2 10.307 -10.041 2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.493 -12.274 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.194 -12.680 3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.669 -11.886 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.285 -12.553 1.207 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.221 -14.810 0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.930 -15.936 2.282 1.00 0.00 H new ATOM 29 N GLU A 3 10.941 -10.585 5.473 1.00 0.00 N ATOM 30 CA GLU A 3 10.493 -10.353 6.840 1.00 0.00 C ATOM 31 C GLU A 3 9.981 -8.924 7.004 1.00 0.00 C ATOM 32 O GLU A 3 8.867 -8.707 7.477 1.00 0.00 O ATOM 33 CB GLU A 3 11.685 -10.610 7.762 1.00 0.00 C ATOM 34 CG GLU A 3 11.329 -10.523 9.250 1.00 0.00 C ATOM 35 CD GLU A 3 12.036 -9.352 9.931 1.00 0.00 C ATOM 36 OE1 GLU A 3 11.758 -8.190 9.576 1.00 0.00 O ATOM 37 OE2 GLU A 3 12.841 -9.608 10.857 1.00 0.00 O ATOM 0 H GLU A 3 11.892 -10.951 5.422 1.00 0.00 H new ATOM 0 HA GLU A 3 9.668 -11.021 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.093 -11.598 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.470 -9.887 7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.250 -10.411 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.606 -11.454 9.746 1.00 0.00 H new ATOM 44 N VAL A 4 10.767 -7.947 6.549 1.00 0.00 N ATOM 45 CA VAL A 4 10.396 -6.547 6.632 1.00 0.00 C ATOM 46 C VAL A 4 9.168 -6.283 5.748 1.00 0.00 C ATOM 47 O VAL A 4 8.356 -5.448 6.121 1.00 0.00 O ATOM 48 CB VAL A 4 11.589 -5.658 6.245 1.00 0.00 C ATOM 49 CG1 VAL A 4 11.261 -4.166 6.381 1.00 0.00 C ATOM 50 CG2 VAL A 4 12.865 -5.905 7.061 1.00 0.00 C ATOM 0 H VAL A 4 11.675 -8.111 6.115 1.00 0.00 H new ATOM 0 HA VAL A 4 10.127 -6.298 7.658 1.00 0.00 H new ATOM 0 HB VAL A 4 11.777 -5.936 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.132 -3.575 6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.425 -3.916 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.993 -3.945 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.652 -5.233 6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.664 -5.719 8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.187 -6.938 6.929 1.00 0.00 H new ATOM 60 N MET A 5 8.971 -6.984 4.619 1.00 0.00 N ATOM 61 CA MET A 5 7.749 -6.848 3.816 1.00 0.00 C ATOM 62 C MET A 5 6.541 -7.247 4.666 1.00 0.00 C ATOM 63 O MET A 5 5.544 -6.525 4.741 1.00 0.00 O ATOM 64 CB MET A 5 7.800 -7.715 2.540 1.00 0.00 C ATOM 65 CG MET A 5 7.144 -7.063 1.320 1.00 0.00 C ATOM 66 SD MET A 5 5.367 -6.725 1.432 1.00 0.00 S ATOM 67 CE MET A 5 5.467 -4.946 1.733 1.00 0.00 C ATOM 0 H MET A 5 9.645 -7.651 4.243 1.00 0.00 H new ATOM 0 HA MET A 5 7.663 -5.808 3.503 1.00 0.00 H new ATOM 0 HB2 MET A 5 8.841 -7.937 2.305 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.308 -8.667 2.739 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.657 -6.122 1.120 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.314 -7.708 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.485 -4.497 1.588 1.00 0.00 H new ATOM 0 HE2 MET A 5 5.800 -4.768 2.756 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.177 -4.499 1.038 1.00 0.00 H new ATOM 77 N LYS A 6 6.637 -8.402 5.326 1.00 0.00 N ATOM 78 CA LYS A 6 5.627 -8.917 6.241 1.00 0.00 C ATOM 79 C LYS A 6 5.349 -7.901 7.348 1.00 0.00 C ATOM 80 O LYS A 6 4.198 -7.564 7.612 1.00 0.00 O ATOM 81 CB LYS A 6 6.117 -10.268 6.808 1.00 0.00 C ATOM 82 CG LYS A 6 5.333 -11.459 6.254 1.00 0.00 C ATOM 83 CD LYS A 6 3.938 -11.535 6.876 1.00 0.00 C ATOM 84 CE LYS A 6 3.101 -12.600 6.171 1.00 0.00 C ATOM 85 NZ LYS A 6 1.765 -12.689 6.788 1.00 0.00 N ATOM 0 H LYS A 6 7.444 -9.020 5.234 1.00 0.00 H new ATOM 0 HA LYS A 6 4.686 -9.080 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.174 -10.394 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.030 -10.255 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.248 -11.370 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.876 -12.382 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.018 -11.769 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.445 -10.566 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.005 -12.356 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.603 -13.566 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.205 -13.417 6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.862 -12.943 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.284 -11.770 6.708 1.00 0.00 H new ATOM 99 N ASN A 7 6.399 -7.401 7.992 1.00 0.00 N ATOM 100 CA ASN A 7 6.290 -6.475 9.108 1.00 0.00 C ATOM 101 C ASN A 7 5.691 -5.134 8.685 1.00 0.00 C ATOM 102 O ASN A 7 4.834 -4.581 9.377 1.00 0.00 O ATOM 103 CB ASN A 7 7.680 -6.249 9.709 1.00 0.00 C ATOM 104 CG ASN A 7 7.555 -5.425 10.983 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.587 -5.562 11.724 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.494 -4.541 11.252 1.00 0.00 N ATOM 0 H ASN A 7 7.362 -7.633 7.748 1.00 0.00 H new ATOM 0 HA ASN A 7 5.620 -6.915 9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.153 -7.206 9.927 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.319 -5.734 8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.422 -3.959 12.086 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.293 -4.439 10.626 1.00 0.00 H new ATOM 113 N LEU A 8 6.137 -4.602 7.546 1.00 0.00 N ATOM 114 CA LEU A 8 5.637 -3.370 6.951 1.00 0.00 C ATOM 115 C LEU A 8 4.154 -3.529 6.674 1.00 0.00 C ATOM 116 O LEU A 8 3.373 -2.687 7.106 1.00 0.00 O ATOM 117 CB LEU A 8 6.379 -3.046 5.640 1.00 0.00 C ATOM 118 CG LEU A 8 7.707 -2.299 5.842 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.527 -2.350 4.552 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.456 -0.826 6.186 1.00 0.00 C ATOM 0 H LEU A 8 6.881 -5.034 6.997 1.00 0.00 H new ATOM 0 HA LEU A 8 5.807 -2.547 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.574 -3.976 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.728 -2.444 5.005 1.00 0.00 H new ATOM 0 HG LEU A 8 8.243 -2.780 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.468 -1.820 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.732 -3.388 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.966 -1.878 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.410 -0.317 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.906 -0.351 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.873 -0.761 7.105 1.00 0.00 H new ATOM 132 N SER A 9 3.752 -4.588 5.966 1.00 0.00 N ATOM 133 CA SER A 9 2.358 -4.791 5.585 1.00 0.00 C ATOM 134 C SER A 9 1.455 -5.048 6.800 1.00 0.00 C ATOM 135 O SER A 9 0.250 -4.786 6.729 1.00 0.00 O ATOM 136 CB SER A 9 2.243 -5.896 4.521 1.00 0.00 C ATOM 137 OG SER A 9 2.892 -7.100 4.883 1.00 0.00 O ATOM 0 H SER A 9 4.382 -5.323 5.644 1.00 0.00 H new ATOM 0 HA SER A 9 1.996 -3.865 5.138 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.189 -6.103 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.666 -5.532 3.584 1.00 0.00 H new ATOM 0 HG SER A 9 3.859 -7.000 4.761 1.00 0.00 H new ATOM 143 N LEU A 10 2.011 -5.515 7.925 1.00 0.00 N ATOM 144 CA LEU A 10 1.291 -5.748 9.163 1.00 0.00 C ATOM 145 C LEU A 10 0.979 -4.405 9.785 1.00 0.00 C ATOM 146 O LEU A 10 -0.181 -4.078 10.050 1.00 0.00 O ATOM 147 CB LEU A 10 2.141 -6.614 10.116 1.00 0.00 C ATOM 148 CG LEU A 10 1.531 -6.738 11.524 1.00 0.00 C ATOM 149 CD1 LEU A 10 0.177 -7.458 11.489 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.496 -7.457 12.469 1.00 0.00 C ATOM 0 H LEU A 10 3.003 -5.745 7.991 1.00 0.00 H new ATOM 0 HA LEU A 10 0.363 -6.286 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.256 -7.610 9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.139 -6.184 10.195 1.00 0.00 H new ATOM 0 HG LEU A 10 1.362 -5.729 11.900 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.224 -7.528 12.500 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.516 -6.899 10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.308 -8.460 11.081 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.046 -7.534 13.459 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.704 -8.456 12.086 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.427 -6.893 12.537 1.00 0.00 H new ATOM 162 N ASN A 11 2.041 -3.644 10.022 1.00 0.00 N ATOM 163 CA ASN A 11 1.985 -2.374 10.717 1.00 0.00 C ATOM 164 C ASN A 11 1.171 -1.358 9.928 1.00 0.00 C ATOM 165 O ASN A 11 0.383 -0.606 10.487 1.00 0.00 O ATOM 166 CB ASN A 11 3.400 -1.844 10.905 1.00 0.00 C ATOM 167 CG ASN A 11 3.986 -2.295 12.226 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.764 -1.654 13.252 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.709 -3.399 12.235 1.00 0.00 N ATOM 0 H ASN A 11 2.983 -3.903 9.728 1.00 0.00 H new ATOM 0 HA ASN A 11 1.506 -2.528 11.684 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.032 -2.191 10.087 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.391 -0.755 10.862 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.102 -3.744 13.111 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.874 -3.907 11.366 1.00 0.00 H new ATOM 176 N PHE A 12 1.339 -1.354 8.608 1.00 0.00 N ATOM 177 CA PHE A 12 0.567 -0.534 7.695 1.00 0.00 C ATOM 178 C PHE A 12 -0.932 -0.734 7.937 1.00 0.00 C ATOM 179 O PHE A 12 -1.644 0.246 8.133 1.00 0.00 O ATOM 180 CB PHE A 12 1.025 -0.857 6.271 1.00 0.00 C ATOM 181 CG PHE A 12 0.040 -0.623 5.152 1.00 0.00 C ATOM 182 CD1 PHE A 12 -0.834 -1.663 4.787 1.00 0.00 C ATOM 183 CD2 PHE A 12 0.066 0.571 4.408 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.667 -1.513 3.669 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.807 0.739 3.320 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.664 -0.309 2.944 1.00 0.00 C ATOM 0 H PHE A 12 2.033 -1.936 8.139 1.00 0.00 H new ATOM 0 HA PHE A 12 0.739 0.529 7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.917 -0.266 6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.323 -1.905 6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.863 -2.574 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.757 1.358 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.312 -2.324 3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.819 1.671 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.322 -0.189 2.096 1.00 0.00 H new ATOM 196 N GLY A 13 -1.410 -1.979 8.030 1.00 0.00 N ATOM 197 CA GLY A 13 -2.822 -2.289 8.257 1.00 0.00 C ATOM 198 C GLY A 13 -3.244 -2.289 9.734 1.00 0.00 C ATOM 199 O GLY A 13 -4.268 -2.889 10.061 1.00 0.00 O ATOM 0 H GLY A 13 -0.820 -2.807 7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.432 -1.564 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.039 -3.268 7.830 1.00 0.00 H new ATOM 203 N LYS A 14 -2.499 -1.643 10.639 1.00 0.00 N ATOM 204 CA LYS A 14 -2.913 -1.480 12.035 1.00 0.00 C ATOM 205 C LYS A 14 -4.284 -0.818 12.103 1.00 0.00 C ATOM 206 O LYS A 14 -5.246 -1.478 12.494 1.00 0.00 O ATOM 207 CB LYS A 14 -1.893 -0.641 12.809 1.00 0.00 C ATOM 208 CG LYS A 14 -0.616 -1.386 13.181 1.00 0.00 C ATOM 209 CD LYS A 14 -0.727 -2.026 14.557 1.00 0.00 C ATOM 210 CE LYS A 14 0.678 -2.384 15.022 1.00 0.00 C ATOM 211 NZ LYS A 14 0.731 -2.661 16.470 1.00 0.00 N ATOM 0 H LYS A 14 -1.596 -1.221 10.424 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.969 -2.468 12.492 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.629 0.231 12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.362 -0.271 13.721 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.411 -2.155 12.436 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.227 -0.695 13.166 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.198 -1.339 15.260 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.353 -2.917 14.514 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.029 -3.258 14.473 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.357 -1.565 14.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.706 -2.900 16.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.421 -1.819 16.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.103 -3.459 16.694 1.00 0.00 H new ATOM 225 N ALA A 15 -4.387 0.438 11.664 1.00 0.00 N ATOM 226 CA ALA A 15 -5.607 1.239 11.688 1.00 0.00 C ATOM 227 C ALA A 15 -6.635 0.786 10.636 1.00 0.00 C ATOM 228 O ALA A 15 -7.473 1.589 10.229 1.00 0.00 O ATOM 229 CB ALA A 15 -5.236 2.722 11.516 1.00 0.00 C ATOM 0 H ALA A 15 -3.593 0.941 11.268 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.093 1.095 12.653 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.142 3.328 11.533 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.579 3.029 12.329 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.724 2.861 10.564 1.00 0.00 H new ATOM 235 N LEU A 16 -6.580 -0.462 10.141 1.00 0.00 N ATOM 236 CA LEU A 16 -7.479 -0.951 9.099 1.00 0.00 C ATOM 237 C LEU A 16 -8.927 -0.745 9.509 1.00 0.00 C ATOM 238 O LEU A 16 -9.709 -0.225 8.719 1.00 0.00 O ATOM 239 CB LEU A 16 -7.223 -2.437 8.783 1.00 0.00 C ATOM 240 CG LEU A 16 -8.143 -2.948 7.655 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.643 -2.465 6.294 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.257 -4.471 7.634 1.00 0.00 C ATOM 0 H LEU A 16 -5.905 -1.158 10.458 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.280 -0.377 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.181 -2.573 8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.384 -3.033 9.681 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.133 -2.540 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.305 -2.835 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.634 -1.375 6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.634 -2.839 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.916 -4.775 6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.270 -4.908 7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.667 -4.818 8.582 1.00 0.00 H new ATOM 254 N ASP A 17 -9.299 -1.187 10.707 1.00 0.00 N ATOM 255 CA ASP A 17 -10.700 -1.181 11.109 1.00 0.00 C ATOM 256 C ASP A 17 -11.192 0.225 11.390 1.00 0.00 C ATOM 257 O ASP A 17 -12.325 0.559 11.062 1.00 0.00 O ATOM 258 CB ASP A 17 -10.893 -2.014 12.364 1.00 0.00 C ATOM 259 CG ASP A 17 -12.355 -2.438 12.504 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.933 -2.969 11.520 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.886 -2.306 13.627 1.00 0.00 O ATOM 0 H ASP A 17 -8.656 -1.551 11.410 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.272 -1.602 10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.254 -2.896 12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.589 -1.440 13.239 1.00 0.00 H new ATOM 266 N GLU A 18 -10.309 1.062 11.930 1.00 0.00 N ATOM 267 CA GLU A 18 -10.568 2.494 12.062 1.00 0.00 C ATOM 268 C GLU A 18 -10.901 3.051 10.678 1.00 0.00 C ATOM 269 O GLU A 18 -12.004 3.541 10.473 1.00 0.00 O ATOM 270 CB GLU A 18 -9.395 3.240 12.705 1.00 0.00 C ATOM 271 CG GLU A 18 -9.273 2.904 14.197 1.00 0.00 C ATOM 272 CD GLU A 18 -9.800 4.004 15.127 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.051 4.978 15.369 1.00 0.00 O ATOM 274 OE2 GLU A 18 -10.949 3.884 15.628 1.00 0.00 O ATOM 0 H GLU A 18 -9.399 0.769 12.286 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.413 2.644 12.733 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.469 2.977 12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.533 4.314 12.582 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.817 1.981 14.397 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.226 2.714 14.432 1.00 0.00 H new ATOM 281 N CYS A 19 -9.995 2.907 9.706 1.00 0.00 N ATOM 282 CA CYS A 19 -10.209 3.341 8.329 1.00 0.00 C ATOM 283 C CYS A 19 -11.465 2.731 7.693 1.00 0.00 C ATOM 284 O CYS A 19 -12.132 3.406 6.904 1.00 0.00 O ATOM 285 CB CYS A 19 -8.967 3.028 7.489 1.00 0.00 C ATOM 286 SG CYS A 19 -7.680 4.279 7.627 1.00 0.00 S ATOM 0 H CYS A 19 -9.082 2.480 9.859 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.375 4.418 8.352 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.562 2.064 7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.259 2.931 6.443 1.00 0.00 H new ATOM 291 N LYS A 20 -11.820 1.487 8.040 1.00 0.00 N ATOM 292 CA LYS A 20 -13.034 0.849 7.595 1.00 0.00 C ATOM 293 C LYS A 20 -14.220 1.659 8.086 1.00 0.00 C ATOM 294 O LYS A 20 -14.999 2.125 7.262 1.00 0.00 O ATOM 295 CB LYS A 20 -13.107 -0.594 8.103 1.00 0.00 C ATOM 296 CG LYS A 20 -12.356 -1.642 7.294 1.00 0.00 C ATOM 297 CD LYS A 20 -12.270 -3.037 7.942 1.00 0.00 C ATOM 298 CE LYS A 20 -13.580 -3.811 8.151 1.00 0.00 C ATOM 299 NZ LYS A 20 -14.472 -3.282 9.207 1.00 0.00 N ATOM 0 H LYS A 20 -11.252 0.898 8.649 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.049 0.811 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.726 -0.615 9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.156 -0.886 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.838 -1.740 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.344 -1.281 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.612 -3.652 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.788 -2.926 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.128 -3.823 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.336 -4.846 8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.030 -4.061 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.900 -2.840 9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.113 -2.574 8.797 1.00 0.00 H new ATOM 313 N LYS A 21 -14.388 1.827 9.397 1.00 0.00 N ATOM 314 CA LYS A 21 -15.578 2.504 9.903 1.00 0.00 C ATOM 315 C LYS A 21 -15.564 3.961 9.456 1.00 0.00 C ATOM 316 O LYS A 21 -16.594 4.470 9.024 1.00 0.00 O ATOM 317 CB LYS A 21 -15.698 2.327 11.419 1.00 0.00 C ATOM 318 CG LYS A 21 -15.976 0.838 11.724 1.00 0.00 C ATOM 319 CD LYS A 21 -15.055 0.282 12.809 1.00 0.00 C ATOM 320 CE LYS A 21 -15.584 0.576 14.205 1.00 0.00 C ATOM 321 NZ LYS A 21 -16.663 -0.353 14.590 1.00 0.00 N ATOM 0 H LYS A 21 -13.732 1.512 10.112 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.475 2.051 9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.780 2.648 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.503 2.949 11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.013 0.722 12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.852 0.254 10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.950 -0.795 12.680 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.061 0.715 12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.769 0.504 14.925 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.955 1.600 14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.997 -0.120 15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.452 -0.267 13.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.302 -1.328 14.577 1.00 0.00 H new ATOM 335 N GLU A 22 -14.393 4.598 9.466 1.00 0.00 N ATOM 336 CA GLU A 22 -14.206 5.994 9.113 1.00 0.00 C ATOM 337 C GLU A 22 -14.780 6.329 7.745 1.00 0.00 C ATOM 338 O GLU A 22 -15.414 7.375 7.606 1.00 0.00 O ATOM 339 CB GLU A 22 -12.719 6.351 9.124 1.00 0.00 C ATOM 340 CG GLU A 22 -12.182 6.569 10.543 1.00 0.00 C ATOM 341 CD GLU A 22 -12.235 8.028 11.003 1.00 0.00 C ATOM 342 OE1 GLU A 22 -13.177 8.768 10.625 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.287 8.421 11.727 1.00 0.00 O ATOM 0 H GLU A 22 -13.523 4.135 9.730 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.743 6.578 9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.153 5.554 8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.560 7.255 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.757 5.957 11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.150 6.220 10.589 1.00 0.00 H new ATOM 350 N MET A 23 -14.542 5.476 6.743 1.00 0.00 N ATOM 351 CA MET A 23 -14.886 5.729 5.349 1.00 0.00 C ATOM 352 C MET A 23 -15.985 4.793 4.847 1.00 0.00 C ATOM 353 O MET A 23 -16.277 4.777 3.653 1.00 0.00 O ATOM 354 CB MET A 23 -13.625 5.627 4.487 1.00 0.00 C ATOM 355 CG MET A 23 -12.493 6.538 4.982 1.00 0.00 C ATOM 356 SD MET A 23 -11.312 7.106 3.735 1.00 0.00 S ATOM 357 CE MET A 23 -11.030 5.560 2.868 1.00 0.00 C ATOM 0 H MET A 23 -14.094 4.571 6.887 1.00 0.00 H new ATOM 0 HA MET A 23 -15.289 6.739 5.272 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.277 4.594 4.480 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.872 5.887 3.458 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.940 7.414 5.452 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.941 6.007 5.758 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.206 5.682 2.165 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.780 4.780 3.587 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.932 5.278 2.325 1.00 0.00 H new ATOM 367 N THR A 24 -16.589 4.011 5.746 1.00 0.00 N ATOM 368 CA THR A 24 -17.445 2.871 5.454 1.00 0.00 C ATOM 369 C THR A 24 -16.825 1.946 4.403 1.00 0.00 C ATOM 370 O THR A 24 -17.253 1.914 3.246 1.00 0.00 O ATOM 371 CB THR A 24 -18.856 3.322 5.054 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.306 4.351 5.911 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.811 2.120 5.117 1.00 0.00 C ATOM 0 H THR A 24 -16.485 4.169 6.748 1.00 0.00 H new ATOM 0 HA THR A 24 -17.535 2.289 6.371 1.00 0.00 H new ATOM 0 HB THR A 24 -18.833 3.712 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.206 4.630 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.814 2.437 4.833 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.468 1.346 4.431 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.829 1.723 6.132 1.00 0.00 H new ATOM 381 N LEU A 25 -15.822 1.163 4.798 1.00 0.00 N ATOM 382 CA LEU A 25 -15.268 0.084 3.995 1.00 0.00 C ATOM 383 C LEU A 25 -15.642 -1.210 4.715 1.00 0.00 C ATOM 384 O LEU A 25 -16.061 -1.197 5.880 1.00 0.00 O ATOM 385 CB LEU A 25 -13.751 0.246 3.762 1.00 0.00 C ATOM 386 CG LEU A 25 -13.304 1.697 3.485 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.793 1.735 3.336 1.00 0.00 C ATOM 388 CD2 LEU A 25 -13.950 2.301 2.232 1.00 0.00 C ATOM 0 H LEU A 25 -15.365 1.267 5.704 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.681 0.085 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.219 -0.125 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.455 -0.380 2.920 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.632 2.298 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.472 2.758 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.328 1.379 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.493 1.096 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.593 3.322 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.683 1.703 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.034 2.308 2.349 1.00 0.00 H new ATOM 400 N THR A 26 -15.521 -2.315 4.003 1.00 0.00 N ATOM 401 CA THR A 26 -16.228 -3.547 4.294 1.00 0.00 C ATOM 402 C THR A 26 -15.250 -4.517 4.932 1.00 0.00 C ATOM 403 O THR A 26 -14.040 -4.259 4.989 1.00 0.00 O ATOM 404 CB THR A 26 -16.826 -4.033 2.960 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.750 -4.367 2.102 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.699 -2.935 2.323 1.00 0.00 C ATOM 0 H THR A 26 -14.913 -2.382 3.186 1.00 0.00 H new ATOM 0 HA THR A 26 -17.046 -3.432 5.005 1.00 0.00 H new ATOM 0 HB THR A 26 -17.463 -4.901 3.128 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.025 -4.244 1.169 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.112 -3.299 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.513 -2.678 3.001 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.091 -2.050 2.135 1.00 0.00 H new ATOM 414 N ASP A 27 -15.748 -5.660 5.398 1.00 0.00 N ATOM 415 CA ASP A 27 -14.854 -6.705 5.845 1.00 0.00 C ATOM 416 C ASP A 27 -14.148 -7.332 4.667 1.00 0.00 C ATOM 417 O ASP A 27 -12.998 -7.705 4.875 1.00 0.00 O ATOM 418 CB ASP A 27 -15.573 -7.721 6.721 1.00 0.00 C ATOM 419 CG ASP A 27 -15.873 -9.072 6.071 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.789 -9.140 5.226 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.280 -10.094 6.485 1.00 0.00 O ATOM 0 H ASP A 27 -16.742 -5.876 5.472 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.086 -6.261 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.970 -7.895 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.514 -7.283 7.054 1.00 0.00 H new ATOM 426 N ALA A 28 -14.754 -7.352 3.467 1.00 0.00 N ATOM 427 CA ALA A 28 -14.248 -8.049 2.286 1.00 0.00 C ATOM 428 C ALA A 28 -12.817 -7.653 1.914 1.00 0.00 C ATOM 429 O ALA A 28 -12.121 -8.399 1.235 1.00 0.00 O ATOM 430 CB ALA A 28 -15.155 -7.773 1.082 1.00 0.00 C ATOM 0 H ALA A 28 -15.635 -6.867 3.294 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.244 -9.109 2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.769 -8.297 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.164 -8.124 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.178 -6.702 0.882 1.00 0.00 H new ATOM 436 N ILE A 29 -12.360 -6.489 2.362 1.00 0.00 N ATOM 437 CA ILE A 29 -11.001 -6.034 2.152 1.00 0.00 C ATOM 438 C ILE A 29 -9.982 -6.913 2.876 1.00 0.00 C ATOM 439 O ILE A 29 -8.829 -6.922 2.467 1.00 0.00 O ATOM 440 CB ILE A 29 -10.860 -4.542 2.509 1.00 0.00 C ATOM 441 CG1 ILE A 29 -10.849 -4.290 4.027 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.929 -3.703 1.774 1.00 0.00 C ATOM 443 CD1 ILE A 29 -10.921 -2.804 4.378 1.00 0.00 C ATOM 0 H ILE A 29 -12.935 -5.830 2.887 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.776 -6.133 1.090 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.882 -4.212 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.692 -4.808 4.483 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.942 -4.717 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.813 -2.652 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.807 -3.821 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.923 -4.043 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.910 -2.685 5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.064 -2.286 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.841 -2.379 3.976 1.00 0.00 H new ATOM 455 N ASN A 30 -10.364 -7.686 3.904 1.00 0.00 N ATOM 456 CA ASN A 30 -9.489 -8.712 4.436 1.00 0.00 C ATOM 457 C ASN A 30 -9.168 -9.735 3.363 1.00 0.00 C ATOM 458 O ASN A 30 -8.076 -10.281 3.365 1.00 0.00 O ATOM 459 CB ASN A 30 -10.058 -9.413 5.666 1.00 0.00 C ATOM 460 CG ASN A 30 -10.944 -10.577 5.300 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.527 -11.727 5.150 1.00 0.00 O ATOM 462 ND2 ASN A 30 -12.177 -10.260 5.023 1.00 0.00 N ATOM 0 H ASN A 30 -11.267 -7.612 4.372 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.579 -8.205 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.239 -9.765 6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.628 -8.697 6.259 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.820 -10.971 4.674 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.499 -9.301 5.155 1.00 0.00 H new ATOM 469 N GLU A 31 -10.120 -10.017 2.477 1.00 0.00 N ATOM 470 CA GLU A 31 -9.944 -11.069 1.496 1.00 0.00 C ATOM 471 C GLU A 31 -8.939 -10.540 0.463 1.00 0.00 C ATOM 472 O GLU A 31 -8.098 -11.303 0.007 1.00 0.00 O ATOM 473 CB GLU A 31 -11.303 -11.521 0.909 1.00 0.00 C ATOM 474 CG GLU A 31 -11.538 -11.330 -0.600 1.00 0.00 C ATOM 475 CD GLU A 31 -12.983 -11.659 -1.020 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.335 -12.868 -1.039 1.00 0.00 O ATOM 477 OE2 GLU A 31 -13.796 -10.757 -1.329 1.00 0.00 O ATOM 0 H GLU A 31 -11.015 -9.531 2.423 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.540 -11.981 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.429 -12.580 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.090 -10.986 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.310 -10.299 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.848 -11.966 -1.155 1.00 0.00 H new ATOM 484 N ASP A 32 -8.952 -9.241 0.146 1.00 0.00 N ATOM 485 CA ASP A 32 -7.890 -8.614 -0.642 1.00 0.00 C ATOM 486 C ASP A 32 -6.575 -8.757 0.102 1.00 0.00 C ATOM 487 O ASP A 32 -5.689 -9.457 -0.361 1.00 0.00 O ATOM 488 CB ASP A 32 -8.238 -7.155 -0.938 1.00 0.00 C ATOM 489 CG ASP A 32 -7.140 -6.321 -1.618 1.00 0.00 C ATOM 490 OD1 ASP A 32 -5.948 -6.370 -1.252 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.524 -5.500 -2.480 1.00 0.00 O ATOM 0 H ASP A 32 -9.694 -8.600 0.427 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.790 -9.112 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.125 -7.136 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.506 -6.669 0.000 1.00 0.00 H new ATOM 496 N PHE A 33 -6.458 -8.158 1.281 1.00 0.00 N ATOM 497 CA PHE A 33 -5.192 -8.017 1.981 1.00 0.00 C ATOM 498 C PHE A 33 -4.561 -9.344 2.388 1.00 0.00 C ATOM 499 O PHE A 33 -3.332 -9.446 2.394 1.00 0.00 O ATOM 500 CB PHE A 33 -5.443 -7.066 3.158 1.00 0.00 C ATOM 501 CG PHE A 33 -5.803 -5.647 2.731 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.257 -5.075 1.562 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.765 -4.924 3.459 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.709 -3.834 1.092 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.218 -3.680 2.981 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.701 -3.142 1.795 1.00 0.00 C ATOM 0 H PHE A 33 -7.249 -7.753 1.781 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.441 -7.597 1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.249 -7.467 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.551 -7.033 3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.482 -5.600 1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.156 -5.323 4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.292 -3.413 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.970 -3.136 3.533 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.067 -2.196 1.425 1.00 0.00 H new ATOM 516 N TYR A 34 -5.373 -10.364 2.647 1.00 0.00 N ATOM 517 CA TYR A 34 -4.965 -11.742 2.804 1.00 0.00 C ATOM 518 C TYR A 34 -4.440 -12.298 1.479 1.00 0.00 C ATOM 519 O TYR A 34 -3.288 -12.735 1.412 1.00 0.00 O ATOM 520 CB TYR A 34 -6.169 -12.534 3.323 1.00 0.00 C ATOM 521 CG TYR A 34 -5.893 -13.973 3.659 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.002 -14.272 4.702 1.00 0.00 C ATOM 523 CD2 TYR A 34 -6.569 -14.999 2.979 1.00 0.00 C ATOM 524 CE1 TYR A 34 -4.779 -15.607 5.071 1.00 0.00 C ATOM 525 CE2 TYR A 34 -6.362 -16.338 3.351 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.460 -16.643 4.396 1.00 0.00 C ATOM 527 OH TYR A 34 -5.284 -17.934 4.773 1.00 0.00 O ATOM 0 H TYR A 34 -6.379 -10.239 2.757 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.148 -11.824 3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.554 -12.037 4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.958 -12.498 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.489 -13.475 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.246 -14.760 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.089 -15.841 5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.889 -17.131 2.841 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.828 -18.518 4.204 1.00 0.00 H new ATOM 537 N ASN A 35 -5.274 -12.288 0.431 1.00 0.00 N ATOM 538 CA ASN A 35 -4.975 -12.863 -0.879 1.00 0.00 C ATOM 539 C ASN A 35 -4.111 -11.929 -1.743 1.00 0.00 C ATOM 540 O ASN A 35 -3.915 -12.187 -2.932 1.00 0.00 O ATOM 541 CB ASN A 35 -6.259 -13.193 -1.652 1.00 0.00 C ATOM 542 CG ASN A 35 -7.237 -14.146 -0.982 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.880 -15.255 -0.592 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.508 -13.765 -0.950 1.00 0.00 N ATOM 0 H ASN A 35 -6.202 -11.866 0.477 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.417 -13.778 -0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.782 -12.259 -1.857 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.976 -13.618 -2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.222 -14.400 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.771 -12.837 -1.282 1.00 0.00 H new ATOM 551 N PHE A 36 -3.567 -10.843 -1.200 1.00 0.00 N ATOM 552 CA PHE A 36 -2.711 -9.927 -1.942 1.00 0.00 C ATOM 553 C PHE A 36 -1.516 -10.722 -2.489 1.00 0.00 C ATOM 554 O PHE A 36 -1.121 -10.538 -3.637 1.00 0.00 O ATOM 555 CB PHE A 36 -2.341 -8.747 -1.029 1.00 0.00 C ATOM 556 CG PHE A 36 -1.620 -7.588 -1.697 1.00 0.00 C ATOM 557 CD1 PHE A 36 -0.303 -7.740 -2.168 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.246 -6.329 -1.802 1.00 0.00 C ATOM 559 CE1 PHE A 36 0.393 -6.643 -2.694 1.00 0.00 C ATOM 560 CE2 PHE A 36 -1.540 -5.222 -2.310 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.207 -5.377 -2.737 1.00 0.00 C ATOM 0 H PHE A 36 -3.710 -10.574 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.210 -9.489 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.255 -8.366 -0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.713 -9.122 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.175 -8.708 -2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.274 -6.213 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.398 -6.774 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.019 -4.256 -2.372 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.350 -4.524 -3.096 1.00 0.00 H new ATOM 571 N TRP A 37 -1.061 -11.710 -1.716 1.00 0.00 N ATOM 572 CA TRP A 37 0.041 -12.619 -1.998 1.00 0.00 C ATOM 573 C TRP A 37 -0.449 -14.002 -2.466 1.00 0.00 C ATOM 574 O TRP A 37 0.280 -14.991 -2.321 1.00 0.00 O ATOM 575 CB TRP A 37 0.886 -12.702 -0.715 1.00 0.00 C ATOM 576 CG TRP A 37 1.193 -11.363 -0.113 1.00 0.00 C ATOM 577 CD1 TRP A 37 0.664 -10.858 1.024 1.00 0.00 C ATOM 578 CD2 TRP A 37 1.959 -10.280 -0.707 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.064 -9.546 1.178 1.00 0.00 N ATOM 580 CE2 TRP A 37 1.863 -9.133 0.133 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.678 -10.144 -1.907 1.00 0.00 C ATOM 582 CZ2 TRP A 37 2.455 -7.906 -0.209 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.263 -8.921 -2.260 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.135 -7.794 -1.434 1.00 0.00 C ATOM 0 H TRP A 37 -1.488 -11.906 -0.811 1.00 0.00 H new ATOM 0 HA TRP A 37 0.643 -12.244 -2.826 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.358 -13.309 0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.822 -13.214 -0.938 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.026 -11.399 1.707 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.801 -8.955 1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.781 -10.994 -2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.389 -7.061 0.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.821 -8.844 -3.182 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.556 -6.847 -1.737 1.00 0.00 H new ATOM 595 N LYS A 38 -1.698 -14.128 -2.949 1.00 0.00 N ATOM 596 CA LYS A 38 -2.190 -15.386 -3.495 1.00 0.00 C ATOM 597 C LYS A 38 -1.505 -15.671 -4.823 1.00 0.00 C ATOM 598 O LYS A 38 -0.792 -14.849 -5.399 1.00 0.00 O ATOM 599 CB LYS A 38 -3.719 -15.372 -3.707 1.00 0.00 C ATOM 600 CG LYS A 38 -4.460 -16.441 -2.901 1.00 0.00 C ATOM 601 CD LYS A 38 -5.791 -16.834 -3.556 1.00 0.00 C ATOM 602 CE LYS A 38 -6.524 -17.883 -2.711 1.00 0.00 C ATOM 603 NZ LYS A 38 -7.779 -18.325 -3.357 1.00 0.00 N ATOM 0 H LYS A 38 -2.378 -13.368 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.959 -16.167 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.106 -14.390 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.932 -15.515 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.829 -17.324 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.647 -16.071 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.419 -15.951 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.607 -17.229 -4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.873 -18.743 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.747 -17.468 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.247 -19.034 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.410 -17.508 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.563 -18.744 -4.284 1.00 0.00 H new ATOM 617 N GLU A 39 -1.837 -16.834 -5.355 1.00 0.00 N ATOM 618 CA GLU A 39 -1.276 -17.464 -6.529 1.00 0.00 C ATOM 619 C GLU A 39 -1.740 -16.906 -7.882 1.00 0.00 C ATOM 620 O GLU A 39 -1.772 -17.643 -8.867 1.00 0.00 O ATOM 621 CB GLU A 39 -1.493 -18.982 -6.362 1.00 0.00 C ATOM 622 CG GLU A 39 -2.987 -19.376 -6.403 1.00 0.00 C ATOM 623 CD GLU A 39 -3.318 -20.710 -5.720 1.00 0.00 C ATOM 624 OE1 GLU A 39 -2.614 -21.713 -5.959 1.00 0.00 O ATOM 625 OE2 GLU A 39 -4.317 -20.743 -4.957 1.00 0.00 O ATOM 0 H GLU A 39 -2.570 -17.408 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.213 -17.228 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.960 -19.511 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.062 -19.305 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.570 -18.586 -5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.307 -19.427 -7.444 1.00 0.00 H new ATOM 632 N GLY A 40 -2.033 -15.607 -7.964 1.00 0.00 N ATOM 633 CA GLY A 40 -2.416 -14.923 -9.202 1.00 0.00 C ATOM 634 C GLY A 40 -3.674 -14.069 -9.043 1.00 0.00 C ATOM 635 O GLY A 40 -4.134 -13.472 -10.019 1.00 0.00 O ATOM 0 H GLY A 40 -2.010 -14.987 -7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.592 -14.290 -9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.582 -15.664 -9.984 1.00 0.00 H new ATOM 639 N TYR A 41 -4.212 -14.012 -7.817 1.00 0.00 N ATOM 640 CA TYR A 41 -5.442 -13.315 -7.441 1.00 0.00 C ATOM 641 C TYR A 41 -5.516 -11.904 -8.021 1.00 0.00 C ATOM 642 O TYR A 41 -4.495 -11.225 -8.168 1.00 0.00 O ATOM 643 CB TYR A 41 -5.519 -13.294 -5.907 1.00 0.00 C ATOM 644 CG TYR A 41 -6.625 -12.477 -5.255 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.590 -11.065 -5.239 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.660 -13.152 -4.585 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.572 -10.346 -4.529 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.651 -12.433 -3.889 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.612 -11.027 -3.865 1.00 0.00 C ATOM 650 OH TYR A 41 -9.589 -10.351 -3.206 1.00 0.00 O ATOM 0 H TYR A 41 -3.775 -14.477 -7.021 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.297 -13.846 -7.858 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.619 -14.324 -5.564 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.565 -12.924 -5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.812 -10.537 -5.770 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.696 -14.231 -4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.527 -9.268 -4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.440 -12.961 -3.374 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.337 -10.956 -3.019 1.00 0.00 H new ATOM 660 N GLU A 42 -6.740 -11.436 -8.269 1.00 0.00 N ATOM 661 CA GLU A 42 -7.004 -10.097 -8.764 1.00 0.00 C ATOM 662 C GLU A 42 -7.687 -9.215 -7.740 1.00 0.00 C ATOM 663 O GLU A 42 -8.676 -9.587 -7.110 1.00 0.00 O ATOM 664 CB GLU A 42 -7.887 -10.149 -10.011 1.00 0.00 C ATOM 665 CG GLU A 42 -7.060 -10.335 -11.279 1.00 0.00 C ATOM 666 CD GLU A 42 -7.932 -10.664 -12.495 1.00 0.00 C ATOM 667 OE1 GLU A 42 -9.168 -10.475 -12.459 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.367 -11.007 -13.561 1.00 0.00 O ATOM 0 H GLU A 42 -7.584 -11.990 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.030 -9.667 -8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.600 -10.968 -9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.466 -9.229 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.492 -9.426 -11.477 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.337 -11.136 -11.125 1.00 0.00 H new ATOM 675 N ILE A 43 -7.186 -7.990 -7.668 1.00 0.00 N ATOM 676 CA ILE A 43 -7.617 -6.920 -6.792 1.00 0.00 C ATOM 677 C ILE A 43 -8.338 -5.933 -7.695 1.00 0.00 C ATOM 678 O ILE A 43 -7.681 -5.231 -8.463 1.00 0.00 O ATOM 679 CB ILE A 43 -6.385 -6.280 -6.108 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.695 -7.288 -5.156 1.00 0.00 C ATOM 681 CG2 ILE A 43 -6.827 -5.009 -5.376 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.373 -6.848 -4.517 1.00 0.00 C ATOM 0 H ILE A 43 -6.411 -7.701 -8.266 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.272 -7.263 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.645 -6.008 -6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.394 -7.531 -4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.513 -8.208 -5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.966 -4.550 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.256 -4.308 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.574 -5.263 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.997 -7.644 -3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.643 -6.637 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.538 -5.949 -3.922 1.00 0.00 H new ATOM 694 N LYS A 44 -9.671 -5.888 -7.663 1.00 0.00 N ATOM 695 CA LYS A 44 -10.422 -4.878 -8.421 1.00 0.00 C ATOM 696 C LYS A 44 -11.457 -4.139 -7.567 1.00 0.00 C ATOM 697 O LYS A 44 -12.165 -3.277 -8.088 1.00 0.00 O ATOM 698 CB LYS A 44 -10.993 -5.490 -9.719 1.00 0.00 C ATOM 699 CG LYS A 44 -9.864 -5.602 -10.760 1.00 0.00 C ATOM 700 CD LYS A 44 -10.272 -6.114 -12.142 1.00 0.00 C ATOM 701 CE LYS A 44 -10.337 -7.643 -12.149 1.00 0.00 C ATOM 702 NZ LYS A 44 -10.322 -8.187 -13.519 1.00 0.00 N ATOM 0 H LYS A 44 -10.252 -6.532 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.727 -4.095 -8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.417 -6.473 -9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.801 -4.868 -10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.408 -4.619 -10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.095 -6.264 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.243 -5.702 -12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.556 -5.771 -12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.492 -8.045 -11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.243 -7.970 -11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.933 -9.151 -13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.292 -8.210 -13.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.730 -7.584 -14.126 1.00 0.00 H new ATOM 716 N ASN A 45 -11.542 -4.433 -6.267 1.00 0.00 N ATOM 717 CA ASN A 45 -12.401 -3.716 -5.328 1.00 0.00 C ATOM 718 C ASN A 45 -11.924 -2.271 -5.189 1.00 0.00 C ATOM 719 O ASN A 45 -10.765 -2.034 -4.852 1.00 0.00 O ATOM 720 CB ASN A 45 -12.400 -4.436 -3.969 1.00 0.00 C ATOM 721 CG ASN A 45 -13.583 -3.995 -3.118 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.205 -2.978 -3.401 1.00 0.00 O ATOM 723 ND2 ASN A 45 -13.898 -4.714 -2.054 1.00 0.00 N ATOM 0 H ASN A 45 -11.008 -5.186 -5.834 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.424 -3.701 -5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.441 -5.514 -4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.469 -4.225 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.670 -4.425 -1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.369 -5.558 -1.834 1.00 0.00 H new ATOM 730 N ARG A 46 -12.789 -1.274 -5.414 1.00 0.00 N ATOM 731 CA ARG A 46 -12.433 0.105 -5.125 1.00 0.00 C ATOM 732 C ARG A 46 -12.277 0.287 -3.612 1.00 0.00 C ATOM 733 O ARG A 46 -11.523 1.157 -3.173 1.00 0.00 O ATOM 734 CB ARG A 46 -13.521 1.023 -5.720 1.00 0.00 C ATOM 735 CG ARG A 46 -13.285 2.470 -5.286 1.00 0.00 C ATOM 736 CD ARG A 46 -14.192 3.555 -5.885 1.00 0.00 C ATOM 737 NE ARG A 46 -15.616 3.289 -5.732 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.305 3.269 -4.589 1.00 0.00 C ATOM 739 NH1 ARG A 46 -15.692 3.498 -3.434 1.00 0.00 N ATOM 740 NH2 ARG A 46 -17.601 3.012 -4.606 1.00 0.00 N ATOM 0 H ARG A 46 -13.728 -1.402 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.478 0.370 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.509 0.955 -6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.506 0.693 -5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.382 2.514 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.253 2.727 -5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.959 4.510 -5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.964 3.659 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.140 3.098 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.690 3.690 -3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.223 3.482 -2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -18.073 2.829 -5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.129 2.996 -3.734 1.00 0.00 H new ATOM 754 N GLU A 47 -13.002 -0.496 -2.811 1.00 0.00 N ATOM 755 CA GLU A 47 -13.018 -0.336 -1.360 1.00 0.00 C ATOM 756 C GLU A 47 -11.609 -0.554 -0.808 1.00 0.00 C ATOM 757 O GLU A 47 -11.196 0.151 0.113 1.00 0.00 O ATOM 758 CB GLU A 47 -13.996 -1.328 -0.698 1.00 0.00 C ATOM 759 CG GLU A 47 -15.469 -1.217 -1.153 1.00 0.00 C ATOM 760 CD GLU A 47 -16.304 -2.492 -0.901 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.802 -3.487 -0.321 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.498 -2.536 -1.266 1.00 0.00 O ATOM 0 H GLU A 47 -13.592 -1.256 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.355 0.675 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.648 -2.342 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.956 -1.184 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.937 -0.381 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.493 -0.984 -2.218 1.00 0.00 H new ATOM 769 N THR A 48 -10.856 -1.497 -1.379 1.00 0.00 N ATOM 770 CA THR A 48 -9.525 -1.835 -0.903 1.00 0.00 C ATOM 771 C THR A 48 -8.557 -0.721 -1.302 1.00 0.00 C ATOM 772 O THR A 48 -7.769 -0.267 -0.472 1.00 0.00 O ATOM 773 CB THR A 48 -9.107 -3.220 -1.411 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.930 -3.267 -2.801 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.122 -4.311 -1.068 1.00 0.00 C ATOM 0 H THR A 48 -11.158 -2.045 -2.185 1.00 0.00 H new ATOM 0 HA THR A 48 -9.513 -1.904 0.185 1.00 0.00 H new ATOM 0 HB THR A 48 -8.161 -3.403 -0.902 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.479 -4.102 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.771 -5.268 -1.453 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.236 -4.375 0.014 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.084 -4.068 -1.520 1.00 0.00 H new ATOM 783 N GLY A 49 -8.714 -0.186 -2.520 1.00 0.00 N ATOM 784 CA GLY A 49 -8.016 0.996 -3.007 1.00 0.00 C ATOM 785 C GLY A 49 -8.119 2.153 -2.016 1.00 0.00 C ATOM 786 O GLY A 49 -7.125 2.811 -1.703 1.00 0.00 O ATOM 0 H GLY A 49 -9.352 -0.582 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.967 0.755 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.436 1.299 -3.966 1.00 0.00 H new ATOM 790 N CYS A 50 -9.326 2.398 -1.498 1.00 0.00 N ATOM 791 CA CYS A 50 -9.533 3.449 -0.516 1.00 0.00 C ATOM 792 C CYS A 50 -8.950 3.113 0.855 1.00 0.00 C ATOM 793 O CYS A 50 -8.457 4.016 1.530 1.00 0.00 O ATOM 794 CB CYS A 50 -11.014 3.810 -0.393 1.00 0.00 C ATOM 795 SG CYS A 50 -11.225 5.563 -0.758 1.00 0.00 S ATOM 0 H CYS A 50 -10.169 1.880 -1.746 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.988 4.317 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.606 3.208 -1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.373 3.589 0.612 1.00 0.00 H new ATOM 800 N ALA A 51 -9.010 1.852 1.293 1.00 0.00 N ATOM 801 CA ALA A 51 -8.398 1.448 2.554 1.00 0.00 C ATOM 802 C ALA A 51 -6.901 1.741 2.521 1.00 0.00 C ATOM 803 O ALA A 51 -6.400 2.367 3.453 1.00 0.00 O ATOM 804 CB ALA A 51 -8.660 -0.026 2.852 1.00 0.00 C ATOM 0 H ALA A 51 -9.477 1.097 0.791 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.852 2.026 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.191 -0.295 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.734 -0.199 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.242 -0.639 2.053 1.00 0.00 H new ATOM 810 N ILE A 52 -6.215 1.361 1.436 1.00 0.00 N ATOM 811 CA ILE A 52 -4.796 1.641 1.229 1.00 0.00 C ATOM 812 C ILE A 52 -4.556 3.137 1.452 1.00 0.00 C ATOM 813 O ILE A 52 -3.756 3.501 2.309 1.00 0.00 O ATOM 814 CB ILE A 52 -4.346 1.146 -0.170 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.434 -0.393 -0.305 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.898 1.571 -0.475 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.521 -0.886 -1.756 1.00 0.00 C ATOM 0 H ILE A 52 -6.640 0.842 0.668 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.183 1.096 1.947 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.031 1.607 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.560 -0.840 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.308 -0.746 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.613 1.209 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.826 2.658 -0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.229 1.147 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.580 -1.974 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.410 -0.470 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.635 -0.565 -2.303 1.00 0.00 H new ATOM 829 N MET A 53 -5.285 4.002 0.738 1.00 0.00 N ATOM 830 CA MET A 53 -5.094 5.448 0.813 1.00 0.00 C ATOM 831 C MET A 53 -5.345 5.995 2.225 1.00 0.00 C ATOM 832 O MET A 53 -4.596 6.842 2.708 1.00 0.00 O ATOM 833 CB MET A 53 -6.018 6.127 -0.206 1.00 0.00 C ATOM 834 CG MET A 53 -5.597 7.576 -0.470 1.00 0.00 C ATOM 835 SD MET A 53 -6.541 8.807 0.460 1.00 0.00 S ATOM 836 CE MET A 53 -8.156 8.496 -0.285 1.00 0.00 C ATOM 0 H MET A 53 -6.022 3.716 0.094 1.00 0.00 H new ATOM 0 HA MET A 53 -4.053 5.670 0.576 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.003 5.567 -1.141 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.044 6.107 0.162 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.540 7.685 -0.226 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.701 7.784 -1.535 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.727 9.424 -0.317 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.022 8.117 -1.298 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.695 7.759 0.310 1.00 0.00 H new ATOM 846 N CYS A 54 -6.383 5.503 2.910 1.00 0.00 N ATOM 847 CA CYS A 54 -6.667 5.885 4.290 1.00 0.00 C ATOM 848 C CYS A 54 -5.484 5.544 5.187 1.00 0.00 C ATOM 849 O CYS A 54 -5.045 6.362 5.993 1.00 0.00 O ATOM 850 CB CYS A 54 -7.935 5.187 4.788 1.00 0.00 C ATOM 851 SG CYS A 54 -8.458 5.724 6.430 1.00 0.00 S ATOM 0 H CYS A 54 -7.045 4.831 2.522 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.830 6.962 4.326 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.743 5.371 4.080 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.765 4.111 4.804 1.00 0.00 H new ATOM 856 N LEU A 55 -4.949 4.334 5.044 1.00 0.00 N ATOM 857 CA LEU A 55 -3.812 3.904 5.830 1.00 0.00 C ATOM 858 C LEU A 55 -2.603 4.771 5.484 1.00 0.00 C ATOM 859 O LEU A 55 -1.909 5.171 6.411 1.00 0.00 O ATOM 860 CB LEU A 55 -3.550 2.405 5.622 1.00 0.00 C ATOM 861 CG LEU A 55 -4.707 1.520 6.135 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.540 0.100 5.600 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.811 1.512 7.661 1.00 0.00 C ATOM 0 H LEU A 55 -5.292 3.635 4.385 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.019 4.035 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.393 2.212 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.630 2.127 6.136 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.639 1.947 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.357 -0.524 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.553 0.118 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.590 -0.309 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.641 0.874 7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.884 1.129 8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.983 2.527 8.019 1.00 0.00 H new ATOM 875 N SER A 56 -2.377 5.156 4.218 1.00 0.00 N ATOM 876 CA SER A 56 -1.333 6.125 3.880 1.00 0.00 C ATOM 877 C SER A 56 -1.474 7.397 4.722 1.00 0.00 C ATOM 878 O SER A 56 -0.513 7.801 5.375 1.00 0.00 O ATOM 879 CB SER A 56 -1.333 6.509 2.396 1.00 0.00 C ATOM 880 OG SER A 56 -1.324 5.400 1.519 1.00 0.00 O ATOM 0 H SER A 56 -2.904 4.810 3.416 1.00 0.00 H new ATOM 0 HA SER A 56 -0.386 5.632 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.213 7.118 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.461 7.129 2.191 1.00 0.00 H new ATOM 0 HG SER A 56 -2.149 4.884 1.636 1.00 0.00 H new ATOM 886 N THR A 57 -2.658 8.009 4.764 1.00 0.00 N ATOM 887 CA THR A 57 -2.923 9.133 5.652 1.00 0.00 C ATOM 888 C THR A 57 -2.538 8.787 7.091 1.00 0.00 C ATOM 889 O THR A 57 -1.689 9.458 7.683 1.00 0.00 O ATOM 890 CB THR A 57 -4.390 9.565 5.522 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.548 10.138 4.242 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.765 10.553 6.625 1.00 0.00 C ATOM 0 H THR A 57 -3.454 7.739 4.186 1.00 0.00 H new ATOM 0 HA THR A 57 -2.304 9.982 5.360 1.00 0.00 H new ATOM 0 HB THR A 57 -5.055 8.708 5.633 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.478 10.425 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.809 10.845 6.512 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.623 10.083 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.131 11.437 6.553 1.00 0.00 H new ATOM 900 N LYS A 58 -3.146 7.755 7.673 1.00 0.00 N ATOM 901 CA LYS A 58 -3.008 7.461 9.096 1.00 0.00 C ATOM 902 C LYS A 58 -1.585 7.042 9.486 1.00 0.00 C ATOM 903 O LYS A 58 -1.238 7.066 10.666 1.00 0.00 O ATOM 904 CB LYS A 58 -4.029 6.398 9.488 1.00 0.00 C ATOM 905 CG LYS A 58 -5.489 6.857 9.274 1.00 0.00 C ATOM 906 CD LYS A 58 -6.349 6.633 10.520 1.00 0.00 C ATOM 907 CE LYS A 58 -7.838 6.933 10.254 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.569 7.431 11.444 1.00 0.00 N ATOM 0 H LYS A 58 -3.747 7.101 7.172 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.204 8.379 9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.848 5.495 8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.887 6.134 10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.502 7.915 9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.920 6.314 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.241 5.601 10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.989 7.270 11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.913 7.673 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.323 6.026 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.533 7.707 11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.615 6.680 12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.072 8.256 11.837 1.00 0.00 H new ATOM 922 N LEU A 59 -0.736 6.662 8.529 1.00 0.00 N ATOM 923 CA LEU A 59 0.670 6.334 8.763 1.00 0.00 C ATOM 924 C LEU A 59 1.571 7.571 8.711 1.00 0.00 C ATOM 925 O LEU A 59 2.764 7.461 8.985 1.00 0.00 O ATOM 926 CB LEU A 59 1.133 5.259 7.769 1.00 0.00 C ATOM 927 CG LEU A 59 0.427 3.904 7.993 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.598 3.022 6.756 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.939 3.163 9.233 1.00 0.00 C ATOM 0 H LEU A 59 -1.013 6.572 7.551 1.00 0.00 H new ATOM 0 HA LEU A 59 0.756 5.935 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.941 5.602 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.211 5.123 7.861 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.628 4.118 8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.098 2.067 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.159 3.519 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.659 2.850 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.406 2.218 9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.006 2.968 9.125 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.770 3.776 10.119 1.00 0.00 H new ATOM 941 N ASN A 60 1.018 8.749 8.413 1.00 0.00 N ATOM 942 CA ASN A 60 1.677 9.880 7.766 1.00 0.00 C ATOM 943 C ASN A 60 2.545 9.378 6.627 1.00 0.00 C ATOM 944 O ASN A 60 3.752 9.191 6.785 1.00 0.00 O ATOM 945 CB ASN A 60 2.460 10.831 8.694 1.00 0.00 C ATOM 946 CG ASN A 60 2.956 12.042 7.897 1.00 0.00 C ATOM 947 OD1 ASN A 60 2.444 12.339 6.825 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.945 12.764 8.398 1.00 0.00 N ATOM 0 H ASN A 60 0.042 8.948 8.631 1.00 0.00 H new ATOM 0 HA ASN A 60 0.870 10.508 7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.822 11.160 9.514 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.305 10.306 9.139 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.290 13.579 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.363 12.506 9.292 1.00 0.00 H new ATOM 955 N MET A 61 1.913 9.134 5.487 1.00 0.00 N ATOM 956 CA MET A 61 2.614 8.865 4.246 1.00 0.00 C ATOM 957 C MET A 61 2.215 9.846 3.146 1.00 0.00 C ATOM 958 O MET A 61 2.665 9.670 2.013 1.00 0.00 O ATOM 959 CB MET A 61 2.475 7.388 3.815 1.00 0.00 C ATOM 960 CG MET A 61 3.486 6.519 4.562 1.00 0.00 C ATOM 961 SD MET A 61 3.121 4.748 4.656 1.00 0.00 S ATOM 962 CE MET A 61 3.578 4.296 2.970 1.00 0.00 C ATOM 0 H MET A 61 0.897 9.118 5.400 1.00 0.00 H new ATOM 0 HA MET A 61 3.676 9.028 4.429 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.463 7.037 4.018 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.633 7.299 2.740 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.458 6.641 4.085 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.579 6.902 5.578 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.423 3.227 2.825 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.960 4.851 2.264 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.628 4.536 2.801 1.00 0.00 H new ATOM 972 N LEU A 62 1.421 10.876 3.447 1.00 0.00 N ATOM 973 CA LEU A 62 1.044 11.889 2.474 1.00 0.00 C ATOM 974 C LEU A 62 1.731 13.196 2.836 1.00 0.00 C ATOM 975 O LEU A 62 1.864 13.527 4.013 1.00 0.00 O ATOM 976 CB LEU A 62 -0.476 12.072 2.389 1.00 0.00 C ATOM 977 CG LEU A 62 -1.271 10.800 2.039 1.00 0.00 C ATOM 978 CD1 LEU A 62 -2.713 11.209 1.738 1.00 0.00 C ATOM 979 CD2 LEU A 62 -0.719 10.030 0.832 1.00 0.00 C ATOM 0 H LEU A 62 1.024 11.026 4.374 1.00 0.00 H new ATOM 0 HA LEU A 62 1.369 11.561 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.834 12.453 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.693 12.834 1.641 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.195 10.130 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.297 10.324 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.145 11.692 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.726 11.903 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.334 9.148 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.737 10.672 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.307 9.722 1.035 1.00 0.00 H new ATOM 1053 N LEU A 68 2.098 11.451 -2.080 1.00 0.00 N ATOM 1054 CA LEU A 68 2.947 10.780 -1.094 1.00 0.00 C ATOM 1055 C LEU A 68 4.144 11.669 -0.739 1.00 0.00 C ATOM 1056 O LEU A 68 4.733 12.314 -1.605 1.00 0.00 O ATOM 1057 CB LEU A 68 3.367 9.400 -1.615 1.00 0.00 C ATOM 1058 CG LEU A 68 4.427 8.674 -0.754 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.141 7.177 -0.672 1.00 0.00 C ATOM 1060 CD2 LEU A 68 5.822 8.842 -1.357 1.00 0.00 C ATOM 0 HA LEU A 68 2.387 10.617 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.481 8.769 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.757 9.513 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 68 4.383 9.119 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.903 6.694 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.161 7.018 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.155 6.748 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.552 8.323 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.837 8.421 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.073 9.902 -1.404 1.00 0.00 H new ATOM 1072 N HIS A 69 4.526 11.680 0.540 1.00 0.00 N ATOM 1073 CA HIS A 69 5.725 12.355 1.017 1.00 0.00 C ATOM 1074 C HIS A 69 6.947 11.447 0.850 1.00 0.00 C ATOM 1075 O HIS A 69 7.111 10.488 1.603 1.00 0.00 O ATOM 1076 CB HIS A 69 5.542 12.749 2.488 1.00 0.00 C ATOM 1077 CG HIS A 69 6.601 13.703 2.968 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.937 13.406 3.093 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.419 14.996 3.374 1.00 0.00 C ATOM 1080 CE1 HIS A 69 8.550 14.485 3.604 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.671 15.494 3.763 1.00 0.00 N ATOM 0 H HIS A 69 4.001 11.213 1.280 1.00 0.00 H new ATOM 0 HA HIS A 69 5.888 13.257 0.427 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.561 13.206 2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.560 11.851 3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.483 15.535 3.392 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.600 14.537 3.853 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.876 16.435 4.100 1.00 0.00 H new ATOM 1089 N HIS A 70 7.849 11.736 -0.081 1.00 0.00 N ATOM 1090 CA HIS A 70 8.979 10.852 -0.377 1.00 0.00 C ATOM 1091 C HIS A 70 9.887 10.583 0.822 1.00 0.00 C ATOM 1092 O HIS A 70 10.377 9.463 0.979 1.00 0.00 O ATOM 1093 CB HIS A 70 9.772 11.443 -1.537 1.00 0.00 C ATOM 1094 CG HIS A 70 8.921 11.494 -2.774 1.00 0.00 C ATOM 1095 ND1 HIS A 70 8.493 12.613 -3.453 1.00 0.00 N ATOM 1096 CD2 HIS A 70 8.318 10.406 -3.335 1.00 0.00 C ATOM 1097 CE1 HIS A 70 7.676 12.192 -4.437 1.00 0.00 C ATOM 1098 NE2 HIS A 70 7.570 10.851 -4.416 1.00 0.00 N ATOM 0 H HIS A 70 7.822 12.582 -0.650 1.00 0.00 H new ATOM 0 HA HIS A 70 8.569 9.879 -0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.114 12.446 -1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.661 10.841 -1.723 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.747 13.579 -3.249 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.407 9.384 -2.999 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.177 12.839 -5.143 1.00 0.00 H new ATOM 1106 N GLY A 71 10.086 11.589 1.677 1.00 0.00 N ATOM 1107 CA GLY A 71 10.835 11.438 2.913 1.00 0.00 C ATOM 1108 C GLY A 71 10.133 10.459 3.863 1.00 0.00 C ATOM 1109 O GLY A 71 10.642 9.367 4.099 1.00 0.00 O ATOM 0 H GLY A 71 9.728 12.532 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.840 11.079 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.943 12.408 3.398 1.00 0.00 H new ATOM 1113 N ASN A 72 8.953 10.819 4.388 1.00 0.00 N ATOM 1114 CA ASN A 72 8.270 10.059 5.439 1.00 0.00 C ATOM 1115 C ASN A 72 7.994 8.603 5.076 1.00 0.00 C ATOM 1116 O ASN A 72 8.061 7.744 5.950 1.00 0.00 O ATOM 1117 CB ASN A 72 6.952 10.735 5.868 1.00 0.00 C ATOM 1118 CG ASN A 72 6.919 10.863 7.386 1.00 0.00 C ATOM 1119 OD1 ASN A 72 7.805 11.476 7.975 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.934 10.316 8.062 1.00 0.00 N ATOM 0 H ASN A 72 8.444 11.652 4.092 1.00 0.00 H new ATOM 0 HA ASN A 72 8.972 10.056 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.869 11.719 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.101 10.148 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.904 10.400 9.078 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.199 9.807 7.571 1.00 0.00 H new ATOM 1127 N ALA A 73 7.725 8.302 3.804 1.00 0.00 N ATOM 1128 CA ALA A 73 7.582 6.942 3.301 1.00 0.00 C ATOM 1129 C ALA A 73 8.860 6.148 3.574 1.00 0.00 C ATOM 1130 O ALA A 73 8.816 5.051 4.127 1.00 0.00 O ATOM 1131 CB ALA A 73 7.277 6.978 1.800 1.00 0.00 C ATOM 0 H ALA A 73 7.599 9.013 3.084 1.00 0.00 H new ATOM 0 HA ALA A 73 6.756 6.450 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.170 5.960 1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.350 7.526 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.093 7.474 1.275 1.00 0.00 H new ATOM 1137 N MET A 74 10.015 6.714 3.226 1.00 0.00 N ATOM 1138 CA MET A 74 11.291 6.091 3.510 1.00 0.00 C ATOM 1139 C MET A 74 11.611 6.089 5.011 1.00 0.00 C ATOM 1140 O MET A 74 12.272 5.164 5.486 1.00 0.00 O ATOM 1141 CB MET A 74 12.384 6.783 2.698 1.00 0.00 C ATOM 1142 CG MET A 74 13.672 5.977 2.849 1.00 0.00 C ATOM 1143 SD MET A 74 14.993 6.378 1.701 1.00 0.00 S ATOM 1144 CE MET A 74 14.429 5.391 0.307 1.00 0.00 C ATOM 0 H MET A 74 10.085 7.610 2.744 1.00 0.00 H new ATOM 0 HA MET A 74 11.240 5.044 3.213 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.096 6.846 1.649 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.531 7.804 3.050 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.046 6.114 3.864 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.430 4.920 2.738 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.453 5.995 -0.600 1.00 0.00 H new ATOM 0 HE2 MET A 74 15.082 4.527 0.185 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.409 5.052 0.490 1.00 0.00 H new ATOM 1154 N GLU A 75 11.139 7.069 5.788 1.00 0.00 N ATOM 1155 CA GLU A 75 11.252 6.988 7.243 1.00 0.00 C ATOM 1156 C GLU A 75 10.465 5.774 7.748 1.00 0.00 C ATOM 1157 O GLU A 75 10.983 5.044 8.592 1.00 0.00 O ATOM 1158 CB GLU A 75 10.804 8.275 7.961 1.00 0.00 C ATOM 1159 CG GLU A 75 11.678 9.498 7.633 1.00 0.00 C ATOM 1160 CD GLU A 75 11.354 10.707 8.521 1.00 0.00 C ATOM 1161 OE1 GLU A 75 11.517 10.624 9.762 1.00 0.00 O ATOM 1162 OE2 GLU A 75 10.924 11.766 8.016 1.00 0.00 O ATOM 0 H GLU A 75 10.683 7.912 5.440 1.00 0.00 H new ATOM 0 HA GLU A 75 12.309 6.870 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.771 8.493 7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.820 8.105 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.728 9.233 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.537 9.771 6.587 1.00 0.00 H new ATOM 1169 N PHE A 76 9.259 5.510 7.223 1.00 0.00 N ATOM 1170 CA PHE A 76 8.466 4.327 7.566 1.00 0.00 C ATOM 1171 C PHE A 76 9.248 3.055 7.245 1.00 0.00 C ATOM 1172 O PHE A 76 9.225 2.087 8.004 1.00 0.00 O ATOM 1173 CB PHE A 76 7.126 4.302 6.806 1.00 0.00 C ATOM 1174 CG PHE A 76 6.110 3.344 7.404 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.543 3.612 8.665 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.760 2.163 6.722 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.613 2.714 9.225 1.00 0.00 C ATOM 1178 CE2 PHE A 76 4.848 1.257 7.292 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.260 1.538 8.534 1.00 0.00 C ATOM 0 H PHE A 76 8.805 6.119 6.542 1.00 0.00 H new ATOM 0 HA PHE A 76 8.257 4.374 8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.704 5.307 6.796 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.311 4.023 5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.821 4.506 9.203 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.194 1.952 5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.170 2.928 10.186 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.600 0.343 6.773 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.539 0.855 8.959 1.00 0.00 H new ATOM 1189 N ALA A 77 9.950 3.060 6.118 1.00 0.00 N ATOM 1190 CA ALA A 77 10.749 1.945 5.666 1.00 0.00 C ATOM 1191 C ALA A 77 11.908 1.671 6.624 1.00 0.00 C ATOM 1192 O ALA A 77 12.025 0.569 7.166 1.00 0.00 O ATOM 1193 CB ALA A 77 11.231 2.262 4.259 1.00 0.00 C ATOM 0 H ALA A 77 9.975 3.860 5.485 1.00 0.00 H new ATOM 0 HA ALA A 77 10.154 1.032 5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.839 1.437 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.372 2.403 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.828 3.174 4.276 1.00 0.00 H new ATOM 1199 N LYS A 78 12.789 2.656 6.837 1.00 0.00 N ATOM 1200 CA LYS A 78 13.975 2.481 7.657 1.00 0.00 C ATOM 1201 C LYS A 78 13.579 2.175 9.101 1.00 0.00 C ATOM 1202 O LYS A 78 14.223 1.332 9.724 1.00 0.00 O ATOM 1203 CB LYS A 78 14.892 3.714 7.529 1.00 0.00 C ATOM 1204 CG LYS A 78 16.023 3.507 6.499 1.00 0.00 C ATOM 1205 CD LYS A 78 15.702 3.926 5.049 1.00 0.00 C ATOM 1206 CE LYS A 78 16.634 5.044 4.556 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.402 6.362 5.191 1.00 0.00 N ATOM 0 H LYS A 78 12.692 3.592 6.443 1.00 0.00 H new ATOM 0 HA LYS A 78 14.548 1.624 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.295 4.578 7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.328 3.941 8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.898 4.065 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.299 2.453 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.794 3.061 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.667 4.263 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.667 4.745 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.516 5.149 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.587 7.117 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.415 6.423 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.040 6.472 6.005 1.00 0.00 H new ATOM 1221 N LYS A 79 12.490 2.764 9.604 1.00 0.00 N ATOM 1222 CA LYS A 79 11.841 2.379 10.854 1.00 0.00 C ATOM 1223 C LYS A 79 11.669 0.870 10.941 1.00 0.00 C ATOM 1224 O LYS A 79 12.106 0.272 11.921 1.00 0.00 O ATOM 1225 CB LYS A 79 10.513 3.125 10.953 1.00 0.00 C ATOM 1226 CG LYS A 79 9.630 2.659 12.109 1.00 0.00 C ATOM 1227 CD LYS A 79 8.240 3.300 12.057 1.00 0.00 C ATOM 1228 CE LYS A 79 8.094 4.445 13.056 1.00 0.00 C ATOM 1229 NZ LYS A 79 8.041 3.931 14.439 1.00 0.00 N ATOM 0 H LYS A 79 12.025 3.543 9.138 1.00 0.00 H new ATOM 0 HA LYS A 79 12.465 2.656 11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.713 4.190 11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.967 3.002 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.531 1.574 12.077 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.110 2.907 13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.051 3.673 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.484 2.542 12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.932 5.134 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.188 5.010 12.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.660 4.666 15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.427 3.093 14.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.999 3.672 14.750 1.00 0.00 H new ATOM 1243 N HIS A 80 11.013 0.262 9.953 1.00 0.00 N ATOM 1244 CA HIS A 80 10.695 -1.157 9.979 1.00 0.00 C ATOM 1245 C HIS A 80 11.911 -2.046 9.693 1.00 0.00 C ATOM 1246 O HIS A 80 11.765 -3.264 9.749 1.00 0.00 O ATOM 1247 CB HIS A 80 9.528 -1.433 9.021 1.00 0.00 C ATOM 1248 CG HIS A 80 8.228 -0.905 9.571 1.00 0.00 C ATOM 1249 ND1 HIS A 80 7.894 0.416 9.743 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.210 -1.652 10.088 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.730 0.466 10.402 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.277 -0.773 10.637 1.00 0.00 N ATOM 0 H HIS A 80 10.689 0.743 9.114 1.00 0.00 H new ATOM 0 HA HIS A 80 10.388 -1.421 10.991 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.731 -0.970 8.055 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.443 -2.506 8.849 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.438 1.218 9.424 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.140 -2.730 10.074 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.228 1.374 10.701 1.00 0.00 H new ATOM 1260 N GLY A 81 13.095 -1.486 9.423 1.00 0.00 N ATOM 1261 CA GLY A 81 14.313 -2.255 9.194 1.00 0.00 C ATOM 1262 C GLY A 81 14.659 -2.401 7.715 1.00 0.00 C ATOM 1263 O GLY A 81 15.535 -3.195 7.370 1.00 0.00 O ATOM 0 H GLY A 81 13.231 -0.477 9.358 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.143 -1.772 9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.198 -3.246 9.634 1.00 0.00 H new ATOM 1267 N ALA A 82 13.979 -1.673 6.825 1.00 0.00 N ATOM 1268 CA ALA A 82 14.214 -1.778 5.393 1.00 0.00 C ATOM 1269 C ALA A 82 15.616 -1.306 5.027 1.00 0.00 C ATOM 1270 O ALA A 82 16.157 -0.401 5.667 1.00 0.00 O ATOM 1271 CB ALA A 82 13.188 -0.936 4.651 1.00 0.00 C ATOM 0 H ALA A 82 13.256 -1.000 7.080 1.00 0.00 H new ATOM 0 HA ALA A 82 14.120 -2.825 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.362 -1.013 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.186 -1.296 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.280 0.105 4.960 1.00 0.00 H new ATOM 1277 N ASP A 83 16.170 -1.906 3.973 1.00 0.00 N ATOM 1278 CA ASP A 83 17.472 -1.528 3.425 1.00 0.00 C ATOM 1279 C ASP A 83 17.295 -0.271 2.577 1.00 0.00 C ATOM 1280 O ASP A 83 16.174 0.067 2.191 1.00 0.00 O ATOM 1281 CB ASP A 83 18.100 -2.635 2.560 1.00 0.00 C ATOM 1282 CG ASP A 83 18.019 -4.051 3.129 1.00 0.00 C ATOM 1283 OD1 ASP A 83 18.093 -4.238 4.364 1.00 0.00 O ATOM 1284 OD2 ASP A 83 17.800 -4.993 2.327 1.00 0.00 O ATOM 0 H ASP A 83 15.724 -2.674 3.472 1.00 0.00 H new ATOM 0 HA ASP A 83 18.147 -1.354 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.614 -2.627 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.149 -2.390 2.395 1.00 0.00 H new ATOM 1289 N GLU A 84 18.386 0.404 2.222 1.00 0.00 N ATOM 1290 CA GLU A 84 18.307 1.645 1.472 1.00 0.00 C ATOM 1291 C GLU A 84 17.802 1.404 0.042 1.00 0.00 C ATOM 1292 O GLU A 84 16.788 1.986 -0.341 1.00 0.00 O ATOM 1293 CB GLU A 84 19.660 2.371 1.487 1.00 0.00 C ATOM 1294 CG GLU A 84 19.400 3.866 1.709 1.00 0.00 C ATOM 1295 CD GLU A 84 20.456 4.814 1.143 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.604 4.413 0.831 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.116 6.013 1.005 1.00 0.00 O ATOM 0 H GLU A 84 19.336 0.107 2.445 1.00 0.00 H new ATOM 0 HA GLU A 84 17.578 2.293 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.295 1.974 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.187 2.213 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.437 4.118 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.314 4.046 2.781 1.00 0.00 H new ATOM 1304 N THR A 85 18.443 0.507 -0.727 1.00 0.00 N ATOM 1305 CA THR A 85 18.037 0.199 -2.100 1.00 0.00 C ATOM 1306 C THR A 85 16.596 -0.299 -2.112 1.00 0.00 C ATOM 1307 O THR A 85 15.845 0.034 -3.022 1.00 0.00 O ATOM 1308 CB THR A 85 18.959 -0.874 -2.708 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.311 -0.452 -2.647 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.578 -1.255 -4.152 1.00 0.00 C ATOM 0 H THR A 85 19.256 -0.022 -0.410 1.00 0.00 H new ATOM 0 HA THR A 85 18.114 1.107 -2.697 1.00 0.00 H new ATOM 0 HB THR A 85 18.829 -1.774 -2.107 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.887 -1.143 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.266 -2.015 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.561 -1.648 -4.169 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.636 -0.372 -4.789 1.00 0.00 H new ATOM 1318 N MET A 86 16.204 -1.087 -1.107 1.00 0.00 N ATOM 1319 CA MET A 86 14.837 -1.521 -0.912 1.00 0.00 C ATOM 1320 C MET A 86 13.945 -0.298 -0.790 1.00 0.00 C ATOM 1321 O MET A 86 13.015 -0.133 -1.569 1.00 0.00 O ATOM 1322 CB MET A 86 14.778 -2.421 0.336 1.00 0.00 C ATOM 1323 CG MET A 86 13.403 -2.478 1.000 1.00 0.00 C ATOM 1324 SD MET A 86 13.270 -3.629 2.388 1.00 0.00 S ATOM 1325 CE MET A 86 11.529 -3.297 2.776 1.00 0.00 C ATOM 0 H MET A 86 16.847 -1.442 -0.399 1.00 0.00 H new ATOM 0 HA MET A 86 14.479 -2.105 -1.760 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.077 -3.431 0.057 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.506 -2.063 1.064 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.144 -1.479 1.350 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.664 -2.753 0.247 1.00 0.00 H new ATOM 0 HE1 MET A 86 11.246 -3.844 3.675 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.391 -2.229 2.942 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.903 -3.619 1.944 1.00 0.00 H new ATOM 1335 N ALA A 87 14.188 0.546 0.201 1.00 0.00 N ATOM 1336 CA ALA A 87 13.279 1.628 0.484 1.00 0.00 C ATOM 1337 C ALA A 87 13.162 2.591 -0.694 1.00 0.00 C ATOM 1338 O ALA A 87 12.066 3.102 -0.944 1.00 0.00 O ATOM 1339 CB ALA A 87 13.646 2.221 1.829 1.00 0.00 C ATOM 0 H ALA A 87 15.002 0.498 0.814 1.00 0.00 H new ATOM 0 HA ALA A 87 12.252 1.278 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.969 3.043 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.564 1.454 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.670 2.593 1.795 1.00 0.00 H new ATOM 1345 N GLN A 88 14.246 2.789 -1.449 1.00 0.00 N ATOM 1346 CA GLN A 88 14.200 3.595 -2.651 1.00 0.00 C ATOM 1347 C GLN A 88 13.446 2.863 -3.758 1.00 0.00 C ATOM 1348 O GLN A 88 12.652 3.517 -4.415 1.00 0.00 O ATOM 1349 CB GLN A 88 15.607 4.044 -3.070 1.00 0.00 C ATOM 1350 CG GLN A 88 15.585 5.462 -3.668 1.00 0.00 C ATOM 1351 CD GLN A 88 14.870 5.555 -5.015 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.188 4.836 -5.957 1.00 0.00 O ATOM 1353 NE2 GLN A 88 13.897 6.442 -5.141 1.00 0.00 N ATOM 0 H GLN A 88 15.164 2.397 -1.240 1.00 0.00 H new ATOM 0 HA GLN A 88 13.642 4.508 -2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.271 4.021 -2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.012 3.345 -3.801 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.099 6.136 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.611 5.811 -3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.641 7.034 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.402 6.534 -6.028 1.00 0.00 H new ATOM 1362 N GLN A 89 13.617 1.545 -3.930 1.00 0.00 N ATOM 1363 CA GLN A 89 12.848 0.731 -4.860 1.00 0.00 C ATOM 1364 C GLN A 89 11.362 0.996 -4.659 1.00 0.00 C ATOM 1365 O GLN A 89 10.704 1.420 -5.604 1.00 0.00 O ATOM 1366 CB GLN A 89 13.194 -0.753 -4.693 1.00 0.00 C ATOM 1367 CG GLN A 89 14.376 -1.159 -5.560 1.00 0.00 C ATOM 1368 CD GLN A 89 13.996 -1.594 -6.965 1.00 0.00 C ATOM 1369 OE1 GLN A 89 13.284 -0.908 -7.689 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.488 -2.749 -7.377 1.00 0.00 N ATOM 0 H GLN A 89 14.312 1.010 -3.410 1.00 0.00 H new ATOM 0 HA GLN A 89 13.106 1.004 -5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.423 -0.957 -3.647 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.327 -1.360 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.069 -0.320 -5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.908 -1.975 -5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.078 -3.302 -6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.277 -3.087 -8.316 1.00 0.00 H new ATOM 1379 N LEU A 90 10.824 0.797 -3.448 1.00 0.00 N ATOM 1380 CA LEU A 90 9.432 1.078 -3.187 1.00 0.00 C ATOM 1381 C LEU A 90 9.037 2.497 -3.551 1.00 0.00 C ATOM 1382 O LEU A 90 8.017 2.640 -4.222 1.00 0.00 O ATOM 1383 CB LEU A 90 9.122 0.778 -1.724 1.00 0.00 C ATOM 1384 CG LEU A 90 9.215 -0.698 -1.287 1.00 0.00 C ATOM 1385 CD1 LEU A 90 9.069 -1.761 -2.387 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.416 -1.042 -0.405 1.00 0.00 C ATOM 0 H LEU A 90 11.342 0.443 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 90 8.835 0.430 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.804 1.360 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.114 1.134 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 90 8.311 -0.756 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.154 -2.754 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.095 -1.658 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.855 -1.626 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.390 -2.102 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.338 -0.819 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.377 -0.450 0.509 1.00 0.00 H new ATOM 1398 N ILE A 91 9.787 3.526 -3.143 1.00 0.00 N ATOM 1399 CA ILE A 91 9.384 4.879 -3.501 1.00 0.00 C ATOM 1400 C ILE A 91 9.468 5.094 -5.008 1.00 0.00 C ATOM 1401 O ILE A 91 8.626 5.816 -5.533 1.00 0.00 O ATOM 1402 CB ILE A 91 10.101 5.975 -2.670 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.325 6.194 -1.349 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.184 7.327 -3.414 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.741 5.189 -0.273 1.00 0.00 C ATOM 0 H ILE A 91 10.640 3.451 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 91 8.334 4.987 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 91 11.118 5.629 -2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.501 7.207 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.255 6.104 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.695 8.057 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.738 7.197 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.178 7.682 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.174 5.376 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.541 4.177 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.806 5.297 -0.066 1.00 0.00 H new ATOM 1417 N ASP A 92 10.427 4.510 -5.717 1.00 0.00 N ATOM 1418 CA ASP A 92 10.556 4.692 -7.153 1.00 0.00 C ATOM 1419 C ASP A 92 9.334 4.091 -7.842 1.00 0.00 C ATOM 1420 O ASP A 92 8.679 4.760 -8.643 1.00 0.00 O ATOM 1421 CB ASP A 92 11.857 4.046 -7.654 1.00 0.00 C ATOM 1422 CG ASP A 92 12.288 4.560 -9.027 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.541 5.308 -9.695 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.450 4.290 -9.412 1.00 0.00 O ATOM 0 H ASP A 92 11.135 3.898 -5.311 1.00 0.00 H new ATOM 0 HA ASP A 92 10.604 5.755 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.652 4.238 -6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.725 2.965 -7.702 1.00 0.00 H new ATOM 1429 N ILE A 93 8.970 2.861 -7.460 1.00 0.00 N ATOM 1430 CA ILE A 93 7.846 2.134 -8.018 1.00 0.00 C ATOM 1431 C ILE A 93 6.567 2.935 -7.746 1.00 0.00 C ATOM 1432 O ILE A 93 5.829 3.254 -8.686 1.00 0.00 O ATOM 1433 CB ILE A 93 7.815 0.710 -7.413 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.063 -0.126 -7.806 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.552 -0.019 -7.892 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.416 -1.253 -6.819 1.00 0.00 C ATOM 0 H ILE A 93 9.466 2.340 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 93 7.936 2.017 -9.098 1.00 0.00 H new ATOM 0 HB ILE A 93 7.814 0.816 -6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.896 -0.562 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.919 0.543 -7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.528 -1.022 -7.467 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.669 0.533 -7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.561 -0.086 -8.980 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.300 -1.783 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.618 -0.826 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.580 -1.949 -6.747 1.00 0.00 H new ATOM 1448 N VAL A 94 6.315 3.245 -6.468 1.00 0.00 N ATOM 1449 CA VAL A 94 5.134 3.961 -6.013 1.00 0.00 C ATOM 1450 C VAL A 94 5.053 5.314 -6.704 1.00 0.00 C ATOM 1451 O VAL A 94 4.012 5.644 -7.276 1.00 0.00 O ATOM 1452 CB VAL A 94 5.111 4.074 -4.465 1.00 0.00 C ATOM 1453 CG1 VAL A 94 3.970 4.991 -4.005 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.833 2.696 -3.868 1.00 0.00 C ATOM 0 H VAL A 94 6.948 2.995 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 94 4.242 3.398 -6.289 1.00 0.00 H new ATOM 0 HB VAL A 94 6.073 4.472 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.972 5.056 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.109 5.986 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.017 4.583 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.815 2.767 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.869 2.333 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.616 2.002 -4.173 1.00 0.00 H new ATOM 1464 N HIS A 95 6.136 6.095 -6.643 1.00 0.00 N ATOM 1465 CA HIS A 95 6.094 7.484 -7.048 1.00 0.00 C ATOM 1466 C HIS A 95 5.751 7.517 -8.546 1.00 0.00 C ATOM 1467 O HIS A 95 4.953 8.339 -8.995 1.00 0.00 O ATOM 1468 CB HIS A 95 7.429 8.219 -6.864 1.00 0.00 C ATOM 1469 CG HIS A 95 7.350 9.645 -7.358 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.272 10.296 -8.150 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.321 10.517 -7.116 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.819 11.547 -8.345 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.632 11.725 -7.744 1.00 0.00 N ATOM 0 H HIS A 95 7.049 5.779 -6.315 1.00 0.00 H new ATOM 0 HA HIS A 95 5.357 7.985 -6.421 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.706 8.213 -5.810 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.214 7.689 -7.403 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.137 9.902 -8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.430 10.308 -6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.340 12.306 -8.909 1.00 0.00 H new ATOM 1481 N GLY A 96 6.394 6.619 -9.310 1.00 0.00 N ATOM 1482 CA GLY A 96 6.207 6.451 -10.737 1.00 0.00 C ATOM 1483 C GLY A 96 4.733 6.258 -11.056 1.00 0.00 C ATOM 1484 O GLY A 96 4.154 7.092 -11.759 1.00 0.00 O ATOM 0 H GLY A 96 7.081 5.972 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.590 7.324 -11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.778 5.591 -11.087 1.00 0.00 H new ATOM 1488 N CYS A 97 4.130 5.196 -10.507 1.00 0.00 N ATOM 1489 CA CYS A 97 2.712 4.873 -10.633 1.00 0.00 C ATOM 1490 C CYS A 97 1.805 6.017 -10.187 1.00 0.00 C ATOM 1491 O CYS A 97 0.798 6.229 -10.847 1.00 0.00 O ATOM 1492 CB CYS A 97 2.412 3.567 -9.901 1.00 0.00 C ATOM 1493 SG CYS A 97 2.860 2.082 -10.844 1.00 0.00 S ATOM 0 H CYS A 97 4.639 4.516 -9.943 1.00 0.00 H new ATOM 0 HA CYS A 97 2.489 4.731 -11.690 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.950 3.560 -8.953 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.349 3.529 -9.665 1.00 0.00 H new ATOM 1498 N GLU A 98 2.126 6.818 -9.170 1.00 0.00 N ATOM 1499 CA GLU A 98 1.260 7.931 -8.759 1.00 0.00 C ATOM 1500 C GLU A 98 0.970 8.924 -9.899 1.00 0.00 C ATOM 1501 O GLU A 98 -0.031 9.643 -9.833 1.00 0.00 O ATOM 1502 CB GLU A 98 1.833 8.655 -7.534 1.00 0.00 C ATOM 1503 CG GLU A 98 1.488 7.900 -6.247 1.00 0.00 C ATOM 1504 CD GLU A 98 1.908 8.625 -4.960 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.939 9.886 -4.932 1.00 0.00 O ATOM 1506 OE2 GLU A 98 2.154 7.911 -3.968 1.00 0.00 O ATOM 0 H GLU A 98 2.976 6.720 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 98 0.303 7.487 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.915 8.743 -7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.434 9.668 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.412 7.726 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.968 6.922 -6.273 1.00 0.00 H new ATOM 1513 N LYS A 99 1.762 8.916 -10.978 1.00 0.00 N ATOM 1514 CA LYS A 99 1.525 9.674 -12.213 1.00 0.00 C ATOM 1515 C LYS A 99 1.228 8.729 -13.378 1.00 0.00 C ATOM 1516 O LYS A 99 0.303 8.977 -14.149 1.00 0.00 O ATOM 1517 CB LYS A 99 2.745 10.555 -12.544 1.00 0.00 C ATOM 1518 CG LYS A 99 2.838 11.845 -11.718 1.00 0.00 C ATOM 1519 CD LYS A 99 3.430 11.688 -10.307 1.00 0.00 C ATOM 1520 CE LYS A 99 3.534 13.094 -9.705 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.290 13.139 -8.439 1.00 0.00 N ATOM 0 H LYS A 99 2.617 8.361 -11.017 1.00 0.00 H new ATOM 0 HA LYS A 99 0.658 10.316 -12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.652 9.972 -12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.713 10.817 -13.602 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.443 12.565 -12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.839 12.271 -11.628 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.795 11.051 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.410 11.214 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.012 13.755 -10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.530 13.482 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.423 14.129 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.762 12.631 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.218 12.689 -8.573 1.00 0.00 H new ATOM 1535 N SER A 100 2.018 7.667 -13.534 1.00 0.00 N ATOM 1536 CA SER A 100 1.909 6.679 -14.601 1.00 0.00 C ATOM 1537 C SER A 100 0.527 6.020 -14.645 1.00 0.00 C ATOM 1538 O SER A 100 -0.075 5.926 -15.716 1.00 0.00 O ATOM 1539 CB SER A 100 3.017 5.641 -14.409 1.00 0.00 C ATOM 1540 OG SER A 100 4.235 6.049 -15.015 1.00 0.00 O ATOM 0 H SER A 100 2.784 7.465 -12.891 1.00 0.00 H new ATOM 0 HA SER A 100 2.029 7.179 -15.562 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.179 5.476 -13.344 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.700 4.689 -14.835 1.00 0.00 H new ATOM 0 HG SER A 100 4.919 5.362 -14.870 1.00 0.00 H new ATOM 1546 N THR A 101 0.028 5.565 -13.501 1.00 0.00 N ATOM 1547 CA THR A 101 -1.218 4.838 -13.388 1.00 0.00 C ATOM 1548 C THR A 101 -2.394 5.718 -13.850 1.00 0.00 C ATOM 1549 O THR A 101 -2.597 6.815 -13.315 1.00 0.00 O ATOM 1550 CB THR A 101 -1.343 4.368 -11.932 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.364 3.377 -11.673 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.715 3.799 -11.583 1.00 0.00 C ATOM 0 H THR A 101 0.497 5.699 -12.605 1.00 0.00 H new ATOM 0 HA THR A 101 -1.236 3.963 -14.038 1.00 0.00 H new ATOM 0 HB THR A 101 -1.197 5.253 -11.312 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.539 2.964 -10.802 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.725 3.489 -10.538 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.477 4.562 -11.742 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.925 2.939 -12.219 1.00 0.00 H new ATOM 1560 N PRO A 102 -3.192 5.254 -14.826 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.485 5.838 -15.138 1.00 0.00 C ATOM 1562 C PRO A 102 -5.495 5.463 -14.063 1.00 0.00 C ATOM 1563 O PRO A 102 -5.414 4.392 -13.450 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.851 5.286 -16.517 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.166 3.924 -16.558 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.978 4.051 -15.613 1.00 0.00 C ATOM 0 HA PRO A 102 -4.471 6.928 -15.159 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.930 5.195 -16.638 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.495 5.937 -17.316 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.843 3.132 -16.237 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.842 3.676 -17.569 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.902 3.176 -14.968 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.045 4.116 -16.172 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.444 6.369 -13.834 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.512 6.264 -12.862 1.00 0.00 C ATOM 1576 C ALA A 103 -8.706 7.063 -13.366 1.00 0.00 C ATOM 1577 O ALA A 103 -8.741 7.507 -14.514 1.00 0.00 O ATOM 1578 CB ALA A 103 -7.040 6.733 -11.486 1.00 0.00 C ATOM 0 H ALA A 103 -6.483 7.244 -14.356 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.814 5.223 -12.744 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.858 6.646 -10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.204 6.115 -11.158 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.720 7.773 -11.546 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.725 7.170 -12.517 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.644 8.300 -12.551 1.00 0.00 C ATOM 1586 C ASN A 104 -10.396 9.171 -11.320 1.00 0.00 C ATOM 1587 O ASN A 104 -9.488 8.872 -10.549 1.00 0.00 O ATOM 1588 CB ASN A 104 -12.096 7.880 -12.769 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.749 7.521 -11.469 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -13.552 8.277 -10.937 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -12.365 6.390 -10.915 1.00 0.00 N ATOM 0 H ASN A 104 -9.934 6.482 -11.793 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.442 8.915 -13.428 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.646 8.692 -13.245 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.134 7.028 -13.448 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.739 6.114 -10.007 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.693 5.790 -11.394 1.00 0.00 H new ATOM 1598 N ASP A 105 -11.185 10.233 -11.143 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.075 11.197 -10.053 1.00 0.00 C ATOM 1600 C ASP A 105 -11.092 10.549 -8.684 1.00 0.00 C ATOM 1601 O ASP A 105 -10.607 11.148 -7.725 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.235 12.196 -10.137 1.00 0.00 C ATOM 1603 CG ASP A 105 -11.747 13.579 -10.530 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -11.139 13.712 -11.620 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -11.950 14.534 -9.755 1.00 0.00 O ATOM 0 H ASP A 105 -11.949 10.451 -11.783 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.113 11.696 -10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.967 11.846 -10.865 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.743 12.248 -9.174 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.641 9.342 -8.617 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.700 8.526 -7.426 1.00 0.00 C ATOM 1612 C ASP A 106 -10.279 8.196 -6.961 1.00 0.00 C ATOM 1613 O ASP A 106 -9.642 7.254 -7.441 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.529 7.275 -7.735 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.467 6.912 -6.587 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.999 6.855 -5.434 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.656 6.619 -6.860 1.00 0.00 O ATOM 0 H ASP A 106 -12.072 8.894 -9.426 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.185 9.056 -6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.112 7.441 -8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.861 6.438 -7.935 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.763 8.973 -6.012 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.526 8.685 -5.278 1.00 0.00 C ATOM 1624 C LYS A 107 -8.502 7.243 -4.758 1.00 0.00 C ATOM 1625 O LYS A 107 -7.418 6.660 -4.696 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.355 9.687 -4.138 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.884 11.045 -4.672 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.374 11.106 -4.918 1.00 0.00 C ATOM 1629 CE LYS A 107 -5.927 10.987 -6.378 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.126 12.227 -7.152 1.00 0.00 N ATOM 0 H LYS A 107 -10.204 9.846 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.686 8.789 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.300 9.807 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.633 9.304 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.406 11.263 -5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.162 11.824 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.999 12.048 -4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.900 10.307 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.872 10.714 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.479 10.177 -6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.804 12.081 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.135 12.477 -7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.579 12.998 -6.719 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.653 6.628 -4.445 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.694 5.216 -4.087 1.00 0.00 C ATOM 1646 C CYS A 108 -9.185 4.372 -5.263 1.00 0.00 C ATOM 1647 O CYS A 108 -8.323 3.522 -5.076 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.113 4.732 -3.755 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.171 5.574 -2.550 1.00 0.00 S ATOM 0 H CYS A 108 -10.562 7.092 -4.435 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.067 5.101 -3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.664 4.714 -4.695 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.020 3.699 -3.420 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.751 4.575 -6.460 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.486 3.796 -7.675 1.00 0.00 C ATOM 1656 C ILE A 109 -8.018 3.954 -8.048 1.00 0.00 C ATOM 1657 O ILE A 109 -7.332 2.968 -8.295 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.420 4.242 -8.819 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.867 3.812 -8.499 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.990 3.786 -10.222 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.281 2.401 -8.920 1.00 0.00 C ATOM 0 H ILE A 109 -10.434 5.317 -6.614 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.689 2.741 -7.494 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.354 5.329 -8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.017 3.902 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.544 4.520 -8.976 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.708 4.147 -10.958 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.003 4.189 -10.449 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.953 2.697 -10.255 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.319 2.227 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.177 2.298 -10.000 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.642 1.671 -8.423 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.552 5.202 -8.083 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.182 5.581 -8.300 1.00 0.00 C ATOM 1675 C TRP A 110 -5.246 4.791 -7.391 1.00 0.00 C ATOM 1676 O TRP A 110 -4.404 4.050 -7.899 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.126 7.087 -8.065 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.770 7.671 -8.108 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.973 7.708 -9.190 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.018 8.255 -7.017 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.796 8.361 -8.870 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.771 8.711 -7.533 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.284 8.452 -5.648 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.826 9.352 -6.723 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.326 9.063 -4.824 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.098 9.502 -5.352 1.00 0.00 C ATOM 0 H TRP A 110 -8.163 6.008 -7.952 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.843 5.350 -9.310 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.743 7.581 -8.816 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.570 7.306 -7.094 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.214 7.293 -10.158 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.046 8.558 -9.533 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.228 8.132 -5.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.904 9.725 -7.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.534 9.198 -3.773 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.363 9.955 -4.703 1.00 0.00 H new ATOM 1697 N THR A 111 -5.433 4.885 -6.074 1.00 0.00 N ATOM 1698 CA THR A 111 -4.570 4.212 -5.116 1.00 0.00 C ATOM 1699 C THR A 111 -4.633 2.683 -5.290 1.00 0.00 C ATOM 1700 O THR A 111 -3.599 2.022 -5.215 1.00 0.00 O ATOM 1701 CB THR A 111 -4.935 4.657 -3.692 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.045 6.061 -3.588 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.879 4.171 -2.693 1.00 0.00 C ATOM 0 H THR A 111 -6.184 5.428 -5.648 1.00 0.00 H new ATOM 0 HA THR A 111 -3.534 4.497 -5.301 1.00 0.00 H new ATOM 0 HB THR A 111 -5.904 4.215 -3.462 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.944 6.340 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.152 4.494 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.825 3.083 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.908 4.590 -2.957 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.810 2.113 -5.589 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.978 0.703 -5.963 1.00 0.00 C ATOM 1713 C LEU A 112 -5.035 0.358 -7.127 1.00 0.00 C ATOM 1714 O LEU A 112 -4.327 -0.648 -7.066 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.484 0.408 -6.226 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.853 -0.450 -7.441 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.619 -1.928 -7.156 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.318 -0.282 -7.858 1.00 0.00 C ATOM 0 H LEU A 112 -6.689 2.631 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.687 0.040 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.887 -0.080 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.998 1.364 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.210 -0.106 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.889 -2.515 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.568 -2.091 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.233 -2.237 -6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.525 -0.912 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.967 -0.574 -7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.506 0.760 -8.115 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.985 1.197 -8.164 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.130 1.004 -9.326 1.00 0.00 C ATOM 1732 C GLY A 113 -2.649 1.091 -8.956 1.00 0.00 C ATOM 1733 O GLY A 113 -1.871 0.216 -9.336 1.00 0.00 O ATOM 0 H GLY A 113 -5.550 2.044 -8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.337 0.032 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.362 1.757 -10.079 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.242 2.135 -8.224 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.863 2.307 -7.761 1.00 0.00 C ATOM 1739 C VAL A 114 -0.444 1.085 -6.920 1.00 0.00 C ATOM 1740 O VAL A 114 0.632 0.530 -7.128 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.719 3.650 -7.004 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.711 3.880 -6.495 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.066 4.852 -7.902 1.00 0.00 C ATOM 0 H VAL A 114 -2.866 2.888 -7.935 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.181 2.358 -8.610 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.413 3.579 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.762 4.834 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.988 3.076 -5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.400 3.893 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.953 5.775 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.395 4.870 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.096 4.763 -8.247 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.293 0.602 -6.012 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.999 -0.591 -5.231 1.00 0.00 C ATOM 1755 C ALA A 115 -0.924 -1.845 -6.114 1.00 0.00 C ATOM 1756 O ALA A 115 -0.127 -2.739 -5.832 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.045 -0.746 -4.131 1.00 0.00 C ATOM 0 H ALA A 115 -2.196 1.026 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.016 -0.475 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.827 -1.639 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.022 0.129 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.034 -0.839 -4.580 1.00 0.00 H new ATOM 1763 N THR A 116 -1.713 -1.924 -7.185 1.00 0.00 N ATOM 1764 CA THR A 116 -1.787 -3.094 -8.051 1.00 0.00 C ATOM 1765 C THR A 116 -0.632 -3.166 -9.061 1.00 0.00 C ATOM 1766 O THR A 116 -0.239 -4.285 -9.403 1.00 0.00 O ATOM 1767 CB THR A 116 -3.189 -3.128 -8.685 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.088 -3.566 -7.684 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.345 -4.081 -9.870 1.00 0.00 C ATOM 0 H THR A 116 -2.327 -1.164 -7.477 1.00 0.00 H new ATOM 0 HA THR A 116 -1.653 -4.002 -7.463 1.00 0.00 H new ATOM 0 HB THR A 116 -3.380 -2.124 -9.064 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.443 -2.791 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.367 -4.031 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.654 -3.793 -10.662 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.125 -5.099 -9.549 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.051 -2.048 -9.525 1.00 0.00 N ATOM 1778 CA CYS A 117 1.241 -2.120 -10.218 1.00 0.00 C ATOM 1779 C CYS A 117 2.279 -2.609 -9.204 1.00 0.00 C ATOM 1780 O CYS A 117 2.912 -3.642 -9.406 1.00 0.00 O ATOM 1781 CB CYS A 117 1.641 -0.792 -10.896 1.00 0.00 C ATOM 1782 SG CYS A 117 1.936 0.617 -9.791 1.00 0.00 S ATOM 0 H CYS A 117 -0.443 -1.110 -9.436 1.00 0.00 H new ATOM 0 HA CYS A 117 1.173 -2.824 -11.047 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.545 -0.964 -11.480 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.855 -0.517 -11.600 1.00 0.00 H new ATOM 1787 N PHE A 118 2.377 -1.913 -8.068 1.00 0.00 N ATOM 1788 CA PHE A 118 3.369 -2.119 -7.027 1.00 0.00 C ATOM 1789 C PHE A 118 3.406 -3.561 -6.534 1.00 0.00 C ATOM 1790 O PHE A 118 4.497 -4.112 -6.428 1.00 0.00 O ATOM 1791 CB PHE A 118 3.078 -1.112 -5.916 1.00 0.00 C ATOM 1792 CG PHE A 118 3.922 -1.203 -4.668 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.157 -0.540 -4.629 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.444 -1.856 -3.516 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.893 -0.480 -3.441 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.205 -1.830 -2.333 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.426 -1.131 -2.286 1.00 0.00 C ATOM 0 H PHE A 118 1.732 -1.155 -7.845 1.00 0.00 H new ATOM 0 HA PHE A 118 4.371 -1.948 -7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.192 -0.110 -6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.033 -1.220 -5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.543 -0.072 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.497 -2.375 -3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.823 0.068 -3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.850 -2.350 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.999 -1.095 -1.371 1.00 0.00 H new ATOM 1807 N LYS A 119 2.246 -4.192 -6.298 1.00 0.00 N ATOM 1808 CA LYS A 119 2.118 -5.617 -5.982 1.00 0.00 C ATOM 1809 C LYS A 119 3.024 -6.429 -6.892 1.00 0.00 C ATOM 1810 O LYS A 119 3.905 -7.122 -6.396 1.00 0.00 O ATOM 1811 CB LYS A 119 0.652 -6.075 -6.141 1.00 0.00 C ATOM 1812 CG LYS A 119 0.497 -7.608 -6.017 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.934 -8.086 -6.285 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.925 -9.340 -7.177 1.00 0.00 C ATOM 1815 NZ LYS A 119 -2.244 -9.589 -7.797 1.00 0.00 N ATOM 0 H LYS A 119 1.348 -3.709 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 119 2.418 -5.777 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.038 -5.588 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.276 -5.752 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.175 -8.095 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.797 -7.919 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.433 -8.307 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.504 -7.293 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.174 -9.224 -7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.635 -10.206 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.620 -10.498 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.900 -8.825 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.141 -9.620 -8.831 1.00 0.00 H new ATOM 1829 N ALA A 120 2.804 -6.361 -8.204 1.00 0.00 N ATOM 1830 CA ALA A 120 3.476 -7.233 -9.148 1.00 0.00 C ATOM 1831 C ALA A 120 4.995 -7.090 -9.062 1.00 0.00 C ATOM 1832 O ALA A 120 5.709 -8.074 -9.249 1.00 0.00 O ATOM 1833 CB ALA A 120 2.977 -6.918 -10.550 1.00 0.00 C ATOM 0 H ALA A 120 2.157 -5.701 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 120 3.243 -8.269 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.476 -7.568 -11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.901 -7.082 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.196 -5.877 -10.789 1.00 0.00 H new ATOM 1839 N GLU A 121 5.484 -5.893 -8.732 1.00 0.00 N ATOM 1840 CA GLU A 121 6.879 -5.620 -8.461 1.00 0.00 C ATOM 1841 C GLU A 121 7.343 -6.330 -7.190 1.00 0.00 C ATOM 1842 O GLU A 121 8.377 -6.976 -7.236 1.00 0.00 O ATOM 1843 CB GLU A 121 7.153 -4.114 -8.369 1.00 0.00 C ATOM 1844 CG GLU A 121 6.461 -3.290 -9.462 1.00 0.00 C ATOM 1845 CD GLU A 121 6.940 -3.596 -10.882 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.155 -3.533 -11.168 1.00 0.00 O ATOM 1847 OE2 GLU A 121 6.095 -3.887 -11.761 1.00 0.00 O ATOM 0 H GLU A 121 4.893 -5.066 -8.646 1.00 0.00 H new ATOM 0 HA GLU A 121 7.453 -6.012 -9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.826 -3.754 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.228 -3.946 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.387 -3.467 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.621 -2.231 -9.258 1.00 0.00 H new ATOM 1854 N ILE A 122 6.609 -6.277 -6.072 1.00 0.00 N ATOM 1855 CA ILE A 122 6.966 -7.037 -4.862 1.00 0.00 C ATOM 1856 C ILE A 122 7.085 -8.533 -5.193 1.00 0.00 C ATOM 1857 O ILE A 122 8.040 -9.183 -4.762 1.00 0.00 O ATOM 1858 CB ILE A 122 5.958 -6.795 -3.713 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.630 -5.312 -3.451 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.412 -7.420 -2.380 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.848 -4.381 -3.365 1.00 0.00 C ATOM 0 H ILE A 122 5.763 -5.716 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 122 7.935 -6.680 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 122 5.055 -7.288 -4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.975 -4.955 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.070 -5.239 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.666 -7.218 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.524 -8.497 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.367 -6.987 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.513 -3.360 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.497 -4.705 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.400 -4.416 -4.304 1.00 0.00 H new ATOM 1873 N HIS A 123 6.149 -9.062 -5.985 1.00 0.00 N ATOM 1874 CA HIS A 123 6.181 -10.443 -6.452 1.00 0.00 C ATOM 1875 C HIS A 123 7.432 -10.682 -7.319 1.00 0.00 C ATOM 1876 O HIS A 123 8.126 -11.686 -7.146 1.00 0.00 O ATOM 1877 CB HIS A 123 4.900 -10.773 -7.240 1.00 0.00 C ATOM 1878 CG HIS A 123 3.610 -10.899 -6.458 1.00 0.00 C ATOM 1879 ND1 HIS A 123 2.725 -11.950 -6.547 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.055 -9.989 -5.601 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.673 -11.680 -5.758 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.816 -10.479 -5.184 1.00 0.00 N ATOM 0 H HIS A 123 5.342 -8.536 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 123 6.229 -11.105 -5.587 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.761 -9.999 -7.995 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.064 -11.711 -7.771 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.499 -9.052 -5.299 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.830 -12.339 -5.608 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.152 -10.014 -4.565 1.00 0.00 H new ATOM 1890 N LYS A 124 7.792 -9.755 -8.226 1.00 0.00 N ATOM 1891 CA LYS A 124 8.974 -9.829 -9.075 1.00 0.00 C ATOM 1892 C LYS A 124 10.201 -9.922 -8.195 1.00 0.00 C ATOM 1893 O LYS A 124 11.081 -10.746 -8.434 1.00 0.00 O ATOM 1894 CB LYS A 124 8.973 -8.655 -10.067 1.00 0.00 C ATOM 1895 CG LYS A 124 10.102 -7.672 -9.920 1.00 0.00 C ATOM 1896 CD LYS A 124 9.998 -6.410 -10.781 1.00 0.00 C ATOM 1897 CE LYS A 124 9.940 -6.732 -12.275 1.00 0.00 C ATOM 1898 NZ LYS A 124 10.511 -5.640 -13.083 1.00 0.00 N ATOM 0 H LYS A 124 7.244 -8.910 -8.386 1.00 0.00 H new ATOM 0 HA LYS A 124 8.975 -10.727 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.998 -9.059 -11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.031 -8.116 -9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 124 10.165 -7.372 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.036 -8.180 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.106 -5.851 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.855 -5.766 -10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.485 -7.655 -12.471 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.905 -6.904 -12.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.457 -5.889 -14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.975 -4.765 -12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.505 -5.494 -12.816 1.00 0.00 H new ATOM 1912 N LEU A 125 10.211 -9.079 -7.171 1.00 0.00 N ATOM 1913 CA LEU A 125 11.316 -8.900 -6.269 1.00 0.00 C ATOM 1914 C LEU A 125 11.483 -10.132 -5.371 1.00 0.00 C ATOM 1915 O LEU A 125 12.513 -10.251 -4.711 1.00 0.00 O ATOM 1916 CB LEU A 125 11.115 -7.615 -5.437 1.00 0.00 C ATOM 1917 CG LEU A 125 11.303 -6.294 -6.214 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.735 -5.085 -5.466 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.780 -6.038 -6.489 1.00 0.00 C ATOM 0 H LEU A 125 9.414 -8.483 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 125 12.234 -8.789 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.111 -7.629 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.814 -7.629 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 125 10.754 -6.412 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.894 -4.183 -6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.667 -5.227 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.239 -4.982 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.891 -5.103 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.320 -5.971 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.187 -6.857 -7.082 1.00 0.00 H new ATOM 1931 N ASN A 126 10.514 -11.061 -5.370 1.00 0.00 N ATOM 1932 CA ASN A 126 10.430 -12.268 -4.548 1.00 0.00 C ATOM 1933 C ASN A 126 10.169 -11.937 -3.076 1.00 0.00 C ATOM 1934 O ASN A 126 10.599 -12.651 -2.170 1.00 0.00 O ATOM 1935 CB ASN A 126 11.654 -13.171 -4.763 1.00 0.00 C ATOM 1936 CG ASN A 126 11.492 -14.544 -4.125 1.00 0.00 C ATOM 1937 OD1 ASN A 126 10.424 -15.152 -4.164 1.00 0.00 O ATOM 1938 ND2 ASN A 126 12.550 -15.080 -3.549 1.00 0.00 N ATOM 0 H ASN A 126 9.710 -10.977 -5.993 1.00 0.00 H new ATOM 0 HA ASN A 126 9.564 -12.842 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.829 -13.290 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.537 -12.684 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.487 -16.008 -3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 126 13.431 -14.567 -3.522 1.00 0.00 H new ATOM 1945 N TRP A 127 9.494 -10.822 -2.807 1.00 0.00 N ATOM 1946 CA TRP A 127 9.277 -10.289 -1.463 1.00 0.00 C ATOM 1947 C TRP A 127 7.928 -10.755 -0.901 1.00 0.00 C ATOM 1948 O TRP A 127 7.233 -10.014 -0.203 1.00 0.00 O ATOM 1949 CB TRP A 127 9.515 -8.783 -1.498 1.00 0.00 C ATOM 1950 CG TRP A 127 10.913 -8.326 -1.790 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.004 -9.091 -2.025 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.371 -6.956 -1.923 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.094 -8.287 -2.293 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.758 -6.952 -2.246 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.733 -5.712 -1.789 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.463 -5.755 -2.447 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.439 -4.507 -1.916 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.798 -4.530 -2.274 1.00 0.00 C ATOM 0 H TRP A 127 9.071 -10.248 -3.537 1.00 0.00 H new ATOM 0 HA TRP A 127 9.994 -10.687 -0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 127 8.853 -8.352 -2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.217 -8.369 -0.535 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.020 -10.171 -2.006 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.029 -8.637 -2.500 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.673 -5.683 -1.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.505 -5.776 -2.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.941 -3.565 -1.739 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.333 -3.603 -2.417 1.00 0.00 H new ATOM 1969 N ALA A 128 7.636 -12.036 -1.129 1.00 0.00 N ATOM 1970 CA ALA A 128 6.363 -12.701 -1.368 1.00 0.00 C ATOM 1971 C ALA A 128 6.281 -12.809 -2.879 1.00 0.00 C ATOM 1972 O ALA A 128 7.236 -13.424 -3.403 1.00 0.00 O ATOM 1973 CB ALA A 128 5.157 -11.999 -0.743 1.00 0.00 C ATOM 0 H ALA A 128 8.393 -12.719 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 128 6.327 -13.675 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.251 -12.561 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.288 -11.943 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.071 -10.992 -1.151 1.00 0.00 H new