USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=31 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= -0.389 K(o=-2,f=-4.9) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -2.04! K(o=-2!,f=-3.6) USER MOD Set 1.3: A 99 LYS NZ :NH3+ -168:sc= 0.383 (180deg=0) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.607 X(o=0.54,f=0.97) USER MOD Set 2.2: A 41 TYR OH : rot 144:sc= 1.14 USER MOD Set 3.1: A 20 LYS NZ :NH3+ -140:sc= 0.677 (180deg=1.21) USER MOD Set 3.2: A 30 ASN : amide:sc= -0.229 X(o=0.45,f=0.12!) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.223 K(o=0.11,f=-0.41) USER MOD Set 4.2: A 11 ASN : amide:sc= 0.496 X(o=0.11,f=-0.1) USER MOD Set 4.3: A 80 HIS : no HE2:sc= -0.158 K(o=0.11,f=-8.9!) USER MOD Set 5.1: A 5 MET CE :methyl 157:sc= -0.65 (180deg=-1.65) USER MOD Set 5.2: A 9 SER OG : rot 180:sc= -0.148 USER MOD Single : A 2 GLN : amide:sc= 0.506 K(o=0.51,f=-0.037) USER MOD Single : A 6 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00563) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 144:sc= 1.31 (180deg=0.931) USER MOD Single : A 23 MET CE :methyl -176:sc= -0.357 (180deg=-0.398) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= 1.05 (180deg=-0.0429) USER MOD Single : A 45 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.64) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -178:sc= -0.127 (180deg=-0.152) USER MOD Single : A 56 SER OG : rot 83:sc= 1.19 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.089 USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= 0.611 (180deg=-0.222) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 61 MET CE :methyl -126:sc=-0.00369 (180deg=-0.495) USER MOD Single : A 69 HIS : no HD1:sc= 0.29 K(o=0.29,f=-3.3!) USER MOD Single : A 72 ASN : amide:sc= 0.657 K(o=0.66,f=-0.38) USER MOD Single : A 74 MET CE :methyl -107:sc= -0.352 (180deg=-2.05) USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -0.0302 (180deg=-0.31) USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.041) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 86 MET CE :methyl 180:sc= -0.617 (180deg=-0.617) USER MOD Single : A 88 GLN : amide:sc= 0.928 K(o=0.93,f=-0.03) USER MOD Single : A 89 GLN : amide:sc= -0.0223 K(o=-0.022,f=-3.4!) 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= -0.693 K(o=-0.69,f=-0.16) USER MOD Single : A 107 LYS NZ :NH3+ -169:sc=-0.00505 (180deg=-0.0825) USER MOD Single : A 111 THR OG1 : rot 3:sc= 0.637 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.00193 USER MOD Single : A 119 LYS NZ :NH3+ 170:sc= -0.13 (180deg=-0.189) USER MOD Single : A 123 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.43) USER MOD Single : A 124 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00528) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0.097) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 11.958 -10.567 2.760 1.00 0.00 N ATOM 13 CA GLN A 2 10.603 -10.817 3.246 1.00 0.00 C ATOM 14 C GLN A 2 10.480 -10.586 4.750 1.00 0.00 C ATOM 15 O GLN A 2 9.416 -10.191 5.210 1.00 0.00 O ATOM 16 CB GLN A 2 10.164 -12.253 2.900 1.00 0.00 C ATOM 17 CG GLN A 2 9.853 -12.448 1.408 1.00 0.00 C ATOM 18 CD GLN A 2 10.426 -13.755 0.866 1.00 0.00 C ATOM 19 OE1 GLN A 2 11.636 -13.875 0.689 1.00 0.00 O ATOM 20 NE2 GLN A 2 9.608 -14.761 0.617 1.00 0.00 N ATOM 0 HA GLN A 2 9.946 -10.105 2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.951 -12.947 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.280 -12.507 3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.773 -12.437 1.259 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.261 -11.611 0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.605 -14.652 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.979 -15.647 0.275 1.00 0.00 H new ATOM 29 N GLU A 3 11.566 -10.765 5.505 1.00 0.00 N ATOM 30 CA GLU A 3 11.623 -10.500 6.934 1.00 0.00 C ATOM 31 C GLU A 3 11.015 -9.129 7.234 1.00 0.00 C ATOM 32 O GLU A 3 9.956 -9.022 7.849 1.00 0.00 O ATOM 33 CB GLU A 3 13.089 -10.618 7.381 1.00 0.00 C ATOM 34 CG GLU A 3 13.249 -10.791 8.896 1.00 0.00 C ATOM 35 CD GLU A 3 14.510 -11.592 9.220 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.449 -12.835 9.090 1.00 0.00 O ATOM 37 OE2 GLU A 3 15.546 -10.995 9.595 1.00 0.00 O ATOM 0 H GLU A 3 12.449 -11.107 5.125 1.00 0.00 H new ATOM 0 HA GLU A 3 11.035 -11.225 7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.549 -11.467 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.631 -9.727 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.301 -9.813 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.375 -11.299 9.303 1.00 0.00 H new ATOM 44 N VAL A 4 11.652 -8.082 6.719 1.00 0.00 N ATOM 45 CA VAL A 4 11.253 -6.710 6.957 1.00 0.00 C ATOM 46 C VAL A 4 10.152 -6.255 6.013 1.00 0.00 C ATOM 47 O VAL A 4 9.282 -5.488 6.406 1.00 0.00 O ATOM 48 CB VAL A 4 12.506 -5.841 6.911 1.00 0.00 C ATOM 49 CG1 VAL A 4 13.211 -5.760 5.565 1.00 0.00 C ATOM 50 CG2 VAL A 4 12.207 -4.433 7.417 1.00 0.00 C ATOM 0 H VAL A 4 12.471 -8.170 6.117 1.00 0.00 H new ATOM 0 HA VAL A 4 10.802 -6.615 7.945 1.00 0.00 H new ATOM 0 HB VAL A 4 13.205 -6.354 7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.086 -5.116 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.523 -6.758 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.529 -5.348 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.115 -3.831 7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.440 -3.977 6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.852 -4.484 8.446 1.00 0.00 H new ATOM 60 N MET A 5 10.174 -6.713 4.769 1.00 0.00 N ATOM 61 CA MET A 5 9.200 -6.273 3.773 1.00 0.00 C ATOM 62 C MET A 5 7.798 -6.809 4.099 1.00 0.00 C ATOM 63 O MET A 5 6.832 -6.052 4.035 1.00 0.00 O ATOM 64 CB MET A 5 9.680 -6.629 2.359 1.00 0.00 C ATOM 65 CG MET A 5 9.362 -5.568 1.311 1.00 0.00 C ATOM 66 SD MET A 5 7.683 -5.575 0.633 1.00 0.00 S ATOM 67 CE MET A 5 7.047 -4.071 1.403 1.00 0.00 C ATOM 0 H MET A 5 10.855 -7.389 4.423 1.00 0.00 H new ATOM 0 HA MET A 5 9.118 -5.187 3.806 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.758 -6.791 2.382 1.00 0.00 H new ATOM 0 HB3 MET A 5 9.223 -7.571 2.058 1.00 0.00 H new ATOM 0 HG2 MET A 5 9.547 -4.588 1.751 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.063 -5.684 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 5 6.211 -3.688 0.817 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.709 -4.295 2.415 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.837 -3.321 1.443 1.00 0.00 H new ATOM 77 N LYS A 6 7.648 -8.070 4.526 1.00 0.00 N ATOM 78 CA LYS A 6 6.329 -8.618 4.858 1.00 0.00 C ATOM 79 C LYS A 6 5.772 -7.918 6.094 1.00 0.00 C ATOM 80 O LYS A 6 4.586 -7.591 6.088 1.00 0.00 O ATOM 81 CB LYS A 6 6.391 -10.152 5.015 1.00 0.00 C ATOM 82 CG LYS A 6 5.048 -10.850 4.750 1.00 0.00 C ATOM 83 CD LYS A 6 4.305 -11.201 6.044 1.00 0.00 C ATOM 84 CE LYS A 6 2.928 -11.807 5.754 1.00 0.00 C ATOM 85 NZ LYS A 6 2.985 -13.113 5.060 1.00 0.00 N ATOM 0 H LYS A 6 8.420 -8.725 4.649 1.00 0.00 H new ATOM 0 HA LYS A 6 5.640 -8.424 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.139 -10.549 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.724 -10.393 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.420 -10.203 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.222 -11.760 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.899 -11.906 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.188 -10.304 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.390 -11.929 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.354 -11.108 5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.020 -13.478 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.441 -12.994 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.534 -13.786 5.632 1.00 0.00 H new ATOM 99 N ASN A 7 6.627 -7.648 7.088 1.00 0.00 N ATOM 100 CA ASN A 7 6.377 -6.808 8.264 1.00 0.00 C ATOM 101 C ASN A 7 5.944 -5.414 7.859 1.00 0.00 C ATOM 102 O ASN A 7 4.949 -4.913 8.369 1.00 0.00 O ATOM 103 CB ASN A 7 7.659 -6.743 9.105 1.00 0.00 C ATOM 104 CG ASN A 7 7.614 -5.798 10.295 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.584 -5.276 10.707 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.766 -5.526 10.883 1.00 0.00 N ATOM 0 H ASN A 7 7.571 -8.035 7.092 1.00 0.00 H new ATOM 0 HA ASN A 7 5.568 -7.246 8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.886 -7.745 9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.483 -6.444 8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.795 -4.885 11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.626 -5.958 10.544 1.00 0.00 H new ATOM 113 N LEU A 8 6.657 -4.754 6.955 1.00 0.00 N ATOM 114 CA LEU A 8 6.292 -3.418 6.518 1.00 0.00 C ATOM 115 C LEU A 8 4.887 -3.469 5.907 1.00 0.00 C ATOM 116 O LEU A 8 3.969 -2.804 6.386 1.00 0.00 O ATOM 117 CB LEU A 8 7.318 -2.902 5.503 1.00 0.00 C ATOM 118 CG LEU A 8 8.566 -2.309 6.168 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.716 -2.187 5.164 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.247 -0.927 6.731 1.00 0.00 C ATOM 0 H LEU A 8 7.495 -5.127 6.510 1.00 0.00 H new ATOM 0 HA LEU A 8 6.287 -2.731 7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.616 -3.720 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.851 -2.143 4.875 1.00 0.00 H new ATOM 0 HG LEU A 8 8.870 -2.978 6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.589 -1.764 5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.964 -3.174 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.415 -1.536 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.138 -0.511 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.924 -0.271 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.451 -1.010 7.471 1.00 0.00 H new ATOM 132 N SER A 9 4.688 -4.355 4.929 1.00 0.00 N ATOM 133 CA SER A 9 3.401 -4.626 4.297 1.00 0.00 C ATOM 134 C SER A 9 2.327 -5.110 5.282 1.00 0.00 C ATOM 135 O SER A 9 1.157 -5.195 4.910 1.00 0.00 O ATOM 136 CB SER A 9 3.593 -5.693 3.210 1.00 0.00 C ATOM 137 OG SER A 9 4.380 -5.213 2.146 1.00 0.00 O ATOM 0 H SER A 9 5.445 -4.921 4.545 1.00 0.00 H new ATOM 0 HA SER A 9 3.049 -3.683 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.065 -6.574 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.620 -6.007 2.831 1.00 0.00 H new ATOM 0 HG SER A 9 4.484 -5.917 1.472 1.00 0.00 H new ATOM 143 N LEU A 10 2.690 -5.516 6.497 1.00 0.00 N ATOM 144 CA LEU A 10 1.781 -5.987 7.528 1.00 0.00 C ATOM 145 C LEU A 10 1.307 -4.770 8.298 1.00 0.00 C ATOM 146 O LEU A 10 0.134 -4.407 8.273 1.00 0.00 O ATOM 147 CB LEU A 10 2.518 -6.979 8.447 1.00 0.00 C ATOM 148 CG LEU A 10 1.736 -7.408 9.695 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.358 -8.887 9.604 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.580 -7.127 10.945 1.00 0.00 C ATOM 0 H LEU A 10 3.665 -5.524 6.797 1.00 0.00 H new ATOM 0 HA LEU A 10 0.925 -6.509 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.769 -7.869 7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.459 -6.529 8.763 1.00 0.00 H new ATOM 0 HG LEU A 10 0.812 -6.834 9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.804 -9.176 10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.738 -9.050 8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.263 -9.490 9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.027 -7.431 11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.512 -7.689 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.802 -6.061 11.002 1.00 0.00 H new ATOM 162 N ASN A 11 2.232 -4.130 9.010 1.00 0.00 N ATOM 163 CA ASN A 11 1.887 -3.097 9.976 1.00 0.00 C ATOM 164 C ASN A 11 1.569 -1.750 9.342 1.00 0.00 C ATOM 165 O ASN A 11 1.105 -0.841 10.027 1.00 0.00 O ATOM 166 CB ASN A 11 2.861 -3.019 11.127 1.00 0.00 C ATOM 167 CG ASN A 11 4.025 -2.185 10.826 1.00 0.00 C ATOM 168 OD1 ASN A 11 4.164 -1.094 11.360 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.904 -2.784 10.056 1.00 0.00 N ATOM 0 H ASN A 11 3.233 -4.313 8.933 1.00 0.00 H new ATOM 0 HA ASN A 11 0.944 -3.415 10.421 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.350 -2.620 12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.196 -4.024 11.383 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.798 -2.335 9.858 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.693 -3.698 9.656 1.00 0.00 H new ATOM 176 N PHE A 12 1.728 -1.659 8.025 1.00 0.00 N ATOM 177 CA PHE A 12 1.002 -0.734 7.181 1.00 0.00 C ATOM 178 C PHE A 12 -0.482 -0.710 7.589 1.00 0.00 C ATOM 179 O PHE A 12 -1.008 0.337 7.954 1.00 0.00 O ATOM 180 CB PHE A 12 1.227 -1.177 5.728 1.00 0.00 C ATOM 181 CG PHE A 12 0.280 -0.558 4.732 1.00 0.00 C ATOM 182 CD1 PHE A 12 0.328 0.824 4.486 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.657 -1.361 4.060 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.560 1.407 3.571 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.543 -0.781 3.141 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.497 0.603 2.905 1.00 0.00 C ATOM 0 H PHE A 12 2.384 -2.245 7.508 1.00 0.00 H new ATOM 0 HA PHE A 12 1.357 0.291 7.291 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.249 -0.930 5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.134 -2.262 5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.050 1.439 5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.695 -2.423 4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.523 2.469 3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.259 -1.396 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.188 1.051 2.206 1.00 0.00 H new ATOM 196 N GLY A 13 -1.150 -1.866 7.625 1.00 0.00 N ATOM 197 CA GLY A 13 -2.563 -1.963 7.961 1.00 0.00 C ATOM 198 C GLY A 13 -2.822 -2.155 9.449 1.00 0.00 C ATOM 199 O GLY A 13 -3.642 -3.005 9.806 1.00 0.00 O ATOM 0 H GLY A 13 -0.716 -2.766 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.071 -1.059 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.002 -2.797 7.413 1.00 0.00 H new ATOM 203 N LYS A 14 -2.136 -1.436 10.345 1.00 0.00 N ATOM 204 CA LYS A 14 -2.501 -1.474 11.768 1.00 0.00 C ATOM 205 C LYS A 14 -3.849 -0.782 11.962 1.00 0.00 C ATOM 206 O LYS A 14 -4.776 -1.405 12.474 1.00 0.00 O ATOM 207 CB LYS A 14 -1.418 -0.847 12.655 1.00 0.00 C ATOM 208 CG LYS A 14 -0.152 -1.697 12.782 1.00 0.00 C ATOM 209 CD LYS A 14 -0.093 -2.540 14.054 1.00 0.00 C ATOM 210 CE LYS A 14 -0.738 -3.931 13.937 1.00 0.00 C ATOM 211 NZ LYS A 14 -1.957 -4.092 14.761 1.00 0.00 N ATOM 0 H LYS A 14 -1.344 -0.834 10.120 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.586 -2.516 12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.150 0.128 12.249 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.830 -0.676 13.649 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.082 -2.357 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.718 -1.041 12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.951 -2.662 14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.585 -1.993 14.858 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.988 -4.119 12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.009 -4.686 14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.338 -5.051 14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.721 -3.943 15.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.670 -3.394 14.466 1.00 0.00 H new ATOM 225 N ALA A 15 -3.994 0.461 11.499 1.00 0.00 N ATOM 226 CA ALA A 15 -5.214 1.259 11.614 1.00 0.00 C ATOM 227 C ALA A 15 -6.310 0.853 10.604 1.00 0.00 C ATOM 228 O ALA A 15 -7.113 1.704 10.211 1.00 0.00 O ATOM 229 CB ALA A 15 -4.846 2.741 11.461 1.00 0.00 C ATOM 0 H ALA A 15 -3.241 0.955 11.019 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.645 1.073 12.598 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.746 3.350 11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.143 3.024 12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.387 2.903 10.486 1.00 0.00 H new ATOM 235 N LEU A 16 -6.325 -0.398 10.123 1.00 0.00 N ATOM 236 CA LEU A 16 -7.236 -0.877 9.081 1.00 0.00 C ATOM 237 C LEU A 16 -8.689 -0.805 9.531 1.00 0.00 C ATOM 238 O LEU A 16 -9.505 -0.214 8.839 1.00 0.00 O ATOM 239 CB LEU A 16 -6.895 -2.330 8.693 1.00 0.00 C ATOM 240 CG LEU A 16 -7.796 -2.852 7.550 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.238 -2.450 6.188 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.973 -4.365 7.616 1.00 0.00 C ATOM 0 H LEU A 16 -5.687 -1.120 10.458 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.109 -0.226 8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.851 -2.388 8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.007 -2.974 9.565 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.775 -2.392 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.890 -2.829 5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.185 -1.363 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.240 -2.870 6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.612 -4.693 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.000 -4.849 7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.433 -4.636 8.566 1.00 0.00 H new ATOM 254 N ASP A 17 -9.039 -1.434 10.651 1.00 0.00 N ATOM 255 CA ASP A 17 -10.413 -1.433 11.162 1.00 0.00 C ATOM 256 C ASP A 17 -10.823 0.005 11.475 1.00 0.00 C ATOM 257 O ASP A 17 -11.988 0.359 11.340 1.00 0.00 O ATOM 258 CB ASP A 17 -10.523 -2.300 12.425 1.00 0.00 C ATOM 259 CG ASP A 17 -11.729 -3.222 12.334 1.00 0.00 C ATOM 260 OD1 ASP A 17 -11.590 -4.287 11.672 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.780 -2.859 12.896 1.00 0.00 O ATOM 0 H ASP A 17 -8.383 -1.958 11.230 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.078 -1.852 10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.615 -2.890 12.548 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.611 -1.662 13.305 1.00 0.00 H new ATOM 266 N GLU A 18 -9.864 0.860 11.839 1.00 0.00 N ATOM 267 CA GLU A 18 -10.158 2.258 12.123 1.00 0.00 C ATOM 268 C GLU A 18 -10.548 2.917 10.794 1.00 0.00 C ATOM 269 O GLU A 18 -11.622 3.489 10.688 1.00 0.00 O ATOM 270 CB GLU A 18 -9.018 2.977 12.864 1.00 0.00 C ATOM 271 CG GLU A 18 -8.538 2.126 14.055 1.00 0.00 C ATOM 272 CD GLU A 18 -8.636 2.737 15.452 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.702 2.578 16.090 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.580 3.109 16.021 1.00 0.00 O ATOM 0 H GLU A 18 -8.882 0.605 11.942 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.990 2.334 12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.189 3.160 12.181 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.361 3.950 13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.109 1.197 14.055 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.496 1.860 13.878 1.00 0.00 H new ATOM 281 N CYS A 19 -9.720 2.777 9.743 1.00 0.00 N ATOM 282 CA CYS A 19 -10.008 3.283 8.396 1.00 0.00 C ATOM 283 C CYS A 19 -11.345 2.748 7.870 1.00 0.00 C ATOM 284 O CYS A 19 -12.073 3.470 7.190 1.00 0.00 O ATOM 285 CB CYS A 19 -8.925 2.853 7.385 1.00 0.00 C ATOM 286 SG CYS A 19 -7.394 3.784 7.383 1.00 0.00 S ATOM 0 H CYS A 19 -8.820 2.302 9.810 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.037 4.369 8.486 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.684 1.807 7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.355 2.907 6.385 1.00 0.00 H new ATOM 291 N LYS A 20 -11.653 1.478 8.156 1.00 0.00 N ATOM 292 CA LYS A 20 -12.893 0.833 7.807 1.00 0.00 C ATOM 293 C LYS A 20 -14.045 1.600 8.437 1.00 0.00 C ATOM 294 O LYS A 20 -14.839 2.164 7.694 1.00 0.00 O ATOM 295 CB LYS A 20 -12.837 -0.640 8.235 1.00 0.00 C ATOM 296 CG LYS A 20 -12.019 -1.560 7.309 1.00 0.00 C ATOM 297 CD LYS A 20 -11.663 -2.939 7.889 1.00 0.00 C ATOM 298 CE LYS A 20 -12.935 -3.604 8.410 1.00 0.00 C ATOM 299 NZ LYS A 20 -12.704 -4.841 9.190 1.00 0.00 N ATOM 0 H LYS A 20 -11.012 0.861 8.655 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.054 0.842 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.416 -0.695 9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.856 -1.024 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.579 -1.708 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.094 -1.048 7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.200 -3.561 7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.937 -2.832 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.474 -2.891 9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.581 -3.838 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.429 -5.546 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.762 -5.221 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.759 -4.626 10.206 1.00 0.00 H new ATOM 313 N LYS A 21 -14.134 1.677 9.769 1.00 0.00 N ATOM 314 CA LYS A 21 -15.258 2.368 10.403 1.00 0.00 C ATOM 315 C LYS A 21 -15.279 3.866 10.090 1.00 0.00 C ATOM 316 O LYS A 21 -16.362 4.450 10.095 1.00 0.00 O ATOM 317 CB LYS A 21 -15.284 2.122 11.920 1.00 0.00 C ATOM 318 CG LYS A 21 -15.842 0.734 12.296 1.00 0.00 C ATOM 319 CD LYS A 21 -14.809 -0.285 12.782 1.00 0.00 C ATOM 320 CE LYS A 21 -14.079 0.157 14.052 1.00 0.00 C ATOM 321 NZ LYS A 21 -13.530 -1.001 14.784 1.00 0.00 N ATOM 0 H LYS A 21 -13.455 1.278 10.417 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.165 1.942 9.973 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.273 2.221 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.890 2.892 12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.593 0.863 13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.353 0.320 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.307 -1.237 12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.078 -0.457 11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.272 0.841 13.791 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.766 0.706 14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.618 -0.741 15.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.194 -1.286 15.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.390 -1.793 14.125 1.00 0.00 H new ATOM 335 N GLU A 22 -14.135 4.500 9.830 1.00 0.00 N ATOM 336 CA GLU A 22 -14.039 5.897 9.430 1.00 0.00 C ATOM 337 C GLU A 22 -14.786 6.161 8.125 1.00 0.00 C ATOM 338 O GLU A 22 -15.675 7.009 8.104 1.00 0.00 O ATOM 339 CB GLU A 22 -12.551 6.250 9.300 1.00 0.00 C ATOM 340 CG GLU A 22 -11.953 6.538 10.678 1.00 0.00 C ATOM 341 CD GLU A 22 -12.203 7.994 11.069 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.525 8.898 10.521 1.00 0.00 O ATOM 343 OE2 GLU A 22 -13.134 8.233 11.873 1.00 0.00 O ATOM 0 H GLU A 22 -13.227 4.040 9.895 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.509 6.528 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.015 5.427 8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.431 7.120 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.395 5.874 11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.882 6.336 10.667 1.00 0.00 H new ATOM 350 N MET A 23 -14.419 5.466 7.042 1.00 0.00 N ATOM 351 CA MET A 23 -14.903 5.774 5.695 1.00 0.00 C ATOM 352 C MET A 23 -16.012 4.814 5.243 1.00 0.00 C ATOM 353 O MET A 23 -16.519 4.939 4.127 1.00 0.00 O ATOM 354 CB MET A 23 -13.729 5.765 4.706 1.00 0.00 C ATOM 355 CG MET A 23 -12.519 6.596 5.164 1.00 0.00 C ATOM 356 SD MET A 23 -11.441 7.268 3.869 1.00 0.00 S ATOM 357 CE MET A 23 -11.195 5.779 2.896 1.00 0.00 C ATOM 0 H MET A 23 -13.777 4.674 7.077 1.00 0.00 H new ATOM 0 HA MET A 23 -15.344 6.770 5.717 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.410 4.735 4.546 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.074 6.145 3.744 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.888 7.429 5.763 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.911 5.975 5.822 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.493 5.984 2.088 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.794 4.990 3.533 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.148 5.457 2.476 1.00 0.00 H new ATOM 367 N THR A 24 -16.370 3.858 6.103 1.00 0.00 N ATOM 368 CA THR A 24 -17.255 2.733 5.854 1.00 0.00 C ATOM 369 C THR A 24 -16.718 1.869 4.715 1.00 0.00 C ATOM 370 O THR A 24 -17.139 1.963 3.560 1.00 0.00 O ATOM 371 CB THR A 24 -18.697 3.233 5.729 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.044 3.804 6.977 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.699 2.121 5.448 1.00 0.00 C ATOM 0 H THR A 24 -16.019 3.856 7.061 1.00 0.00 H new ATOM 0 HA THR A 24 -17.280 2.044 6.698 1.00 0.00 H new ATOM 0 HB THR A 24 -18.738 3.933 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.964 4.140 6.939 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.700 2.544 5.371 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.441 1.627 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.673 1.394 6.260 1.00 0.00 H new ATOM 381 N LEU A 25 -15.769 0.994 5.056 1.00 0.00 N ATOM 382 CA LEU A 25 -15.133 0.072 4.121 1.00 0.00 C ATOM 383 C LEU A 25 -15.501 -1.342 4.545 1.00 0.00 C ATOM 384 O LEU A 25 -15.409 -1.675 5.729 1.00 0.00 O ATOM 385 CB LEU A 25 -13.615 0.285 4.073 1.00 0.00 C ATOM 386 CG LEU A 25 -13.205 1.769 3.937 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.684 1.885 3.916 1.00 0.00 C ATOM 388 CD2 LEU A 25 -13.773 2.417 2.664 1.00 0.00 C ATOM 0 H LEU A 25 -15.417 0.907 6.009 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.489 0.253 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.170 -0.125 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.204 -0.276 3.234 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.618 2.297 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.400 2.933 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.276 1.482 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.288 1.323 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.457 3.459 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.404 1.883 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.862 2.369 2.686 1.00 0.00 H new ATOM 400 N THR A 26 -15.988 -2.128 3.592 1.00 0.00 N ATOM 401 CA THR A 26 -16.611 -3.421 3.836 1.00 0.00 C ATOM 402 C THR A 26 -15.576 -4.447 4.304 1.00 0.00 C ATOM 403 O THR A 26 -14.370 -4.241 4.160 1.00 0.00 O ATOM 404 CB THR A 26 -17.356 -3.852 2.557 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.466 -4.158 1.501 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.292 -2.743 2.059 1.00 0.00 C ATOM 0 H THR A 26 -15.959 -1.876 2.604 1.00 0.00 H new ATOM 0 HA THR A 26 -17.338 -3.349 4.645 1.00 0.00 H new ATOM 0 HB THR A 26 -17.924 -4.741 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.978 -4.428 0.710 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.803 -3.077 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.028 -2.515 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.710 -1.848 1.837 1.00 0.00 H new ATOM 414 N ASP A 27 -16.024 -5.589 4.827 1.00 0.00 N ATOM 415 CA ASP A 27 -15.118 -6.677 5.181 1.00 0.00 C ATOM 416 C ASP A 27 -14.571 -7.401 3.964 1.00 0.00 C ATOM 417 O ASP A 27 -13.627 -8.170 4.097 1.00 0.00 O ATOM 418 CB ASP A 27 -15.779 -7.665 6.135 1.00 0.00 C ATOM 419 CG ASP A 27 -16.118 -9.036 5.540 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.143 -9.153 4.832 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.340 -9.988 5.777 1.00 0.00 O ATOM 0 H ASP A 27 -17.008 -5.782 5.014 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.273 -6.215 5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.119 -7.813 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.697 -7.217 6.515 1.00 0.00 H new ATOM 426 N ALA A 28 -15.118 -7.146 2.777 1.00 0.00 N ATOM 427 CA ALA A 28 -14.627 -7.821 1.586 1.00 0.00 C ATOM 428 C ALA A 28 -13.144 -7.526 1.322 1.00 0.00 C ATOM 429 O ALA A 28 -12.418 -8.358 0.791 1.00 0.00 O ATOM 430 CB ALA A 28 -15.461 -7.418 0.363 1.00 0.00 C ATOM 0 H ALA A 28 -15.884 -6.491 2.619 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.726 -8.892 1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.082 -7.931 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.502 -7.696 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.392 -6.340 0.215 1.00 0.00 H new ATOM 436 N ILE A 29 -12.689 -6.354 1.753 1.00 0.00 N ATOM 437 CA ILE A 29 -11.303 -5.920 1.660 1.00 0.00 C ATOM 438 C ILE A 29 -10.422 -6.750 2.595 1.00 0.00 C ATOM 439 O ILE A 29 -9.258 -6.987 2.301 1.00 0.00 O ATOM 440 CB ILE A 29 -11.210 -4.395 1.925 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.165 -4.066 3.438 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.350 -3.624 1.211 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.362 -2.590 3.784 1.00 0.00 C ATOM 0 H ILE A 29 -13.295 -5.660 2.190 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.926 -6.090 0.652 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.265 -4.057 1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.935 -4.648 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.205 -4.392 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.254 -2.558 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.285 -3.792 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.314 -3.979 1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.314 -2.460 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.578 -1.998 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.335 -2.258 3.421 1.00 0.00 H new ATOM 455 N ASN A 30 -10.967 -7.239 3.714 1.00 0.00 N ATOM 456 CA ASN A 30 -10.244 -8.155 4.584 1.00 0.00 C ATOM 457 C ASN A 30 -10.026 -9.494 3.880 1.00 0.00 C ATOM 458 O ASN A 30 -9.166 -10.250 4.322 1.00 0.00 O ATOM 459 CB ASN A 30 -10.984 -8.383 5.921 1.00 0.00 C ATOM 460 CG ASN A 30 -10.377 -7.678 7.121 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.195 -7.352 7.165 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.189 -7.445 8.146 1.00 0.00 N ATOM 0 H ASN A 30 -11.909 -7.011 4.034 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.280 -7.699 4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.016 -8.052 5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.013 -9.453 6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.832 -6.989 8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.169 -7.722 8.093 1.00 0.00 H new ATOM 469 N GLU A 31 -10.760 -9.824 2.809 1.00 0.00 N ATOM 470 CA GLU A 31 -10.376 -10.947 1.969 1.00 0.00 C ATOM 471 C GLU A 31 -9.131 -10.531 1.197 1.00 0.00 C ATOM 472 O GLU A 31 -8.148 -11.255 1.228 1.00 0.00 O ATOM 473 CB GLU A 31 -11.529 -11.446 1.051 1.00 0.00 C ATOM 474 CG GLU A 31 -11.321 -11.306 -0.475 1.00 0.00 C ATOM 475 CD GLU A 31 -12.128 -12.264 -1.351 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.248 -12.649 -0.958 1.00 0.00 O ATOM 477 OE2 GLU A 31 -11.584 -12.690 -2.407 1.00 0.00 O ATOM 0 H GLU A 31 -11.605 -9.335 2.514 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.152 -11.814 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.708 -12.498 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.436 -10.904 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.569 -10.285 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.263 -11.450 -0.692 1.00 0.00 H new ATOM 484 N ASP A 32 -9.162 -9.421 0.462 1.00 0.00 N ATOM 485 CA ASP A 32 -8.139 -9.157 -0.548 1.00 0.00 C ATOM 486 C ASP A 32 -6.821 -8.723 0.072 1.00 0.00 C ATOM 487 O ASP A 32 -5.776 -9.073 -0.462 1.00 0.00 O ATOM 488 CB ASP A 32 -8.629 -8.204 -1.623 1.00 0.00 C ATOM 489 CG ASP A 32 -9.114 -6.864 -1.166 1.00 0.00 C ATOM 490 OD1 ASP A 32 -8.299 -6.015 -0.744 1.00 0.00 O ATOM 491 OD2 ASP A 32 -10.336 -6.691 -1.364 1.00 0.00 O ATOM 0 H ASP A 32 -9.876 -8.697 0.545 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.938 -10.102 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.818 -8.047 -2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.439 -8.691 -2.166 1.00 0.00 H new ATOM 496 N PHE A 33 -6.830 -8.098 1.248 1.00 0.00 N ATOM 497 CA PHE A 33 -5.634 -7.923 2.066 1.00 0.00 C ATOM 498 C PHE A 33 -5.114 -9.267 2.573 1.00 0.00 C ATOM 499 O PHE A 33 -3.896 -9.486 2.519 1.00 0.00 O ATOM 500 CB PHE A 33 -5.937 -7.017 3.270 1.00 0.00 C ATOM 501 CG PHE A 33 -6.043 -5.532 2.976 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.931 -4.815 2.492 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.246 -4.848 3.224 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.041 -3.438 2.228 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.368 -3.485 2.918 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.264 -2.776 2.428 1.00 0.00 C ATOM 0 H PHE A 33 -7.672 -7.697 1.661 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.871 -7.460 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.874 -7.346 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.156 -7.165 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.993 -5.323 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.084 -5.377 3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.183 -2.888 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.313 -2.982 3.060 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.353 -1.723 2.204 1.00 0.00 H new ATOM 516 N TYR A 34 -5.970 -10.156 3.094 1.00 0.00 N ATOM 517 CA TYR A 34 -5.555 -11.460 3.590 1.00 0.00 C ATOM 518 C TYR A 34 -4.928 -12.260 2.451 1.00 0.00 C ATOM 519 O TYR A 34 -3.823 -12.787 2.576 1.00 0.00 O ATOM 520 CB TYR A 34 -6.764 -12.206 4.165 1.00 0.00 C ATOM 521 CG TYR A 34 -6.459 -13.626 4.590 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.333 -13.905 5.384 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.292 -14.672 4.161 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.049 -15.224 5.780 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.020 -15.992 4.560 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.910 -16.271 5.386 1.00 0.00 C ATOM 527 OH TYR A 34 -5.660 -17.549 5.773 1.00 0.00 O ATOM 0 H TYR A 34 -6.972 -9.983 3.180 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.817 -11.332 4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.145 -11.654 5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.558 -12.223 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.681 -13.101 5.692 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.140 -14.463 3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.177 -15.435 6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.663 -16.796 4.233 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.353 -18.141 5.414 1.00 0.00 H new ATOM 537 N ASN A 35 -5.629 -12.304 1.326 1.00 0.00 N ATOM 538 CA ASN A 35 -5.276 -13.028 0.128 1.00 0.00 C ATOM 539 C ASN A 35 -4.206 -12.293 -0.678 1.00 0.00 C ATOM 540 O ASN A 35 -3.773 -12.841 -1.677 1.00 0.00 O ATOM 541 CB ASN A 35 -6.519 -13.231 -0.759 1.00 0.00 C ATOM 542 CG ASN A 35 -7.638 -14.061 -0.132 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.394 -15.042 0.568 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.887 -13.712 -0.392 1.00 0.00 N ATOM 0 H ASN A 35 -6.512 -11.802 1.227 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.877 -13.994 0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.919 -12.253 -1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.209 -13.711 -1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.659 -14.259 -0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.078 -12.896 -0.974 1.00 0.00 H new ATOM 551 N PHE A 36 -3.768 -11.082 -0.317 1.00 0.00 N ATOM 552 CA PHE A 36 -2.986 -10.223 -1.212 1.00 0.00 C ATOM 553 C PHE A 36 -1.770 -10.956 -1.800 1.00 0.00 C ATOM 554 O PHE A 36 -1.521 -10.864 -3.006 1.00 0.00 O ATOM 555 CB PHE A 36 -2.591 -8.932 -0.473 1.00 0.00 C ATOM 556 CG PHE A 36 -1.877 -7.866 -1.285 1.00 0.00 C ATOM 557 CD1 PHE A 36 -0.554 -8.067 -1.722 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.511 -6.634 -1.551 1.00 0.00 C ATOM 559 CE1 PHE A 36 0.125 -7.046 -2.401 1.00 0.00 C ATOM 560 CE2 PHE A 36 -1.813 -5.606 -2.214 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.481 -5.805 -2.615 1.00 0.00 C ATOM 0 H PHE A 36 -3.945 -10.671 0.600 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.607 -9.953 -2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.495 -8.490 -0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.951 -9.204 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.061 -9.009 -1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.535 -6.479 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.128 -7.220 -2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.302 -4.664 -2.414 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.071 -5.004 -3.085 1.00 0.00 H new ATOM 571 N TRP A 37 -1.027 -11.697 -0.975 1.00 0.00 N ATOM 572 CA TRP A 37 0.156 -12.450 -1.383 1.00 0.00 C ATOM 573 C TRP A 37 -0.197 -13.828 -1.996 1.00 0.00 C ATOM 574 O TRP A 37 0.484 -14.818 -1.728 1.00 0.00 O ATOM 575 CB TRP A 37 1.129 -12.502 -0.181 1.00 0.00 C ATOM 576 CG TRP A 37 1.577 -11.150 0.327 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.447 -10.663 1.582 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.202 -10.075 -0.426 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.895 -9.354 1.641 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.335 -8.923 0.406 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.628 -9.955 -1.758 1.00 0.00 C ATOM 582 CZ2 TRP A 37 2.823 -7.697 -0.088 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.140 -8.751 -2.257 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.213 -7.615 -1.437 1.00 0.00 C ATOM 0 H TRP A 37 -1.238 -11.791 0.018 1.00 0.00 H new ATOM 0 HA TRP A 37 0.664 -11.944 -2.204 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.648 -13.041 0.635 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.009 -13.077 -0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.050 -11.217 2.420 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.899 -8.783 2.486 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.559 -10.811 -2.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.896 -6.835 0.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.481 -8.697 -3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.568 -6.679 -1.841 1.00 0.00 H new ATOM 595 N LYS A 38 -1.272 -13.936 -2.791 1.00 0.00 N ATOM 596 CA LYS A 38 -1.685 -15.132 -3.515 1.00 0.00 C ATOM 597 C LYS A 38 -1.073 -15.184 -4.909 1.00 0.00 C ATOM 598 O LYS A 38 -0.556 -14.194 -5.438 1.00 0.00 O ATOM 599 CB LYS A 38 -3.211 -15.102 -3.666 1.00 0.00 C ATOM 600 CG LYS A 38 -4.035 -16.030 -2.770 1.00 0.00 C ATOM 601 CD LYS A 38 -3.624 -16.062 -1.292 1.00 0.00 C ATOM 602 CE LYS A 38 -2.846 -17.352 -1.014 1.00 0.00 C ATOM 603 NZ LYS A 38 -2.312 -17.433 0.360 1.00 0.00 N ATOM 0 H LYS A 38 -1.903 -13.150 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.349 -16.005 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.545 -14.080 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.450 -15.339 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.081 -15.730 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.970 -17.042 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.009 -15.194 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.507 -16.011 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.499 -18.206 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.020 -17.429 -1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.798 -18.329 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.664 -16.637 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.097 -17.390 1.041 1.00 0.00 H new ATOM 617 N GLU A 39 -1.250 -16.337 -5.538 1.00 0.00 N ATOM 618 CA GLU A 39 -0.581 -16.776 -6.748 1.00 0.00 C ATOM 619 C GLU A 39 -1.434 -16.552 -8.000 1.00 0.00 C ATOM 620 O GLU A 39 -1.803 -17.461 -8.748 1.00 0.00 O ATOM 621 CB GLU A 39 -0.132 -18.230 -6.515 1.00 0.00 C ATOM 622 CG GLU A 39 -1.330 -19.193 -6.394 1.00 0.00 C ATOM 623 CD GLU A 39 -1.241 -20.143 -5.194 1.00 0.00 C ATOM 624 OE1 GLU A 39 -0.422 -21.084 -5.210 1.00 0.00 O ATOM 625 OE2 GLU A 39 -2.031 -19.972 -4.233 1.00 0.00 O ATOM 0 H GLU A 39 -1.909 -17.034 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 39 0.303 -16.173 -6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.507 -18.548 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.469 -18.283 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.247 -18.609 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.404 -19.783 -7.308 1.00 0.00 H new ATOM 632 N GLY A 40 -1.747 -15.288 -8.242 1.00 0.00 N ATOM 633 CA GLY A 40 -2.634 -14.860 -9.312 1.00 0.00 C ATOM 634 C GLY A 40 -4.019 -14.665 -8.729 1.00 0.00 C ATOM 635 O GLY A 40 -4.976 -15.334 -9.121 1.00 0.00 O ATOM 0 H GLY A 40 -1.383 -14.514 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.274 -13.932 -9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.658 -15.605 -10.107 1.00 0.00 H new ATOM 639 N TYR A 41 -4.083 -13.781 -7.741 1.00 0.00 N ATOM 640 CA TYR A 41 -5.298 -13.144 -7.264 1.00 0.00 C ATOM 641 C TYR A 41 -5.519 -11.847 -8.053 1.00 0.00 C ATOM 642 O TYR A 41 -4.609 -11.372 -8.743 1.00 0.00 O ATOM 643 CB TYR A 41 -5.077 -12.888 -5.773 1.00 0.00 C ATOM 644 CG TYR A 41 -6.260 -12.407 -4.978 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.534 -11.032 -4.894 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.064 -13.341 -4.296 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.650 -10.603 -4.164 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.210 -12.913 -3.604 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.518 -11.537 -3.578 1.00 0.00 C ATOM 650 OH TYR A 41 -9.672 -11.079 -3.043 1.00 0.00 O ATOM 0 H TYR A 41 -3.253 -13.478 -7.231 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.189 -13.755 -7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.719 -13.813 -5.320 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.279 -12.153 -5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.893 -10.315 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.799 -14.388 -4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.844 -9.546 -4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.845 -13.627 -3.100 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.384 -11.736 -3.190 1.00 0.00 H new ATOM 660 N GLU A 42 -6.704 -11.242 -7.964 1.00 0.00 N ATOM 661 CA GLU A 42 -6.996 -9.924 -8.433 1.00 0.00 C ATOM 662 C GLU A 42 -7.778 -9.095 -7.410 1.00 0.00 C ATOM 663 O GLU A 42 -8.621 -9.608 -6.676 1.00 0.00 O ATOM 664 CB GLU A 42 -7.710 -10.049 -9.771 1.00 0.00 C ATOM 665 CG GLU A 42 -9.222 -10.160 -9.639 1.00 0.00 C ATOM 666 CD GLU A 42 -9.920 -10.532 -10.947 1.00 0.00 C ATOM 667 OE1 GLU A 42 -9.901 -9.702 -11.888 1.00 0.00 O ATOM 668 OE2 GLU A 42 -10.573 -11.596 -11.020 1.00 0.00 O ATOM 0 H GLU A 42 -7.513 -11.696 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.068 -9.370 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.469 -9.182 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.333 -10.927 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.459 -10.909 -8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.619 -9.210 -9.282 1.00 0.00 H new ATOM 675 N ILE A 43 -7.550 -7.787 -7.429 1.00 0.00 N ATOM 676 CA ILE A 43 -8.098 -6.769 -6.544 1.00 0.00 C ATOM 677 C ILE A 43 -8.786 -5.753 -7.453 1.00 0.00 C ATOM 678 O ILE A 43 -8.131 -5.196 -8.337 1.00 0.00 O ATOM 679 CB ILE A 43 -6.945 -6.130 -5.723 1.00 0.00 C ATOM 680 CG1 ILE A 43 -6.251 -7.177 -4.830 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.492 -4.985 -4.858 1.00 0.00 C ATOM 682 CD1 ILE A 43 -5.244 -6.643 -3.803 1.00 0.00 C ATOM 0 H ILE A 43 -6.924 -7.378 -8.123 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.811 -7.172 -5.825 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.207 -5.737 -6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.021 -7.733 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.735 -7.888 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.678 -4.541 -4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.940 -4.226 -5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.247 -5.374 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.825 -7.475 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.442 -6.115 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.748 -5.958 -3.121 1.00 0.00 H new ATOM 694 N LYS A 44 -10.090 -5.507 -7.279 1.00 0.00 N ATOM 695 CA LYS A 44 -10.841 -4.527 -8.081 1.00 0.00 C ATOM 696 C LYS A 44 -11.787 -3.658 -7.254 1.00 0.00 C ATOM 697 O LYS A 44 -12.193 -2.602 -7.736 1.00 0.00 O ATOM 698 CB LYS A 44 -11.632 -5.231 -9.184 1.00 0.00 C ATOM 699 CG LYS A 44 -10.707 -5.605 -10.349 1.00 0.00 C ATOM 700 CD LYS A 44 -11.460 -6.358 -11.436 1.00 0.00 C ATOM 701 CE LYS A 44 -11.923 -7.713 -10.889 1.00 0.00 C ATOM 702 NZ LYS A 44 -12.401 -8.606 -11.951 1.00 0.00 N ATOM 0 H LYS A 44 -10.658 -5.982 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.094 -3.863 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.106 -6.128 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.431 -4.580 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.265 -4.702 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.886 -6.220 -9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.319 -5.775 -11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.818 -6.504 -12.304 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.098 -8.190 -10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.720 -7.556 -10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.179 -9.193 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.741 -8.039 -12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.622 -9.219 -12.266 1.00 0.00 H new ATOM 716 N ASN A 45 -12.130 -4.060 -6.027 1.00 0.00 N ATOM 717 CA ASN A 45 -12.896 -3.238 -5.101 1.00 0.00 C ATOM 718 C ASN A 45 -12.149 -1.933 -4.927 1.00 0.00 C ATOM 719 O ASN A 45 -11.098 -1.921 -4.292 1.00 0.00 O ATOM 720 CB ASN A 45 -13.048 -3.913 -3.721 1.00 0.00 C ATOM 721 CG ASN A 45 -14.422 -4.520 -3.522 1.00 0.00 C ATOM 722 OD1 ASN A 45 -15.438 -3.942 -3.892 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.503 -5.680 -2.912 1.00 0.00 N ATOM 0 H ASN A 45 -11.879 -4.974 -5.650 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.897 -3.086 -5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.292 -4.691 -3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.862 -3.178 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.415 -6.105 -2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.654 -6.156 -2.607 1.00 0.00 H new ATOM 730 N ARG A 46 -12.662 -0.810 -5.424 1.00 0.00 N ATOM 731 CA ARG A 46 -12.074 0.480 -5.119 1.00 0.00 C ATOM 732 C ARG A 46 -12.030 0.708 -3.602 1.00 0.00 C ATOM 733 O ARG A 46 -11.199 1.468 -3.125 1.00 0.00 O ATOM 734 CB ARG A 46 -12.881 1.537 -5.882 1.00 0.00 C ATOM 735 CG ARG A 46 -14.229 1.896 -5.226 1.00 0.00 C ATOM 736 CD ARG A 46 -15.335 2.344 -6.187 1.00 0.00 C ATOM 737 NE ARG A 46 -15.615 1.429 -7.310 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.922 0.121 -7.323 1.00 0.00 C ATOM 739 NH1 ARG A 46 -15.877 -0.651 -6.240 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.280 -0.451 -8.464 1.00 0.00 N ATOM 0 H ARG A 46 -13.478 -0.773 -6.035 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.035 0.539 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.280 2.442 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.066 1.176 -6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.585 1.028 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.059 2.691 -4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.253 2.481 -5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.064 3.318 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.568 1.863 -8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.599 -0.255 -5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.121 -1.639 -6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.320 0.101 -9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.515 -1.443 -8.485 1.00 0.00 H new ATOM 754 N GLU A 47 -12.877 0.016 -2.838 1.00 0.00 N ATOM 755 CA GLU A 47 -12.947 0.009 -1.391 1.00 0.00 C ATOM 756 C GLU A 47 -11.581 -0.286 -0.765 1.00 0.00 C ATOM 757 O GLU A 47 -11.236 0.318 0.252 1.00 0.00 O ATOM 758 CB GLU A 47 -14.037 -1.001 -0.929 1.00 0.00 C ATOM 759 CG GLU A 47 -15.476 -0.538 -1.228 1.00 0.00 C ATOM 760 CD GLU A 47 -16.046 -0.933 -2.605 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.295 -0.941 -3.605 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.267 -1.189 -2.719 1.00 0.00 O ATOM 0 H GLU A 47 -13.580 -0.596 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.232 1.002 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.864 -1.959 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.934 -1.168 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.133 -0.941 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.511 0.548 -1.141 1.00 0.00 H new ATOM 769 N THR A 48 -10.786 -1.172 -1.372 1.00 0.00 N ATOM 770 CA THR A 48 -9.474 -1.536 -0.834 1.00 0.00 C ATOM 771 C THR A 48 -8.473 -0.445 -1.246 1.00 0.00 C ATOM 772 O THR A 48 -7.627 -0.032 -0.461 1.00 0.00 O ATOM 773 CB THR A 48 -8.992 -2.961 -1.199 1.00 0.00 C ATOM 774 OG1 THR A 48 -7.960 -3.061 -2.142 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.095 -3.840 -1.788 1.00 0.00 C ATOM 0 H THR A 48 -11.030 -1.651 -2.239 1.00 0.00 H new ATOM 0 HA THR A 48 -9.557 -1.583 0.252 1.00 0.00 H new ATOM 0 HB THR A 48 -8.639 -3.287 -0.221 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.741 -4.005 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.690 -4.825 -2.021 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.904 -3.943 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.479 -3.380 -2.699 1.00 0.00 H new ATOM 783 N GLY A 49 -8.643 0.095 -2.452 1.00 0.00 N ATOM 784 CA GLY A 49 -7.931 1.237 -3.009 1.00 0.00 C ATOM 785 C GLY A 49 -7.993 2.404 -2.017 1.00 0.00 C ATOM 786 O GLY A 49 -6.975 2.902 -1.532 1.00 0.00 O ATOM 0 H GLY A 49 -9.328 -0.281 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.893 0.970 -3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.376 1.529 -3.960 1.00 0.00 H new ATOM 790 N CYS A 50 -9.213 2.798 -1.637 1.00 0.00 N ATOM 791 CA CYS A 50 -9.464 3.811 -0.621 1.00 0.00 C ATOM 792 C CYS A 50 -8.986 3.400 0.778 1.00 0.00 C ATOM 793 O CYS A 50 -8.576 4.276 1.542 1.00 0.00 O ATOM 794 CB CYS A 50 -10.948 4.199 -0.614 1.00 0.00 C ATOM 795 SG CYS A 50 -11.238 5.805 -1.403 1.00 0.00 S ATOM 0 H CYS A 50 -10.067 2.410 -2.039 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.870 4.684 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.525 3.432 -1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.309 4.230 0.414 1.00 0.00 H new ATOM 800 N ALA A 51 -9.001 2.111 1.137 1.00 0.00 N ATOM 801 CA ALA A 51 -8.409 1.641 2.390 1.00 0.00 C ATOM 802 C ALA A 51 -6.910 1.929 2.409 1.00 0.00 C ATOM 803 O ALA A 51 -6.404 2.495 3.375 1.00 0.00 O ATOM 804 CB ALA A 51 -8.661 0.145 2.609 1.00 0.00 C ATOM 0 H ALA A 51 -9.420 1.373 0.572 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.889 2.183 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.206 -0.167 3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.734 -0.042 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.222 -0.422 1.788 1.00 0.00 H new ATOM 810 N ILE A 52 -6.199 1.562 1.347 1.00 0.00 N ATOM 811 CA ILE A 52 -4.767 1.759 1.186 1.00 0.00 C ATOM 812 C ILE A 52 -4.460 3.256 1.232 1.00 0.00 C ATOM 813 O ILE A 52 -3.518 3.662 1.916 1.00 0.00 O ATOM 814 CB ILE A 52 -4.313 1.029 -0.104 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.324 -0.488 0.201 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.937 1.494 -0.624 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.330 -1.440 -0.997 1.00 0.00 C ATOM 0 H ILE A 52 -6.625 1.100 0.543 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.189 1.320 2.000 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.004 1.272 -0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.450 -0.717 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.202 -0.704 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.684 0.941 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.974 2.560 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.179 1.310 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.338 -2.471 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.218 -1.258 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.439 -1.271 -1.601 1.00 0.00 H new ATOM 829 N MET A 53 -5.285 4.089 0.593 1.00 0.00 N ATOM 830 CA MET A 53 -5.183 5.538 0.689 1.00 0.00 C ATOM 831 C MET A 53 -5.340 6.000 2.147 1.00 0.00 C ATOM 832 O MET A 53 -4.518 6.773 2.636 1.00 0.00 O ATOM 833 CB MET A 53 -6.218 6.170 -0.253 1.00 0.00 C ATOM 834 CG MET A 53 -5.911 7.644 -0.504 1.00 0.00 C ATOM 835 SD MET A 53 -6.822 8.397 -1.880 1.00 0.00 S ATOM 836 CE MET A 53 -8.523 8.244 -1.288 1.00 0.00 C ATOM 0 H MET A 53 -6.045 3.770 -0.008 1.00 0.00 H new ATOM 0 HA MET A 53 -4.193 5.869 0.375 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.227 5.632 -1.201 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.214 6.072 0.179 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.129 8.204 0.405 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.843 7.749 -0.695 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.207 8.632 -2.043 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.749 7.195 -1.098 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.640 8.813 -0.366 1.00 0.00 H new ATOM 846 N CYS A 54 -6.342 5.487 2.877 1.00 0.00 N ATOM 847 CA CYS A 54 -6.542 5.810 4.289 1.00 0.00 C ATOM 848 C CYS A 54 -5.332 5.416 5.134 1.00 0.00 C ATOM 849 O CYS A 54 -4.866 6.203 5.951 1.00 0.00 O ATOM 850 CB CYS A 54 -7.827 5.172 4.846 1.00 0.00 C ATOM 851 SG CYS A 54 -8.065 5.522 6.601 1.00 0.00 S ATOM 0 H CYS A 54 -7.033 4.838 2.501 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.656 6.892 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.685 5.542 4.285 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.788 4.093 4.696 1.00 0.00 H new ATOM 856 N LEU A 55 -4.819 4.199 4.973 1.00 0.00 N ATOM 857 CA LEU A 55 -3.677 3.732 5.746 1.00 0.00 C ATOM 858 C LEU A 55 -2.452 4.591 5.440 1.00 0.00 C ATOM 859 O LEU A 55 -1.714 4.939 6.356 1.00 0.00 O ATOM 860 CB LEU A 55 -3.390 2.265 5.404 1.00 0.00 C ATOM 861 CG LEU A 55 -4.438 1.272 5.931 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.135 -0.113 5.348 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.448 1.233 7.466 1.00 0.00 C ATOM 0 H LEU A 55 -5.181 3.515 4.308 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.905 3.814 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.324 2.164 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.415 1.994 5.809 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.431 1.594 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.870 -0.830 5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.181 -0.068 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.138 -0.427 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.200 0.521 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.467 0.926 7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.684 2.224 7.854 1.00 0.00 H new ATOM 875 N SER A 56 -2.254 4.969 4.175 1.00 0.00 N ATOM 876 CA SER A 56 -1.214 5.907 3.776 1.00 0.00 C ATOM 877 C SER A 56 -1.378 7.223 4.546 1.00 0.00 C ATOM 878 O SER A 56 -0.446 7.615 5.242 1.00 0.00 O ATOM 879 CB SER A 56 -1.207 6.086 2.252 1.00 0.00 C ATOM 880 OG SER A 56 -1.078 4.814 1.633 1.00 0.00 O ATOM 0 H SER A 56 -2.818 4.627 3.396 1.00 0.00 H new ATOM 0 HA SER A 56 -0.233 5.510 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.128 6.570 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.383 6.734 1.954 1.00 0.00 H new ATOM 0 HG SER A 56 -1.957 4.384 1.583 1.00 0.00 H new ATOM 886 N THR A 57 -2.557 7.855 4.522 1.00 0.00 N ATOM 887 CA THR A 57 -2.863 9.001 5.376 1.00 0.00 C ATOM 888 C THR A 57 -2.477 8.736 6.843 1.00 0.00 C ATOM 889 O THR A 57 -1.853 9.585 7.480 1.00 0.00 O ATOM 890 CB THR A 57 -4.359 9.362 5.245 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.602 10.110 4.071 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.860 10.154 6.450 1.00 0.00 C ATOM 0 H THR A 57 -3.325 7.583 3.908 1.00 0.00 H new ATOM 0 HA THR A 57 -2.266 9.850 5.043 1.00 0.00 H new ATOM 0 HB THR A 57 -4.902 8.418 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.556 10.324 4.011 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.916 10.388 6.318 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.730 9.561 7.355 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.292 11.080 6.539 1.00 0.00 H new ATOM 900 N LYS A 58 -2.877 7.597 7.413 1.00 0.00 N ATOM 901 CA LYS A 58 -2.696 7.329 8.839 1.00 0.00 C ATOM 902 C LYS A 58 -1.224 7.168 9.216 1.00 0.00 C ATOM 903 O LYS A 58 -0.885 7.302 10.387 1.00 0.00 O ATOM 904 CB LYS A 58 -3.468 6.077 9.248 1.00 0.00 C ATOM 905 CG LYS A 58 -4.994 6.160 9.066 1.00 0.00 C ATOM 906 CD LYS A 58 -5.742 6.311 10.395 1.00 0.00 C ATOM 907 CE LYS A 58 -7.261 6.314 10.181 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.812 4.965 10.154 1.00 0.00 N ATOM 0 H LYS A 58 -3.332 6.840 6.902 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.085 8.194 9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.094 5.233 8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.254 5.863 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.233 7.006 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.344 5.262 8.557 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.468 5.495 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.439 7.238 10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.738 6.884 10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.494 6.819 9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.770 4.973 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.854 4.627 9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.206 4.331 10.713 1.00 0.00 H new ATOM 922 N LEU A 59 -0.360 6.876 8.244 1.00 0.00 N ATOM 923 CA LEU A 59 1.085 6.762 8.410 1.00 0.00 C ATOM 924 C LEU A 59 1.769 8.062 7.966 1.00 0.00 C ATOM 925 O LEU A 59 2.982 8.089 7.751 1.00 0.00 O ATOM 926 CB LEU A 59 1.589 5.538 7.623 1.00 0.00 C ATOM 927 CG LEU A 59 0.997 4.208 8.134 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.204 3.112 7.091 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.608 3.758 9.464 1.00 0.00 C ATOM 0 H LEU A 59 -0.661 6.706 7.284 1.00 0.00 H new ATOM 0 HA LEU A 59 1.335 6.612 9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.337 5.661 6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.676 5.494 7.687 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.066 4.381 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.784 2.176 7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.706 3.394 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.270 2.983 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.153 2.817 9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.682 3.619 9.342 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.424 4.517 10.224 1.00 0.00 H new ATOM 941 N ASN A 60 0.995 9.140 7.803 1.00 0.00 N ATOM 942 CA ASN A 60 1.360 10.454 7.288 1.00 0.00 C ATOM 943 C ASN A 60 2.101 10.348 5.954 1.00 0.00 C ATOM 944 O ASN A 60 3.052 11.089 5.705 1.00 0.00 O ATOM 945 CB ASN A 60 2.135 11.291 8.315 1.00 0.00 C ATOM 946 CG ASN A 60 1.483 11.435 9.682 1.00 0.00 C ATOM 947 OD1 ASN A 60 0.302 11.183 9.911 1.00 0.00 O ATOM 948 ND2 ASN A 60 2.289 11.831 10.643 1.00 0.00 N ATOM 0 H ASN A 60 0.007 9.106 8.053 1.00 0.00 H new ATOM 0 HA ASN A 60 0.430 10.990 7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.121 10.845 8.449 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.290 12.287 7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.936 11.933 11.595 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.267 12.036 10.437 1.00 0.00 H new ATOM 955 N MET A 61 1.706 9.396 5.101 1.00 0.00 N ATOM 956 CA MET A 61 2.382 9.153 3.826 1.00 0.00 C ATOM 957 C MET A 61 1.847 10.059 2.717 1.00 0.00 C ATOM 958 O MET A 61 2.198 9.825 1.567 1.00 0.00 O ATOM 959 CB MET A 61 2.338 7.677 3.378 1.00 0.00 C ATOM 960 CG MET A 61 3.304 6.775 4.138 1.00 0.00 C ATOM 961 SD MET A 61 3.555 5.192 3.289 1.00 0.00 S ATOM 962 CE MET A 61 4.018 4.123 4.670 1.00 0.00 C ATOM 0 H MET A 61 0.914 8.777 5.275 1.00 0.00 H new ATOM 0 HA MET A 61 3.428 9.399 4.006 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.324 7.298 3.506 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.566 7.623 2.313 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.262 7.282 4.252 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.918 6.593 5.141 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.966 3.632 4.449 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.122 4.722 5.575 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.246 3.369 4.821 1.00 0.00 H new ATOM 972 N LEU A 62 1.020 11.065 3.009 1.00 0.00 N ATOM 973 CA LEU A 62 0.548 12.037 2.029 1.00 0.00 C ATOM 974 C LEU A 62 1.003 13.421 2.468 1.00 0.00 C ATOM 975 O LEU A 62 0.591 13.883 3.536 1.00 0.00 O ATOM 976 CB LEU A 62 -0.978 11.980 1.850 1.00 0.00 C ATOM 977 CG LEU A 62 -1.521 10.627 1.358 1.00 0.00 C ATOM 978 CD1 LEU A 62 -3.026 10.750 1.114 1.00 0.00 C ATOM 979 CD2 LEU A 62 -0.862 10.165 0.057 1.00 0.00 C ATOM 0 H LEU A 62 0.656 11.227 3.948 1.00 0.00 H new ATOM 0 HA LEU A 62 0.975 11.799 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.450 12.220 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.276 12.754 1.142 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.297 9.891 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.417 9.794 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.524 11.028 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.211 11.515 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.283 9.206 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.044 10.902 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.212 10.058 0.211 1.00 0.00 H new ATOM 1053 N LEU A 68 2.333 11.261 -2.496 1.00 0.00 N ATOM 1054 CA LEU A 68 3.161 10.398 -1.662 1.00 0.00 C ATOM 1055 C LEU A 68 4.253 11.205 -0.945 1.00 0.00 C ATOM 1056 O LEU A 68 5.112 11.808 -1.587 1.00 0.00 O ATOM 1057 CB LEU A 68 3.747 9.286 -2.552 1.00 0.00 C ATOM 1058 CG LEU A 68 3.983 7.929 -1.874 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.975 7.962 -0.712 1.00 0.00 C ATOM 1060 CD2 LEU A 68 2.695 7.215 -1.475 1.00 0.00 C ATOM 0 HA LEU A 68 2.558 9.943 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.076 9.134 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.696 9.636 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 68 4.455 7.337 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.079 6.961 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.944 8.308 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.610 8.641 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.938 6.264 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.137 7.836 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.089 7.034 -2.363 1.00 0.00 H new ATOM 1072 N HIS A 69 4.218 11.257 0.385 1.00 0.00 N ATOM 1073 CA HIS A 69 5.235 11.859 1.231 1.00 0.00 C ATOM 1074 C HIS A 69 6.437 10.925 1.252 1.00 0.00 C ATOM 1075 O HIS A 69 6.576 10.077 2.138 1.00 0.00 O ATOM 1076 CB HIS A 69 4.700 12.135 2.647 1.00 0.00 C ATOM 1077 CG HIS A 69 5.579 13.033 3.485 1.00 0.00 C ATOM 1078 ND1 HIS A 69 6.957 13.030 3.537 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.138 13.989 4.359 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.336 13.954 4.434 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.265 14.565 4.964 1.00 0.00 N ATOM 0 H HIS A 69 3.445 10.863 0.921 1.00 0.00 H new ATOM 0 HA HIS A 69 5.530 12.828 0.829 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.712 12.588 2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.574 11.185 3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.108 14.253 4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.361 14.175 4.693 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.270 15.303 5.668 1.00 0.00 H new ATOM 1089 N HIS A 70 7.330 11.091 0.279 1.00 0.00 N ATOM 1090 CA HIS A 70 8.510 10.255 0.093 1.00 0.00 C ATOM 1091 C HIS A 70 9.329 10.132 1.383 1.00 0.00 C ATOM 1092 O HIS A 70 9.832 9.046 1.679 1.00 0.00 O ATOM 1093 CB HIS A 70 9.340 10.820 -1.067 1.00 0.00 C ATOM 1094 CG HIS A 70 8.511 11.070 -2.302 1.00 0.00 C ATOM 1095 ND1 HIS A 70 8.278 12.295 -2.883 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.758 10.143 -2.970 1.00 0.00 C ATOM 1097 CE1 HIS A 70 7.426 12.101 -3.903 1.00 0.00 C ATOM 1098 NE2 HIS A 70 7.063 10.808 -3.980 1.00 0.00 N ATOM 0 H HIS A 70 7.249 11.830 -0.419 1.00 0.00 H new ATOM 0 HA HIS A 70 8.197 9.241 -0.158 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.809 11.752 -0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.144 10.124 -1.307 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.679 13.187 -2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.710 9.086 -2.754 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.080 12.877 -4.570 1.00 0.00 H new ATOM 1106 N GLY A 71 9.407 11.218 2.162 1.00 0.00 N ATOM 1107 CA GLY A 71 9.954 11.257 3.513 1.00 0.00 C ATOM 1108 C GLY A 71 9.327 10.230 4.453 1.00 0.00 C ATOM 1109 O GLY A 71 9.962 9.220 4.756 1.00 0.00 O ATOM 0 H GLY A 71 9.075 12.130 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.030 11.086 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.807 12.254 3.927 1.00 0.00 H new ATOM 1113 N ASN A 72 8.095 10.448 4.936 1.00 0.00 N ATOM 1114 CA ASN A 72 7.552 9.581 5.988 1.00 0.00 C ATOM 1115 C ASN A 72 7.315 8.148 5.501 1.00 0.00 C ATOM 1116 O ASN A 72 7.409 7.208 6.290 1.00 0.00 O ATOM 1117 CB ASN A 72 6.295 10.170 6.652 1.00 0.00 C ATOM 1118 CG ASN A 72 6.329 9.950 8.166 1.00 0.00 C ATOM 1119 OD1 ASN A 72 7.319 10.285 8.822 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.269 9.427 8.761 1.00 0.00 N ATOM 0 H ASN A 72 7.473 11.194 4.626 1.00 0.00 H new ATOM 0 HA ASN A 72 8.321 9.532 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.229 11.236 6.436 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.404 9.704 6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.264 9.297 9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.457 9.154 8.208 1.00 0.00 H new ATOM 1127 N ALA A 73 7.099 7.958 4.193 1.00 0.00 N ATOM 1128 CA ALA A 73 7.096 6.645 3.559 1.00 0.00 C ATOM 1129 C ALA A 73 8.438 5.923 3.769 1.00 0.00 C ATOM 1130 O ALA A 73 8.479 4.719 4.032 1.00 0.00 O ATOM 1131 CB ALA A 73 6.764 6.803 2.074 1.00 0.00 C ATOM 0 H ALA A 73 6.920 8.724 3.543 1.00 0.00 H new ATOM 0 HA ALA A 73 6.331 6.023 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.761 5.824 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.781 7.262 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.513 7.436 1.599 1.00 0.00 H new ATOM 1137 N MET A 74 9.558 6.632 3.633 1.00 0.00 N ATOM 1138 CA MET A 74 10.897 6.096 3.811 1.00 0.00 C ATOM 1139 C MET A 74 11.262 5.946 5.286 1.00 0.00 C ATOM 1140 O MET A 74 12.040 5.053 5.624 1.00 0.00 O ATOM 1141 CB MET A 74 11.868 7.027 3.090 1.00 0.00 C ATOM 1142 CG MET A 74 13.303 6.522 3.117 1.00 0.00 C ATOM 1143 SD MET A 74 14.276 7.104 1.720 1.00 0.00 S ATOM 1144 CE MET A 74 13.761 5.875 0.497 1.00 0.00 C ATOM 0 H MET A 74 9.553 7.622 3.389 1.00 0.00 H new ATOM 0 HA MET A 74 10.950 5.093 3.388 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.549 7.145 2.054 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.827 8.014 3.551 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.779 6.843 4.044 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.299 5.432 3.122 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.577 5.174 0.320 1.00 0.00 H new ATOM 0 HE2 MET A 74 12.891 5.333 0.869 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.504 6.376 -0.436 1.00 0.00 H new ATOM 1154 N GLU A 75 10.727 6.781 6.179 1.00 0.00 N ATOM 1155 CA GLU A 75 10.801 6.604 7.614 1.00 0.00 C ATOM 1156 C GLU A 75 10.240 5.240 7.959 1.00 0.00 C ATOM 1157 O GLU A 75 10.972 4.436 8.525 1.00 0.00 O ATOM 1158 CB GLU A 75 9.976 7.731 8.245 1.00 0.00 C ATOM 1159 CG GLU A 75 10.528 8.262 9.553 1.00 0.00 C ATOM 1160 CD GLU A 75 10.109 7.467 10.798 1.00 0.00 C ATOM 1161 OE1 GLU A 75 8.888 7.405 11.086 1.00 0.00 O ATOM 1162 OE2 GLU A 75 11.009 6.950 11.494 1.00 0.00 O ATOM 0 H GLU A 75 10.217 7.621 5.906 1.00 0.00 H new ATOM 0 HA GLU A 75 11.824 6.650 7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.907 8.554 7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.962 7.370 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.616 8.272 9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.206 9.296 9.674 1.00 0.00 H new ATOM 1169 N PHE A 76 8.996 4.963 7.536 1.00 0.00 N ATOM 1170 CA PHE A 76 8.326 3.698 7.787 1.00 0.00 C ATOM 1171 C PHE A 76 9.250 2.559 7.378 1.00 0.00 C ATOM 1172 O PHE A 76 9.540 1.707 8.206 1.00 0.00 O ATOM 1173 CB PHE A 76 6.963 3.637 7.077 1.00 0.00 C ATOM 1174 CG PHE A 76 6.165 2.370 7.370 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.747 2.102 8.688 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.846 1.450 6.349 1.00 0.00 C ATOM 1177 CE1 PHE A 76 5.058 0.907 8.987 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.133 0.270 6.654 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.759 -0.020 7.979 1.00 0.00 C ATOM 0 H PHE A 76 8.430 5.625 7.005 1.00 0.00 H new ATOM 0 HA PHE A 76 8.112 3.601 8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.371 4.503 7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.122 3.713 6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.955 2.814 9.473 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.148 1.649 5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.758 0.704 10.004 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.872 -0.417 5.862 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.250 -0.942 8.216 1.00 0.00 H new ATOM 1189 N ALA A 77 9.794 2.573 6.160 1.00 0.00 N ATOM 1190 CA ALA A 77 10.717 1.531 5.734 1.00 0.00 C ATOM 1191 C ALA A 77 11.919 1.367 6.679 1.00 0.00 C ATOM 1192 O ALA A 77 12.128 0.288 7.242 1.00 0.00 O ATOM 1193 CB ALA A 77 11.140 1.774 4.291 1.00 0.00 C ATOM 0 H ALA A 77 9.611 3.291 5.459 1.00 0.00 H new ATOM 0 HA ALA A 77 10.190 0.578 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.831 0.991 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.261 1.761 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.632 2.744 4.214 1.00 0.00 H new ATOM 1199 N LYS A 78 12.752 2.402 6.833 1.00 0.00 N ATOM 1200 CA LYS A 78 13.995 2.303 7.599 1.00 0.00 C ATOM 1201 C LYS A 78 13.744 1.904 9.052 1.00 0.00 C ATOM 1202 O LYS A 78 14.475 1.072 9.586 1.00 0.00 O ATOM 1203 CB LYS A 78 14.751 3.638 7.526 1.00 0.00 C ATOM 1204 CG LYS A 78 15.900 3.604 6.502 1.00 0.00 C ATOM 1205 CD LYS A 78 15.482 4.080 5.097 1.00 0.00 C ATOM 1206 CE LYS A 78 16.496 5.048 4.471 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.645 6.295 5.253 1.00 0.00 N ATOM 0 H LYS A 78 12.584 3.325 6.433 1.00 0.00 H new ATOM 0 HA LYS A 78 14.603 1.515 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.054 4.433 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.152 3.880 8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.716 4.230 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.285 2.587 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.363 3.214 4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.510 4.569 5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.465 4.554 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.181 5.294 3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.007 7.050 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.721 6.576 5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.313 6.137 6.035 1.00 0.00 H new ATOM 1221 N LYS A 79 12.694 2.442 9.666 1.00 0.00 N ATOM 1222 CA LYS A 79 12.239 2.159 11.024 1.00 0.00 C ATOM 1223 C LYS A 79 12.094 0.664 11.303 1.00 0.00 C ATOM 1224 O LYS A 79 12.302 0.232 12.433 1.00 0.00 O ATOM 1225 CB LYS A 79 10.909 2.905 11.148 1.00 0.00 C ATOM 1226 CG LYS A 79 10.088 2.693 12.415 1.00 0.00 C ATOM 1227 CD LYS A 79 8.880 3.641 12.334 1.00 0.00 C ATOM 1228 CE LYS A 79 7.855 3.375 13.432 1.00 0.00 C ATOM 1229 NZ LYS A 79 8.450 3.521 14.770 1.00 0.00 N ATOM 0 H LYS A 79 12.102 3.129 9.200 1.00 0.00 H new ATOM 0 HA LYS A 79 12.966 2.490 11.766 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.114 3.972 11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.288 2.626 10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.760 1.656 12.493 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.686 2.905 13.301 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.226 4.672 12.406 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.402 3.533 11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.019 4.067 13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.452 2.368 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.704 3.451 15.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.151 2.768 14.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.916 4.448 14.843 1.00 0.00 H new ATOM 1243 N HIS A 80 11.707 -0.115 10.293 1.00 0.00 N ATOM 1244 CA HIS A 80 11.482 -1.553 10.415 1.00 0.00 C ATOM 1245 C HIS A 80 12.749 -2.369 10.118 1.00 0.00 C ATOM 1246 O HIS A 80 12.751 -3.581 10.366 1.00 0.00 O ATOM 1247 CB HIS A 80 10.309 -1.944 9.502 1.00 0.00 C ATOM 1248 CG HIS A 80 9.026 -1.369 10.028 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.661 -0.048 10.027 1.00 0.00 N ATOM 1250 CD2 HIS A 80 8.100 -2.039 10.765 1.00 0.00 C ATOM 1251 CE1 HIS A 80 7.546 0.087 10.744 1.00 0.00 C ATOM 1252 NE2 HIS A 80 7.160 -1.109 11.203 1.00 0.00 N ATOM 0 H HIS A 80 11.539 0.242 9.353 1.00 0.00 H new ATOM 0 HA HIS A 80 11.226 -1.789 11.448 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.490 -1.581 8.490 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.232 -3.030 9.443 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.160 0.707 9.556 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.094 -3.099 10.973 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.032 1.019 10.927 1.00 0.00 H new ATOM 1260 N GLY A 81 13.814 -1.741 9.606 1.00 0.00 N ATOM 1261 CA GLY A 81 15.045 -2.404 9.197 1.00 0.00 C ATOM 1262 C GLY A 81 15.244 -2.444 7.685 1.00 0.00 C ATOM 1263 O GLY A 81 16.015 -3.273 7.208 1.00 0.00 O ATOM 0 H GLY A 81 13.838 -0.731 9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.892 -1.892 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.044 -3.424 9.582 1.00 0.00 H new ATOM 1267 N ALA A 82 14.519 -1.635 6.901 1.00 0.00 N ATOM 1268 CA ALA A 82 14.702 -1.658 5.457 1.00 0.00 C ATOM 1269 C ALA A 82 16.083 -1.135 5.078 1.00 0.00 C ATOM 1270 O ALA A 82 16.592 -0.181 5.683 1.00 0.00 O ATOM 1271 CB ALA A 82 13.655 -0.804 4.752 1.00 0.00 C ATOM 0 H ALA A 82 13.819 -0.974 7.238 1.00 0.00 H new ATOM 0 HA ALA A 82 14.597 -2.696 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.819 -0.842 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.660 -1.185 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.736 0.228 5.095 1.00 0.00 H new ATOM 1277 N ASP A 83 16.628 -1.682 3.992 1.00 0.00 N ATOM 1278 CA ASP A 83 17.811 -1.110 3.366 1.00 0.00 C ATOM 1279 C ASP A 83 17.458 0.236 2.763 1.00 0.00 C ATOM 1280 O ASP A 83 16.300 0.494 2.429 1.00 0.00 O ATOM 1281 CB ASP A 83 18.390 -1.971 2.237 1.00 0.00 C ATOM 1282 CG ASP A 83 18.583 -3.451 2.536 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.451 -3.777 3.373 1.00 0.00 O ATOM 1284 OD2 ASP A 83 17.934 -4.297 1.869 1.00 0.00 O ATOM 0 H ASP A 83 16.268 -2.518 3.531 1.00 0.00 H new ATOM 0 HA ASP A 83 18.560 -1.035 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.735 -1.882 1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.355 -1.553 1.951 1.00 0.00 H new ATOM 1289 N GLU A 84 18.481 1.054 2.536 1.00 0.00 N ATOM 1290 CA GLU A 84 18.366 2.317 1.825 1.00 0.00 C ATOM 1291 C GLU A 84 17.845 1.993 0.417 1.00 0.00 C ATOM 1292 O GLU A 84 16.856 2.570 -0.030 1.00 0.00 O ATOM 1293 CB GLU A 84 19.736 3.038 1.853 1.00 0.00 C ATOM 1294 CG GLU A 84 19.706 4.524 2.259 1.00 0.00 C ATOM 1295 CD GLU A 84 19.575 5.513 1.096 1.00 0.00 C ATOM 1296 OE1 GLU A 84 19.151 5.126 -0.015 1.00 0.00 O ATOM 1297 OE2 GLU A 84 19.857 6.715 1.301 1.00 0.00 O ATOM 0 H GLU A 84 19.431 0.851 2.848 1.00 0.00 H new ATOM 0 HA GLU A 84 17.662 3.009 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.391 2.506 2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.186 2.961 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.873 4.681 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.619 4.753 2.809 1.00 0.00 H new ATOM 1304 N THR A 85 18.404 0.967 -0.232 1.00 0.00 N ATOM 1305 CA THR A 85 18.056 0.577 -1.594 1.00 0.00 C ATOM 1306 C THR A 85 16.639 0.001 -1.653 1.00 0.00 C ATOM 1307 O THR A 85 15.969 0.061 -2.680 1.00 0.00 O ATOM 1308 CB THR A 85 19.050 -0.484 -2.108 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.334 -0.364 -1.516 1.00 0.00 O ATOM 1310 CG2 THR A 85 19.171 -0.497 -3.627 1.00 0.00 C ATOM 0 H THR A 85 19.123 0.376 0.185 1.00 0.00 H new ATOM 0 HA THR A 85 18.104 1.467 -2.221 1.00 0.00 H new ATOM 0 HB THR A 85 18.625 -1.439 -1.800 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.925 -1.059 -1.873 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.884 -1.264 -3.929 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.198 -0.713 -4.068 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.517 0.477 -3.973 1.00 0.00 H new ATOM 1318 N MET A 86 16.188 -0.652 -0.583 1.00 0.00 N ATOM 1319 CA MET A 86 14.863 -1.250 -0.493 1.00 0.00 C ATOM 1320 C MET A 86 13.849 -0.138 -0.311 1.00 0.00 C ATOM 1321 O MET A 86 12.886 -0.062 -1.059 1.00 0.00 O ATOM 1322 CB MET A 86 14.849 -2.272 0.650 1.00 0.00 C ATOM 1323 CG MET A 86 13.442 -2.643 1.139 1.00 0.00 C ATOM 1324 SD MET A 86 13.175 -4.415 1.449 1.00 0.00 S ATOM 1325 CE MET A 86 14.454 -4.697 2.697 1.00 0.00 C ATOM 0 H MET A 86 16.747 -0.781 0.261 1.00 0.00 H new ATOM 0 HA MET A 86 14.601 -1.791 -1.403 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.358 -3.178 0.320 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.420 -1.872 1.488 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.237 -2.094 2.058 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.716 -2.306 0.399 1.00 0.00 H new ATOM 0 HE1 MET A 86 14.436 -5.742 3.007 1.00 0.00 H new ATOM 0 HE2 MET A 86 15.431 -4.460 2.277 1.00 0.00 H new ATOM 0 HE3 MET A 86 14.266 -4.059 3.561 1.00 0.00 H new ATOM 1335 N ALA A 87 14.068 0.742 0.658 1.00 0.00 N ATOM 1336 CA ALA A 87 13.210 1.884 0.892 1.00 0.00 C ATOM 1337 C ALA A 87 13.143 2.792 -0.334 1.00 0.00 C ATOM 1338 O ALA A 87 12.073 3.317 -0.635 1.00 0.00 O ATOM 1339 CB ALA A 87 13.716 2.561 2.152 1.00 0.00 C ATOM 0 H ALA A 87 14.854 0.678 1.305 1.00 0.00 H new ATOM 0 HA ALA A 87 12.173 1.588 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.098 3.432 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.665 1.861 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.749 2.877 2.006 1.00 0.00 H new ATOM 1345 N GLN A 88 14.255 2.953 -1.056 1.00 0.00 N ATOM 1346 CA GLN A 88 14.260 3.676 -2.311 1.00 0.00 C ATOM 1347 C GLN A 88 13.424 2.922 -3.341 1.00 0.00 C ATOM 1348 O GLN A 88 12.625 3.573 -4.000 1.00 0.00 O ATOM 1349 CB GLN A 88 15.693 3.958 -2.784 1.00 0.00 C ATOM 1350 CG GLN A 88 15.779 4.683 -4.137 1.00 0.00 C ATOM 1351 CD GLN A 88 15.098 6.052 -4.211 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.749 7.094 -4.142 1.00 0.00 O ATOM 1353 NE2 GLN A 88 13.788 6.112 -4.381 1.00 0.00 N ATOM 0 H GLN A 88 15.166 2.585 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 88 13.799 4.653 -2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.201 4.559 -2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.232 3.014 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.831 4.809 -4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.340 4.040 -4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.241 5.253 -4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.324 7.017 -4.454 1.00 0.00 H new ATOM 1362 N GLN A 89 13.546 1.598 -3.477 1.00 0.00 N ATOM 1363 CA GLN A 89 12.707 0.827 -4.385 1.00 0.00 C ATOM 1364 C GLN A 89 11.222 1.008 -4.061 1.00 0.00 C ATOM 1365 O GLN A 89 10.431 1.276 -4.963 1.00 0.00 O ATOM 1366 CB GLN A 89 13.109 -0.660 -4.353 1.00 0.00 C ATOM 1367 CG GLN A 89 14.052 -0.998 -5.511 1.00 0.00 C ATOM 1368 CD GLN A 89 13.974 -2.455 -5.933 1.00 0.00 C ATOM 1369 OE1 GLN A 89 13.201 -2.816 -6.815 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.776 -3.307 -5.323 1.00 0.00 N ATOM 0 H GLN A 89 14.226 1.038 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 89 12.865 1.202 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.595 -0.889 -3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.217 -1.283 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.812 -0.365 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.076 -0.764 -5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.409 -2.979 -4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.763 -4.294 -5.581 1.00 0.00 H new ATOM 1379 N LEU A 90 10.847 0.879 -2.788 1.00 0.00 N ATOM 1380 CA LEU A 90 9.471 1.002 -2.318 1.00 0.00 C ATOM 1381 C LEU A 90 8.901 2.370 -2.648 1.00 0.00 C ATOM 1382 O LEU A 90 7.710 2.447 -2.951 1.00 0.00 O ATOM 1383 CB LEU A 90 9.394 0.715 -0.806 1.00 0.00 C ATOM 1384 CG LEU A 90 9.738 -0.737 -0.411 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.066 -0.836 1.085 1.00 0.00 C ATOM 1386 CD2 LEU A 90 8.598 -1.703 -0.726 1.00 0.00 C ATOM 0 H LEU A 90 11.510 0.681 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 90 8.863 0.261 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.074 1.390 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.387 0.944 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 90 10.610 -1.018 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.305 -1.869 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.921 -0.200 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.205 -0.510 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.885 -2.713 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.705 -1.404 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.389 -1.683 -1.796 1.00 0.00 H new ATOM 1398 N ILE A 91 9.702 3.438 -2.627 1.00 0.00 N ATOM 1399 CA ILE A 91 9.218 4.727 -3.086 1.00 0.00 C ATOM 1400 C ILE A 91 9.295 4.846 -4.597 1.00 0.00 C ATOM 1401 O ILE A 91 8.361 5.390 -5.164 1.00 0.00 O ATOM 1402 CB ILE A 91 9.868 5.899 -2.315 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.033 6.149 -1.038 1.00 0.00 C ATOM 1404 CG2 ILE A 91 9.968 7.199 -3.130 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.589 5.359 0.140 1.00 0.00 C ATOM 0 H ILE A 91 10.669 3.431 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 91 8.157 4.795 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 91 10.894 5.614 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.035 7.213 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.996 5.863 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.434 7.974 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.571 7.024 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.969 7.521 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.984 5.552 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.564 4.294 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.618 5.664 0.330 1.00 0.00 H new ATOM 1417 N ASP A 92 10.333 4.365 -5.266 1.00 0.00 N ATOM 1418 CA ASP A 92 10.509 4.527 -6.707 1.00 0.00 C ATOM 1419 C ASP A 92 9.358 3.875 -7.476 1.00 0.00 C ATOM 1420 O ASP A 92 8.888 4.400 -8.487 1.00 0.00 O ATOM 1421 CB ASP A 92 11.846 3.910 -7.129 1.00 0.00 C ATOM 1422 CG ASP A 92 12.008 3.954 -8.643 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.970 5.051 -9.238 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.126 2.867 -9.252 1.00 0.00 O ATOM 0 H ASP A 92 11.088 3.844 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 92 10.509 5.591 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.666 4.449 -6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.901 2.878 -6.783 1.00 0.00 H new ATOM 1429 N ILE A 93 8.883 2.733 -6.981 1.00 0.00 N ATOM 1430 CA ILE A 93 7.814 1.964 -7.588 1.00 0.00 C ATOM 1431 C ILE A 93 6.463 2.617 -7.258 1.00 0.00 C ATOM 1432 O ILE A 93 5.639 2.773 -8.159 1.00 0.00 O ATOM 1433 CB ILE A 93 7.959 0.490 -7.141 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.296 -0.094 -7.662 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.827 -0.361 -7.726 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.804 -1.365 -6.967 1.00 0.00 C ATOM 0 H ILE A 93 9.245 2.312 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 93 7.871 1.961 -8.676 1.00 0.00 H new ATOM 0 HB ILE A 93 7.926 0.468 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.184 -0.308 -8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.063 0.675 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.944 -1.395 -7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.867 0.022 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.863 -0.316 -8.814 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.746 -1.676 -7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.960 -1.163 -5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.067 -2.161 -7.080 1.00 0.00 H new ATOM 1448 N VAL A 94 6.224 3.014 -6.001 1.00 0.00 N ATOM 1449 CA VAL A 94 4.961 3.634 -5.588 1.00 0.00 C ATOM 1450 C VAL A 94 4.819 5.031 -6.203 1.00 0.00 C ATOM 1451 O VAL A 94 3.773 5.372 -6.763 1.00 0.00 O ATOM 1452 CB VAL A 94 4.854 3.628 -4.042 1.00 0.00 C ATOM 1453 CG1 VAL A 94 3.657 4.452 -3.550 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.630 2.183 -3.586 1.00 0.00 C ATOM 0 H VAL A 94 6.900 2.914 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 94 4.121 3.052 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 94 5.770 4.058 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.618 4.422 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.766 5.485 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.736 4.035 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.551 2.152 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.710 1.801 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.470 1.566 -3.906 1.00 0.00 H new ATOM 1464 N HIS A 95 5.878 5.840 -6.123 1.00 0.00 N ATOM 1465 CA HIS A 95 5.938 7.181 -6.681 1.00 0.00 C ATOM 1466 C HIS A 95 5.663 7.021 -8.182 1.00 0.00 C ATOM 1467 O HIS A 95 4.762 7.654 -8.727 1.00 0.00 O ATOM 1468 CB HIS A 95 7.313 7.837 -6.456 1.00 0.00 C ATOM 1469 CG HIS A 95 7.451 9.251 -6.964 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.628 9.829 -7.379 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.479 10.217 -7.005 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.377 11.119 -7.645 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.073 11.395 -7.477 1.00 0.00 N ATOM 0 H HIS A 95 6.741 5.566 -5.653 1.00 0.00 H new ATOM 0 HA HIS A 95 5.210 7.831 -6.196 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.528 7.831 -5.387 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.073 7.221 -6.937 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.444 10.093 -6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.122 11.838 -7.952 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.608 12.285 -7.657 1.00 0.00 H new ATOM 1481 N GLY A 96 6.388 6.092 -8.822 1.00 0.00 N ATOM 1482 CA GLY A 96 6.264 5.648 -10.206 1.00 0.00 C ATOM 1483 C GLY A 96 4.931 4.983 -10.555 1.00 0.00 C ATOM 1484 O GLY A 96 4.834 4.360 -11.608 1.00 0.00 O ATOM 0 H GLY A 96 7.136 5.595 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.407 6.507 -10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.070 4.946 -10.420 1.00 0.00 H new ATOM 1488 N CYS A 97 3.891 5.133 -9.732 1.00 0.00 N ATOM 1489 CA CYS A 97 2.517 4.823 -10.073 1.00 0.00 C ATOM 1490 C CYS A 97 1.569 5.949 -9.666 1.00 0.00 C ATOM 1491 O CYS A 97 0.618 6.146 -10.405 1.00 0.00 O ATOM 1492 CB CYS A 97 2.095 3.495 -9.456 1.00 0.00 C ATOM 1493 SG CYS A 97 2.576 2.060 -10.434 1.00 0.00 S ATOM 0 H CYS A 97 3.994 5.486 -8.781 1.00 0.00 H new ATOM 0 HA CYS A 97 2.457 4.728 -11.157 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.534 3.410 -8.462 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.013 3.491 -9.328 1.00 0.00 H new ATOM 1498 N GLU A 98 1.796 6.767 -8.628 1.00 0.00 N ATOM 1499 CA GLU A 98 0.838 7.843 -8.277 1.00 0.00 C ATOM 1500 C GLU A 98 0.537 8.794 -9.466 1.00 0.00 C ATOM 1501 O GLU A 98 -0.538 9.385 -9.559 1.00 0.00 O ATOM 1502 CB GLU A 98 1.288 8.641 -7.028 1.00 0.00 C ATOM 1503 CG GLU A 98 1.051 7.893 -5.692 1.00 0.00 C ATOM 1504 CD GLU A 98 0.489 8.741 -4.534 1.00 0.00 C ATOM 1505 OE1 GLU A 98 0.672 9.975 -4.476 1.00 0.00 O ATOM 1506 OE2 GLU A 98 -0.180 8.141 -3.655 1.00 0.00 O ATOM 0 H GLU A 98 2.616 6.713 -8.023 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.095 7.337 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.349 8.875 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.753 9.590 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.365 7.067 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.996 7.456 -5.371 1.00 0.00 H new ATOM 1513 N LYS A 99 1.421 8.867 -10.460 1.00 0.00 N ATOM 1514 CA LYS A 99 1.252 9.685 -11.668 1.00 0.00 C ATOM 1515 C LYS A 99 1.302 8.877 -12.958 1.00 0.00 C ATOM 1516 O LYS A 99 0.753 9.303 -13.971 1.00 0.00 O ATOM 1517 CB LYS A 99 2.292 10.809 -11.690 1.00 0.00 C ATOM 1518 CG LYS A 99 3.756 10.356 -11.569 1.00 0.00 C ATOM 1519 CD LYS A 99 4.329 10.522 -10.160 1.00 0.00 C ATOM 1520 CE LYS A 99 5.760 9.979 -10.151 1.00 0.00 C ATOM 1521 NZ LYS A 99 6.787 11.009 -10.370 1.00 0.00 N ATOM 0 H LYS A 99 2.298 8.347 -10.451 1.00 0.00 H new ATOM 0 HA LYS A 99 0.251 10.113 -11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.178 11.368 -12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.074 11.498 -10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.830 9.309 -11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.364 10.927 -12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.321 11.572 -9.869 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.716 9.986 -9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.947 9.490 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.854 9.216 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.703 10.552 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.522 11.595 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.863 11.609 -9.524 1.00 0.00 H new ATOM 1535 N SER A 100 1.977 7.737 -12.916 1.00 0.00 N ATOM 1536 CA SER A 100 2.127 6.806 -14.020 1.00 0.00 C ATOM 1537 C SER A 100 0.913 5.898 -14.202 1.00 0.00 C ATOM 1538 O SER A 100 0.602 5.534 -15.331 1.00 0.00 O ATOM 1539 CB SER A 100 3.377 5.982 -13.753 1.00 0.00 C ATOM 1540 OG SER A 100 4.521 6.599 -14.319 1.00 0.00 O ATOM 0 H SER A 100 2.456 7.424 -12.072 1.00 0.00 H new ATOM 0 HA SER A 100 2.214 7.369 -14.949 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.517 5.864 -12.678 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.254 4.982 -14.170 1.00 0.00 H new ATOM 0 HG SER A 100 5.313 6.052 -14.133 1.00 0.00 H new ATOM 1546 N THR A 101 0.227 5.526 -13.124 1.00 0.00 N ATOM 1547 CA THR A 101 -1.047 4.838 -13.196 1.00 0.00 C ATOM 1548 C THR A 101 -2.104 5.888 -13.574 1.00 0.00 C ATOM 1549 O THR A 101 -2.352 6.798 -12.775 1.00 0.00 O ATOM 1550 CB THR A 101 -1.310 4.207 -11.828 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.364 3.180 -11.605 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.690 3.573 -11.716 1.00 0.00 C ATOM 0 H THR A 101 0.547 5.698 -12.171 1.00 0.00 H new ATOM 0 HA THR A 101 -1.067 4.043 -13.941 1.00 0.00 H new ATOM 0 HB THR A 101 -1.238 5.012 -11.097 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.619 2.668 -10.809 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.813 3.143 -10.722 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.454 4.333 -11.880 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.792 2.788 -12.466 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.732 5.795 -14.757 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.869 6.634 -15.108 1.00 0.00 C ATOM 1562 C PRO A 102 -5.084 6.205 -14.299 1.00 0.00 C ATOM 1563 O PRO A 102 -5.273 5.009 -14.055 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.138 6.398 -16.599 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.086 5.381 -17.044 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.544 4.771 -15.767 1.00 0.00 C ATOM 0 HA PRO A 102 -3.668 7.685 -14.901 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.146 6.017 -16.761 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.053 7.325 -17.165 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.525 4.618 -17.687 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.293 5.862 -17.616 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.078 3.857 -15.508 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.492 4.506 -15.871 1.00 0.00 H new ATOM 1574 N ALA A 103 -5.965 7.141 -13.956 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.260 6.799 -13.405 1.00 0.00 C ATOM 1576 C ALA A 103 -8.256 7.931 -13.652 1.00 0.00 C ATOM 1577 O ALA A 103 -7.883 9.013 -14.111 1.00 0.00 O ATOM 1578 CB ALA A 103 -7.082 6.521 -11.912 1.00 0.00 C ATOM 0 H ALA A 103 -5.799 8.143 -14.053 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.661 5.910 -13.891 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.045 6.261 -11.473 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.386 5.693 -11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.688 7.411 -11.421 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.518 7.696 -13.303 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.524 8.743 -13.121 1.00 0.00 C ATOM 1586 C ASN A 104 -10.131 9.623 -11.935 1.00 0.00 C ATOM 1587 O ASN A 104 -9.224 9.284 -11.165 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.954 8.189 -12.918 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.185 6.806 -13.480 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.697 6.652 -14.583 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.831 5.782 -12.728 1.00 0.00 N ATOM 0 H ASN A 104 -9.878 6.757 -13.135 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.548 9.328 -14.041 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.174 8.173 -11.851 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.663 8.876 -13.379 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.981 4.829 -13.060 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.407 5.943 -11.814 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.932 10.654 -11.685 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.957 11.387 -10.418 1.00 0.00 C ATOM 1600 C ASP A 105 -11.429 10.508 -9.248 1.00 0.00 C ATOM 1601 O ASP A 105 -11.525 10.978 -8.114 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.860 12.628 -10.550 1.00 0.00 C ATOM 1603 CG ASP A 105 -11.186 13.953 -10.173 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -10.081 13.960 -9.578 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -11.768 15.019 -10.494 1.00 0.00 O ATOM 0 H ASP A 105 -11.597 11.013 -12.370 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.936 11.698 -10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.214 12.696 -11.579 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.738 12.490 -9.919 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.766 9.230 -9.484 1.00 0.00 N ATOM 1611 CA ASP A 106 -12.133 8.332 -8.408 1.00 0.00 C ATOM 1612 C ASP A 106 -10.886 7.915 -7.645 1.00 0.00 C ATOM 1613 O ASP A 106 -10.153 7.019 -8.072 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.915 7.109 -8.898 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.654 6.594 -7.667 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -14.646 7.246 -7.279 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.136 5.692 -6.975 1.00 0.00 O ATOM 0 H ASP A 106 -11.788 8.808 -10.412 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.804 8.872 -7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.611 7.378 -9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -12.247 6.350 -9.304 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.562 8.612 -6.558 1.00 0.00 N ATOM 1623 CA LYS A 107 -9.286 8.376 -5.884 1.00 0.00 C ATOM 1624 C LYS A 107 -9.234 6.992 -5.245 1.00 0.00 C ATOM 1625 O LYS A 107 -8.147 6.434 -5.145 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.948 9.498 -4.899 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.787 10.854 -5.601 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.609 11.022 -6.567 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.294 11.061 -5.817 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.089 12.289 -5.027 1.00 0.00 N ATOM 0 H LYS A 107 -11.149 9.329 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.505 8.392 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.735 9.570 -4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.026 9.252 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.705 11.057 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.702 11.622 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.600 10.199 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.732 11.941 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.242 10.200 -5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.477 10.961 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.104 12.329 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.290 13.120 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.729 12.285 -4.207 1.00 0.00 H new ATOM 1644 N CYS A 108 -10.386 6.397 -4.918 1.00 0.00 N ATOM 1645 CA CYS A 108 -10.431 5.004 -4.519 1.00 0.00 C ATOM 1646 C CYS A 108 -9.871 4.135 -5.646 1.00 0.00 C ATOM 1647 O CYS A 108 -8.945 3.369 -5.400 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.848 4.569 -4.129 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.678 5.477 -2.802 1.00 0.00 S ATOM 0 H CYS A 108 -11.292 6.865 -4.925 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.813 4.876 -3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -12.474 4.632 -5.019 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.808 3.519 -3.841 1.00 0.00 H new ATOM 1654 N ILE A 109 -10.405 4.258 -6.867 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.968 3.481 -8.034 1.00 0.00 C ATOM 1656 C ILE A 109 -8.477 3.734 -8.316 1.00 0.00 C ATOM 1657 O ILE A 109 -7.734 2.801 -8.621 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.826 3.839 -9.251 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -12.308 3.454 -9.053 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -10.261 3.362 -10.599 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.813 2.183 -9.719 1.00 0.00 C ATOM 0 H ILE A 109 -11.163 4.908 -7.075 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.096 2.419 -7.824 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.782 4.926 -9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.489 3.364 -7.982 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.919 4.283 -9.411 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.935 3.660 -11.402 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.281 3.811 -10.762 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.166 2.276 -10.590 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.870 2.047 -9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.684 2.262 -10.798 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.248 1.328 -9.348 1.00 0.00 H new ATOM 1673 N TRP A 110 -8.050 4.998 -8.259 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.705 5.438 -8.501 1.00 0.00 C ATOM 1675 C TRP A 110 -5.712 4.743 -7.573 1.00 0.00 C ATOM 1676 O TRP A 110 -4.870 3.991 -8.065 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.686 6.958 -8.367 1.00 0.00 C ATOM 1678 CG TRP A 110 -5.336 7.528 -8.474 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -4.479 7.376 -9.496 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.615 8.191 -7.421 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -3.285 7.999 -9.181 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -3.318 8.513 -7.897 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.955 8.523 -6.101 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -2.416 9.217 -7.094 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -4.012 9.146 -5.268 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.765 9.534 -5.781 1.00 0.00 C ATOM 0 H TRP A 110 -8.678 5.769 -8.030 1.00 0.00 H new ATOM 0 HA TRP A 110 -6.386 5.165 -9.507 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -7.320 7.393 -9.139 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -7.117 7.238 -7.406 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.688 6.851 -10.417 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.486 8.070 -9.812 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.943 8.299 -5.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -1.455 9.514 -7.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -4.247 9.327 -4.230 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.073 10.080 -5.157 1.00 0.00 H new ATOM 1697 N THR A 111 -5.811 4.951 -6.260 1.00 0.00 N ATOM 1698 CA THR A 111 -4.877 4.365 -5.311 1.00 0.00 C ATOM 1699 C THR A 111 -4.922 2.837 -5.391 1.00 0.00 C ATOM 1700 O THR A 111 -3.876 2.193 -5.260 1.00 0.00 O ATOM 1701 CB THR A 111 -5.183 4.901 -3.905 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.118 6.307 -3.955 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.203 4.342 -2.865 1.00 0.00 C ATOM 0 H THR A 111 -6.536 5.526 -5.831 1.00 0.00 H new ATOM 0 HA THR A 111 -3.856 4.654 -5.559 1.00 0.00 H new ATOM 0 HB THR A 111 -6.178 4.580 -3.597 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.948 6.594 -4.876 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.449 4.742 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.277 3.255 -2.843 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.186 4.631 -3.131 1.00 0.00 H new ATOM 1711 N LEU A 112 -6.095 2.244 -5.666 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.246 0.828 -6.013 1.00 0.00 C ATOM 1713 C LEU A 112 -5.201 0.460 -7.079 1.00 0.00 C ATOM 1714 O LEU A 112 -4.385 -0.432 -6.849 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.726 0.525 -6.367 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.956 -0.470 -7.495 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.492 -1.897 -7.219 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.410 -0.509 -7.976 1.00 0.00 C ATOM 0 H LEU A 112 -6.981 2.749 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.035 0.172 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.222 0.150 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.214 1.463 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.316 -0.072 -8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.703 -2.522 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.420 -1.899 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.021 -2.290 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.508 -1.238 -8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.060 -0.793 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.699 0.476 -8.342 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.168 1.178 -8.205 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.231 0.961 -9.299 1.00 0.00 C ATOM 1732 C GLY A 113 -2.773 1.127 -8.882 1.00 0.00 C ATOM 1733 O GLY A 113 -1.930 0.352 -9.340 1.00 0.00 O ATOM 0 H GLY A 113 -5.814 1.948 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.376 -0.042 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.454 1.661 -10.104 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.468 2.095 -8.015 1.00 0.00 N ATOM 1738 CA VAL A 114 -1.115 2.296 -7.497 1.00 0.00 C ATOM 1739 C VAL A 114 -0.648 1.052 -6.721 1.00 0.00 C ATOM 1740 O VAL A 114 0.522 0.683 -6.807 1.00 0.00 O ATOM 1741 CB VAL A 114 -1.034 3.602 -6.670 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.381 3.878 -6.133 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.466 4.816 -7.513 1.00 0.00 C ATOM 0 H VAL A 114 -3.152 2.760 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.423 2.420 -8.330 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.710 3.459 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.379 4.806 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.693 3.056 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.076 3.968 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.400 5.721 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.811 4.909 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.494 4.678 -7.849 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.539 0.351 -6.010 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.184 -0.941 -5.435 1.00 0.00 C ATOM 1755 C ALA A 115 -1.071 -2.011 -6.521 1.00 0.00 C ATOM 1756 O ALA A 115 -0.156 -2.826 -6.444 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.171 -1.368 -4.350 1.00 0.00 C ATOM 0 H ALA A 115 -2.495 0.655 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.208 -0.829 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.872 -2.335 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.176 -0.627 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.170 -1.447 -4.778 1.00 0.00 H new ATOM 1763 N THR A 116 -1.950 -2.041 -7.528 1.00 0.00 N ATOM 1764 CA THR A 116 -1.992 -3.147 -8.483 1.00 0.00 C ATOM 1765 C THR A 116 -0.672 -3.296 -9.254 1.00 0.00 C ATOM 1766 O THR A 116 -0.216 -4.434 -9.449 1.00 0.00 O ATOM 1767 CB THR A 116 -3.211 -3.041 -9.421 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.341 -2.529 -8.750 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.654 -4.416 -9.933 1.00 0.00 C ATOM 0 H THR A 116 -2.641 -1.311 -7.701 1.00 0.00 H new ATOM 0 HA THR A 116 -2.115 -4.064 -7.907 1.00 0.00 H new ATOM 0 HB THR A 116 -2.887 -2.389 -10.232 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.095 -2.473 -9.374 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.515 -4.299 -10.591 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.836 -4.880 -10.485 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.926 -5.049 -9.088 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.047 -2.183 -9.664 1.00 0.00 N ATOM 1778 CA CYS A 117 1.294 -2.181 -10.245 1.00 0.00 C ATOM 1779 C CYS A 117 2.319 -2.598 -9.192 1.00 0.00 C ATOM 1780 O CYS A 117 2.993 -3.609 -9.371 1.00 0.00 O ATOM 1781 CB CYS A 117 1.659 -0.810 -10.825 1.00 0.00 C ATOM 1782 SG CYS A 117 1.311 0.622 -9.781 1.00 0.00 S ATOM 0 H CYS A 117 -0.465 -1.255 -9.599 1.00 0.00 H new ATOM 0 HA CYS A 117 1.304 -2.899 -11.065 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.723 -0.811 -11.060 1.00 0.00 H new ATOM 0 HB3 CYS A 117 1.125 -0.684 -11.767 1.00 0.00 H new ATOM 1787 N PHE A 118 2.415 -1.847 -8.090 1.00 0.00 N ATOM 1788 CA PHE A 118 3.404 -2.034 -7.036 1.00 0.00 C ATOM 1789 C PHE A 118 3.462 -3.492 -6.591 1.00 0.00 C ATOM 1790 O PHE A 118 4.530 -4.094 -6.620 1.00 0.00 O ATOM 1791 CB PHE A 118 3.064 -1.084 -5.885 1.00 0.00 C ATOM 1792 CG PHE A 118 3.858 -1.267 -4.609 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.223 -0.926 -4.557 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.202 -1.693 -3.438 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.909 -0.941 -3.333 1.00 0.00 C ATOM 1796 CE2 PHE A 118 3.895 -1.724 -2.219 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.244 -1.341 -2.163 1.00 0.00 C ATOM 0 H PHE A 118 1.783 -1.068 -7.906 1.00 0.00 H new ATOM 0 HA PHE A 118 4.401 -1.795 -7.406 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.206 -0.061 -6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.006 -1.197 -5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.744 -0.652 -5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.166 -1.996 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.947 -0.645 -3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.389 -2.044 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.770 -1.354 -1.220 1.00 0.00 H new ATOM 1807 N LYS A 119 2.310 -4.096 -6.282 1.00 0.00 N ATOM 1808 CA LYS A 119 2.136 -5.516 -5.983 1.00 0.00 C ATOM 1809 C LYS A 119 2.950 -6.370 -6.940 1.00 0.00 C ATOM 1810 O LYS A 119 3.738 -7.203 -6.503 1.00 0.00 O ATOM 1811 CB LYS A 119 0.637 -5.863 -6.068 1.00 0.00 C ATOM 1812 CG LYS A 119 0.286 -7.342 -5.805 1.00 0.00 C ATOM 1813 CD LYS A 119 0.309 -8.324 -6.997 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.923 -8.338 -7.912 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.348 -7.016 -8.414 1.00 0.00 N ATOM 0 H LYS A 119 1.432 -3.580 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 119 2.496 -5.725 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.097 -5.246 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.274 -5.591 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.977 -7.719 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.712 -7.374 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.182 -8.095 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 119 0.450 -9.331 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.715 -8.983 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.754 -8.787 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.073 -7.141 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.742 -6.457 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.529 -6.518 -8.816 1.00 0.00 H new ATOM 1829 N ALA A 120 2.734 -6.201 -8.243 1.00 0.00 N ATOM 1830 CA ALA A 120 3.329 -7.065 -9.243 1.00 0.00 C ATOM 1831 C ALA A 120 4.855 -6.999 -9.190 1.00 0.00 C ATOM 1832 O ALA A 120 5.522 -8.004 -9.442 1.00 0.00 O ATOM 1833 CB ALA A 120 2.796 -6.675 -10.619 1.00 0.00 C ATOM 0 H ALA A 120 2.144 -5.463 -8.627 1.00 0.00 H new ATOM 0 HA ALA A 120 3.053 -8.099 -9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.239 -7.321 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.712 -6.788 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.056 -5.637 -10.829 1.00 0.00 H new ATOM 1839 N GLU A 121 5.394 -5.834 -8.844 1.00 0.00 N ATOM 1840 CA GLU A 121 6.813 -5.583 -8.685 1.00 0.00 C ATOM 1841 C GLU A 121 7.323 -6.300 -7.424 1.00 0.00 C ATOM 1842 O GLU A 121 8.410 -6.875 -7.467 1.00 0.00 O ATOM 1843 CB GLU A 121 7.074 -4.066 -8.627 1.00 0.00 C ATOM 1844 CG GLU A 121 6.421 -3.253 -9.772 1.00 0.00 C ATOM 1845 CD GLU A 121 7.399 -2.954 -10.899 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.295 -2.097 -10.715 1.00 0.00 O ATOM 1847 OE2 GLU A 121 7.345 -3.670 -11.928 1.00 0.00 O ATOM 0 H GLU A 121 4.825 -5.007 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 121 7.360 -5.978 -9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.708 -3.684 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.150 -3.895 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.571 -3.808 -10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.032 -2.316 -9.373 1.00 0.00 H new ATOM 1854 N ILE A 122 6.550 -6.335 -6.324 1.00 0.00 N ATOM 1855 CA ILE A 122 6.918 -7.034 -5.090 1.00 0.00 C ATOM 1856 C ILE A 122 7.043 -8.533 -5.365 1.00 0.00 C ATOM 1857 O ILE A 122 8.004 -9.171 -4.931 1.00 0.00 O ATOM 1858 CB ILE A 122 5.886 -6.779 -3.962 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.481 -5.318 -3.740 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.398 -7.310 -2.625 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.658 -4.338 -3.799 1.00 0.00 C ATOM 0 H ILE A 122 5.643 -5.872 -6.271 1.00 0.00 H new ATOM 0 HA ILE A 122 7.878 -6.645 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 122 5.001 -7.309 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.746 -5.035 -4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.993 -5.229 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.656 -7.119 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.574 -8.383 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.330 -6.808 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.295 -3.324 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.384 -4.594 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.133 -4.398 -4.778 1.00 0.00 H new ATOM 1873 N HIS A 123 6.069 -9.099 -6.082 1.00 0.00 N ATOM 1874 CA HIS A 123 6.097 -10.502 -6.474 1.00 0.00 C ATOM 1875 C HIS A 123 7.365 -10.801 -7.284 1.00 0.00 C ATOM 1876 O HIS A 123 8.051 -11.780 -6.987 1.00 0.00 O ATOM 1877 CB HIS A 123 4.817 -10.876 -7.235 1.00 0.00 C ATOM 1878 CG HIS A 123 3.627 -11.118 -6.334 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.059 -12.345 -6.072 1.00 0.00 N ATOM 1880 CD2 HIS A 123 2.945 -10.192 -5.590 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.048 -12.161 -5.210 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.931 -10.860 -4.901 1.00 0.00 N ATOM 0 H HIS A 123 5.243 -8.595 -6.404 1.00 0.00 H new ATOM 0 HA HIS A 123 6.128 -11.124 -5.579 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.575 -10.078 -7.937 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.004 -11.773 -7.825 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.154 -9.133 -5.544 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.418 -12.947 -4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.236 -10.441 -4.283 1.00 0.00 H new ATOM 1890 N LYS A 124 7.725 -9.951 -8.257 1.00 0.00 N ATOM 1891 CA LYS A 124 8.965 -10.096 -9.030 1.00 0.00 C ATOM 1892 C LYS A 124 10.196 -10.062 -8.128 1.00 0.00 C ATOM 1893 O LYS A 124 11.080 -10.905 -8.274 1.00 0.00 O ATOM 1894 CB LYS A 124 9.055 -9.004 -10.106 1.00 0.00 C ATOM 1895 CG LYS A 124 8.105 -9.322 -11.261 1.00 0.00 C ATOM 1896 CD LYS A 124 7.930 -8.127 -12.205 1.00 0.00 C ATOM 1897 CE LYS A 124 6.949 -8.452 -13.335 1.00 0.00 C ATOM 1898 NZ LYS A 124 7.494 -9.424 -14.302 1.00 0.00 N ATOM 0 H LYS A 124 7.164 -9.144 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 124 8.941 -11.070 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.803 -8.036 -9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.078 -8.931 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.489 -10.174 -11.822 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.134 -9.614 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.569 -7.266 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.896 -7.849 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.028 -8.849 -12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 124 6.687 -7.533 -13.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.803 -9.582 -15.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.377 -9.052 -14.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.687 -10.324 -13.818 1.00 0.00 H new ATOM 1912 N LEU A 125 10.226 -9.129 -7.177 1.00 0.00 N ATOM 1913 CA LEU A 125 11.282 -8.996 -6.170 1.00 0.00 C ATOM 1914 C LEU A 125 11.342 -10.190 -5.207 1.00 0.00 C ATOM 1915 O LEU A 125 12.268 -10.278 -4.403 1.00 0.00 O ATOM 1916 CB LEU A 125 11.100 -7.688 -5.374 1.00 0.00 C ATOM 1917 CG LEU A 125 11.386 -6.432 -6.213 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.780 -5.181 -5.572 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.886 -6.222 -6.417 1.00 0.00 C ATOM 0 H LEU A 125 9.496 -8.423 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 125 12.228 -8.972 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.080 -7.640 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.763 -7.700 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 125 10.919 -6.593 -7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.001 -4.312 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.700 -5.302 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.207 -5.038 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.050 -5.325 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.372 -6.107 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.307 -7.084 -6.934 1.00 0.00 H new ATOM 1931 N ASN A 126 10.370 -11.108 -5.266 1.00 0.00 N ATOM 1932 CA ASN A 126 10.149 -12.198 -4.320 1.00 0.00 C ATOM 1933 C ASN A 126 9.985 -11.688 -2.883 1.00 0.00 C ATOM 1934 O ASN A 126 10.206 -12.410 -1.915 1.00 0.00 O ATOM 1935 CB ASN A 126 11.231 -13.278 -4.469 1.00 0.00 C ATOM 1936 CG ASN A 126 10.633 -14.675 -4.409 1.00 0.00 C ATOM 1937 OD1 ASN A 126 10.107 -15.116 -3.391 1.00 0.00 O ATOM 1938 ND2 ASN A 126 10.661 -15.402 -5.514 1.00 0.00 N ATOM 0 H ASN A 126 9.681 -11.106 -6.018 1.00 0.00 H new ATOM 0 HA ASN A 126 9.200 -12.675 -4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.752 -13.144 -5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 126 11.972 -13.164 -3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 126 10.244 -16.333 -5.523 1.00 0.00 H new ATOM 0 HD22 ASN A 126 11.099 -15.031 -6.357 1.00 0.00 H new ATOM 1945 N TRP A 127 9.603 -10.420 -2.714 1.00 0.00 N ATOM 1946 CA TRP A 127 9.349 -9.813 -1.415 1.00 0.00 C ATOM 1947 C TRP A 127 7.921 -10.167 -0.958 1.00 0.00 C ATOM 1948 O TRP A 127 7.183 -9.299 -0.488 1.00 0.00 O ATOM 1949 CB TRP A 127 9.627 -8.300 -1.482 1.00 0.00 C ATOM 1950 CG TRP A 127 11.042 -7.825 -1.657 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.151 -8.592 -1.775 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.495 -6.443 -1.833 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.245 -7.786 -2.016 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.900 -6.450 -2.083 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.852 -5.185 -1.846 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.616 -5.272 -2.367 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.565 -3.998 -2.102 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.936 -4.043 -2.406 1.00 0.00 C ATOM 0 H TRP A 127 9.460 -9.778 -3.494 1.00 0.00 H new ATOM 0 HA TRP A 127 10.026 -10.211 -0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.040 -7.894 -2.306 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.241 -7.854 -0.565 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.176 -9.669 -1.693 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.196 -8.136 -2.131 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.790 -5.133 -1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.679 -5.312 -2.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 11.055 -3.047 -2.064 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.464 -3.138 -2.668 1.00 0.00 H new ATOM 1969 N ALA A 128 7.504 -11.431 -1.063 1.00 0.00 N ATOM 1970 CA ALA A 128 6.205 -11.924 -0.615 1.00 0.00 C ATOM 1971 C ALA A 128 6.435 -13.220 0.137 1.00 0.00 C ATOM 1972 O ALA A 128 7.164 -14.070 -0.413 1.00 0.00 O ATOM 1973 CB ALA A 128 5.284 -12.137 -1.822 1.00 0.00 C ATOM 0 H ALA A 128 8.083 -12.162 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 128 5.720 -11.202 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.316 -12.505 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.148 -11.192 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.732 -12.866 -2.497 1.00 0.00 H new