USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1003 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 THR OG1 : rot 82:sc= 1.03 USER MOD Set 1.2: A 95 THR OG1 : rot 89:sc= 0 USER MOD Single : A 6 SER OG : rot 150:sc= 0.818 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc=-0.00964 X(o=-0.0096,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.042) USER MOD Single : A 16 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 161:sc= 0.959 USER MOD Single : A 45 GLN : amide:sc= 0.00652 X(o=0.0065,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-4.8!) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.0704 (180deg=-0.527) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -54:sc= 0.291 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.484 X(o=0.48,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 71 CYS SG : rot 13:sc= 0.166 USER MOD Single : A 75 THR OG1 : rot -170:sc= -1.02 USER MOD Single : A 76 MET CE :methyl 150:sc= -0.566 (180deg=-2.22!) USER MOD Single : A 77 THR OG1 : rot -40:sc= 0.0588 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc=-0.00771 X(o=-0.0077,f=-0.078) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -131:sc= -0.369 (180deg=-2.88!) USER MOD Single : A 99 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.1!) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= -0.004 (180deg=-0.138) USER MOD Single : A 102 SER OG : rot 180:sc= -1.35 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.2!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0621 K(o=-0.062,f=-1.9) USER MOD Single : A 114 THR OG1 : rot -100:sc= -1.32 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 179:sc= -0.0871 (180deg=-0.0896) USER MOD Single : A 126 SER OG : rot 180:sc= -0.271 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -11.719 -7.961 -4.935 1.00 0.00 N ATOM 68 CA SER A 6 -11.938 -6.590 -5.365 1.00 0.00 C ATOM 69 C SER A 6 -13.081 -5.967 -4.561 1.00 0.00 C ATOM 70 O SER A 6 -14.202 -5.856 -5.054 1.00 0.00 O ATOM 71 CB SER A 6 -12.243 -6.524 -6.862 1.00 0.00 C ATOM 72 OG SER A 6 -11.099 -6.829 -7.654 1.00 0.00 O ATOM 0 HA SER A 6 -11.024 -6.024 -5.184 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.045 -7.223 -7.100 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.604 -5.527 -7.115 1.00 0.00 H new ATOM 0 HG SER A 6 -11.385 -7.241 -8.496 1.00 0.00 H new ATOM 78 N GLY A 7 -12.756 -5.575 -3.337 1.00 0.00 N ATOM 79 CA GLY A 7 -13.742 -4.965 -2.461 1.00 0.00 C ATOM 80 C GLY A 7 -13.336 -3.537 -2.090 1.00 0.00 C ATOM 81 O GLY A 7 -12.580 -2.894 -2.817 1.00 0.00 O ATOM 0 H GLY A 7 -11.825 -5.668 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.714 -4.954 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.850 -5.563 -1.556 1.00 0.00 H new ATOM 85 N LYS A 8 -13.857 -3.083 -0.959 1.00 0.00 N ATOM 86 CA LYS A 8 -13.558 -1.743 -0.483 1.00 0.00 C ATOM 87 C LYS A 8 -12.938 -1.830 0.913 1.00 0.00 C ATOM 88 O LYS A 8 -13.352 -2.649 1.731 1.00 0.00 O ATOM 89 CB LYS A 8 -14.807 -0.862 -0.547 1.00 0.00 C ATOM 90 CG LYS A 8 -14.511 0.456 -1.266 1.00 0.00 C ATOM 91 CD LYS A 8 -15.717 1.396 -1.208 1.00 0.00 C ATOM 92 CE LYS A 8 -16.439 1.445 -2.557 1.00 0.00 C ATOM 93 NZ LYS A 8 -17.646 0.589 -2.529 1.00 0.00 N ATOM 0 H LYS A 8 -14.484 -3.619 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.823 -1.263 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.605 -1.393 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.165 -0.658 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.647 0.938 -0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.251 0.257 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.407 1.061 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.389 2.398 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.720 2.472 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.767 1.112 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.124 0.633 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.370 -0.394 -2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.293 0.925 -1.787 1.00 0.00 H new ATOM 106 N TYR A 9 -11.954 -0.972 1.141 1.00 0.00 N ATOM 107 CA TYR A 9 -11.271 -0.942 2.425 1.00 0.00 C ATOM 108 C TYR A 9 -11.095 0.496 2.917 1.00 0.00 C ATOM 109 O TYR A 9 -10.989 1.423 2.114 1.00 0.00 O ATOM 110 CB TYR A 9 -9.892 -1.558 2.183 1.00 0.00 C ATOM 111 CG TYR A 9 -9.935 -2.970 1.598 1.00 0.00 C ATOM 112 CD1 TYR A 9 -10.558 -3.987 2.294 1.00 0.00 C ATOM 113 CD2 TYR A 9 -9.353 -3.229 0.374 1.00 0.00 C ATOM 114 CE1 TYR A 9 -10.599 -5.317 1.743 1.00 0.00 C ATOM 115 CE2 TYR A 9 -9.394 -4.558 -0.178 1.00 0.00 C ATOM 116 CZ TYR A 9 -10.014 -5.536 0.535 1.00 0.00 C ATOM 117 OH TYR A 9 -10.053 -6.793 0.014 1.00 0.00 O ATOM 0 H TYR A 9 -11.613 -0.293 0.460 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.844 -1.483 3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.331 -0.913 1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.346 -1.583 3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -11.015 -3.785 3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.866 -2.434 -0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.083 -6.122 2.277 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.943 -4.773 -1.136 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.597 -6.802 -0.853 1.00 0.00 H new ATOM 127 N GLN A 10 -11.072 0.638 4.234 1.00 0.00 N ATOM 128 CA GLN A 10 -10.910 1.947 4.844 1.00 0.00 C ATOM 129 C GLN A 10 -9.990 1.856 6.062 1.00 0.00 C ATOM 130 O GLN A 10 -10.151 0.972 6.901 1.00 0.00 O ATOM 131 CB GLN A 10 -12.266 2.546 5.224 1.00 0.00 C ATOM 132 CG GLN A 10 -12.696 3.614 4.215 1.00 0.00 C ATOM 133 CD GLN A 10 -14.171 3.975 4.396 1.00 0.00 C ATOM 134 OE1 GLN A 10 -14.535 4.847 5.167 1.00 0.00 O ATOM 135 NE2 GLN A 10 -15.000 3.257 3.642 1.00 0.00 N ATOM 0 H GLN A 10 -11.163 -0.132 4.896 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.448 2.611 4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.017 1.757 5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.208 2.984 6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.082 4.506 4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.528 3.250 3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.630 2.541 3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.005 3.423 3.690 1.00 0.00 H new ATOM 144 N LEU A 11 -9.044 2.783 6.121 1.00 0.00 N ATOM 145 CA LEU A 11 -8.098 2.818 7.223 1.00 0.00 C ATOM 146 C LEU A 11 -8.859 2.715 8.546 1.00 0.00 C ATOM 147 O LEU A 11 -9.908 3.336 8.712 1.00 0.00 O ATOM 148 CB LEU A 11 -7.204 4.054 7.122 1.00 0.00 C ATOM 149 CG LEU A 11 -7.744 5.328 7.775 1.00 0.00 C ATOM 150 CD1 LEU A 11 -9.123 5.686 7.219 1.00 0.00 C ATOM 151 CD2 LEU A 11 -7.756 5.200 9.300 1.00 0.00 C ATOM 0 H LEU A 11 -8.913 3.515 5.423 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.425 1.962 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.240 3.819 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.020 4.260 6.067 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.073 6.150 7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.484 6.595 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.051 5.848 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.818 4.870 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.144 6.119 9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.391 4.363 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.741 5.027 9.659 1.00 0.00 H new ATOM 163 N GLN A 12 -8.301 1.928 9.453 1.00 0.00 N ATOM 164 CA GLN A 12 -8.914 1.736 10.757 1.00 0.00 C ATOM 165 C GLN A 12 -8.028 2.331 11.853 1.00 0.00 C ATOM 166 O GLN A 12 -8.514 3.041 12.732 1.00 0.00 O ATOM 167 CB GLN A 12 -9.192 0.254 11.021 1.00 0.00 C ATOM 168 CG GLN A 12 -10.601 -0.130 10.564 1.00 0.00 C ATOM 169 CD GLN A 12 -11.625 0.129 11.670 1.00 0.00 C ATOM 170 OE1 GLN A 12 -11.653 -0.534 12.693 1.00 0.00 O ATOM 171 NE2 GLN A 12 -12.463 1.128 11.408 1.00 0.00 N ATOM 0 H GLN A 12 -7.431 1.415 9.311 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.871 2.258 10.767 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.457 -0.357 10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.081 0.043 12.085 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.868 0.442 9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.622 -1.183 10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.384 1.643 10.531 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.184 1.379 12.084 1.00 0.00 H new ATOM 180 N SER A 13 -6.743 2.021 11.765 1.00 0.00 N ATOM 181 CA SER A 13 -5.785 2.516 12.738 1.00 0.00 C ATOM 182 C SER A 13 -4.426 2.735 12.069 1.00 0.00 C ATOM 183 O SER A 13 -4.153 2.171 11.011 1.00 0.00 O ATOM 184 CB SER A 13 -5.648 1.550 13.917 1.00 0.00 C ATOM 185 OG SER A 13 -6.074 2.140 15.142 1.00 0.00 O ATOM 0 H SER A 13 -6.343 1.433 11.034 1.00 0.00 H new ATOM 0 HA SER A 13 -6.150 3.468 13.124 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.237 0.654 13.722 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.609 1.235 14.009 1.00 0.00 H new ATOM 0 HG SER A 13 -5.973 1.492 15.870 1.00 0.00 H new ATOM 191 N GLN A 14 -3.610 3.555 12.716 1.00 0.00 N ATOM 192 CA GLN A 14 -2.285 3.854 12.197 1.00 0.00 C ATOM 193 C GLN A 14 -1.299 4.060 13.348 1.00 0.00 C ATOM 194 O GLN A 14 -1.656 4.616 14.384 1.00 0.00 O ATOM 195 CB GLN A 14 -2.320 5.079 11.280 1.00 0.00 C ATOM 196 CG GLN A 14 -2.567 6.358 12.082 1.00 0.00 C ATOM 197 CD GLN A 14 -3.586 7.258 11.381 1.00 0.00 C ATOM 198 OE1 GLN A 14 -4.719 6.880 11.134 1.00 0.00 O ATOM 199 NE2 GLN A 14 -3.121 8.465 11.075 1.00 0.00 N ATOM 0 H GLN A 14 -3.840 4.021 13.594 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.948 3.005 11.603 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.377 5.161 10.740 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.105 4.956 10.533 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.927 6.102 13.078 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.629 6.897 12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.161 8.717 11.311 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.724 9.140 10.604 1.00 0.00 H new ATOM 208 N GLU A 15 -0.077 3.598 13.127 1.00 0.00 N ATOM 209 CA GLU A 15 0.964 3.723 14.132 1.00 0.00 C ATOM 210 C GLU A 15 2.119 4.574 13.599 1.00 0.00 C ATOM 211 O GLU A 15 2.756 4.211 12.611 1.00 0.00 O ATOM 212 CB GLU A 15 1.460 2.349 14.584 1.00 0.00 C ATOM 213 CG GLU A 15 2.208 2.444 15.915 1.00 0.00 C ATOM 214 CD GLU A 15 3.403 1.490 15.943 1.00 0.00 C ATOM 215 OE1 GLU A 15 4.549 1.926 15.758 1.00 0.00 O ATOM 216 OE2 GLU A 15 3.108 0.254 16.166 1.00 0.00 O ATOM 0 H GLU A 15 0.215 3.136 12.266 1.00 0.00 H new ATOM 0 HA GLU A 15 0.541 4.224 15.002 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.614 1.669 14.686 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.117 1.928 13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.551 3.467 16.071 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.530 2.207 16.735 1.00 0.00 H new ATOM 224 N ASN A 16 2.353 5.689 14.275 1.00 0.00 N ATOM 225 CA ASN A 16 3.418 6.594 13.881 1.00 0.00 C ATOM 226 C ASN A 16 3.450 6.703 12.355 1.00 0.00 C ATOM 227 O ASN A 16 4.439 6.337 11.723 1.00 0.00 O ATOM 228 CB ASN A 16 4.781 6.076 14.345 1.00 0.00 C ATOM 229 CG ASN A 16 5.141 6.638 15.722 1.00 0.00 C ATOM 230 OD1 ASN A 16 6.185 7.236 15.924 1.00 0.00 O ATOM 231 ND2 ASN A 16 4.220 6.413 16.656 1.00 0.00 N ATOM 0 H ASN A 16 1.822 5.986 15.094 1.00 0.00 H new ATOM 0 HA ASN A 16 3.224 7.563 14.341 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.766 4.987 14.385 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.546 6.357 13.622 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.367 6.748 17.608 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.367 5.905 16.420 1.00 0.00 H new ATOM 238 N PHE A 17 2.355 7.211 11.807 1.00 0.00 N ATOM 239 CA PHE A 17 2.245 7.374 10.367 1.00 0.00 C ATOM 240 C PHE A 17 3.044 8.589 9.891 1.00 0.00 C ATOM 241 O PHE A 17 3.690 8.541 8.845 1.00 0.00 O ATOM 242 CB PHE A 17 0.765 7.596 10.055 1.00 0.00 C ATOM 243 CG PHE A 17 0.402 7.387 8.583 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.362 6.131 8.064 1.00 0.00 C ATOM 245 CD2 PHE A 17 0.118 8.457 7.793 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.025 5.936 6.698 1.00 0.00 C ATOM 247 CE2 PHE A 17 -0.219 8.264 6.428 1.00 0.00 C ATOM 248 CZ PHE A 17 -0.258 7.007 5.909 1.00 0.00 C ATOM 0 H PHE A 17 1.537 7.515 12.334 1.00 0.00 H new ATOM 0 HA PHE A 17 2.639 6.493 9.860 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.170 6.917 10.666 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.491 8.610 10.346 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.587 5.281 8.691 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.149 9.455 8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.006 4.938 6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.444 9.114 5.802 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.514 6.860 4.870 1.00 0.00 H new ATOM 258 N GLU A 18 2.973 9.651 10.681 1.00 0.00 N ATOM 259 CA GLU A 18 3.680 10.877 10.352 1.00 0.00 C ATOM 260 C GLU A 18 5.192 10.651 10.421 1.00 0.00 C ATOM 261 O GLU A 18 5.962 11.394 9.814 1.00 0.00 O ATOM 262 CB GLU A 18 3.254 12.020 11.275 1.00 0.00 C ATOM 263 CG GLU A 18 3.840 11.839 12.677 1.00 0.00 C ATOM 264 CD GLU A 18 3.083 12.688 13.701 1.00 0.00 C ATOM 265 OE1 GLU A 18 2.173 12.183 14.374 1.00 0.00 O ATOM 266 OE2 GLU A 18 3.470 13.917 13.784 1.00 0.00 O ATOM 0 H GLU A 18 2.437 9.687 11.548 1.00 0.00 H new ATOM 0 HA GLU A 18 3.420 11.162 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.585 12.971 10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.166 12.059 11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.791 10.788 12.963 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.893 12.120 12.674 1.00 0.00 H new ATOM 274 N ALA A 19 5.572 9.621 11.164 1.00 0.00 N ATOM 275 CA ALA A 19 6.978 9.290 11.320 1.00 0.00 C ATOM 276 C ALA A 19 7.573 8.954 9.951 1.00 0.00 C ATOM 277 O ALA A 19 8.734 9.256 9.683 1.00 0.00 O ATOM 278 CB ALA A 19 7.123 8.138 12.316 1.00 0.00 C ATOM 0 H ALA A 19 4.931 9.005 11.664 1.00 0.00 H new ATOM 0 HA ALA A 19 7.530 10.140 11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.178 7.889 12.433 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.711 8.436 13.280 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.584 7.266 11.945 1.00 0.00 H new ATOM 284 N PHE A 20 6.749 8.334 9.119 1.00 0.00 N ATOM 285 CA PHE A 20 7.179 7.955 7.783 1.00 0.00 C ATOM 286 C PHE A 20 7.483 9.190 6.934 1.00 0.00 C ATOM 287 O PHE A 20 8.272 9.122 5.992 1.00 0.00 O ATOM 288 CB PHE A 20 6.023 7.183 7.144 1.00 0.00 C ATOM 289 CG PHE A 20 6.459 6.199 6.056 1.00 0.00 C ATOM 290 CD1 PHE A 20 6.677 6.640 4.788 1.00 0.00 C ATOM 291 CD2 PHE A 20 6.629 4.884 6.357 1.00 0.00 C ATOM 292 CE1 PHE A 20 7.081 5.728 3.778 1.00 0.00 C ATOM 293 CE2 PHE A 20 7.033 3.971 5.347 1.00 0.00 C ATOM 294 CZ PHE A 20 7.251 4.413 4.079 1.00 0.00 C ATOM 0 H PHE A 20 5.786 8.085 9.344 1.00 0.00 H new ATOM 0 HA PHE A 20 8.087 7.355 7.840 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.491 6.636 7.922 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.318 7.894 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.543 7.685 4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.457 4.534 7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.253 6.078 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.167 2.926 5.585 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.559 3.719 3.311 1.00 0.00 H new ATOM 304 N MET A 21 6.840 10.291 7.295 1.00 0.00 N ATOM 305 CA MET A 21 7.032 11.540 6.578 1.00 0.00 C ATOM 306 C MET A 21 8.272 12.279 7.086 1.00 0.00 C ATOM 307 O MET A 21 9.031 12.839 6.296 1.00 0.00 O ATOM 308 CB MET A 21 5.800 12.428 6.760 1.00 0.00 C ATOM 309 CG MET A 21 4.513 11.603 6.676 1.00 0.00 C ATOM 310 SD MET A 21 4.519 10.611 5.193 1.00 0.00 S ATOM 311 CE MET A 21 2.765 10.341 4.994 1.00 0.00 C ATOM 0 H MET A 21 6.185 10.344 8.075 1.00 0.00 H new ATOM 0 HA MET A 21 7.174 11.312 5.522 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.850 12.933 7.725 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.790 13.204 5.994 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.425 10.961 7.552 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.647 12.264 6.677 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.589 9.733 4.106 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.375 9.824 5.871 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.259 11.300 4.883 1.00 0.00 H new ATOM 321 N LYS A 22 8.440 12.255 8.399 1.00 0.00 N ATOM 322 CA LYS A 22 9.575 12.916 9.021 1.00 0.00 C ATOM 323 C LYS A 22 10.850 12.128 8.711 1.00 0.00 C ATOM 324 O LYS A 22 11.952 12.670 8.782 1.00 0.00 O ATOM 325 CB LYS A 22 9.325 13.118 10.516 1.00 0.00 C ATOM 326 CG LYS A 22 8.170 14.094 10.751 1.00 0.00 C ATOM 327 CD LYS A 22 8.414 14.942 12.001 1.00 0.00 C ATOM 328 CE LYS A 22 8.009 14.182 13.267 1.00 0.00 C ATOM 329 NZ LYS A 22 7.031 14.968 14.052 1.00 0.00 N ATOM 0 H LYS A 22 7.809 11.788 9.050 1.00 0.00 H new ATOM 0 HA LYS A 22 9.708 13.915 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.097 12.160 10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.229 13.498 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.056 14.744 9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.238 13.540 10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.467 15.217 12.059 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.846 15.870 11.932 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.577 13.218 12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.891 13.978 13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.767 14.439 14.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.456 15.877 14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.183 15.141 13.476 1.00 0.00 H new ATOM 342 N ALA A 23 10.658 10.860 8.376 1.00 0.00 N ATOM 343 CA ALA A 23 11.778 9.992 8.056 1.00 0.00 C ATOM 344 C ALA A 23 12.454 10.489 6.776 1.00 0.00 C ATOM 345 O ALA A 23 13.680 10.544 6.698 1.00 0.00 O ATOM 346 CB ALA A 23 11.287 8.549 7.935 1.00 0.00 C ATOM 0 H ALA A 23 9.743 10.413 8.319 1.00 0.00 H new ATOM 0 HA ALA A 23 12.523 10.017 8.852 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.127 7.898 7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.843 8.235 8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.540 8.484 7.144 1.00 0.00 H new ATOM 352 N ILE A 24 11.623 10.837 5.805 1.00 0.00 N ATOM 353 CA ILE A 24 12.124 11.327 4.531 1.00 0.00 C ATOM 354 C ILE A 24 12.332 12.841 4.618 1.00 0.00 C ATOM 355 O ILE A 24 13.109 13.409 3.853 1.00 0.00 O ATOM 356 CB ILE A 24 11.199 10.900 3.390 1.00 0.00 C ATOM 357 CG1 ILE A 24 10.111 11.946 3.144 1.00 0.00 C ATOM 358 CG2 ILE A 24 10.610 9.511 3.653 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.270 11.585 1.918 1.00 0.00 C ATOM 0 H ILE A 24 10.606 10.790 5.874 1.00 0.00 H new ATOM 0 HA ILE A 24 13.094 10.882 4.308 1.00 0.00 H new ATOM 0 HB ILE A 24 11.791 10.832 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.468 12.020 4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.569 12.925 3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.956 9.231 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.417 8.784 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.037 9.528 4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.504 12.345 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.912 11.535 1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.794 10.617 2.075 1.00 0.00 H new ATOM 371 N GLY A 25 11.625 13.450 5.560 1.00 0.00 N ATOM 372 CA GLY A 25 11.724 14.886 5.757 1.00 0.00 C ATOM 373 C GLY A 25 10.563 15.613 5.075 1.00 0.00 C ATOM 374 O GLY A 25 10.779 16.458 4.208 1.00 0.00 O ATOM 0 H GLY A 25 10.982 12.975 6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.723 15.112 6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.671 15.248 5.356 1.00 0.00 H new ATOM 378 N LEU A 26 9.357 15.259 5.494 1.00 0.00 N ATOM 379 CA LEU A 26 8.161 15.867 4.934 1.00 0.00 C ATOM 380 C LEU A 26 7.744 17.054 5.805 1.00 0.00 C ATOM 381 O LEU A 26 8.027 17.081 7.001 1.00 0.00 O ATOM 382 CB LEU A 26 7.062 14.820 4.753 1.00 0.00 C ATOM 383 CG LEU A 26 6.503 14.672 3.337 1.00 0.00 C ATOM 384 CD1 LEU A 26 7.167 13.503 2.605 1.00 0.00 C ATOM 385 CD2 LEU A 26 4.978 14.541 3.360 1.00 0.00 C ATOM 0 H LEU A 26 9.182 14.559 6.215 1.00 0.00 H new ATOM 0 HA LEU A 26 8.362 16.258 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.453 13.853 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.239 15.067 5.423 1.00 0.00 H new ATOM 0 HG LEU A 26 6.740 15.578 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.752 13.420 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.241 13.677 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.982 12.579 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.606 14.437 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.697 13.662 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.543 15.431 3.816 1.00 0.00 H new ATOM 397 N PRO A 27 7.059 18.032 5.153 1.00 0.00 N ATOM 398 CA PRO A 27 6.599 19.218 5.854 1.00 0.00 C ATOM 399 C PRO A 27 5.384 18.902 6.729 1.00 0.00 C ATOM 400 O PRO A 27 4.803 17.824 6.622 1.00 0.00 O ATOM 401 CB PRO A 27 6.298 20.230 4.760 1.00 0.00 C ATOM 402 CG PRO A 27 6.154 19.426 3.478 1.00 0.00 C ATOM 403 CD PRO A 27 6.706 18.034 3.736 1.00 0.00 C ATOM 0 HA PRO A 27 7.342 19.611 6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.384 20.782 4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.101 20.963 4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.108 19.372 3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.696 19.906 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.965 17.266 3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.576 17.831 3.111 1.00 0.00 H new ATOM 411 N GLU A 28 5.037 19.862 7.573 1.00 0.00 N ATOM 412 CA GLU A 28 3.902 19.700 8.466 1.00 0.00 C ATOM 413 C GLU A 28 2.592 19.890 7.697 1.00 0.00 C ATOM 414 O GLU A 28 1.546 19.397 8.116 1.00 0.00 O ATOM 415 CB GLU A 28 3.990 20.668 9.647 1.00 0.00 C ATOM 416 CG GLU A 28 4.066 22.117 9.164 1.00 0.00 C ATOM 417 CD GLU A 28 5.241 22.851 9.814 1.00 0.00 C ATOM 418 OE1 GLU A 28 6.295 22.242 10.053 1.00 0.00 O ATOM 419 OE2 GLU A 28 5.032 24.098 10.070 1.00 0.00 O ATOM 0 H GLU A 28 5.522 20.755 7.658 1.00 0.00 H new ATOM 0 HA GLU A 28 3.922 18.687 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.120 20.541 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.869 20.435 10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.175 22.137 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.135 22.632 9.401 1.00 0.00 H new ATOM 427 N GLU A 29 2.692 20.609 6.589 1.00 0.00 N ATOM 428 CA GLU A 29 1.529 20.870 5.759 1.00 0.00 C ATOM 429 C GLU A 29 0.979 19.562 5.187 1.00 0.00 C ATOM 430 O GLU A 29 -0.223 19.309 5.251 1.00 0.00 O ATOM 431 CB GLU A 29 1.864 21.859 4.640 1.00 0.00 C ATOM 432 CG GLU A 29 0.846 21.766 3.503 1.00 0.00 C ATOM 433 CD GLU A 29 0.513 23.153 2.950 1.00 0.00 C ATOM 434 OE1 GLU A 29 1.290 23.706 2.157 1.00 0.00 O ATOM 435 OE2 GLU A 29 -0.597 23.656 3.369 1.00 0.00 O ATOM 0 H GLU A 29 3.561 21.019 6.247 1.00 0.00 H new ATOM 0 HA GLU A 29 0.758 21.324 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.878 22.873 5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.863 21.654 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.243 21.138 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.064 21.286 3.863 1.00 0.00 H new ATOM 443 N LEU A 30 1.885 18.765 4.641 1.00 0.00 N ATOM 444 CA LEU A 30 1.506 17.489 4.057 1.00 0.00 C ATOM 445 C LEU A 30 1.140 16.512 5.176 1.00 0.00 C ATOM 446 O LEU A 30 0.222 15.708 5.026 1.00 0.00 O ATOM 447 CB LEU A 30 2.608 16.976 3.128 1.00 0.00 C ATOM 448 CG LEU A 30 2.640 17.585 1.725 1.00 0.00 C ATOM 449 CD1 LEU A 30 4.040 17.488 1.116 1.00 0.00 C ATOM 450 CD2 LEU A 30 1.578 16.947 0.826 1.00 0.00 C ATOM 0 H LEU A 30 2.881 18.978 4.590 1.00 0.00 H new ATOM 0 HA LEU A 30 0.622 17.604 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.571 17.159 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.500 15.896 3.031 1.00 0.00 H new ATOM 0 HG LEU A 30 2.398 18.645 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.034 17.928 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.749 18.025 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.336 16.441 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.622 17.398 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.764 15.876 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.590 17.112 1.256 1.00 0.00 H new ATOM 462 N ILE A 31 1.879 16.612 6.272 1.00 0.00 N ATOM 463 CA ILE A 31 1.643 15.747 7.414 1.00 0.00 C ATOM 464 C ILE A 31 0.285 16.084 8.033 1.00 0.00 C ATOM 465 O ILE A 31 -0.471 15.189 8.406 1.00 0.00 O ATOM 466 CB ILE A 31 2.808 15.835 8.402 1.00 0.00 C ATOM 467 CG1 ILE A 31 4.094 15.285 7.784 1.00 0.00 C ATOM 468 CG2 ILE A 31 2.464 15.139 9.720 1.00 0.00 C ATOM 469 CD1 ILE A 31 5.315 15.671 8.621 1.00 0.00 C ATOM 0 H ILE A 31 2.641 17.279 6.392 1.00 0.00 H new ATOM 0 HA ILE A 31 1.600 14.704 7.099 1.00 0.00 H new ATOM 0 HB ILE A 31 2.983 16.887 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.030 14.200 7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.208 15.669 6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.309 15.217 10.404 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.591 15.616 10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.246 14.088 9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.216 15.267 8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.391 16.757 8.675 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.210 15.264 9.627 1.00 0.00 H new ATOM 481 N GLN A 32 0.017 17.379 8.123 1.00 0.00 N ATOM 482 CA GLN A 32 -1.236 17.846 8.691 1.00 0.00 C ATOM 483 C GLN A 32 -2.395 17.546 7.738 1.00 0.00 C ATOM 484 O GLN A 32 -3.536 17.391 8.171 1.00 0.00 O ATOM 485 CB GLN A 32 -1.167 19.339 9.017 1.00 0.00 C ATOM 486 CG GLN A 32 -0.521 19.572 10.385 1.00 0.00 C ATOM 487 CD GLN A 32 -1.570 19.964 11.427 1.00 0.00 C ATOM 488 OE1 GLN A 32 -1.856 19.234 12.362 1.00 0.00 O ATOM 489 NE2 GLN A 32 -2.124 21.154 11.216 1.00 0.00 N ATOM 0 H GLN A 32 0.646 18.119 7.812 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.411 17.311 9.625 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.595 19.857 8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.171 19.764 9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.005 18.667 10.706 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.231 20.358 10.307 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.838 21.714 10.413 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.835 21.507 11.857 1.00 0.00 H new ATOM 498 N LYS A 33 -2.062 17.472 6.458 1.00 0.00 N ATOM 499 CA LYS A 33 -3.060 17.193 5.439 1.00 0.00 C ATOM 500 C LYS A 33 -3.395 15.700 5.455 1.00 0.00 C ATOM 501 O LYS A 33 -4.560 15.323 5.572 1.00 0.00 O ATOM 502 CB LYS A 33 -2.592 17.704 4.075 1.00 0.00 C ATOM 503 CG LYS A 33 -3.405 18.924 3.638 1.00 0.00 C ATOM 504 CD LYS A 33 -2.649 19.738 2.586 1.00 0.00 C ATOM 505 CE LYS A 33 -3.555 20.075 1.399 1.00 0.00 C ATOM 506 NZ LYS A 33 -2.746 20.497 0.234 1.00 0.00 N ATOM 0 H LYS A 33 -1.115 17.600 6.103 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.984 17.730 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.535 17.965 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.691 16.912 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.364 18.600 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.620 19.551 4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.273 20.658 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.783 19.175 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.157 19.206 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.247 20.870 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.376 20.722 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.190 21.339 0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.103 19.727 -0.040 1.00 0.00 H new ATOM 519 N GLY A 34 -2.353 14.891 5.335 1.00 0.00 N ATOM 520 CA GLY A 34 -2.521 13.448 5.334 1.00 0.00 C ATOM 521 C GLY A 34 -3.390 12.996 6.510 1.00 0.00 C ATOM 522 O GLY A 34 -4.207 12.088 6.370 1.00 0.00 O ATOM 0 H GLY A 34 -1.388 15.208 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.979 13.132 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.546 12.965 5.391 1.00 0.00 H new ATOM 526 N LYS A 35 -3.184 13.652 7.643 1.00 0.00 N ATOM 527 CA LYS A 35 -3.937 13.330 8.842 1.00 0.00 C ATOM 528 C LYS A 35 -5.427 13.559 8.581 1.00 0.00 C ATOM 529 O LYS A 35 -6.273 12.858 9.134 1.00 0.00 O ATOM 530 CB LYS A 35 -3.396 14.112 10.042 1.00 0.00 C ATOM 531 CG LYS A 35 -3.440 13.264 11.314 1.00 0.00 C ATOM 532 CD LYS A 35 -2.225 13.542 12.201 1.00 0.00 C ATOM 533 CE LYS A 35 -2.612 14.400 13.408 1.00 0.00 C ATOM 534 NZ LYS A 35 -1.406 14.991 14.030 1.00 0.00 N ATOM 0 H LYS A 35 -2.506 14.405 7.755 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.815 12.277 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.371 14.425 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.984 15.019 10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.355 13.478 11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.467 12.207 11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.796 12.600 12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.455 14.051 11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.293 15.192 13.096 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.145 13.791 14.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.685 15.570 14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.770 14.231 14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.914 15.588 13.335 1.00 0.00 H new ATOM 547 N ASP A 36 -5.702 14.543 7.737 1.00 0.00 N ATOM 548 CA ASP A 36 -7.076 14.873 7.395 1.00 0.00 C ATOM 549 C ASP A 36 -7.545 13.966 6.256 1.00 0.00 C ATOM 550 O ASP A 36 -8.689 14.061 5.814 1.00 0.00 O ATOM 551 CB ASP A 36 -7.192 16.324 6.923 1.00 0.00 C ATOM 552 CG ASP A 36 -8.586 16.939 7.061 1.00 0.00 C ATOM 553 OD1 ASP A 36 -9.436 16.432 7.808 1.00 0.00 O ATOM 554 OD2 ASP A 36 -8.788 17.998 6.353 1.00 0.00 O ATOM 0 H ASP A 36 -4.998 15.122 7.280 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.689 14.733 8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.486 16.932 7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.891 16.375 5.877 1.00 0.00 H new ATOM 560 N ILE A 37 -6.638 13.107 5.814 1.00 0.00 N ATOM 561 CA ILE A 37 -6.944 12.184 4.735 1.00 0.00 C ATOM 562 C ILE A 37 -7.060 10.766 5.300 1.00 0.00 C ATOM 563 O ILE A 37 -6.078 10.204 5.781 1.00 0.00 O ATOM 564 CB ILE A 37 -5.918 12.315 3.609 1.00 0.00 C ATOM 565 CG1 ILE A 37 -5.905 13.736 3.040 1.00 0.00 C ATOM 566 CG2 ILE A 37 -6.157 11.265 2.522 1.00 0.00 C ATOM 567 CD1 ILE A 37 -5.012 13.823 1.801 1.00 0.00 C ATOM 0 H ILE A 37 -5.691 13.031 6.184 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.907 12.429 4.286 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.929 12.126 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.920 14.038 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.548 14.432 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.413 11.381 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.074 10.268 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.154 11.397 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.021 14.843 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.992 13.544 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.386 13.144 1.035 1.00 0.00 H new ATOM 579 N LYS A 38 -8.270 10.230 5.222 1.00 0.00 N ATOM 580 CA LYS A 38 -8.526 8.889 5.718 1.00 0.00 C ATOM 581 C LYS A 38 -8.013 7.866 4.703 1.00 0.00 C ATOM 582 O LYS A 38 -8.569 7.737 3.613 1.00 0.00 O ATOM 583 CB LYS A 38 -10.006 8.721 6.068 1.00 0.00 C ATOM 584 CG LYS A 38 -10.858 8.604 4.801 1.00 0.00 C ATOM 585 CD LYS A 38 -12.206 9.304 4.981 1.00 0.00 C ATOM 586 CE LYS A 38 -12.193 10.693 4.339 1.00 0.00 C ATOM 587 NZ LYS A 38 -13.272 10.808 3.332 1.00 0.00 N ATOM 0 H LYS A 38 -9.083 10.700 4.823 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.981 8.716 6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.139 7.832 6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.343 9.572 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.325 9.044 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.019 7.553 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.996 8.700 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.435 9.392 6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.321 11.456 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.227 10.873 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.249 11.756 2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.133 10.092 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.193 10.657 3.791 1.00 0.00 H new ATOM 600 N GLY A 39 -6.960 7.165 5.096 1.00 0.00 N ATOM 601 CA GLY A 39 -6.367 6.158 4.233 1.00 0.00 C ATOM 602 C GLY A 39 -7.447 5.359 3.501 1.00 0.00 C ATOM 603 O GLY A 39 -8.070 4.473 4.083 1.00 0.00 O ATOM 0 H GLY A 39 -6.502 7.275 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.709 6.637 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.750 5.483 4.826 1.00 0.00 H new ATOM 607 N VAL A 40 -7.635 5.701 2.235 1.00 0.00 N ATOM 608 CA VAL A 40 -8.628 5.026 1.417 1.00 0.00 C ATOM 609 C VAL A 40 -7.952 4.453 0.170 1.00 0.00 C ATOM 610 O VAL A 40 -7.236 5.164 -0.534 1.00 0.00 O ATOM 611 CB VAL A 40 -9.775 5.984 1.089 1.00 0.00 C ATOM 612 CG1 VAL A 40 -10.730 5.366 0.067 1.00 0.00 C ATOM 613 CG2 VAL A 40 -10.521 6.401 2.357 1.00 0.00 C ATOM 0 H VAL A 40 -7.116 6.437 1.756 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.067 4.190 1.962 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.345 6.882 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.536 6.067 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.186 5.145 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.149 4.445 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.331 7.082 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.933 5.517 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.832 6.902 3.037 1.00 0.00 H new ATOM 623 N SER A 41 -8.203 3.173 -0.066 1.00 0.00 N ATOM 624 CA SER A 41 -7.627 2.497 -1.216 1.00 0.00 C ATOM 625 C SER A 41 -8.434 1.239 -1.540 1.00 0.00 C ATOM 626 O SER A 41 -8.847 0.511 -0.638 1.00 0.00 O ATOM 627 CB SER A 41 -6.161 2.138 -0.967 1.00 0.00 C ATOM 628 OG SER A 41 -5.691 1.149 -1.878 1.00 0.00 O ATOM 0 H SER A 41 -8.797 2.587 0.520 1.00 0.00 H new ATOM 0 HA SER A 41 -7.666 3.176 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.548 3.035 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.045 1.774 0.054 1.00 0.00 H new ATOM 0 HG SER A 41 -4.711 1.163 -1.899 1.00 0.00 H new ATOM 634 N GLU A 42 -8.634 1.019 -2.832 1.00 0.00 N ATOM 635 CA GLU A 42 -9.384 -0.139 -3.287 1.00 0.00 C ATOM 636 C GLU A 42 -8.466 -1.103 -4.041 1.00 0.00 C ATOM 637 O GLU A 42 -7.516 -0.677 -4.695 1.00 0.00 O ATOM 638 CB GLU A 42 -10.570 0.283 -4.156 1.00 0.00 C ATOM 639 CG GLU A 42 -11.788 0.624 -3.296 1.00 0.00 C ATOM 640 CD GLU A 42 -12.532 1.838 -3.855 1.00 0.00 C ATOM 641 OE1 GLU A 42 -12.091 2.980 -3.659 1.00 0.00 O ATOM 642 OE2 GLU A 42 -13.606 1.563 -4.515 1.00 0.00 O ATOM 0 H GLU A 42 -8.289 1.624 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.782 -0.656 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.293 1.148 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.823 -0.521 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.461 -0.233 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.470 0.827 -2.273 1.00 0.00 H new ATOM 650 N ILE A 43 -8.782 -2.385 -3.925 1.00 0.00 N ATOM 651 CA ILE A 43 -7.998 -3.412 -4.588 1.00 0.00 C ATOM 652 C ILE A 43 -8.714 -3.848 -5.867 1.00 0.00 C ATOM 653 O ILE A 43 -9.877 -4.248 -5.827 1.00 0.00 O ATOM 654 CB ILE A 43 -7.702 -4.564 -3.626 1.00 0.00 C ATOM 655 CG1 ILE A 43 -6.771 -4.111 -2.498 1.00 0.00 C ATOM 656 CG2 ILE A 43 -7.145 -5.776 -4.375 1.00 0.00 C ATOM 657 CD1 ILE A 43 -5.457 -3.563 -3.058 1.00 0.00 C ATOM 0 H ILE A 43 -9.571 -2.735 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.026 -3.017 -4.885 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.640 -4.873 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.264 -3.344 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.565 -4.950 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.943 -6.580 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.874 -6.115 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.220 -5.498 -4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.814 -3.248 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.955 -4.340 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.664 -2.709 -3.703 1.00 0.00 H new ATOM 669 N VAL A 44 -7.990 -3.758 -6.973 1.00 0.00 N ATOM 670 CA VAL A 44 -8.542 -4.138 -8.262 1.00 0.00 C ATOM 671 C VAL A 44 -7.891 -5.443 -8.725 1.00 0.00 C ATOM 672 O VAL A 44 -6.673 -5.513 -8.880 1.00 0.00 O ATOM 673 CB VAL A 44 -8.368 -2.994 -9.264 1.00 0.00 C ATOM 674 CG1 VAL A 44 -9.047 -3.324 -10.595 1.00 0.00 C ATOM 675 CG2 VAL A 44 -8.896 -1.678 -8.691 1.00 0.00 C ATOM 0 H VAL A 44 -7.026 -3.427 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.614 -4.320 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.301 -2.873 -9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.909 -2.495 -11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.604 -4.227 -11.015 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.112 -3.485 -10.430 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.760 -0.882 -9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.956 -1.781 -8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.348 -1.432 -7.781 1.00 0.00 H new ATOM 685 N GLN A 45 -8.733 -6.445 -8.934 1.00 0.00 N ATOM 686 CA GLN A 45 -8.255 -7.744 -9.377 1.00 0.00 C ATOM 687 C GLN A 45 -9.113 -8.260 -10.533 1.00 0.00 C ATOM 688 O GLN A 45 -10.285 -8.581 -10.345 1.00 0.00 O ATOM 689 CB GLN A 45 -8.235 -8.744 -8.219 1.00 0.00 C ATOM 690 CG GLN A 45 -7.840 -10.140 -8.707 1.00 0.00 C ATOM 691 CD GLN A 45 -6.580 -10.633 -7.996 1.00 0.00 C ATOM 692 OE1 GLN A 45 -6.605 -11.053 -6.851 1.00 0.00 O ATOM 693 NE2 GLN A 45 -5.477 -10.560 -8.737 1.00 0.00 N ATOM 0 H GLN A 45 -9.743 -6.383 -8.805 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.231 -7.631 -9.734 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.532 -8.409 -7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.218 -8.783 -7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.659 -10.837 -8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.669 -10.118 -9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.525 -10.198 -9.689 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.583 -10.866 -8.353 1.00 0.00 H new ATOM 702 N ASN A 46 -8.496 -8.323 -11.704 1.00 0.00 N ATOM 703 CA ASN A 46 -9.190 -8.794 -12.891 1.00 0.00 C ATOM 704 C ASN A 46 -8.162 -9.162 -13.963 1.00 0.00 C ATOM 705 O ASN A 46 -7.433 -8.299 -14.451 1.00 0.00 O ATOM 706 CB ASN A 46 -10.103 -7.708 -13.463 1.00 0.00 C ATOM 707 CG ASN A 46 -11.536 -8.222 -13.617 1.00 0.00 C ATOM 708 OD1 ASN A 46 -12.348 -8.156 -12.708 1.00 0.00 O ATOM 709 ND2 ASN A 46 -11.800 -8.738 -14.814 1.00 0.00 N ATOM 0 H ASN A 46 -7.523 -8.056 -11.856 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.792 -9.658 -12.610 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.094 -6.837 -12.807 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.724 -7.382 -14.431 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.728 -9.109 -15.016 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.074 -8.762 -15.530 1.00 0.00 H new ATOM 716 N GLY A 47 -8.137 -10.443 -14.299 1.00 0.00 N ATOM 717 CA GLY A 47 -7.212 -10.936 -15.306 1.00 0.00 C ATOM 718 C GLY A 47 -5.838 -11.217 -14.695 1.00 0.00 C ATOM 719 O GLY A 47 -4.811 -10.939 -15.314 1.00 0.00 O ATOM 0 H GLY A 47 -8.743 -11.155 -13.892 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.608 -11.847 -15.754 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.115 -10.203 -16.107 1.00 0.00 H new ATOM 723 N LYS A 48 -5.862 -11.766 -13.490 1.00 0.00 N ATOM 724 CA LYS A 48 -4.631 -12.088 -12.789 1.00 0.00 C ATOM 725 C LYS A 48 -3.981 -10.797 -12.287 1.00 0.00 C ATOM 726 O LYS A 48 -3.695 -10.663 -11.099 1.00 0.00 O ATOM 727 CB LYS A 48 -3.715 -12.933 -13.676 1.00 0.00 C ATOM 728 CG LYS A 48 -3.718 -14.397 -13.231 1.00 0.00 C ATOM 729 CD LYS A 48 -2.336 -14.821 -12.731 1.00 0.00 C ATOM 730 CE LYS A 48 -2.224 -16.345 -12.655 1.00 0.00 C ATOM 731 NZ LYS A 48 -1.589 -16.880 -13.880 1.00 0.00 N ATOM 0 H LYS A 48 -6.715 -11.996 -12.981 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.841 -12.700 -11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.043 -12.864 -14.713 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.699 -12.539 -13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.454 -14.539 -12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.018 -15.033 -14.064 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.568 -14.429 -13.398 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.153 -14.390 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.638 -16.629 -11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.215 -16.783 -12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.521 -17.916 -13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.163 -16.625 -14.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.636 -16.476 -13.982 1.00 0.00 H new ATOM 744 N HIS A 49 -3.767 -9.880 -13.219 1.00 0.00 N ATOM 745 CA HIS A 49 -3.156 -8.605 -12.887 1.00 0.00 C ATOM 746 C HIS A 49 -4.139 -7.761 -12.073 1.00 0.00 C ATOM 747 O HIS A 49 -5.323 -7.692 -12.401 1.00 0.00 O ATOM 748 CB HIS A 49 -2.666 -7.891 -14.149 1.00 0.00 C ATOM 749 CG HIS A 49 -3.709 -7.019 -14.806 1.00 0.00 C ATOM 750 ND1 HIS A 49 -4.090 -5.791 -14.294 1.00 0.00 N ATOM 751 CD2 HIS A 49 -4.446 -7.209 -15.938 1.00 0.00 C ATOM 752 CE1 HIS A 49 -5.016 -5.275 -15.089 1.00 0.00 C ATOM 753 NE2 HIS A 49 -5.235 -6.156 -16.107 1.00 0.00 N ATOM 0 H HIS A 49 -4.006 -9.995 -14.204 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.274 -8.771 -12.268 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.802 -7.277 -13.894 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.326 -8.637 -14.867 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -4.396 -8.071 -16.587 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.510 -4.324 -14.955 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -5.897 -6.026 -16.872 1.00 0.00 H new ATOM 761 N PHE A 50 -3.612 -7.140 -11.028 1.00 0.00 N ATOM 762 CA PHE A 50 -4.429 -6.304 -10.165 1.00 0.00 C ATOM 763 C PHE A 50 -4.123 -4.821 -10.388 1.00 0.00 C ATOM 764 O PHE A 50 -3.016 -4.466 -10.790 1.00 0.00 O ATOM 765 CB PHE A 50 -4.078 -6.674 -8.722 1.00 0.00 C ATOM 766 CG PHE A 50 -2.634 -6.351 -8.332 1.00 0.00 C ATOM 767 CD1 PHE A 50 -2.319 -5.123 -7.842 1.00 0.00 C ATOM 768 CD2 PHE A 50 -1.665 -7.296 -8.474 1.00 0.00 C ATOM 769 CE1 PHE A 50 -0.979 -4.825 -7.480 1.00 0.00 C ATOM 770 CE2 PHE A 50 -0.325 -6.997 -8.112 1.00 0.00 C ATOM 771 CZ PHE A 50 -0.010 -5.768 -7.622 1.00 0.00 C ATOM 0 H PHE A 50 -2.630 -7.199 -10.760 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.485 -6.466 -10.381 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.753 -6.146 -8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.253 -7.740 -8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.088 -4.374 -7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.915 -8.273 -8.862 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.729 -3.849 -7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.445 -7.746 -8.226 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.009 -5.541 -7.346 1.00 0.00 H new ATOM 781 N LYS A 51 -5.124 -3.997 -10.119 1.00 0.00 N ATOM 782 CA LYS A 51 -4.976 -2.561 -10.286 1.00 0.00 C ATOM 783 C LYS A 51 -5.051 -1.883 -8.917 1.00 0.00 C ATOM 784 O LYS A 51 -5.774 -2.339 -8.032 1.00 0.00 O ATOM 785 CB LYS A 51 -6.000 -2.031 -11.291 1.00 0.00 C ATOM 786 CG LYS A 51 -6.477 -0.630 -10.901 1.00 0.00 C ATOM 787 CD LYS A 51 -7.022 0.122 -12.116 1.00 0.00 C ATOM 788 CE LYS A 51 -8.548 0.218 -12.063 1.00 0.00 C ATOM 789 NZ LYS A 51 -9.157 -0.618 -13.122 1.00 0.00 N ATOM 0 H LYS A 51 -6.041 -4.296 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.999 -2.325 -10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.557 -2.004 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.852 -2.709 -11.339 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.252 -0.705 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.651 -0.070 -10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.592 1.123 -12.151 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.718 -0.388 -13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.905 -0.106 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.858 1.256 -12.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.148 -0.818 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.119 -0.111 -14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.633 -1.513 -13.203 1.00 0.00 H new ATOM 802 N PHE A 52 -4.293 -0.803 -8.784 1.00 0.00 N ATOM 803 CA PHE A 52 -4.264 -0.057 -7.537 1.00 0.00 C ATOM 804 C PHE A 52 -4.466 1.438 -7.789 1.00 0.00 C ATOM 805 O PHE A 52 -4.240 1.921 -8.897 1.00 0.00 O ATOM 806 CB PHE A 52 -2.883 -0.277 -6.918 1.00 0.00 C ATOM 807 CG PHE A 52 -2.831 -0.021 -5.410 1.00 0.00 C ATOM 808 CD1 PHE A 52 -2.634 1.240 -4.940 1.00 0.00 C ATOM 809 CD2 PHE A 52 -2.981 -1.055 -4.540 1.00 0.00 C ATOM 810 CE1 PHE A 52 -2.585 1.476 -3.541 1.00 0.00 C ATOM 811 CE2 PHE A 52 -2.932 -0.819 -3.141 1.00 0.00 C ATOM 812 CZ PHE A 52 -2.735 0.442 -2.670 1.00 0.00 C ATOM 0 H PHE A 52 -3.695 -0.427 -9.520 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.063 -0.398 -6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.567 -1.302 -7.114 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.166 0.378 -7.413 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.515 2.062 -5.631 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.137 -2.056 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.428 2.477 -3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.051 -1.641 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.698 0.622 -1.606 1.00 0.00 H new ATOM 822 N THR A 53 -4.890 2.130 -6.741 1.00 0.00 N ATOM 823 CA THR A 53 -5.124 3.561 -6.834 1.00 0.00 C ATOM 824 C THR A 53 -4.468 4.287 -5.658 1.00 0.00 C ATOM 825 O THR A 53 -4.451 3.775 -4.539 1.00 0.00 O ATOM 826 CB THR A 53 -6.636 3.787 -6.921 1.00 0.00 C ATOM 827 OG1 THR A 53 -6.997 3.236 -8.185 1.00 0.00 O ATOM 828 CG2 THR A 53 -6.999 5.269 -7.043 1.00 0.00 C ATOM 0 H THR A 53 -5.077 1.726 -5.823 1.00 0.00 H new ATOM 0 HA THR A 53 -4.665 3.980 -7.730 1.00 0.00 H new ATOM 0 HB THR A 53 -7.118 3.366 -6.039 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.962 3.338 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.082 5.375 -7.101 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.628 5.807 -6.171 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.545 5.682 -7.944 1.00 0.00 H new ATOM 836 N ILE A 54 -3.943 5.468 -5.951 1.00 0.00 N ATOM 837 CA ILE A 54 -3.287 6.269 -4.932 1.00 0.00 C ATOM 838 C ILE A 54 -4.174 7.466 -4.582 1.00 0.00 C ATOM 839 O ILE A 54 -4.695 8.138 -5.471 1.00 0.00 O ATOM 840 CB ILE A 54 -1.877 6.658 -5.381 1.00 0.00 C ATOM 841 CG1 ILE A 54 -1.017 5.416 -5.621 1.00 0.00 C ATOM 842 CG2 ILE A 54 -1.230 7.620 -4.383 1.00 0.00 C ATOM 843 CD1 ILE A 54 0.054 5.687 -6.680 1.00 0.00 C ATOM 0 H ILE A 54 -3.959 5.889 -6.880 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.156 5.690 -4.018 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.954 7.185 -6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.542 5.112 -4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.649 4.588 -5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.229 7.881 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.834 8.524 -4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.166 7.142 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.651 4.788 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.425 5.967 -7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.699 6.499 -6.345 1.00 0.00 H new ATOM 855 N THR A 55 -4.317 7.697 -3.286 1.00 0.00 N ATOM 856 CA THR A 55 -5.130 8.802 -2.807 1.00 0.00 C ATOM 857 C THR A 55 -4.276 9.785 -2.004 1.00 0.00 C ATOM 858 O THR A 55 -4.749 10.375 -1.035 1.00 0.00 O ATOM 859 CB THR A 55 -6.297 8.218 -2.009 1.00 0.00 C ATOM 860 OG1 THR A 55 -7.103 7.573 -2.992 1.00 0.00 O ATOM 861 CG2 THR A 55 -7.210 9.301 -1.431 1.00 0.00 C ATOM 0 H THR A 55 -3.883 7.137 -2.552 1.00 0.00 H new ATOM 0 HA THR A 55 -5.540 9.379 -3.636 1.00 0.00 H new ATOM 0 HB THR A 55 -5.909 7.599 -1.200 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.882 7.165 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.022 8.833 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.635 9.943 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.624 9.899 -2.243 1.00 0.00 H new ATOM 869 N ALA A 56 -3.033 9.931 -2.438 1.00 0.00 N ATOM 870 CA ALA A 56 -2.109 10.832 -1.772 1.00 0.00 C ATOM 871 C ALA A 56 -2.074 12.165 -2.522 1.00 0.00 C ATOM 872 O ALA A 56 -2.451 12.234 -3.690 1.00 0.00 O ATOM 873 CB ALA A 56 -0.728 10.176 -1.684 1.00 0.00 C ATOM 0 H ALA A 56 -2.644 9.440 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.439 11.035 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.035 10.853 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.802 9.248 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.363 9.960 -2.688 1.00 0.00 H new ATOM 879 N GLY A 57 -1.616 13.191 -1.819 1.00 0.00 N ATOM 880 CA GLY A 57 -1.527 14.519 -2.403 1.00 0.00 C ATOM 881 C GLY A 57 -2.816 14.879 -3.144 1.00 0.00 C ATOM 882 O GLY A 57 -2.793 15.660 -4.093 1.00 0.00 O ATOM 0 H GLY A 57 -1.303 13.129 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.336 15.253 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.683 14.562 -3.092 1.00 0.00 H new ATOM 886 N SER A 58 -3.910 14.293 -2.681 1.00 0.00 N ATOM 887 CA SER A 58 -5.208 14.544 -3.286 1.00 0.00 C ATOM 888 C SER A 58 -5.134 14.307 -4.797 1.00 0.00 C ATOM 889 O SER A 58 -5.811 14.983 -5.569 1.00 0.00 O ATOM 890 CB SER A 58 -5.686 15.967 -2.995 1.00 0.00 C ATOM 891 OG SER A 58 -7.056 16.151 -3.341 1.00 0.00 O ATOM 0 H SER A 58 -3.925 13.645 -1.894 1.00 0.00 H new ATOM 0 HA SER A 58 -5.929 13.852 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.547 16.187 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.073 16.676 -3.551 1.00 0.00 H new ATOM 0 HG SER A 58 -7.196 15.889 -4.275 1.00 0.00 H new ATOM 897 N LYS A 59 -4.304 13.343 -5.173 1.00 0.00 N ATOM 898 CA LYS A 59 -4.133 13.010 -6.576 1.00 0.00 C ATOM 899 C LYS A 59 -4.377 11.511 -6.773 1.00 0.00 C ATOM 900 O LYS A 59 -4.035 10.705 -5.909 1.00 0.00 O ATOM 901 CB LYS A 59 -2.766 13.480 -7.076 1.00 0.00 C ATOM 902 CG LYS A 59 -1.718 12.375 -6.927 1.00 0.00 C ATOM 903 CD LYS A 59 -0.302 12.948 -7.026 1.00 0.00 C ATOM 904 CE LYS A 59 0.254 12.794 -8.443 1.00 0.00 C ATOM 905 NZ LYS A 59 0.102 14.057 -9.199 1.00 0.00 N ATOM 0 H LYS A 59 -3.744 12.783 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.868 13.537 -7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.840 13.777 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.453 14.361 -6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.846 11.874 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.865 11.622 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.312 14.002 -6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.351 12.438 -6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.307 12.514 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.268 11.989 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.484 13.935 -10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.906 14.308 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.620 14.817 -8.714 1.00 0.00 H new ATOM 918 N VAL A 60 -4.967 11.185 -7.913 1.00 0.00 N ATOM 919 CA VAL A 60 -5.261 9.799 -8.234 1.00 0.00 C ATOM 920 C VAL A 60 -4.425 9.371 -9.442 1.00 0.00 C ATOM 921 O VAL A 60 -4.107 10.190 -10.303 1.00 0.00 O ATOM 922 CB VAL A 60 -6.764 9.620 -8.454 1.00 0.00 C ATOM 923 CG1 VAL A 60 -7.345 8.602 -7.470 1.00 0.00 C ATOM 924 CG2 VAL A 60 -7.496 10.959 -8.353 1.00 0.00 C ATOM 0 H VAL A 60 -5.250 11.857 -8.626 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.988 9.149 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.911 9.233 -9.462 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.415 8.494 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.854 7.639 -7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.180 8.947 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.563 10.803 -8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.336 11.387 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.111 11.642 -9.110 1.00 0.00 H new ATOM 934 N ILE A 61 -4.093 8.089 -9.467 1.00 0.00 N ATOM 935 CA ILE A 61 -3.300 7.543 -10.555 1.00 0.00 C ATOM 936 C ILE A 61 -3.862 6.176 -10.953 1.00 0.00 C ATOM 937 O ILE A 61 -4.115 5.331 -10.096 1.00 0.00 O ATOM 938 CB ILE A 61 -1.819 7.511 -10.175 1.00 0.00 C ATOM 939 CG1 ILE A 61 -1.315 8.911 -9.817 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.982 6.866 -11.282 1.00 0.00 C ATOM 941 CD1 ILE A 61 0.047 8.842 -9.123 1.00 0.00 C ATOM 0 H ILE A 61 -4.359 7.412 -8.751 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.366 8.184 -11.434 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.708 6.891 -9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.237 9.515 -10.721 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.035 9.405 -9.165 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.067 6.856 -10.986 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.322 5.844 -11.447 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.094 7.438 -12.203 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.383 9.850 -8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.040 8.257 -8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.770 8.369 -9.787 1.00 0.00 H new ATOM 953 N GLN A 62 -4.040 6.002 -12.255 1.00 0.00 N ATOM 954 CA GLN A 62 -4.568 4.753 -12.777 1.00 0.00 C ATOM 955 C GLN A 62 -3.444 3.922 -13.401 1.00 0.00 C ATOM 956 O GLN A 62 -2.809 4.353 -14.362 1.00 0.00 O ATOM 957 CB GLN A 62 -5.685 5.010 -13.789 1.00 0.00 C ATOM 958 CG GLN A 62 -5.149 5.730 -15.027 1.00 0.00 C ATOM 959 CD GLN A 62 -6.134 6.798 -15.510 1.00 0.00 C ATOM 960 OE1 GLN A 62 -7.230 6.508 -15.964 1.00 0.00 O ATOM 961 NE2 GLN A 62 -5.684 8.043 -15.391 1.00 0.00 N ATOM 0 H GLN A 62 -3.828 6.705 -12.963 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.996 4.188 -11.949 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.139 4.064 -14.083 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.469 5.610 -13.326 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.190 6.193 -14.796 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.971 5.008 -15.824 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.757 8.215 -15.002 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.266 8.826 -15.688 1.00 0.00 H new ATOM 970 N ASN A 63 -3.233 2.746 -12.828 1.00 0.00 N ATOM 971 CA ASN A 63 -2.198 1.851 -13.315 1.00 0.00 C ATOM 972 C ASN A 63 -2.535 0.416 -12.905 1.00 0.00 C ATOM 973 O ASN A 63 -3.119 0.191 -11.846 1.00 0.00 O ATOM 974 CB ASN A 63 -0.836 2.206 -12.716 1.00 0.00 C ATOM 975 CG ASN A 63 0.159 2.601 -13.808 1.00 0.00 C ATOM 976 OD1 ASN A 63 1.062 1.861 -14.160 1.00 0.00 O ATOM 977 ND2 ASN A 63 -0.058 3.807 -14.327 1.00 0.00 N ATOM 0 H ASN A 63 -3.762 2.392 -12.031 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.152 1.949 -14.400 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.949 3.027 -12.008 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.448 1.355 -12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.550 4.162 -15.065 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.833 4.377 -13.987 1.00 0.00 H new ATOM 984 N GLU A 64 -2.152 -0.517 -13.764 1.00 0.00 N ATOM 985 CA GLU A 64 -2.406 -1.923 -13.504 1.00 0.00 C ATOM 986 C GLU A 64 -1.092 -2.661 -13.241 1.00 0.00 C ATOM 987 O GLU A 64 -0.057 -2.314 -13.807 1.00 0.00 O ATOM 988 CB GLU A 64 -3.172 -2.565 -14.664 1.00 0.00 C ATOM 989 CG GLU A 64 -2.332 -2.566 -15.942 1.00 0.00 C ATOM 990 CD GLU A 64 -2.679 -1.369 -16.828 1.00 0.00 C ATOM 991 OE1 GLU A 64 -3.635 -1.436 -17.615 1.00 0.00 O ATOM 992 OE2 GLU A 64 -1.916 -0.339 -16.677 1.00 0.00 O ATOM 0 H GLU A 64 -1.667 -0.326 -14.641 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.028 -2.001 -12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.444 -3.588 -14.403 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.101 -2.022 -14.836 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.273 -2.538 -15.685 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.502 -3.491 -16.492 1.00 0.00 H new ATOM 1000 N PHE A 65 -1.176 -3.664 -12.380 1.00 0.00 N ATOM 1001 CA PHE A 65 -0.006 -4.454 -12.034 1.00 0.00 C ATOM 1002 C PHE A 65 -0.276 -5.947 -12.227 1.00 0.00 C ATOM 1003 O PHE A 65 -1.353 -6.436 -11.890 1.00 0.00 O ATOM 1004 CB PHE A 65 0.292 -4.188 -10.557 1.00 0.00 C ATOM 1005 CG PHE A 65 1.684 -4.642 -10.112 1.00 0.00 C ATOM 1006 CD1 PHE A 65 1.917 -5.953 -9.841 1.00 0.00 C ATOM 1007 CD2 PHE A 65 2.688 -3.733 -9.986 1.00 0.00 C ATOM 1008 CE1 PHE A 65 3.208 -6.375 -9.428 1.00 0.00 C ATOM 1009 CE2 PHE A 65 3.979 -4.154 -9.573 1.00 0.00 C ATOM 1010 CZ PHE A 65 4.212 -5.466 -9.303 1.00 0.00 C ATOM 0 H PHE A 65 -2.036 -3.948 -11.911 1.00 0.00 H new ATOM 0 HA PHE A 65 0.832 -4.178 -12.674 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.190 -3.120 -10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.456 -4.696 -9.949 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.119 -6.674 -9.940 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.503 -2.691 -10.200 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.393 -7.417 -9.213 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.776 -3.432 -9.473 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.194 -5.786 -8.989 1.00 0.00 H new ATOM 1020 N THR A 66 0.722 -6.631 -12.767 1.00 0.00 N ATOM 1021 CA THR A 66 0.606 -8.060 -13.009 1.00 0.00 C ATOM 1022 C THR A 66 1.397 -8.843 -11.960 1.00 0.00 C ATOM 1023 O THR A 66 2.462 -8.407 -11.526 1.00 0.00 O ATOM 1024 CB THR A 66 1.060 -8.335 -14.443 1.00 0.00 C ATOM 1025 OG1 THR A 66 0.067 -7.706 -15.249 1.00 0.00 O ATOM 1026 CG2 THR A 66 0.960 -9.815 -14.816 1.00 0.00 C ATOM 0 H THR A 66 1.615 -6.223 -13.044 1.00 0.00 H new ATOM 0 HA THR A 66 -0.426 -8.396 -12.910 1.00 0.00 H new ATOM 0 HB THR A 66 2.089 -7.998 -14.568 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.285 -7.834 -16.196 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.294 -9.955 -15.844 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.589 -10.402 -14.147 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.075 -10.144 -14.723 1.00 0.00 H new ATOM 1034 N VAL A 67 0.845 -9.987 -11.582 1.00 0.00 N ATOM 1035 CA VAL A 67 1.485 -10.836 -10.592 1.00 0.00 C ATOM 1036 C VAL A 67 2.294 -11.922 -11.305 1.00 0.00 C ATOM 1037 O VAL A 67 2.067 -12.199 -12.482 1.00 0.00 O ATOM 1038 CB VAL A 67 0.438 -11.404 -9.633 1.00 0.00 C ATOM 1039 CG1 VAL A 67 1.096 -11.967 -8.371 1.00 0.00 C ATOM 1040 CG2 VAL A 67 -0.612 -10.347 -9.279 1.00 0.00 C ATOM 0 H VAL A 67 -0.039 -10.346 -11.944 1.00 0.00 H new ATOM 0 HA VAL A 67 2.181 -10.257 -9.985 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.069 -12.225 -10.140 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.328 -12.364 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.786 -12.764 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.642 -11.174 -7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.345 -10.777 -8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.125 -9.497 -8.801 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.114 -10.014 -10.187 1.00 0.00 H new ATOM 1050 N GLY A 68 3.221 -12.509 -10.561 1.00 0.00 N ATOM 1051 CA GLY A 68 4.065 -13.558 -11.107 1.00 0.00 C ATOM 1052 C GLY A 68 5.329 -12.972 -11.741 1.00 0.00 C ATOM 1053 O GLY A 68 6.389 -13.593 -11.707 1.00 0.00 O ATOM 0 H GLY A 68 3.406 -12.278 -9.585 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.341 -14.256 -10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.509 -14.125 -11.854 1.00 0.00 H new ATOM 1057 N GLU A 69 5.172 -11.783 -12.304 1.00 0.00 N ATOM 1058 CA GLU A 69 6.287 -11.106 -12.945 1.00 0.00 C ATOM 1059 C GLU A 69 6.483 -9.715 -12.338 1.00 0.00 C ATOM 1060 O GLU A 69 5.574 -9.174 -11.710 1.00 0.00 O ATOM 1061 CB GLU A 69 6.080 -11.020 -14.458 1.00 0.00 C ATOM 1062 CG GLU A 69 4.941 -10.058 -14.802 1.00 0.00 C ATOM 1063 CD GLU A 69 4.741 -9.963 -16.315 1.00 0.00 C ATOM 1064 OE1 GLU A 69 5.499 -9.258 -16.998 1.00 0.00 O ATOM 1065 OE2 GLU A 69 3.758 -10.656 -16.781 1.00 0.00 O ATOM 0 H GLU A 69 4.290 -11.271 -12.330 1.00 0.00 H new ATOM 0 HA GLU A 69 7.191 -11.689 -12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.001 -10.685 -14.936 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.857 -12.010 -14.855 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.019 -10.397 -14.330 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.161 -9.070 -14.398 1.00 0.00 H new ATOM 1073 N GLU A 70 7.675 -9.176 -12.548 1.00 0.00 N ATOM 1074 CA GLU A 70 8.002 -7.858 -12.030 1.00 0.00 C ATOM 1075 C GLU A 70 7.402 -6.773 -12.925 1.00 0.00 C ATOM 1076 O GLU A 70 7.465 -6.867 -14.150 1.00 0.00 O ATOM 1077 CB GLU A 70 9.515 -7.683 -11.893 1.00 0.00 C ATOM 1078 CG GLU A 70 9.884 -7.167 -10.500 1.00 0.00 C ATOM 1079 CD GLU A 70 11.156 -7.842 -9.984 1.00 0.00 C ATOM 1080 OE1 GLU A 70 11.547 -8.902 -10.496 1.00 0.00 O ATOM 1081 OE2 GLU A 70 11.746 -7.226 -9.016 1.00 0.00 O ATOM 0 H GLU A 70 8.426 -9.628 -13.070 1.00 0.00 H new ATOM 0 HA GLU A 70 7.568 -7.761 -11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.013 -8.635 -12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.874 -6.986 -12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.030 -6.087 -10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.062 -7.355 -9.809 1.00 0.00 H new ATOM 1089 N CYS A 71 6.835 -5.764 -12.280 1.00 0.00 N ATOM 1090 CA CYS A 71 6.225 -4.661 -13.002 1.00 0.00 C ATOM 1091 C CYS A 71 6.859 -3.356 -12.513 1.00 0.00 C ATOM 1092 O CYS A 71 7.544 -3.341 -11.491 1.00 0.00 O ATOM 1093 CB CYS A 71 4.704 -4.651 -12.841 1.00 0.00 C ATOM 1094 SG CYS A 71 3.950 -5.893 -13.954 1.00 0.00 S ATOM 0 H CYS A 71 6.785 -5.688 -11.264 1.00 0.00 H new ATOM 0 HA CYS A 71 6.411 -4.776 -14.070 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.438 -4.868 -11.807 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.312 -3.660 -13.070 1.00 0.00 H new ATOM 0 HG CYS A 71 4.877 -6.673 -14.425 1.00 0.00 H new ATOM 1100 N GLU A 72 6.608 -2.295 -13.264 1.00 0.00 N ATOM 1101 CA GLU A 72 7.145 -0.990 -12.920 1.00 0.00 C ATOM 1102 C GLU A 72 6.090 -0.157 -12.189 1.00 0.00 C ATOM 1103 O GLU A 72 4.999 0.065 -12.710 1.00 0.00 O ATOM 1104 CB GLU A 72 7.653 -0.260 -14.164 1.00 0.00 C ATOM 1105 CG GLU A 72 6.493 0.136 -15.079 1.00 0.00 C ATOM 1106 CD GLU A 72 6.887 0.007 -16.553 1.00 0.00 C ATOM 1107 OE1 GLU A 72 8.039 0.285 -16.913 1.00 0.00 O ATOM 1108 OE2 GLU A 72 5.945 -0.402 -17.334 1.00 0.00 O ATOM 0 H GLU A 72 6.039 -2.312 -14.111 1.00 0.00 H new ATOM 0 HA GLU A 72 7.994 -1.134 -12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.207 0.631 -13.867 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.347 -0.900 -14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.630 -0.497 -14.873 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.193 1.162 -14.868 1.00 0.00 H new ATOM 1116 N LEU A 73 6.452 0.280 -10.991 1.00 0.00 N ATOM 1117 CA LEU A 73 5.551 1.083 -10.183 1.00 0.00 C ATOM 1118 C LEU A 73 6.269 2.358 -9.739 1.00 0.00 C ATOM 1119 O LEU A 73 7.433 2.313 -9.343 1.00 0.00 O ATOM 1120 CB LEU A 73 4.991 0.257 -9.024 1.00 0.00 C ATOM 1121 CG LEU A 73 3.911 -0.764 -9.387 1.00 0.00 C ATOM 1122 CD1 LEU A 73 3.351 -1.441 -8.134 1.00 0.00 C ATOM 1123 CD2 LEU A 73 2.810 -0.120 -10.232 1.00 0.00 C ATOM 0 H LEU A 73 7.358 0.093 -10.561 1.00 0.00 H new ATOM 0 HA LEU A 73 4.687 1.393 -10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.817 -0.272 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.581 0.941 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 73 4.369 -1.544 -9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.585 -2.162 -8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.155 -1.956 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.913 -0.688 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.055 -0.867 -10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.348 0.692 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.241 0.274 -11.152 1.00 0.00 H new ATOM 1135 N GLU A 74 5.546 3.466 -9.820 1.00 0.00 N ATOM 1136 CA GLU A 74 6.100 4.751 -9.430 1.00 0.00 C ATOM 1137 C GLU A 74 6.192 4.850 -7.907 1.00 0.00 C ATOM 1138 O GLU A 74 5.178 4.773 -7.214 1.00 0.00 O ATOM 1139 CB GLU A 74 5.272 5.902 -10.007 1.00 0.00 C ATOM 1140 CG GLU A 74 6.032 6.618 -11.125 1.00 0.00 C ATOM 1141 CD GLU A 74 5.625 8.091 -11.209 1.00 0.00 C ATOM 1142 OE1 GLU A 74 4.494 8.443 -10.842 1.00 0.00 O ATOM 1143 OE2 GLU A 74 6.533 8.881 -11.673 1.00 0.00 O ATOM 0 H GLU A 74 4.581 3.500 -10.150 1.00 0.00 H new ATOM 0 HA GLU A 74 7.107 4.830 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.328 5.518 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.028 6.611 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.105 6.543 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.833 6.127 -12.077 1.00 0.00 H new ATOM 1151 N THR A 75 7.416 5.021 -7.429 1.00 0.00 N ATOM 1152 CA THR A 75 7.653 5.132 -6.000 1.00 0.00 C ATOM 1153 C THR A 75 6.947 6.367 -5.437 1.00 0.00 C ATOM 1154 O THR A 75 6.830 6.518 -4.222 1.00 0.00 O ATOM 1155 CB THR A 75 9.166 5.139 -5.771 1.00 0.00 C ATOM 1156 OG1 THR A 75 9.566 3.800 -6.052 1.00 0.00 O ATOM 1157 CG2 THR A 75 9.534 5.337 -4.299 1.00 0.00 C ATOM 0 H THR A 75 8.254 5.085 -8.006 1.00 0.00 H new ATOM 0 HA THR A 75 7.232 4.283 -5.462 1.00 0.00 H new ATOM 0 HB THR A 75 9.620 5.930 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.499 3.673 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 75 10.619 5.334 -4.192 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.137 6.290 -3.950 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.109 4.528 -3.706 1.00 0.00 H new ATOM 1165 N MET A 76 6.496 7.217 -6.346 1.00 0.00 N ATOM 1166 CA MET A 76 5.805 8.434 -5.955 1.00 0.00 C ATOM 1167 C MET A 76 6.799 9.525 -5.556 1.00 0.00 C ATOM 1168 O MET A 76 6.406 10.658 -5.279 1.00 0.00 O ATOM 1169 CB MET A 76 4.874 8.136 -4.778 1.00 0.00 C ATOM 1170 CG MET A 76 3.703 9.122 -4.742 1.00 0.00 C ATOM 1171 SD MET A 76 2.995 9.169 -3.104 1.00 0.00 S ATOM 1172 CE MET A 76 4.416 9.707 -2.167 1.00 0.00 C ATOM 0 H MET A 76 6.595 7.088 -7.353 1.00 0.00 H new ATOM 0 HA MET A 76 5.226 8.791 -6.807 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.494 7.117 -4.859 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.433 8.195 -3.844 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.045 10.117 -5.028 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.945 8.825 -5.467 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.085 10.283 -1.303 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.980 8.837 -1.830 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.052 10.330 -2.796 1.00 0.00 H new ATOM 1182 N THR A 77 8.069 9.147 -5.540 1.00 0.00 N ATOM 1183 CA THR A 77 9.124 10.080 -5.180 1.00 0.00 C ATOM 1184 C THR A 77 9.779 10.655 -6.437 1.00 0.00 C ATOM 1185 O THR A 77 10.719 11.442 -6.345 1.00 0.00 O ATOM 1186 CB THR A 77 10.106 9.351 -4.261 1.00 0.00 C ATOM 1187 OG1 THR A 77 10.720 10.395 -3.511 1.00 0.00 O ATOM 1188 CG2 THR A 77 11.265 8.715 -5.030 1.00 0.00 C ATOM 0 H THR A 77 8.391 8.207 -5.771 1.00 0.00 H new ATOM 0 HA THR A 77 8.726 10.938 -4.638 1.00 0.00 H new ATOM 0 HB THR A 77 9.575 8.581 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.888 11.163 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.932 8.211 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.874 7.991 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.816 9.489 -5.563 1.00 0.00 H new ATOM 1196 N GLY A 78 9.256 10.240 -7.581 1.00 0.00 N ATOM 1197 CA GLY A 78 9.778 10.704 -8.854 1.00 0.00 C ATOM 1198 C GLY A 78 10.438 9.559 -9.627 1.00 0.00 C ATOM 1199 O GLY A 78 10.325 9.482 -10.849 1.00 0.00 O ATOM 0 H GLY A 78 8.476 9.587 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.970 11.131 -9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.504 11.499 -8.685 1.00 0.00 H new ATOM 1203 N GLU A 79 11.115 8.697 -8.880 1.00 0.00 N ATOM 1204 CA GLU A 79 11.793 7.561 -9.479 1.00 0.00 C ATOM 1205 C GLU A 79 10.823 6.389 -9.642 1.00 0.00 C ATOM 1206 O GLU A 79 9.776 6.351 -8.996 1.00 0.00 O ATOM 1207 CB GLU A 79 13.012 7.152 -8.650 1.00 0.00 C ATOM 1208 CG GLU A 79 13.921 8.353 -8.383 1.00 0.00 C ATOM 1209 CD GLU A 79 15.133 8.343 -9.317 1.00 0.00 C ATOM 1210 OE1 GLU A 79 15.109 8.998 -10.370 1.00 0.00 O ATOM 1211 OE2 GLU A 79 16.125 7.623 -8.915 1.00 0.00 O ATOM 0 H GLU A 79 11.208 8.764 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 79 12.147 7.854 -10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.685 6.721 -7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.571 6.378 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.359 9.277 -8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.257 8.336 -7.346 1.00 0.00 H new ATOM 1219 N LYS A 80 11.205 5.462 -10.507 1.00 0.00 N ATOM 1220 CA LYS A 80 10.382 4.292 -10.763 1.00 0.00 C ATOM 1221 C LYS A 80 11.166 3.031 -10.394 1.00 0.00 C ATOM 1222 O LYS A 80 12.309 2.862 -10.815 1.00 0.00 O ATOM 1223 CB LYS A 80 9.873 4.300 -12.206 1.00 0.00 C ATOM 1224 CG LYS A 80 11.013 4.032 -13.190 1.00 0.00 C ATOM 1225 CD LYS A 80 10.548 4.225 -14.635 1.00 0.00 C ATOM 1226 CE LYS A 80 11.740 4.318 -15.588 1.00 0.00 C ATOM 1227 NZ LYS A 80 11.332 4.932 -16.872 1.00 0.00 N ATOM 0 H LYS A 80 12.074 5.497 -11.040 1.00 0.00 H new ATOM 0 HA LYS A 80 9.491 4.309 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.098 3.543 -12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.415 5.264 -12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.845 4.704 -12.979 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.382 3.015 -13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.908 3.393 -14.929 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.947 5.131 -14.709 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.533 4.910 -15.131 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.148 3.323 -15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.154 4.987 -17.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.591 4.352 -17.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.964 5.889 -16.698 1.00 0.00 H new ATOM 1240 N VAL A 81 10.519 2.179 -9.611 1.00 0.00 N ATOM 1241 CA VAL A 81 11.142 0.938 -9.181 1.00 0.00 C ATOM 1242 C VAL A 81 10.294 -0.243 -9.655 1.00 0.00 C ATOM 1243 O VAL A 81 9.072 -0.139 -9.744 1.00 0.00 O ATOM 1244 CB VAL A 81 11.351 0.957 -7.666 1.00 0.00 C ATOM 1245 CG1 VAL A 81 12.239 2.130 -7.248 1.00 0.00 C ATOM 1246 CG2 VAL A 81 10.011 0.993 -6.928 1.00 0.00 C ATOM 0 H VAL A 81 9.571 2.324 -9.264 1.00 0.00 H new ATOM 0 HA VAL A 81 12.129 0.829 -9.630 1.00 0.00 H new ATOM 0 HB VAL A 81 11.862 0.035 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.371 2.119 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.211 2.041 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.769 3.067 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.188 1.006 -5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.461 1.889 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.428 0.110 -7.189 1.00 0.00 H new ATOM 1256 N LYS A 82 10.977 -1.342 -9.944 1.00 0.00 N ATOM 1257 CA LYS A 82 10.301 -2.542 -10.407 1.00 0.00 C ATOM 1258 C LYS A 82 10.163 -3.524 -9.241 1.00 0.00 C ATOM 1259 O LYS A 82 11.155 -4.082 -8.773 1.00 0.00 O ATOM 1260 CB LYS A 82 11.022 -3.128 -11.622 1.00 0.00 C ATOM 1261 CG LYS A 82 11.021 -2.139 -12.789 1.00 0.00 C ATOM 1262 CD LYS A 82 12.346 -1.375 -12.861 1.00 0.00 C ATOM 1263 CE LYS A 82 13.347 -2.098 -13.764 1.00 0.00 C ATOM 1264 NZ LYS A 82 14.724 -1.937 -13.244 1.00 0.00 N ATOM 0 H LYS A 82 11.991 -1.426 -9.866 1.00 0.00 H new ATOM 0 HA LYS A 82 9.293 -2.305 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.048 -3.379 -11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.536 -4.055 -11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.854 -2.674 -13.724 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.197 -1.435 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.169 -0.369 -13.240 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.764 -1.270 -11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.095 -3.157 -13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.286 -1.700 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.391 -2.434 -13.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.967 -0.926 -13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.782 -2.338 -12.286 1.00 0.00 H new ATOM 1277 N THR A 83 8.925 -3.706 -8.806 1.00 0.00 N ATOM 1278 CA THR A 83 8.644 -4.611 -7.705 1.00 0.00 C ATOM 1279 C THR A 83 7.996 -5.897 -8.223 1.00 0.00 C ATOM 1280 O THR A 83 7.376 -5.900 -9.285 1.00 0.00 O ATOM 1281 CB THR A 83 7.780 -3.863 -6.687 1.00 0.00 C ATOM 1282 OG1 THR A 83 7.105 -4.898 -5.977 1.00 0.00 O ATOM 1283 CG2 THR A 83 6.651 -3.068 -7.349 1.00 0.00 C ATOM 0 H THR A 83 8.105 -3.242 -9.196 1.00 0.00 H new ATOM 0 HA THR A 83 9.562 -4.924 -7.207 1.00 0.00 H new ATOM 0 HB THR A 83 8.407 -3.188 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.697 -5.260 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.068 -2.556 -6.583 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.076 -2.333 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.004 -3.748 -7.903 1.00 0.00 H new ATOM 1291 N VAL A 84 8.163 -6.959 -7.448 1.00 0.00 N ATOM 1292 CA VAL A 84 7.603 -8.249 -7.816 1.00 0.00 C ATOM 1293 C VAL A 84 6.537 -8.647 -6.792 1.00 0.00 C ATOM 1294 O VAL A 84 6.665 -8.343 -5.608 1.00 0.00 O ATOM 1295 CB VAL A 84 8.721 -9.285 -7.949 1.00 0.00 C ATOM 1296 CG1 VAL A 84 9.309 -9.636 -6.582 1.00 0.00 C ATOM 1297 CG2 VAL A 84 8.221 -10.540 -8.670 1.00 0.00 C ATOM 0 H VAL A 84 8.678 -6.953 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 84 7.114 -8.191 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 84 9.516 -8.845 -8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.101 -10.374 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.719 -8.738 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.527 -10.047 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.034 -11.261 -8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.400 -10.982 -8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.872 -10.272 -9.667 1.00 0.00 H new ATOM 1307 N VAL A 85 5.510 -9.322 -7.288 1.00 0.00 N ATOM 1308 CA VAL A 85 4.423 -9.764 -6.431 1.00 0.00 C ATOM 1309 C VAL A 85 4.428 -11.293 -6.357 1.00 0.00 C ATOM 1310 O VAL A 85 4.335 -11.968 -7.382 1.00 0.00 O ATOM 1311 CB VAL A 85 3.095 -9.195 -6.934 1.00 0.00 C ATOM 1312 CG1 VAL A 85 1.915 -9.797 -6.168 1.00 0.00 C ATOM 1313 CG2 VAL A 85 3.085 -7.667 -6.845 1.00 0.00 C ATOM 0 H VAL A 85 5.408 -9.573 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 85 4.559 -9.388 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 85 2.988 -9.470 -7.983 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.983 -9.376 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.906 -10.878 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.014 -9.567 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.130 -7.288 -7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.226 -7.362 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.892 -7.262 -7.455 1.00 0.00 H new ATOM 1323 N GLN A 86 4.537 -11.794 -5.136 1.00 0.00 N ATOM 1324 CA GLN A 86 4.555 -13.230 -4.915 1.00 0.00 C ATOM 1325 C GLN A 86 3.307 -13.665 -4.145 1.00 0.00 C ATOM 1326 O GLN A 86 2.665 -12.849 -3.485 1.00 0.00 O ATOM 1327 CB GLN A 86 5.829 -13.656 -4.180 1.00 0.00 C ATOM 1328 CG GLN A 86 6.565 -14.754 -4.950 1.00 0.00 C ATOM 1329 CD GLN A 86 7.932 -15.039 -4.326 1.00 0.00 C ATOM 1330 OE1 GLN A 86 8.903 -14.334 -4.546 1.00 0.00 O ATOM 1331 NE2 GLN A 86 7.955 -16.109 -3.538 1.00 0.00 N ATOM 0 H GLN A 86 4.614 -11.231 -4.289 1.00 0.00 H new ATOM 0 HA GLN A 86 4.551 -13.727 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.485 -12.795 -4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.575 -14.014 -3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.966 -15.665 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.692 -14.452 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.106 -16.656 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.822 -16.383 -3.075 1.00 0.00 H new ATOM 1340 N LEU A 87 3.000 -14.949 -4.256 1.00 0.00 N ATOM 1341 CA LEU A 87 1.840 -15.502 -3.578 1.00 0.00 C ATOM 1342 C LEU A 87 2.291 -16.609 -2.623 1.00 0.00 C ATOM 1343 O LEU A 87 3.138 -17.430 -2.975 1.00 0.00 O ATOM 1344 CB LEU A 87 0.792 -15.957 -4.596 1.00 0.00 C ATOM 1345 CG LEU A 87 -0.062 -14.851 -5.220 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -0.357 -15.151 -6.691 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -1.343 -14.627 -4.413 1.00 0.00 C ATOM 0 H LEU A 87 3.534 -15.622 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 87 1.353 -14.738 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.301 -16.491 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.127 -16.671 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 87 0.506 -13.921 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.965 -14.350 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.580 -15.222 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.896 -16.095 -6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.932 -13.836 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.925 -15.548 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.085 -14.337 -3.394 1.00 0.00 H new ATOM 1359 N GLU A 88 1.707 -16.596 -1.435 1.00 0.00 N ATOM 1360 CA GLU A 88 2.038 -17.588 -0.426 1.00 0.00 C ATOM 1361 C GLU A 88 0.762 -18.168 0.188 1.00 0.00 C ATOM 1362 O GLU A 88 -0.238 -17.467 0.326 1.00 0.00 O ATOM 1363 CB GLU A 88 2.944 -16.992 0.653 1.00 0.00 C ATOM 1364 CG GLU A 88 3.287 -18.035 1.718 1.00 0.00 C ATOM 1365 CD GLU A 88 4.366 -17.513 2.670 1.00 0.00 C ATOM 1366 OE1 GLU A 88 5.449 -17.112 2.218 1.00 0.00 O ATOM 1367 OE2 GLU A 88 4.047 -17.531 3.919 1.00 0.00 O ATOM 0 H GLU A 88 1.006 -15.914 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 88 2.586 -18.398 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.861 -16.617 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.449 -16.140 1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.391 -18.291 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.633 -18.950 1.238 1.00 0.00 H new ATOM 1375 N GLY A 89 0.840 -19.443 0.539 1.00 0.00 N ATOM 1376 CA GLY A 89 -0.296 -20.125 1.135 1.00 0.00 C ATOM 1377 C GLY A 89 -1.430 -20.291 0.121 1.00 0.00 C ATOM 1378 O GLY A 89 -1.263 -20.958 -0.900 1.00 0.00 O ATOM 0 H GLY A 89 1.672 -20.022 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.014 -21.103 1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.653 -19.560 1.996 1.00 0.00 H new ATOM 1382 N ASP A 90 -2.558 -19.671 0.437 1.00 0.00 N ATOM 1383 CA ASP A 90 -3.719 -19.742 -0.435 1.00 0.00 C ATOM 1384 C ASP A 90 -4.521 -18.444 -0.314 1.00 0.00 C ATOM 1385 O ASP A 90 -5.715 -18.419 -0.606 1.00 0.00 O ATOM 1386 CB ASP A 90 -4.634 -20.902 -0.040 1.00 0.00 C ATOM 1387 CG ASP A 90 -4.615 -22.096 -0.997 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -4.046 -23.153 -0.686 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -5.223 -21.905 -2.118 1.00 0.00 O ATOM 0 H ASP A 90 -2.693 -19.118 1.283 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.367 -19.893 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.349 -21.248 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.656 -20.530 0.033 1.00 0.00 H new ATOM 1395 N ASN A 91 -3.831 -17.398 0.118 1.00 0.00 N ATOM 1396 CA ASN A 91 -4.464 -16.100 0.280 1.00 0.00 C ATOM 1397 C ASN A 91 -3.474 -15.132 0.930 1.00 0.00 C ATOM 1398 O ASN A 91 -3.813 -14.441 1.888 1.00 0.00 O ATOM 1399 CB ASN A 91 -5.693 -16.196 1.187 1.00 0.00 C ATOM 1400 CG ASN A 91 -6.805 -15.262 0.705 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -6.583 -14.107 0.383 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -8.009 -15.825 0.675 1.00 0.00 N ATOM 0 H ASN A 91 -2.841 -17.423 0.361 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.768 -15.748 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.058 -17.223 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.416 -15.940 2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.818 -15.284 0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.124 -16.798 0.958 1.00 0.00 H new ATOM 1409 N LYS A 92 -2.267 -15.113 0.381 1.00 0.00 N ATOM 1410 CA LYS A 92 -1.225 -14.241 0.894 1.00 0.00 C ATOM 1411 C LYS A 92 -0.367 -13.739 -0.270 1.00 0.00 C ATOM 1412 O LYS A 92 0.051 -14.523 -1.121 1.00 0.00 O ATOM 1413 CB LYS A 92 -0.424 -14.950 1.987 1.00 0.00 C ATOM 1414 CG LYS A 92 -1.343 -15.768 2.898 1.00 0.00 C ATOM 1415 CD LYS A 92 -0.564 -16.361 4.073 1.00 0.00 C ATOM 1416 CE LYS A 92 -1.514 -16.896 5.147 1.00 0.00 C ATOM 1417 NZ LYS A 92 -0.788 -17.124 6.416 1.00 0.00 N ATOM 0 H LYS A 92 -1.989 -15.688 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.662 -13.363 1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.319 -15.605 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.120 -14.214 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.147 -15.134 3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.809 -16.569 2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.080 -17.166 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.086 -15.600 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.326 -16.187 5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.967 -17.828 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.448 -17.487 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.029 -17.818 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.376 -16.228 6.746 1.00 0.00 H new ATOM 1430 N LEU A 93 -0.129 -12.436 -0.269 1.00 0.00 N ATOM 1431 CA LEU A 93 0.671 -11.820 -1.314 1.00 0.00 C ATOM 1432 C LEU A 93 1.946 -11.240 -0.698 1.00 0.00 C ATOM 1433 O LEU A 93 1.889 -10.532 0.307 1.00 0.00 O ATOM 1434 CB LEU A 93 -0.157 -10.795 -2.091 1.00 0.00 C ATOM 1435 CG LEU A 93 -1.143 -11.366 -3.112 1.00 0.00 C ATOM 1436 CD1 LEU A 93 -2.524 -11.573 -2.486 1.00 0.00 C ATOM 1437 CD2 LEU A 93 -1.207 -10.487 -4.363 1.00 0.00 C ATOM 0 H LEU A 93 -0.476 -11.789 0.439 1.00 0.00 H new ATOM 0 HA LEU A 93 0.980 -12.566 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.714 -10.190 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.527 -10.124 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.781 -12.346 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.205 -11.980 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.444 -12.269 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.908 -10.618 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.915 -10.915 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.532 -9.484 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.220 -10.435 -4.822 1.00 0.00 H new ATOM 1449 N VAL A 94 3.067 -11.561 -1.326 1.00 0.00 N ATOM 1450 CA VAL A 94 4.354 -11.081 -0.853 1.00 0.00 C ATOM 1451 C VAL A 94 5.030 -10.271 -1.961 1.00 0.00 C ATOM 1452 O VAL A 94 5.344 -10.806 -3.023 1.00 0.00 O ATOM 1453 CB VAL A 94 5.206 -12.256 -0.367 1.00 0.00 C ATOM 1454 CG1 VAL A 94 6.455 -11.763 0.364 1.00 0.00 C ATOM 1455 CG2 VAL A 94 4.386 -13.197 0.519 1.00 0.00 C ATOM 0 H VAL A 94 3.111 -12.148 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 94 4.223 -10.417 0.002 1.00 0.00 H new ATOM 0 HB VAL A 94 5.532 -12.818 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.042 -12.618 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.055 -11.153 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.160 -11.166 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.014 -14.023 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.017 -12.650 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.542 -13.588 -0.049 1.00 0.00 H new ATOM 1465 N THR A 95 5.235 -8.994 -1.675 1.00 0.00 N ATOM 1466 CA THR A 95 5.868 -8.104 -2.634 1.00 0.00 C ATOM 1467 C THR A 95 6.942 -7.258 -1.948 1.00 0.00 C ATOM 1468 O THR A 95 6.810 -6.911 -0.776 1.00 0.00 O ATOM 1469 CB THR A 95 4.773 -7.271 -3.301 1.00 0.00 C ATOM 1470 OG1 THR A 95 5.325 -5.959 -3.367 1.00 0.00 O ATOM 1471 CG2 THR A 95 3.536 -7.110 -2.413 1.00 0.00 C ATOM 0 H THR A 95 4.974 -8.554 -0.793 1.00 0.00 H new ATOM 0 HA THR A 95 6.388 -8.665 -3.411 1.00 0.00 H new ATOM 0 HB THR A 95 4.486 -7.738 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.824 -5.856 -4.204 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.790 -6.511 -2.934 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.120 -8.092 -2.187 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.817 -6.613 -1.485 1.00 0.00 H new ATOM 1479 N THR A 96 7.984 -6.951 -2.709 1.00 0.00 N ATOM 1480 CA THR A 96 9.079 -6.152 -2.188 1.00 0.00 C ATOM 1481 C THR A 96 9.257 -4.882 -3.025 1.00 0.00 C ATOM 1482 O THR A 96 8.800 -4.815 -4.164 1.00 0.00 O ATOM 1483 CB THR A 96 10.329 -7.033 -2.148 1.00 0.00 C ATOM 1484 OG1 THR A 96 9.841 -8.310 -1.748 1.00 0.00 O ATOM 1485 CG2 THR A 96 11.292 -6.634 -1.027 1.00 0.00 C ATOM 0 H THR A 96 8.092 -7.241 -3.681 1.00 0.00 H new ATOM 0 HA THR A 96 8.872 -5.810 -1.174 1.00 0.00 H new ATOM 0 HB THR A 96 10.844 -6.975 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.587 -8.944 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.162 -7.291 -1.043 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.613 -5.603 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.788 -6.724 -0.065 1.00 0.00 H new ATOM 1493 N PHE A 97 9.925 -3.907 -2.425 1.00 0.00 N ATOM 1494 CA PHE A 97 10.169 -2.643 -3.101 1.00 0.00 C ATOM 1495 C PHE A 97 11.556 -2.097 -2.757 1.00 0.00 C ATOM 1496 O PHE A 97 11.863 -1.862 -1.589 1.00 0.00 O ATOM 1497 CB PHE A 97 9.109 -1.658 -2.605 1.00 0.00 C ATOM 1498 CG PHE A 97 8.047 -1.308 -3.649 1.00 0.00 C ATOM 1499 CD1 PHE A 97 6.941 -2.089 -3.783 1.00 0.00 C ATOM 1500 CD2 PHE A 97 8.208 -0.216 -4.443 1.00 0.00 C ATOM 1501 CE1 PHE A 97 5.956 -1.764 -4.753 1.00 0.00 C ATOM 1502 CE2 PHE A 97 7.223 0.109 -5.413 1.00 0.00 C ATOM 1503 CZ PHE A 97 6.118 -0.673 -5.547 1.00 0.00 C ATOM 0 H PHE A 97 10.304 -3.966 -1.480 1.00 0.00 H new ATOM 0 HA PHE A 97 10.120 -2.783 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.617 -2.080 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 97 9.602 -0.741 -2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.812 -2.956 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 97 9.085 0.405 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.078 -2.384 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 97 7.351 0.976 -6.044 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.369 -0.427 -6.285 1.00 0.00 H new ATOM 1513 N LYS A 98 12.357 -1.910 -3.795 1.00 0.00 N ATOM 1514 CA LYS A 98 13.705 -1.396 -3.618 1.00 0.00 C ATOM 1515 C LYS A 98 14.363 -2.100 -2.429 1.00 0.00 C ATOM 1516 O LYS A 98 14.322 -3.326 -2.329 1.00 0.00 O ATOM 1517 CB LYS A 98 13.685 0.129 -3.495 1.00 0.00 C ATOM 1518 CG LYS A 98 12.820 0.572 -2.313 1.00 0.00 C ATOM 1519 CD LYS A 98 13.039 2.054 -1.998 1.00 0.00 C ATOM 1520 CE LYS A 98 11.951 2.917 -2.640 1.00 0.00 C ATOM 1521 NZ LYS A 98 12.374 4.335 -2.683 1.00 0.00 N ATOM 0 H LYS A 98 12.099 -2.105 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 98 14.314 -1.614 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.702 0.500 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.300 0.567 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.769 0.397 -2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.061 -0.029 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.038 2.204 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.018 2.366 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.745 2.562 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.024 2.825 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.612 4.936 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.229 4.460 -2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.578 4.607 -3.666 1.00 0.00 H new ATOM 1534 N ASN A 99 14.952 -1.295 -1.557 1.00 0.00 N ATOM 1535 CA ASN A 99 15.617 -1.826 -0.380 1.00 0.00 C ATOM 1536 C ASN A 99 14.618 -1.895 0.777 1.00 0.00 C ATOM 1537 O ASN A 99 15.013 -1.984 1.939 1.00 0.00 O ATOM 1538 CB ASN A 99 16.777 -0.926 0.050 1.00 0.00 C ATOM 1539 CG ASN A 99 18.106 -1.684 0.002 1.00 0.00 C ATOM 1540 OD1 ASN A 99 18.291 -2.616 -0.763 1.00 0.00 O ATOM 1541 ND2 ASN A 99 19.017 -1.232 0.858 1.00 0.00 N ATOM 0 H ASN A 99 14.982 -0.279 -1.642 1.00 0.00 H new ATOM 0 HA ASN A 99 16.001 -2.816 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.827 -0.055 -0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.601 -0.557 1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.937 -1.670 0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.796 -0.447 1.471 1.00 0.00 H new ATOM 1548 N ILE A 100 13.343 -1.848 0.420 1.00 0.00 N ATOM 1549 CA ILE A 100 12.285 -1.905 1.414 1.00 0.00 C ATOM 1550 C ILE A 100 11.665 -3.303 1.415 1.00 0.00 C ATOM 1551 O ILE A 100 11.395 -3.868 0.356 1.00 0.00 O ATOM 1552 CB ILE A 100 11.270 -0.783 1.180 1.00 0.00 C ATOM 1553 CG1 ILE A 100 11.964 0.579 1.118 1.00 0.00 C ATOM 1554 CG2 ILE A 100 10.164 -0.816 2.236 1.00 0.00 C ATOM 1555 CD1 ILE A 100 11.030 1.644 0.539 1.00 0.00 C ATOM 0 H ILE A 100 13.019 -1.771 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 100 12.691 -1.736 2.411 1.00 0.00 H new ATOM 0 HB ILE A 100 10.796 -0.947 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.283 0.874 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 100 12.862 0.506 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.456 -0.009 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.644 -1.773 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.602 -0.690 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.548 2.603 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 100 10.732 1.357 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.144 1.732 1.168 1.00 0.00 H new ATOM 1567 N LYS A 101 11.459 -3.824 2.616 1.00 0.00 N ATOM 1568 CA LYS A 101 10.876 -5.146 2.769 1.00 0.00 C ATOM 1569 C LYS A 101 9.370 -5.010 3.006 1.00 0.00 C ATOM 1570 O LYS A 101 8.944 -4.408 3.990 1.00 0.00 O ATOM 1571 CB LYS A 101 11.602 -5.927 3.866 1.00 0.00 C ATOM 1572 CG LYS A 101 10.676 -6.963 4.506 1.00 0.00 C ATOM 1573 CD LYS A 101 11.452 -8.222 4.902 1.00 0.00 C ATOM 1574 CE LYS A 101 10.869 -8.849 6.170 1.00 0.00 C ATOM 1575 NZ LYS A 101 11.214 -8.034 7.356 1.00 0.00 N ATOM 0 H LYS A 101 11.686 -3.354 3.492 1.00 0.00 H new ATOM 0 HA LYS A 101 11.005 -5.727 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.475 -6.425 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.965 -5.238 4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.198 -6.534 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.881 -7.226 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.420 -8.945 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.500 -7.971 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.786 -8.929 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.254 -9.861 6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.121 -8.614 8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.194 -7.695 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.570 -7.220 7.417 1.00 0.00 H new ATOM 1588 N SER A 102 8.606 -5.581 2.085 1.00 0.00 N ATOM 1589 CA SER A 102 7.157 -5.532 2.181 1.00 0.00 C ATOM 1590 C SER A 102 6.589 -6.951 2.266 1.00 0.00 C ATOM 1591 O SER A 102 7.120 -7.873 1.647 1.00 0.00 O ATOM 1592 CB SER A 102 6.551 -4.788 0.989 1.00 0.00 C ATOM 1593 OG SER A 102 7.525 -4.500 -0.011 1.00 0.00 O ATOM 0 H SER A 102 8.963 -6.079 1.270 1.00 0.00 H new ATOM 0 HA SER A 102 6.893 -4.987 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.752 -5.389 0.555 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.099 -3.858 1.334 1.00 0.00 H new ATOM 0 HG SER A 102 7.099 -4.026 -0.756 1.00 0.00 H new ATOM 1599 N VAL A 103 5.520 -7.081 3.036 1.00 0.00 N ATOM 1600 CA VAL A 103 4.876 -8.371 3.210 1.00 0.00 C ATOM 1601 C VAL A 103 3.367 -8.166 3.364 1.00 0.00 C ATOM 1602 O VAL A 103 2.921 -7.471 4.276 1.00 0.00 O ATOM 1603 CB VAL A 103 5.502 -9.114 4.391 1.00 0.00 C ATOM 1604 CG1 VAL A 103 4.784 -10.440 4.648 1.00 0.00 C ATOM 1605 CG2 VAL A 103 6.999 -9.336 4.168 1.00 0.00 C ATOM 0 H VAL A 103 5.083 -6.314 3.547 1.00 0.00 H new ATOM 0 HA VAL A 103 5.031 -8.997 2.331 1.00 0.00 H new ATOM 0 HB VAL A 103 5.384 -8.492 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.249 -10.948 5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.735 -10.248 4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.856 -11.070 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.419 -9.866 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.149 -9.927 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.497 -8.373 4.058 1.00 0.00 H new ATOM 1615 N THR A 104 2.622 -8.784 2.459 1.00 0.00 N ATOM 1616 CA THR A 104 1.174 -8.678 2.483 1.00 0.00 C ATOM 1617 C THR A 104 0.548 -10.012 2.898 1.00 0.00 C ATOM 1618 O THR A 104 0.998 -11.073 2.470 1.00 0.00 O ATOM 1619 CB THR A 104 0.712 -8.193 1.108 1.00 0.00 C ATOM 1620 OG1 THR A 104 1.889 -7.647 0.519 1.00 0.00 O ATOM 1621 CG2 THR A 104 -0.246 -7.003 1.198 1.00 0.00 C ATOM 0 H THR A 104 2.995 -9.360 1.704 1.00 0.00 H new ATOM 0 HA THR A 104 0.843 -7.954 3.227 1.00 0.00 H new ATOM 0 HB THR A 104 0.225 -9.012 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.680 -7.310 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.543 -6.698 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.130 -7.290 1.767 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.252 -6.172 1.697 1.00 0.00 H new ATOM 1629 N GLU A 105 -0.480 -9.914 3.728 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.171 -11.098 4.207 1.00 0.00 C ATOM 1631 C GLU A 105 -2.662 -10.807 4.383 1.00 0.00 C ATOM 1632 O GLU A 105 -3.036 -9.762 4.916 1.00 0.00 O ATOM 1633 CB GLU A 105 -0.553 -11.605 5.511 1.00 0.00 C ATOM 1634 CG GLU A 105 -1.174 -12.939 5.930 1.00 0.00 C ATOM 1635 CD GLU A 105 -1.563 -12.923 7.409 1.00 0.00 C ATOM 1636 OE1 GLU A 105 -0.788 -12.439 8.248 1.00 0.00 O ATOM 1637 OE2 GLU A 105 -2.715 -13.435 7.677 1.00 0.00 O ATOM 0 H GLU A 105 -0.851 -9.032 4.081 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.060 -11.886 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.523 -11.724 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.702 -10.867 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.055 -13.141 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.467 -13.747 5.745 1.00 0.00 H new ATOM 1645 N LEU A 106 -3.475 -11.749 3.927 1.00 0.00 N ATOM 1646 CA LEU A 106 -4.918 -11.606 4.029 1.00 0.00 C ATOM 1647 C LEU A 106 -5.433 -12.481 5.174 1.00 0.00 C ATOM 1648 O LEU A 106 -5.217 -13.692 5.181 1.00 0.00 O ATOM 1649 CB LEU A 106 -5.582 -11.903 2.682 1.00 0.00 C ATOM 1650 CG LEU A 106 -6.301 -10.728 2.016 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -7.478 -10.250 2.869 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -5.323 -9.595 1.702 1.00 0.00 C ATOM 0 H LEU A 106 -3.162 -12.614 3.486 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.183 -10.576 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.819 -12.272 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.301 -12.710 2.824 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.711 -11.072 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.971 -9.414 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.189 -11.066 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.113 -9.928 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.859 -8.772 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.863 -9.245 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.549 -9.959 1.027 1.00 0.00 H new ATOM 1664 N ASN A 107 -6.105 -11.832 6.115 1.00 0.00 N ATOM 1665 CA ASN A 107 -6.652 -12.536 7.263 1.00 0.00 C ATOM 1666 C ASN A 107 -8.045 -11.986 7.575 1.00 0.00 C ATOM 1667 O ASN A 107 -8.191 -10.811 7.910 1.00 0.00 O ATOM 1668 CB ASN A 107 -5.775 -12.337 8.500 1.00 0.00 C ATOM 1669 CG ASN A 107 -5.761 -13.596 9.369 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -6.384 -14.598 9.066 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -5.015 -13.487 10.466 1.00 0.00 N ATOM 0 H ASN A 107 -6.283 -10.828 6.106 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.695 -13.598 7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -4.758 -12.091 8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.146 -11.493 9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -4.940 -14.273 11.112 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.518 -12.618 10.661 1.00 0.00 H new ATOM 1678 N GLY A 108 -9.033 -12.860 7.455 1.00 0.00 N ATOM 1679 CA GLY A 108 -10.409 -12.476 7.722 1.00 0.00 C ATOM 1680 C GLY A 108 -10.828 -11.295 6.844 1.00 0.00 C ATOM 1681 O GLY A 108 -10.604 -11.307 5.634 1.00 0.00 O ATOM 0 H GLY A 108 -8.908 -13.833 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.069 -13.323 7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -10.519 -12.209 8.773 1.00 0.00 H new ATOM 1685 N ASP A 109 -11.429 -10.305 7.487 1.00 0.00 N ATOM 1686 CA ASP A 109 -11.882 -9.119 6.780 1.00 0.00 C ATOM 1687 C ASP A 109 -10.912 -7.967 7.051 1.00 0.00 C ATOM 1688 O ASP A 109 -11.220 -6.811 6.768 1.00 0.00 O ATOM 1689 CB ASP A 109 -13.271 -8.691 7.255 1.00 0.00 C ATOM 1690 CG ASP A 109 -13.596 -9.049 8.707 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -14.008 -10.180 9.008 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -13.409 -8.100 9.559 1.00 0.00 O ATOM 0 H ASP A 109 -11.613 -10.300 8.490 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.923 -9.355 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.364 -7.612 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.018 -9.150 6.607 1.00 0.00 H new ATOM 1698 N ILE A 110 -9.759 -8.323 7.598 1.00 0.00 N ATOM 1699 CA ILE A 110 -8.743 -7.333 7.911 1.00 0.00 C ATOM 1700 C ILE A 110 -7.524 -7.558 7.013 1.00 0.00 C ATOM 1701 O ILE A 110 -7.300 -8.667 6.531 1.00 0.00 O ATOM 1702 CB ILE A 110 -8.416 -7.355 9.405 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -9.604 -6.861 10.233 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -7.143 -6.560 9.701 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -9.420 -7.199 11.714 1.00 0.00 C ATOM 0 H ILE A 110 -9.506 -9.283 7.832 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.113 -6.329 7.703 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.225 -8.388 9.697 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.712 -5.783 10.113 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.523 -7.316 9.864 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.934 -6.592 10.770 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.307 -6.996 9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.280 -5.525 9.389 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.279 -6.837 12.279 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.337 -8.279 11.833 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.513 -6.722 12.086 1.00 0.00 H new ATOM 1717 N ILE A 111 -6.770 -6.487 6.815 1.00 0.00 N ATOM 1718 CA ILE A 111 -5.580 -6.554 5.983 1.00 0.00 C ATOM 1719 C ILE A 111 -4.430 -5.829 6.686 1.00 0.00 C ATOM 1720 O ILE A 111 -4.504 -4.624 6.924 1.00 0.00 O ATOM 1721 CB ILE A 111 -5.876 -6.020 4.580 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -6.995 -6.823 3.913 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -4.607 -5.987 3.726 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -7.633 -6.031 2.770 1.00 0.00 C ATOM 0 H ILE A 111 -6.959 -5.568 7.216 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.269 -7.590 5.846 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.228 -4.992 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.595 -7.762 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.755 -7.078 4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.846 -5.604 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.868 -5.339 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.202 -6.995 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -8.425 -6.625 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.053 -5.104 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.876 -5.799 2.021 1.00 0.00 H new ATOM 1736 N THR A 112 -3.394 -6.594 6.999 1.00 0.00 N ATOM 1737 CA THR A 112 -2.231 -6.040 7.670 1.00 0.00 C ATOM 1738 C THR A 112 -1.096 -5.813 6.669 1.00 0.00 C ATOM 1739 O THR A 112 -0.883 -6.627 5.772 1.00 0.00 O ATOM 1740 CB THR A 112 -1.853 -6.981 8.815 1.00 0.00 C ATOM 1741 OG1 THR A 112 -2.851 -6.746 9.802 1.00 0.00 O ATOM 1742 CG2 THR A 112 -0.547 -6.574 9.501 1.00 0.00 C ATOM 0 H THR A 112 -3.336 -7.593 6.800 1.00 0.00 H new ATOM 0 HA THR A 112 -2.448 -5.060 8.095 1.00 0.00 H new ATOM 0 HB THR A 112 -1.761 -7.998 8.433 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.683 -7.318 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.325 -7.275 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.265 -6.587 8.774 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.650 -5.570 9.912 1.00 0.00 H new ATOM 1750 N ASN A 113 -0.397 -4.703 6.857 1.00 0.00 N ATOM 1751 CA ASN A 113 0.710 -4.359 5.982 1.00 0.00 C ATOM 1752 C ASN A 113 1.956 -4.083 6.827 1.00 0.00 C ATOM 1753 O ASN A 113 1.903 -3.311 7.783 1.00 0.00 O ATOM 1754 CB ASN A 113 0.401 -3.098 5.171 1.00 0.00 C ATOM 1755 CG ASN A 113 1.168 -3.097 3.848 1.00 0.00 C ATOM 1756 OD1 ASN A 113 2.005 -3.944 3.583 1.00 0.00 O ATOM 1757 ND2 ASN A 113 0.838 -2.099 3.033 1.00 0.00 N ATOM 0 H ASN A 113 -0.576 -4.030 7.603 1.00 0.00 H new ATOM 0 HA ASN A 113 0.873 -5.195 5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.670 -3.040 4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.667 -2.214 5.751 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.294 -2.010 2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.128 -1.423 3.316 1.00 0.00 H new ATOM 1764 N THR A 114 3.046 -4.731 6.444 1.00 0.00 N ATOM 1765 CA THR A 114 4.303 -4.565 7.155 1.00 0.00 C ATOM 1766 C THR A 114 5.227 -3.614 6.392 1.00 0.00 C ATOM 1767 O THR A 114 5.476 -3.806 5.202 1.00 0.00 O ATOM 1768 CB THR A 114 4.909 -5.953 7.376 1.00 0.00 C ATOM 1769 OG1 THR A 114 4.555 -6.676 6.200 1.00 0.00 O ATOM 1770 CG2 THR A 114 4.219 -6.719 8.506 1.00 0.00 C ATOM 0 H THR A 114 3.085 -5.372 5.651 1.00 0.00 H new ATOM 0 HA THR A 114 4.147 -4.103 8.130 1.00 0.00 H new ATOM 0 HB THR A 114 5.971 -5.855 7.600 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.780 -7.245 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.687 -7.697 8.621 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.314 -6.159 9.436 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.163 -6.848 8.267 1.00 0.00 H new ATOM 1778 N MET A 115 5.709 -2.608 7.106 1.00 0.00 N ATOM 1779 CA MET A 115 6.599 -1.626 6.511 1.00 0.00 C ATOM 1780 C MET A 115 7.832 -1.400 7.388 1.00 0.00 C ATOM 1781 O MET A 115 7.707 -1.087 8.571 1.00 0.00 O ATOM 1782 CB MET A 115 5.852 -0.303 6.328 1.00 0.00 C ATOM 1783 CG MET A 115 4.919 -0.362 5.117 1.00 0.00 C ATOM 1784 SD MET A 115 5.869 -0.612 3.627 1.00 0.00 S ATOM 1785 CE MET A 115 4.951 0.421 2.497 1.00 0.00 C ATOM 0 H MET A 115 5.500 -2.452 8.092 1.00 0.00 H new ATOM 0 HA MET A 115 6.930 -2.003 5.543 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.275 -0.080 7.225 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.568 0.508 6.200 1.00 0.00 H new ATOM 0 HG2 MET A 115 4.200 -1.172 5.240 1.00 0.00 H new ATOM 0 HG3 MET A 115 4.347 0.563 5.043 1.00 0.00 H new ATOM 0 HE1 MET A 115 5.412 0.381 1.510 1.00 0.00 H new ATOM 0 HE2 MET A 115 3.923 0.065 2.432 1.00 0.00 H new ATOM 0 HE3 MET A 115 4.956 1.449 2.858 1.00 0.00 H new ATOM 1795 N THR A 116 8.994 -1.568 6.774 1.00 0.00 N ATOM 1796 CA THR A 116 10.248 -1.386 7.485 1.00 0.00 C ATOM 1797 C THR A 116 11.126 -0.360 6.764 1.00 0.00 C ATOM 1798 O THR A 116 11.387 -0.492 5.569 1.00 0.00 O ATOM 1799 CB THR A 116 10.912 -2.756 7.633 1.00 0.00 C ATOM 1800 OG1 THR A 116 12.299 -2.459 7.763 1.00 0.00 O ATOM 1801 CG2 THR A 116 10.828 -3.588 6.351 1.00 0.00 C ATOM 0 H THR A 116 9.093 -1.828 5.793 1.00 0.00 H new ATOM 0 HA THR A 116 10.081 -0.981 8.483 1.00 0.00 H new ATOM 0 HB THR A 116 10.441 -3.300 8.452 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.804 -3.293 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.314 -4.551 6.510 1.00 0.00 H new ATOM 0 HG22 THR A 116 9.782 -3.748 6.089 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.328 -3.058 5.540 1.00 0.00 H new ATOM 1809 N LEU A 117 11.557 0.639 7.521 1.00 0.00 N ATOM 1810 CA LEU A 117 12.399 1.686 6.970 1.00 0.00 C ATOM 1811 C LEU A 117 13.678 1.798 7.803 1.00 0.00 C ATOM 1812 O LEU A 117 13.671 2.391 8.880 1.00 0.00 O ATOM 1813 CB LEU A 117 11.621 2.997 6.860 1.00 0.00 C ATOM 1814 CG LEU A 117 11.945 3.870 5.645 1.00 0.00 C ATOM 1815 CD1 LEU A 117 10.999 3.564 4.482 1.00 0.00 C ATOM 1816 CD2 LEU A 117 11.933 5.354 6.017 1.00 0.00 C ATOM 0 H LEU A 117 11.338 0.745 8.512 1.00 0.00 H new ATOM 0 HA LEU A 117 12.701 1.435 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.556 2.764 6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.804 3.582 7.762 1.00 0.00 H new ATOM 0 HG LEU A 117 12.954 3.629 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.251 4.198 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.100 2.517 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.971 3.759 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.166 5.952 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.946 5.628 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.678 5.541 6.790 1.00 0.00 H new ATOM 1828 N GLY A 118 14.744 1.218 7.273 1.00 0.00 N ATOM 1829 CA GLY A 118 16.028 1.244 7.954 1.00 0.00 C ATOM 1830 C GLY A 118 15.955 0.504 9.291 1.00 0.00 C ATOM 1831 O GLY A 118 16.388 -0.643 9.394 1.00 0.00 O ATOM 0 H GLY A 118 14.746 0.727 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 118 16.788 0.786 7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 118 16.334 2.277 8.122 1.00 0.00 H new ATOM 1835 N ASP A 119 15.402 1.189 10.281 1.00 0.00 N ATOM 1836 CA ASP A 119 15.266 0.610 11.607 1.00 0.00 C ATOM 1837 C ASP A 119 13.899 0.984 12.184 1.00 0.00 C ATOM 1838 O ASP A 119 13.698 0.935 13.397 1.00 0.00 O ATOM 1839 CB ASP A 119 16.342 1.146 12.554 1.00 0.00 C ATOM 1840 CG ASP A 119 16.407 2.670 12.663 1.00 0.00 C ATOM 1841 OD1 ASP A 119 16.236 3.389 11.667 1.00 0.00 O ATOM 1842 OD2 ASP A 119 16.649 3.122 13.847 1.00 0.00 O ATOM 0 H ASP A 119 15.043 2.139 10.192 1.00 0.00 H new ATOM 0 HA ASP A 119 15.371 -0.471 11.516 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.168 0.733 13.548 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.313 0.779 12.221 1.00 0.00 H new ATOM 1848 N ILE A 120 12.994 1.349 11.288 1.00 0.00 N ATOM 1849 CA ILE A 120 11.651 1.730 11.694 1.00 0.00 C ATOM 1850 C ILE A 120 10.642 0.763 11.074 1.00 0.00 C ATOM 1851 O ILE A 120 10.550 0.654 9.851 1.00 0.00 O ATOM 1852 CB ILE A 120 11.386 3.198 11.352 1.00 0.00 C ATOM 1853 CG1 ILE A 120 12.555 4.083 11.790 1.00 0.00 C ATOM 1854 CG2 ILE A 120 10.058 3.668 11.948 1.00 0.00 C ATOM 1855 CD1 ILE A 120 12.350 5.528 11.332 1.00 0.00 C ATOM 0 H ILE A 120 13.164 1.389 10.283 1.00 0.00 H new ATOM 0 HA ILE A 120 11.543 1.653 12.776 1.00 0.00 H new ATOM 0 HB ILE A 120 11.303 3.287 10.269 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.653 4.052 12.875 1.00 0.00 H new ATOM 0 HG13 ILE A 120 13.485 3.695 11.375 1.00 0.00 H new ATOM 0 HG21 ILE A 120 9.894 4.714 11.690 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.245 3.063 11.547 1.00 0.00 H new ATOM 0 HG23 ILE A 120 10.088 3.562 13.032 1.00 0.00 H new ATOM 0 HD11 ILE A 120 13.195 6.136 11.656 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.277 5.558 10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.432 5.921 11.768 1.00 0.00 H new ATOM 1867 N VAL A 121 9.909 0.084 11.944 1.00 0.00 N ATOM 1868 CA VAL A 121 8.909 -0.871 11.498 1.00 0.00 C ATOM 1869 C VAL A 121 7.519 -0.369 11.892 1.00 0.00 C ATOM 1870 O VAL A 121 7.277 -0.054 13.056 1.00 0.00 O ATOM 1871 CB VAL A 121 9.225 -2.260 12.058 1.00 0.00 C ATOM 1872 CG1 VAL A 121 9.010 -2.303 13.572 1.00 0.00 C ATOM 1873 CG2 VAL A 121 8.395 -3.336 11.355 1.00 0.00 C ATOM 0 H VAL A 121 9.988 0.176 12.957 1.00 0.00 H new ATOM 0 HA VAL A 121 8.925 -0.962 10.412 1.00 0.00 H new ATOM 0 HB VAL A 121 10.277 -2.468 11.864 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.242 -3.301 13.944 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.664 -1.576 14.053 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.971 -2.063 13.799 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.639 -4.313 11.771 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.335 -3.132 11.503 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.620 -3.330 10.288 1.00 0.00 H new ATOM 1883 N PHE A 122 6.642 -0.313 10.900 1.00 0.00 N ATOM 1884 CA PHE A 122 5.282 0.144 11.130 1.00 0.00 C ATOM 1885 C PHE A 122 4.272 -0.960 10.813 1.00 0.00 C ATOM 1886 O PHE A 122 4.620 -1.969 10.202 1.00 0.00 O ATOM 1887 CB PHE A 122 5.042 1.324 10.185 1.00 0.00 C ATOM 1888 CG PHE A 122 5.879 2.563 10.512 1.00 0.00 C ATOM 1889 CD1 PHE A 122 5.820 3.116 11.753 1.00 0.00 C ATOM 1890 CD2 PHE A 122 6.683 3.109 9.561 1.00 0.00 C ATOM 1891 CE1 PHE A 122 6.597 4.265 12.056 1.00 0.00 C ATOM 1892 CE2 PHE A 122 7.460 4.260 9.864 1.00 0.00 C ATOM 1893 CZ PHE A 122 7.401 4.813 11.105 1.00 0.00 C ATOM 0 H PHE A 122 6.847 -0.576 9.936 1.00 0.00 H new ATOM 0 HA PHE A 122 5.156 0.426 12.175 1.00 0.00 H new ATOM 0 HB2 PHE A 122 5.261 1.009 9.165 1.00 0.00 H new ATOM 0 HB3 PHE A 122 3.986 1.593 10.217 1.00 0.00 H new ATOM 0 HD1 PHE A 122 5.182 2.681 12.508 1.00 0.00 H new ATOM 0 HD2 PHE A 122 6.731 2.668 8.576 1.00 0.00 H new ATOM 0 HE1 PHE A 122 6.550 4.704 13.042 1.00 0.00 H new ATOM 0 HE2 PHE A 122 8.097 4.695 9.109 1.00 0.00 H new ATOM 0 HZ PHE A 122 7.992 5.687 11.336 1.00 0.00 H new ATOM 1903 N LYS A 123 3.039 -0.732 11.245 1.00 0.00 N ATOM 1904 CA LYS A 123 1.976 -1.695 11.015 1.00 0.00 C ATOM 1905 C LYS A 123 0.725 -0.960 10.530 1.00 0.00 C ATOM 1906 O LYS A 123 0.571 0.236 10.770 1.00 0.00 O ATOM 1907 CB LYS A 123 1.744 -2.545 12.266 1.00 0.00 C ATOM 1908 CG LYS A 123 1.619 -4.027 11.907 1.00 0.00 C ATOM 1909 CD LYS A 123 1.734 -4.904 13.154 1.00 0.00 C ATOM 1910 CE LYS A 123 1.326 -6.347 12.850 1.00 0.00 C ATOM 1911 NZ LYS A 123 -0.150 -6.471 12.810 1.00 0.00 N ATOM 0 H LYS A 123 2.754 0.105 11.753 1.00 0.00 H new ATOM 0 HA LYS A 123 2.259 -2.396 10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 123 2.570 -2.405 12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.838 -2.212 12.773 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.661 -4.207 11.418 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.397 -4.299 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.759 -4.883 13.525 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.101 -4.502 13.945 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.749 -6.657 11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 123 1.733 -7.014 13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -0.410 -7.453 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.545 -6.211 13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.532 -5.836 12.080 1.00 0.00 H new ATOM 1924 N ARG A 124 -0.137 -1.708 9.857 1.00 0.00 N ATOM 1925 CA ARG A 124 -1.370 -1.143 9.335 1.00 0.00 C ATOM 1926 C ARG A 124 -2.545 -2.081 9.616 1.00 0.00 C ATOM 1927 O ARG A 124 -2.418 -3.298 9.482 1.00 0.00 O ATOM 1928 CB ARG A 124 -1.271 -0.898 7.828 1.00 0.00 C ATOM 1929 CG ARG A 124 -2.283 0.155 7.375 1.00 0.00 C ATOM 1930 CD ARG A 124 -1.660 1.115 6.359 1.00 0.00 C ATOM 1931 NE ARG A 124 -2.636 2.164 5.990 1.00 0.00 N ATOM 1932 CZ ARG A 124 -2.905 3.248 6.748 1.00 0.00 C ATOM 1933 NH1 ARG A 124 -2.272 3.435 7.926 1.00 0.00 N ATOM 1934 NH2 ARG A 124 -3.796 4.124 6.320 1.00 0.00 N ATOM 0 H ARG A 124 -0.006 -2.700 9.661 1.00 0.00 H new ATOM 0 HA ARG A 124 -1.534 -0.189 9.836 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -0.263 -0.571 7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -1.447 -1.831 7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.150 -0.336 6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.640 0.716 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -0.764 1.572 6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -1.350 0.566 5.470 1.00 0.00 H new ATOM 0 HE ARG A 124 -3.137 2.062 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -1.585 2.754 8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -2.481 4.257 8.493 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.269 3.976 5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -4.011 4.948 6.881 1.00 0.00 H new ATOM 1947 N ILE A 125 -3.663 -1.482 10.000 1.00 0.00 N ATOM 1948 CA ILE A 125 -4.859 -2.249 10.301 1.00 0.00 C ATOM 1949 C ILE A 125 -6.054 -1.627 9.576 1.00 0.00 C ATOM 1950 O ILE A 125 -6.332 -0.440 9.734 1.00 0.00 O ATOM 1951 CB ILE A 125 -5.052 -2.369 11.814 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -3.840 -3.032 12.471 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -6.354 -3.101 12.144 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -2.904 -1.985 13.078 1.00 0.00 C ATOM 0 H ILE A 125 -3.765 -0.473 10.110 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.759 -3.270 9.934 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.133 -1.364 12.228 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.174 -3.720 13.248 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.299 -3.623 11.732 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.467 -3.173 13.226 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.197 -2.550 11.727 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.327 -4.103 11.715 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.051 -2.483 13.539 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.553 -1.313 12.295 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.441 -1.412 13.834 1.00 0.00 H new ATOM 1966 N SER A 126 -6.729 -2.458 8.795 1.00 0.00 N ATOM 1967 CA SER A 126 -7.888 -2.005 8.044 1.00 0.00 C ATOM 1968 C SER A 126 -8.840 -3.177 7.793 1.00 0.00 C ATOM 1969 O SER A 126 -8.428 -4.216 7.279 1.00 0.00 O ATOM 1970 CB SER A 126 -7.470 -1.367 6.718 1.00 0.00 C ATOM 1971 OG SER A 126 -6.568 -0.281 6.909 1.00 0.00 O ATOM 0 H SER A 126 -6.495 -3.442 8.666 1.00 0.00 H new ATOM 0 HA SER A 126 -8.403 -1.247 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.001 -2.120 6.085 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.356 -1.014 6.190 1.00 0.00 H new ATOM 0 HG SER A 126 -6.324 0.098 6.039 1.00 0.00 H new ATOM 1977 N LYS A 127 -10.093 -2.969 8.168 1.00 0.00 N ATOM 1978 CA LYS A 127 -11.107 -3.996 7.990 1.00 0.00 C ATOM 1979 C LYS A 127 -11.923 -3.687 6.734 1.00 0.00 C ATOM 1980 O LYS A 127 -11.818 -2.598 6.173 1.00 0.00 O ATOM 1981 CB LYS A 127 -11.955 -4.136 9.256 1.00 0.00 C ATOM 1982 CG LYS A 127 -12.840 -2.906 9.463 1.00 0.00 C ATOM 1983 CD LYS A 127 -14.269 -3.312 9.828 1.00 0.00 C ATOM 1984 CE LYS A 127 -15.287 -2.350 9.214 1.00 0.00 C ATOM 1985 NZ LYS A 127 -15.907 -1.512 10.265 1.00 0.00 N ATOM 0 H LYS A 127 -10.430 -2.106 8.594 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.642 -4.970 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.577 -5.028 9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.305 -4.270 10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -12.422 -2.282 10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.850 -2.304 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.464 -4.325 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -14.382 -3.323 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -14.797 -1.715 8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -16.058 -2.914 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.596 -0.864 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -16.391 -2.122 10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -15.170 -0.960 10.749 1.00 0.00 H new ATOM 1998 N ARG A 128 -12.719 -4.666 6.329 1.00 0.00 N ATOM 1999 CA ARG A 128 -13.553 -4.513 5.149 1.00 0.00 C ATOM 2000 C ARG A 128 -14.653 -3.480 5.407 1.00 0.00 C ATOM 2001 O ARG A 128 -15.312 -3.516 6.445 1.00 0.00 O ATOM 2002 CB ARG A 128 -14.196 -5.844 4.753 1.00 0.00 C ATOM 2003 CG ARG A 128 -14.281 -5.979 3.231 1.00 0.00 C ATOM 2004 CD ARG A 128 -15.497 -6.811 2.821 1.00 0.00 C ATOM 2005 NE ARG A 128 -15.262 -7.435 1.500 1.00 0.00 N ATOM 2006 CZ ARG A 128 -14.624 -8.611 1.321 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -14.151 -9.302 2.380 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -14.469 -9.076 0.095 1.00 0.00 N ATOM 0 H ARG A 128 -12.804 -5.568 6.797 1.00 0.00 H new ATOM 0 HA ARG A 128 -12.915 -4.174 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -13.614 -6.670 5.163 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -15.195 -5.912 5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -14.343 -4.990 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -13.372 -6.446 2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -15.689 -7.582 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -16.384 -6.178 2.781 1.00 0.00 H new ATOM 0 HE ARG A 128 -15.604 -6.946 0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -14.275 -8.936 3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -13.670 -10.190 2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -14.829 -8.548 -0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -13.989 -9.963 -0.057 1.00 0.00 H new ATOM 2021 N ILE A 129 -14.817 -2.585 4.445 1.00 0.00 N ATOM 2022 CA ILE A 129 -15.825 -1.544 4.555 1.00 0.00 C ATOM 2023 C ILE A 129 -15.677 -0.837 5.902 1.00 0.00 C ATOM 2024 O ILE A 129 -16.546 -0.947 6.765 1.00 0.00 O ATOM 2025 CB ILE A 129 -17.221 -2.124 4.314 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -17.412 -2.504 2.844 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -18.306 -1.160 4.802 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -18.486 -3.583 2.693 1.00 0.00 C ATOM 0 H ILE A 129 -14.269 -2.559 3.585 1.00 0.00 H new ATOM 0 HA ILE A 129 -15.680 -0.789 3.782 1.00 0.00 H new ATOM 0 HB ILE A 129 -17.316 -3.040 4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -17.695 -1.621 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -16.469 -2.864 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -19.288 -1.595 4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -18.181 -0.982 5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -18.222 -0.216 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -18.603 -3.835 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -18.189 -4.473 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -19.433 -3.211 3.084 1.00 0.00 H new