USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.6) USER MOD Single : A 13 SER OG : rot 49:sc= 0.495 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.31 K(o=-2.3,f=-11!) USER MOD Single : A 19 TYR OH : rot 180:sc= -2.72! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 100:sc= -0.681 USER MOD Single : A 23 TYR OH : rot 180:sc= -3.66! USER MOD Single : A 25 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.014) USER MOD Single : A 30 ASN : amide:sc= -1.45 K(o=-1.5,f=0.16) USER MOD Single : A 31 THR OG1 : rot -73:sc= -0.498 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -85:sc= -0.635 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 5:sc= 0.765 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.2) USER MOD Single : A 82 CYS SG : rot -118:sc= -1.69 USER MOD Single : A 84 GLN : amide:sc= -0.42 K(o=-0.42,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -0.762 K(o=-0.76,f=-2.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -140:sc= 0 USER MOD Single : A 95 SER OG : rot -60:sc= 0.934 USER MOD Single : A 104 HIS : no HD1:sc= -0.495 X(o=-0.5,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 1.405 -2.309 -6.788 1.00 0.00 N ATOM 32 CA LEU A 9 1.612 -1.950 -8.181 1.00 0.00 C ATOM 33 C LEU A 9 0.978 -0.584 -8.451 1.00 0.00 C ATOM 34 O LEU A 9 1.562 0.250 -9.141 1.00 0.00 O ATOM 35 CB LEU A 9 1.098 -3.059 -9.102 1.00 0.00 C ATOM 36 CG LEU A 9 1.238 -4.488 -8.574 1.00 0.00 C ATOM 37 CD1 LEU A 9 1.136 -5.505 -9.711 1.00 0.00 C ATOM 38 CD2 LEU A 9 2.531 -4.652 -7.772 1.00 0.00 C ATOM 0 HA LEU A 9 2.676 -1.856 -8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.045 -2.872 -9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.628 -2.990 -10.052 1.00 0.00 H new ATOM 0 HG LEU A 9 0.410 -4.683 -7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.239 -6.513 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.167 -5.407 -10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.929 -5.321 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.606 -5.677 -7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.386 -4.430 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.523 -3.966 -6.925 1.00 0.00 H new ATOM 50 N THR A 10 -0.209 -0.397 -7.893 1.00 0.00 N ATOM 51 CA THR A 10 -0.929 0.853 -8.065 1.00 0.00 C ATOM 52 C THR A 10 -0.001 2.042 -7.808 1.00 0.00 C ATOM 53 O THR A 10 0.129 2.927 -8.653 1.00 0.00 O ATOM 54 CB THR A 10 -2.150 0.826 -7.144 1.00 0.00 C ATOM 55 OG1 THR A 10 -3.053 -0.067 -7.790 1.00 0.00 O ATOM 56 CG2 THR A 10 -2.898 2.161 -7.124 1.00 0.00 C ATOM 0 H THR A 10 -0.690 -1.091 -7.321 1.00 0.00 H new ATOM 0 HA THR A 10 -1.280 0.970 -9.090 1.00 0.00 H new ATOM 0 HB THR A 10 -1.835 0.570 -6.132 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.873 -0.145 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.756 2.088 -6.455 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.230 2.947 -6.772 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.242 2.400 -8.130 1.00 0.00 H new ATOM 64 N GLN A 11 0.621 2.025 -6.638 1.00 0.00 N ATOM 65 CA GLN A 11 1.534 3.090 -6.260 1.00 0.00 C ATOM 66 C GLN A 11 2.869 2.930 -6.990 1.00 0.00 C ATOM 67 O GLN A 11 3.531 3.918 -7.304 1.00 0.00 O ATOM 68 CB GLN A 11 1.738 3.125 -4.744 1.00 0.00 C ATOM 69 CG GLN A 11 1.091 4.368 -4.132 1.00 0.00 C ATOM 70 CD GLN A 11 1.755 5.645 -4.651 1.00 0.00 C ATOM 71 OE1 GLN A 11 1.288 6.285 -5.579 1.00 0.00 O ATOM 72 NE2 GLN A 11 2.868 5.978 -4.004 1.00 0.00 N ATOM 0 H GLN A 11 0.510 1.290 -5.939 1.00 0.00 H new ATOM 0 HA GLN A 11 1.093 4.042 -6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.309 2.229 -4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.804 3.116 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.028 4.384 -4.371 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.173 4.327 -3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.204 5.398 -3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.386 6.814 -4.276 1.00 0.00 H new ATOM 81 N LEU A 12 3.224 1.678 -7.239 1.00 0.00 N ATOM 82 CA LEU A 12 4.468 1.376 -7.926 1.00 0.00 C ATOM 83 C LEU A 12 4.562 2.221 -9.198 1.00 0.00 C ATOM 84 O LEU A 12 5.624 2.754 -9.517 1.00 0.00 O ATOM 85 CB LEU A 12 4.590 -0.128 -8.176 1.00 0.00 C ATOM 86 CG LEU A 12 6.005 -0.707 -8.110 1.00 0.00 C ATOM 87 CD1 LEU A 12 6.930 -0.010 -9.109 1.00 0.00 C ATOM 88 CD2 LEU A 12 6.555 -0.649 -6.683 1.00 0.00 C ATOM 0 H LEU A 12 2.672 0.861 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 12 5.322 1.642 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.971 -0.649 -7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.175 -0.347 -9.160 1.00 0.00 H new ATOM 0 HG LEU A 12 5.957 -1.758 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.929 -0.441 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.544 -0.147 -10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.977 1.055 -8.880 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.562 -1.067 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.586 0.387 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.910 -1.226 -6.021 1.00 0.00 H new ATOM 100 N SER A 13 3.436 2.317 -9.890 1.00 0.00 N ATOM 101 CA SER A 13 3.378 3.088 -11.120 1.00 0.00 C ATOM 102 C SER A 13 1.925 3.229 -11.581 1.00 0.00 C ATOM 103 O SER A 13 1.581 2.828 -12.691 1.00 0.00 O ATOM 104 CB SER A 13 4.222 2.438 -12.218 1.00 0.00 C ATOM 105 OG SER A 13 5.495 3.063 -12.353 1.00 0.00 O ATOM 0 H SER A 13 2.557 1.874 -9.622 1.00 0.00 H new ATOM 0 HA SER A 13 3.788 4.078 -10.922 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.359 1.381 -11.992 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.688 2.494 -13.167 1.00 0.00 H new ATOM 0 HG SER A 13 5.913 3.149 -11.471 1.00 0.00 H new ATOM 111 N SER A 14 1.113 3.802 -10.704 1.00 0.00 N ATOM 112 CA SER A 14 -0.294 4.001 -11.007 1.00 0.00 C ATOM 113 C SER A 14 -0.938 2.670 -11.401 1.00 0.00 C ATOM 114 O SER A 14 -2.004 2.650 -12.014 1.00 0.00 O ATOM 115 CB SER A 14 -0.477 5.030 -12.124 1.00 0.00 C ATOM 116 OG SER A 14 -1.232 6.159 -11.691 1.00 0.00 O ATOM 0 H SER A 14 1.403 4.134 -9.784 1.00 0.00 H new ATOM 0 HA SER A 14 -0.785 4.384 -10.113 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.500 5.361 -12.476 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.979 4.561 -12.970 1.00 0.00 H new ATOM 0 HG SER A 14 -1.325 6.794 -12.432 1.00 0.00 H new ATOM 122 N GLY A 15 -0.264 1.591 -11.032 1.00 0.00 N ATOM 123 CA GLY A 15 -0.757 0.259 -11.339 1.00 0.00 C ATOM 124 C GLY A 15 -0.500 -0.096 -12.805 1.00 0.00 C ATOM 125 O GLY A 15 -1.257 -0.858 -13.405 1.00 0.00 O ATOM 0 H GLY A 15 0.620 1.612 -10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.269 -0.471 -10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.825 0.206 -11.130 1.00 0.00 H new ATOM 129 N ASN A 16 0.571 0.473 -13.339 1.00 0.00 N ATOM 130 CA ASN A 16 0.938 0.225 -14.723 1.00 0.00 C ATOM 131 C ASN A 16 1.090 -1.281 -14.945 1.00 0.00 C ATOM 132 O ASN A 16 1.903 -1.929 -14.288 1.00 0.00 O ATOM 133 CB ASN A 16 2.271 0.891 -15.067 1.00 0.00 C ATOM 134 CG ASN A 16 2.373 1.172 -16.568 1.00 0.00 C ATOM 135 OD1 ASN A 16 1.944 0.393 -17.402 1.00 0.00 O ATOM 136 ND2 ASN A 16 2.965 2.327 -16.863 1.00 0.00 N ATOM 0 H ASN A 16 1.196 1.105 -12.838 1.00 0.00 H new ATOM 0 HA ASN A 16 0.154 0.638 -15.358 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.370 1.824 -14.511 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.094 0.247 -14.757 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.082 2.606 -17.837 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.302 2.933 -16.115 1.00 0.00 H new ATOM 143 N PRO A 17 0.274 -1.807 -15.897 1.00 0.00 N ATOM 144 CA PRO A 17 0.310 -3.225 -16.213 1.00 0.00 C ATOM 145 C PRO A 17 1.552 -3.571 -17.037 1.00 0.00 C ATOM 146 O PRO A 17 1.743 -4.723 -17.425 1.00 0.00 O ATOM 147 CB PRO A 17 -0.989 -3.496 -16.954 1.00 0.00 C ATOM 148 CG PRO A 17 -1.487 -2.142 -17.432 1.00 0.00 C ATOM 149 CD PRO A 17 -0.702 -1.070 -16.694 1.00 0.00 C ATOM 0 HA PRO A 17 0.384 -3.853 -15.325 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.826 -4.171 -17.794 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.720 -3.972 -16.300 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.349 -2.043 -18.509 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.554 -2.037 -17.236 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.212 -0.389 -17.390 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.354 -0.466 -16.063 1.00 0.00 H new ATOM 157 N VAL A 18 2.364 -2.553 -17.281 1.00 0.00 N ATOM 158 CA VAL A 18 3.582 -2.735 -18.052 1.00 0.00 C ATOM 159 C VAL A 18 4.446 -3.809 -17.387 1.00 0.00 C ATOM 160 O VAL A 18 5.006 -4.668 -18.066 1.00 0.00 O ATOM 161 CB VAL A 18 4.307 -1.397 -18.208 1.00 0.00 C ATOM 162 CG1 VAL A 18 4.805 -0.882 -16.856 1.00 0.00 C ATOM 163 CG2 VAL A 18 5.459 -1.511 -19.209 1.00 0.00 C ATOM 0 H VAL A 18 2.202 -1.599 -16.958 1.00 0.00 H new ATOM 0 HA VAL A 18 3.349 -3.083 -19.058 1.00 0.00 H new ATOM 0 HB VAL A 18 3.593 -0.673 -18.600 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.317 0.070 -16.995 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.957 -0.744 -16.185 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.496 -1.605 -16.423 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.958 -0.546 -19.301 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.173 -2.256 -18.859 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.068 -1.812 -20.181 1.00 0.00 H new ATOM 173 N TYR A 19 4.526 -3.725 -16.067 1.00 0.00 N ATOM 174 CA TYR A 19 5.312 -4.679 -15.303 1.00 0.00 C ATOM 175 C TYR A 19 4.700 -6.079 -15.378 1.00 0.00 C ATOM 176 O TYR A 19 5.420 -7.076 -15.391 1.00 0.00 O ATOM 177 CB TYR A 19 5.269 -4.194 -13.852 1.00 0.00 C ATOM 178 CG TYR A 19 6.327 -3.140 -13.517 1.00 0.00 C ATOM 179 CD1 TYR A 19 7.667 -3.456 -13.605 1.00 0.00 C ATOM 180 CD2 TYR A 19 5.940 -1.875 -13.126 1.00 0.00 C ATOM 181 CE1 TYR A 19 8.663 -2.464 -13.289 1.00 0.00 C ATOM 182 CE2 TYR A 19 6.935 -0.883 -12.811 1.00 0.00 C ATOM 183 CZ TYR A 19 8.247 -1.227 -12.908 1.00 0.00 C ATOM 184 OH TYR A 19 9.187 -0.290 -12.610 1.00 0.00 O ATOM 0 H TYR A 19 4.060 -3.011 -15.507 1.00 0.00 H new ATOM 0 HA TYR A 19 6.328 -4.740 -15.694 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.281 -3.781 -13.647 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.401 -5.050 -13.190 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.969 -4.447 -13.911 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.891 -1.629 -13.056 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.715 -2.698 -13.353 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.646 0.111 -12.505 1.00 0.00 H new ATOM 0 HH TYR A 19 8.745 0.547 -12.355 1.00 0.00 H new ATOM 194 N GLU A 20 3.376 -6.109 -15.427 1.00 0.00 N ATOM 195 CA GLU A 20 2.658 -7.371 -15.501 1.00 0.00 C ATOM 196 C GLU A 20 3.137 -8.184 -16.706 1.00 0.00 C ATOM 197 O GLU A 20 3.179 -9.412 -16.653 1.00 0.00 O ATOM 198 CB GLU A 20 1.147 -7.139 -15.561 1.00 0.00 C ATOM 199 CG GLU A 20 0.451 -7.747 -14.342 1.00 0.00 C ATOM 200 CD GLU A 20 -0.207 -9.082 -14.695 1.00 0.00 C ATOM 201 OE1 GLU A 20 0.043 -9.629 -15.779 1.00 0.00 O ATOM 202 OE2 GLU A 20 -1.003 -9.552 -13.795 1.00 0.00 O ATOM 0 H GLU A 20 2.782 -5.280 -15.417 1.00 0.00 H new ATOM 0 HA GLU A 20 2.869 -7.941 -14.596 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.941 -6.070 -15.606 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.743 -7.580 -16.472 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.176 -7.895 -13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.302 -7.055 -13.966 1.00 0.00 H new ATOM 210 N LYS A 21 3.486 -7.465 -17.763 1.00 0.00 N ATOM 211 CA LYS A 21 3.960 -8.105 -18.979 1.00 0.00 C ATOM 212 C LYS A 21 5.237 -8.890 -18.672 1.00 0.00 C ATOM 213 O LYS A 21 5.443 -9.978 -19.206 1.00 0.00 O ATOM 214 CB LYS A 21 4.125 -7.074 -20.097 1.00 0.00 C ATOM 215 CG LYS A 21 5.540 -7.116 -20.677 1.00 0.00 C ATOM 216 CD LYS A 21 5.630 -6.292 -21.963 1.00 0.00 C ATOM 217 CE LYS A 21 6.944 -5.510 -22.022 1.00 0.00 C ATOM 218 NZ LYS A 21 7.002 -4.685 -23.249 1.00 0.00 N ATOM 0 H LYS A 21 3.450 -6.446 -17.803 1.00 0.00 H new ATOM 0 HA LYS A 21 3.225 -8.822 -19.344 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.399 -7.269 -20.886 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.916 -6.077 -19.710 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.249 -6.731 -19.944 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.822 -8.149 -20.882 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.556 -6.951 -22.828 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.789 -5.601 -22.016 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.034 -4.872 -21.143 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.787 -6.201 -22.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.900 -4.161 -23.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.938 -5.301 -24.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.209 -4.012 -23.253 1.00 0.00 H new ATOM 229 N TYR A 22 6.060 -8.306 -17.814 1.00 0.00 N ATOM 230 CA TYR A 22 7.312 -8.937 -17.431 1.00 0.00 C ATOM 231 C TYR A 22 7.073 -10.051 -16.409 1.00 0.00 C ATOM 232 O TYR A 22 7.667 -11.124 -16.504 1.00 0.00 O ATOM 233 CB TYR A 22 8.157 -7.839 -16.783 1.00 0.00 C ATOM 234 CG TYR A 22 8.573 -6.725 -17.745 1.00 0.00 C ATOM 235 CD1 TYR A 22 8.877 -7.024 -19.057 1.00 0.00 C ATOM 236 CD2 TYR A 22 8.644 -5.420 -17.300 1.00 0.00 C ATOM 237 CE1 TYR A 22 9.269 -5.976 -19.963 1.00 0.00 C ATOM 238 CE2 TYR A 22 9.036 -4.371 -18.206 1.00 0.00 C ATOM 239 CZ TYR A 22 9.329 -4.701 -19.493 1.00 0.00 C ATOM 240 OH TYR A 22 9.699 -3.711 -20.348 1.00 0.00 O ATOM 0 H TYR A 22 5.885 -7.403 -17.373 1.00 0.00 H new ATOM 0 HA TYR A 22 7.799 -9.382 -18.299 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.595 -7.401 -15.958 1.00 0.00 H new ATOM 0 HB3 TYR A 22 9.053 -8.289 -16.355 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.821 -8.045 -19.405 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.406 -5.186 -16.273 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.510 -6.197 -20.992 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.096 -3.346 -17.871 1.00 0.00 H new ATOM 0 HH TYR A 22 8.901 -3.240 -20.667 1.00 0.00 H new ATOM 250 N TYR A 23 6.203 -9.757 -15.453 1.00 0.00 N ATOM 251 CA TYR A 23 5.879 -10.720 -14.415 1.00 0.00 C ATOM 252 C TYR A 23 5.428 -12.050 -15.021 1.00 0.00 C ATOM 253 O TYR A 23 5.683 -13.113 -14.456 1.00 0.00 O ATOM 254 CB TYR A 23 4.717 -10.113 -13.625 1.00 0.00 C ATOM 255 CG TYR A 23 4.338 -10.904 -12.371 1.00 0.00 C ATOM 256 CD1 TYR A 23 5.323 -11.381 -11.531 1.00 0.00 C ATOM 257 CD2 TYR A 23 3.009 -11.138 -12.080 1.00 0.00 C ATOM 258 CE1 TYR A 23 4.966 -12.125 -10.351 1.00 0.00 C ATOM 259 CE2 TYR A 23 2.652 -11.882 -10.900 1.00 0.00 C ATOM 260 CZ TYR A 23 3.648 -12.339 -10.094 1.00 0.00 C ATOM 261 OH TYR A 23 3.310 -13.041 -8.979 1.00 0.00 O ATOM 0 H TYR A 23 5.713 -8.866 -15.376 1.00 0.00 H new ATOM 0 HA TYR A 23 6.750 -10.919 -13.791 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.980 -9.096 -13.335 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.845 -10.044 -14.276 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.362 -11.196 -11.759 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.238 -10.763 -12.737 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.727 -12.504 -9.686 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.616 -12.073 -10.660 1.00 0.00 H new ATOM 0 HH TYR A 23 2.334 -13.115 -8.923 1.00 0.00 H new ATOM 271 N ARG A 24 4.765 -11.948 -16.164 1.00 0.00 N ATOM 272 CA ARG A 24 4.276 -13.130 -16.854 1.00 0.00 C ATOM 273 C ARG A 24 5.379 -13.729 -17.729 1.00 0.00 C ATOM 274 O ARG A 24 5.359 -14.921 -18.030 1.00 0.00 O ATOM 275 CB ARG A 24 3.066 -12.796 -17.728 1.00 0.00 C ATOM 276 CG ARG A 24 2.218 -14.042 -17.991 1.00 0.00 C ATOM 277 CD ARG A 24 2.459 -14.582 -19.402 1.00 0.00 C ATOM 278 NE ARG A 24 1.255 -14.372 -20.237 1.00 0.00 N ATOM 279 CZ ARG A 24 0.193 -15.205 -20.256 1.00 0.00 C ATOM 280 NH1 ARG A 24 0.178 -16.314 -19.485 1.00 0.00 N ATOM 281 NH2 ARG A 24 -0.830 -14.920 -21.040 1.00 0.00 N ATOM 0 H ARG A 24 4.555 -11.065 -16.630 1.00 0.00 H new ATOM 0 HA ARG A 24 3.975 -13.854 -16.097 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.458 -12.035 -17.238 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.402 -12.374 -18.675 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.459 -14.811 -17.257 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.162 -13.801 -17.865 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.315 -14.079 -19.851 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.700 -15.644 -19.358 1.00 0.00 H new ATOM 0 HE ARG A 24 1.226 -13.546 -20.835 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.973 -16.527 -18.883 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.628 -16.938 -19.505 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.810 -14.081 -21.620 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.640 -15.539 -21.066 1.00 0.00 H new ATOM 294 N GLN A 25 6.316 -12.874 -18.112 1.00 0.00 N ATOM 295 CA GLN A 25 7.425 -13.303 -18.946 1.00 0.00 C ATOM 296 C GLN A 25 8.266 -14.351 -18.213 1.00 0.00 C ATOM 297 O GLN A 25 8.794 -15.273 -18.833 1.00 0.00 O ATOM 298 CB GLN A 25 8.284 -12.111 -19.372 1.00 0.00 C ATOM 299 CG GLN A 25 7.812 -11.547 -20.713 1.00 0.00 C ATOM 300 CD GLN A 25 8.859 -11.777 -21.805 1.00 0.00 C ATOM 301 OE1 GLN A 25 8.600 -12.382 -22.832 1.00 0.00 O ATOM 302 NE2 GLN A 25 10.054 -11.264 -21.526 1.00 0.00 N ATOM 0 H GLN A 25 6.330 -11.886 -17.860 1.00 0.00 H new ATOM 0 HA GLN A 25 7.020 -13.758 -19.850 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.237 -11.333 -18.610 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.327 -12.419 -19.450 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.873 -12.020 -21.000 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.614 -10.480 -20.613 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.204 -10.769 -20.647 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.821 -11.366 -22.191 1.00 0.00 H new ATOM 311 N VAL A 26 8.364 -14.174 -16.904 1.00 0.00 N ATOM 312 CA VAL A 26 9.131 -15.093 -16.080 1.00 0.00 C ATOM 313 C VAL A 26 8.233 -16.252 -15.645 1.00 0.00 C ATOM 314 O VAL A 26 8.720 -17.345 -15.357 1.00 0.00 O ATOM 315 CB VAL A 26 9.753 -14.343 -14.900 1.00 0.00 C ATOM 316 CG1 VAL A 26 10.040 -12.885 -15.267 1.00 0.00 C ATOM 317 CG2 VAL A 26 8.860 -14.431 -13.662 1.00 0.00 C ATOM 0 H VAL A 26 7.925 -13.408 -16.393 1.00 0.00 H new ATOM 0 HA VAL A 26 9.957 -15.518 -16.650 1.00 0.00 H new ATOM 0 HB VAL A 26 10.703 -14.822 -14.662 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.482 -12.375 -14.411 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.734 -12.851 -16.107 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.109 -12.390 -15.544 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.326 -13.890 -12.838 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.888 -13.990 -13.883 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.729 -15.476 -13.381 1.00 0.00 H new ATOM 327 N GLU A 27 6.938 -15.975 -15.610 1.00 0.00 N ATOM 328 CA GLU A 27 5.968 -16.982 -15.215 1.00 0.00 C ATOM 329 C GLU A 27 6.004 -18.164 -16.185 1.00 0.00 C ATOM 330 O GLU A 27 5.713 -18.008 -17.370 1.00 0.00 O ATOM 331 CB GLU A 27 4.562 -16.385 -15.130 1.00 0.00 C ATOM 332 CG GLU A 27 3.524 -17.466 -14.823 1.00 0.00 C ATOM 333 CD GLU A 27 2.124 -17.020 -15.250 1.00 0.00 C ATOM 334 OE1 GLU A 27 1.729 -15.877 -14.980 1.00 0.00 O ATOM 335 OE2 GLU A 27 1.439 -17.909 -15.886 1.00 0.00 O ATOM 0 H GLU A 27 6.538 -15.068 -15.849 1.00 0.00 H new ATOM 0 HA GLU A 27 6.234 -17.345 -14.222 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.535 -15.619 -14.355 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.314 -15.895 -16.071 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.790 -18.388 -15.341 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.529 -17.687 -13.756 1.00 0.00 H new ATOM 343 N ALA A 28 6.363 -19.320 -15.647 1.00 0.00 N ATOM 344 CA ALA A 28 6.441 -20.528 -16.451 1.00 0.00 C ATOM 345 C ALA A 28 5.152 -20.681 -17.260 1.00 0.00 C ATOM 346 O ALA A 28 4.161 -20.003 -16.990 1.00 0.00 O ATOM 347 CB ALA A 28 6.705 -21.730 -15.542 1.00 0.00 C ATOM 0 H ALA A 28 6.603 -19.446 -14.664 1.00 0.00 H new ATOM 0 HA ALA A 28 7.268 -20.466 -17.158 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.764 -22.636 -16.145 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.646 -21.585 -15.012 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.893 -21.826 -14.821 1.00 0.00 H new ATOM 353 N GLY A 29 5.206 -21.575 -18.236 1.00 0.00 N ATOM 354 CA GLY A 29 4.055 -21.825 -19.087 1.00 0.00 C ATOM 355 C GLY A 29 3.049 -22.745 -18.391 1.00 0.00 C ATOM 356 O GLY A 29 3.431 -23.590 -17.583 1.00 0.00 O ATOM 0 H GLY A 29 6.029 -22.135 -18.457 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.574 -20.880 -19.341 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.382 -22.279 -20.023 1.00 0.00 H new ATOM 360 N ASN A 30 1.783 -22.550 -18.731 1.00 0.00 N ATOM 361 CA ASN A 30 0.720 -23.351 -18.150 1.00 0.00 C ATOM 362 C ASN A 30 1.041 -23.627 -16.679 1.00 0.00 C ATOM 363 O ASN A 30 1.019 -24.775 -16.240 1.00 0.00 O ATOM 364 CB ASN A 30 0.591 -24.697 -18.865 1.00 0.00 C ATOM 365 CG ASN A 30 -0.691 -25.420 -18.447 1.00 0.00 C ATOM 366 OD1 ASN A 30 -0.856 -25.841 -17.314 1.00 0.00 O ATOM 367 ND2 ASN A 30 -1.588 -25.538 -19.422 1.00 0.00 N ATOM 0 H ASN A 30 1.470 -21.848 -19.402 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.213 -22.797 -18.252 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.589 -24.541 -19.944 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.455 -25.320 -18.634 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.478 -26.004 -19.243 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.386 -25.163 -20.349 1.00 0.00 H new ATOM 374 N THR A 31 1.331 -22.553 -15.959 1.00 0.00 N ATOM 375 CA THR A 31 1.656 -22.665 -14.547 1.00 0.00 C ATOM 376 C THR A 31 0.659 -21.865 -13.706 1.00 0.00 C ATOM 377 O THR A 31 0.266 -22.299 -12.624 1.00 0.00 O ATOM 378 CB THR A 31 3.107 -22.217 -14.359 1.00 0.00 C ATOM 379 OG1 THR A 31 3.179 -20.973 -15.050 1.00 0.00 O ATOM 380 CG2 THR A 31 4.098 -23.115 -15.102 1.00 0.00 C ATOM 0 H THR A 31 1.348 -21.602 -16.327 1.00 0.00 H new ATOM 0 HA THR A 31 1.572 -23.695 -14.202 1.00 0.00 H new ATOM 0 HB THR A 31 3.350 -22.211 -13.296 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.164 -21.134 -16.017 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.113 -22.753 -14.935 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.012 -24.137 -14.732 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.877 -23.096 -16.169 1.00 0.00 H new ATOM 388 N GLY A 32 0.280 -20.711 -14.234 1.00 0.00 N ATOM 389 CA GLY A 32 -0.663 -19.846 -13.546 1.00 0.00 C ATOM 390 C GLY A 32 0.053 -18.948 -12.535 1.00 0.00 C ATOM 391 O GLY A 32 -0.458 -17.892 -12.166 1.00 0.00 O ATOM 0 H GLY A 32 0.609 -20.354 -15.131 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.194 -19.231 -14.272 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.411 -20.452 -13.034 1.00 0.00 H new ATOM 395 N ARG A 33 1.225 -19.401 -12.116 1.00 0.00 N ATOM 396 CA ARG A 33 2.017 -18.652 -11.155 1.00 0.00 C ATOM 397 C ARG A 33 3.485 -18.624 -11.584 1.00 0.00 C ATOM 398 O ARG A 33 3.903 -19.410 -12.433 1.00 0.00 O ATOM 399 CB ARG A 33 1.912 -19.266 -9.757 1.00 0.00 C ATOM 400 CG ARG A 33 2.236 -20.761 -9.789 1.00 0.00 C ATOM 401 CD ARG A 33 1.004 -21.596 -9.437 1.00 0.00 C ATOM 402 NE ARG A 33 1.057 -22.898 -10.138 1.00 0.00 N ATOM 403 CZ ARG A 33 1.954 -23.869 -9.865 1.00 0.00 C ATOM 404 NH1 ARG A 33 2.881 -23.693 -8.900 1.00 0.00 N ATOM 405 NH2 ARG A 33 1.910 -24.994 -10.555 1.00 0.00 N ATOM 0 H ARG A 33 1.646 -20.278 -12.424 1.00 0.00 H new ATOM 0 HA ARG A 33 1.625 -17.635 -11.123 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.597 -18.756 -9.080 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.906 -19.117 -9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.596 -21.038 -10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.040 -20.978 -9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.958 -21.755 -8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.098 -21.059 -9.718 1.00 0.00 H new ATOM 0 HE ARG A 33 0.373 -23.073 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.907 -22.821 -8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.555 -24.432 -8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.205 -25.119 -11.282 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.581 -25.738 -10.361 1.00 0.00 H new ATOM 418 N VAL A 34 4.229 -17.712 -10.976 1.00 0.00 N ATOM 419 CA VAL A 34 5.642 -17.571 -11.285 1.00 0.00 C ATOM 420 C VAL A 34 6.458 -18.431 -10.317 1.00 0.00 C ATOM 421 O VAL A 34 6.514 -18.145 -9.122 1.00 0.00 O ATOM 422 CB VAL A 34 6.040 -16.094 -11.254 1.00 0.00 C ATOM 423 CG1 VAL A 34 5.456 -15.395 -10.025 1.00 0.00 C ATOM 424 CG2 VAL A 34 7.561 -15.936 -11.303 1.00 0.00 C ATOM 0 H VAL A 34 3.880 -17.063 -10.271 1.00 0.00 H new ATOM 0 HA VAL A 34 5.851 -17.928 -12.293 1.00 0.00 H new ATOM 0 HB VAL A 34 5.624 -15.616 -12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.754 -14.346 -10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.368 -15.463 -10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.829 -15.876 -9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.818 -14.877 -11.280 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.007 -16.436 -10.443 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.944 -16.382 -12.221 1.00 0.00 H new ATOM 434 N LEU A 35 7.071 -19.468 -10.870 1.00 0.00 N ATOM 435 CA LEU A 35 7.882 -20.371 -10.072 1.00 0.00 C ATOM 436 C LEU A 35 8.980 -19.574 -9.364 1.00 0.00 C ATOM 437 O LEU A 35 9.609 -20.070 -8.431 1.00 0.00 O ATOM 438 CB LEU A 35 8.414 -21.518 -10.934 1.00 0.00 C ATOM 439 CG LEU A 35 7.838 -22.904 -10.635 1.00 0.00 C ATOM 440 CD1 LEU A 35 8.102 -23.868 -11.793 1.00 0.00 C ATOM 441 CD2 LEU A 35 8.371 -23.444 -9.306 1.00 0.00 C ATOM 0 H LEU A 35 7.022 -19.702 -11.861 1.00 0.00 H new ATOM 0 HA LEU A 35 7.277 -20.840 -9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.217 -21.282 -11.980 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.497 -21.563 -10.816 1.00 0.00 H new ATOM 0 HG LEU A 35 6.757 -22.811 -10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.683 -24.846 -11.555 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.635 -23.484 -12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.176 -23.962 -11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.946 -24.430 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.457 -23.520 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.090 -22.767 -8.499 1.00 0.00 H new ATOM 453 N ALA A 36 9.176 -18.351 -9.835 1.00 0.00 N ATOM 454 CA ALA A 36 10.186 -17.480 -9.259 1.00 0.00 C ATOM 455 C ALA A 36 11.533 -17.754 -9.933 1.00 0.00 C ATOM 456 O ALA A 36 12.225 -16.824 -10.344 1.00 0.00 O ATOM 457 CB ALA A 36 10.239 -17.690 -7.745 1.00 0.00 C ATOM 0 H ALA A 36 8.652 -17.943 -10.609 1.00 0.00 H new ATOM 0 HA ALA A 36 9.935 -16.434 -9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.997 -17.036 -7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.267 -17.455 -7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.491 -18.729 -7.530 1.00 0.00 H new ATOM 463 N LEU A 37 11.864 -19.034 -10.024 1.00 0.00 N ATOM 464 CA LEU A 37 13.115 -19.441 -10.640 1.00 0.00 C ATOM 465 C LEU A 37 13.377 -18.575 -11.873 1.00 0.00 C ATOM 466 O LEU A 37 14.492 -18.096 -12.074 1.00 0.00 O ATOM 467 CB LEU A 37 13.103 -20.943 -10.935 1.00 0.00 C ATOM 468 CG LEU A 37 13.832 -21.830 -9.924 1.00 0.00 C ATOM 469 CD1 LEU A 37 12.910 -22.215 -8.766 1.00 0.00 C ATOM 470 CD2 LEU A 37 14.435 -23.058 -10.609 1.00 0.00 C ATOM 0 H LEU A 37 11.287 -19.802 -9.681 1.00 0.00 H new ATOM 0 HA LEU A 37 13.947 -19.280 -9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.066 -21.273 -10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.548 -21.104 -11.917 1.00 0.00 H new ATOM 0 HG LEU A 37 14.658 -21.258 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.454 -22.845 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.569 -21.313 -8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.049 -22.761 -9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.948 -23.672 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.641 -23.640 -11.077 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.146 -22.737 -11.370 1.00 0.00 H new ATOM 482 N ASP A 38 12.331 -18.399 -12.667 1.00 0.00 N ATOM 483 CA ASP A 38 12.434 -17.599 -13.875 1.00 0.00 C ATOM 484 C ASP A 38 12.513 -16.118 -13.496 1.00 0.00 C ATOM 485 O ASP A 38 13.294 -15.366 -14.075 1.00 0.00 O ATOM 486 CB ASP A 38 11.209 -17.793 -14.771 1.00 0.00 C ATOM 487 CG ASP A 38 11.400 -18.783 -15.922 1.00 0.00 C ATOM 488 OD1 ASP A 38 12.350 -18.671 -16.710 1.00 0.00 O ATOM 489 OD2 ASP A 38 10.510 -19.714 -15.993 1.00 0.00 O ATOM 0 H ASP A 38 11.407 -18.797 -12.497 1.00 0.00 H new ATOM 0 HA ASP A 38 13.328 -17.915 -14.413 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.377 -18.132 -14.154 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.925 -16.826 -15.187 1.00 0.00 H new ATOM 495 N ALA A 39 11.692 -15.745 -12.525 1.00 0.00 N ATOM 496 CA ALA A 39 11.659 -14.368 -12.061 1.00 0.00 C ATOM 497 C ALA A 39 13.080 -13.913 -11.726 1.00 0.00 C ATOM 498 O ALA A 39 13.449 -12.770 -11.991 1.00 0.00 O ATOM 499 CB ALA A 39 10.712 -14.255 -10.865 1.00 0.00 C ATOM 0 H ALA A 39 11.045 -16.372 -12.047 1.00 0.00 H new ATOM 0 HA ALA A 39 11.278 -13.709 -12.841 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.687 -13.222 -10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.710 -14.561 -11.164 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.063 -14.901 -10.060 1.00 0.00 H new ATOM 505 N ALA A 40 13.840 -14.832 -11.147 1.00 0.00 N ATOM 506 CA ALA A 40 15.213 -14.539 -10.772 1.00 0.00 C ATOM 507 C ALA A 40 16.067 -14.415 -12.036 1.00 0.00 C ATOM 508 O ALA A 40 17.024 -13.643 -12.069 1.00 0.00 O ATOM 509 CB ALA A 40 15.727 -15.626 -9.826 1.00 0.00 C ATOM 0 H ALA A 40 13.531 -15.779 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 40 15.271 -13.589 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 40 16.757 -15.406 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 40 15.105 -15.654 -8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 40 15.686 -16.593 -10.327 1.00 0.00 H new ATOM 515 N ALA A 41 15.690 -15.187 -13.044 1.00 0.00 N ATOM 516 CA ALA A 41 16.409 -15.173 -14.307 1.00 0.00 C ATOM 517 C ALA A 41 16.120 -13.861 -15.039 1.00 0.00 C ATOM 518 O ALA A 41 17.021 -13.262 -15.624 1.00 0.00 O ATOM 519 CB ALA A 41 16.015 -16.400 -15.132 1.00 0.00 C ATOM 0 H ALA A 41 14.896 -15.826 -13.012 1.00 0.00 H new ATOM 0 HA ALA A 41 17.484 -15.226 -14.137 1.00 0.00 H new ATOM 0 HB1 ALA A 41 16.554 -16.390 -16.079 1.00 0.00 H new ATOM 0 HB2 ALA A 41 16.268 -17.306 -14.580 1.00 0.00 H new ATOM 0 HB3 ALA A 41 14.942 -16.380 -15.325 1.00 0.00 H new ATOM 525 N PHE A 42 14.861 -13.454 -14.982 1.00 0.00 N ATOM 526 CA PHE A 42 14.442 -12.224 -15.633 1.00 0.00 C ATOM 527 C PHE A 42 15.085 -11.005 -14.967 1.00 0.00 C ATOM 528 O PHE A 42 15.313 -9.986 -15.618 1.00 0.00 O ATOM 529 CB PHE A 42 12.923 -12.131 -15.479 1.00 0.00 C ATOM 530 CG PHE A 42 12.303 -10.905 -16.152 1.00 0.00 C ATOM 531 CD1 PHE A 42 12.049 -10.918 -17.488 1.00 0.00 C ATOM 532 CD2 PHE A 42 12.006 -9.802 -15.414 1.00 0.00 C ATOM 533 CE1 PHE A 42 11.474 -9.780 -18.113 1.00 0.00 C ATOM 534 CE2 PHE A 42 11.431 -8.663 -16.039 1.00 0.00 C ATOM 535 CZ PHE A 42 11.177 -8.676 -17.375 1.00 0.00 C ATOM 0 H PHE A 42 14.117 -13.954 -14.495 1.00 0.00 H new ATOM 0 HA PHE A 42 14.745 -12.236 -16.680 1.00 0.00 H new ATOM 0 HB2 PHE A 42 12.470 -13.030 -15.897 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.676 -12.114 -14.417 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.285 -11.794 -18.074 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.207 -9.792 -14.353 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.272 -9.791 -19.174 1.00 0.00 H new ATOM 0 HE2 PHE A 42 11.196 -7.787 -15.453 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.740 -7.810 -17.850 1.00 0.00 H new ATOM 545 N LEU A 43 15.360 -11.151 -13.679 1.00 0.00 N ATOM 546 CA LEU A 43 15.972 -10.075 -12.919 1.00 0.00 C ATOM 547 C LEU A 43 17.454 -9.976 -13.286 1.00 0.00 C ATOM 548 O LEU A 43 17.964 -8.885 -13.536 1.00 0.00 O ATOM 549 CB LEU A 43 15.721 -10.266 -11.422 1.00 0.00 C ATOM 550 CG LEU A 43 14.288 -10.019 -10.945 1.00 0.00 C ATOM 551 CD1 LEU A 43 14.085 -10.545 -9.523 1.00 0.00 C ATOM 552 CD2 LEU A 43 13.917 -8.540 -11.068 1.00 0.00 C ATOM 0 H LEU A 43 15.170 -11.998 -13.143 1.00 0.00 H new ATOM 0 HA LEU A 43 15.515 -9.119 -13.176 1.00 0.00 H new ATOM 0 HB2 LEU A 43 16.002 -11.285 -11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.385 -9.598 -10.874 1.00 0.00 H new ATOM 0 HG LEU A 43 13.611 -10.576 -11.593 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.058 -10.357 -9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.281 -11.617 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.771 -10.036 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.894 -8.392 -10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.596 -7.943 -10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.997 -8.230 -12.110 1.00 0.00 H new ATOM 564 N LYS A 44 18.104 -11.130 -13.306 1.00 0.00 N ATOM 565 CA LYS A 44 19.518 -11.188 -13.638 1.00 0.00 C ATOM 566 C LYS A 44 19.757 -10.452 -14.958 1.00 0.00 C ATOM 567 O LYS A 44 20.879 -10.039 -15.248 1.00 0.00 O ATOM 568 CB LYS A 44 20.009 -12.637 -13.644 1.00 0.00 C ATOM 569 CG LYS A 44 19.692 -13.318 -14.977 1.00 0.00 C ATOM 570 CD LYS A 44 20.967 -13.832 -15.647 1.00 0.00 C ATOM 571 CE LYS A 44 20.658 -14.989 -16.599 1.00 0.00 C ATOM 572 NZ LYS A 44 21.664 -16.064 -16.453 1.00 0.00 N ATOM 0 H LYS A 44 17.678 -12.033 -13.098 1.00 0.00 H new ATOM 0 HA LYS A 44 20.109 -10.680 -12.877 1.00 0.00 H new ATOM 0 HB2 LYS A 44 21.084 -12.661 -13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 44 19.538 -13.188 -12.829 1.00 0.00 H new ATOM 0 HG2 LYS A 44 19.004 -14.147 -14.811 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.188 -12.613 -15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 44 21.445 -13.022 -16.197 1.00 0.00 H new ATOM 0 HD3 LYS A 44 21.674 -14.162 -14.886 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.663 -15.383 -16.391 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.649 -14.629 -17.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.439 -16.841 -17.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 22.608 -15.688 -16.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 21.653 -16.419 -15.476 1.00 0.00 H new ATOM 583 N LYS A 45 18.685 -10.311 -15.723 1.00 0.00 N ATOM 584 CA LYS A 45 18.764 -9.632 -17.005 1.00 0.00 C ATOM 585 C LYS A 45 18.969 -8.134 -16.773 1.00 0.00 C ATOM 586 O LYS A 45 19.158 -7.375 -17.722 1.00 0.00 O ATOM 587 CB LYS A 45 17.539 -9.960 -17.862 1.00 0.00 C ATOM 588 CG LYS A 45 17.360 -11.472 -18.007 1.00 0.00 C ATOM 589 CD LYS A 45 17.594 -11.916 -19.452 1.00 0.00 C ATOM 590 CE LYS A 45 16.287 -12.368 -20.105 1.00 0.00 C ATOM 591 NZ LYS A 45 16.295 -12.053 -21.552 1.00 0.00 N ATOM 0 H LYS A 45 17.756 -10.656 -15.480 1.00 0.00 H new ATOM 0 HA LYS A 45 19.625 -9.988 -17.571 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.647 -9.527 -17.409 1.00 0.00 H new ATOM 0 HB3 LYS A 45 17.648 -9.507 -18.847 1.00 0.00 H new ATOM 0 HG2 LYS A 45 18.056 -11.989 -17.347 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.355 -11.754 -17.694 1.00 0.00 H new ATOM 0 HD2 LYS A 45 18.025 -11.094 -20.024 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.316 -12.732 -19.473 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.153 -13.440 -19.961 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.443 -11.874 -19.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.401 -12.366 -21.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.401 -11.027 -21.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.089 -12.544 -22.010 1.00 0.00 H new ATOM 602 N SER A 46 18.926 -7.753 -15.504 1.00 0.00 N ATOM 603 CA SER A 46 19.105 -6.359 -15.135 1.00 0.00 C ATOM 604 C SER A 46 20.545 -5.925 -15.412 1.00 0.00 C ATOM 605 O SER A 46 20.778 -4.959 -16.137 1.00 0.00 O ATOM 606 CB SER A 46 18.755 -6.130 -13.663 1.00 0.00 C ATOM 607 OG SER A 46 19.810 -6.534 -12.795 1.00 0.00 O ATOM 0 H SER A 46 18.770 -8.385 -14.719 1.00 0.00 H new ATOM 0 HA SER A 46 18.428 -5.755 -15.740 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.537 -5.074 -13.502 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.849 -6.684 -13.415 1.00 0.00 H new ATOM 0 HG SER A 46 19.730 -7.493 -12.607 1.00 0.00 H new ATOM 613 N GLY A 47 21.475 -6.660 -14.820 1.00 0.00 N ATOM 614 CA GLY A 47 22.887 -6.363 -14.994 1.00 0.00 C ATOM 615 C GLY A 47 23.684 -6.731 -13.741 1.00 0.00 C ATOM 616 O GLY A 47 24.822 -7.187 -13.836 1.00 0.00 O ATOM 0 H GLY A 47 21.278 -7.461 -14.219 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.275 -6.914 -15.851 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.015 -5.303 -15.212 1.00 0.00 H new ATOM 620 N LEU A 48 23.053 -6.521 -12.595 1.00 0.00 N ATOM 621 CA LEU A 48 23.689 -6.825 -11.324 1.00 0.00 C ATOM 622 C LEU A 48 24.019 -8.318 -11.269 1.00 0.00 C ATOM 623 O LEU A 48 23.473 -9.107 -12.038 1.00 0.00 O ATOM 624 CB LEU A 48 22.819 -6.344 -10.161 1.00 0.00 C ATOM 625 CG LEU A 48 22.951 -4.865 -9.792 1.00 0.00 C ATOM 626 CD1 LEU A 48 21.595 -4.275 -9.397 1.00 0.00 C ATOM 627 CD2 LEU A 48 24.003 -4.664 -8.699 1.00 0.00 C ATOM 0 H LEU A 48 22.108 -6.144 -12.520 1.00 0.00 H new ATOM 0 HA LEU A 48 24.632 -6.286 -11.230 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.776 -6.545 -10.406 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.061 -6.941 -9.281 1.00 0.00 H new ATOM 0 HG LEU A 48 23.294 -4.323 -10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.717 -3.223 -9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.901 -4.366 -10.233 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.200 -4.816 -8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.077 -3.604 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 48 23.713 -5.222 -7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.969 -5.023 -9.054 1.00 0.00 H new ATOM 639 N PRO A 49 24.934 -8.670 -10.326 1.00 0.00 N ATOM 640 CA PRO A 49 25.343 -10.054 -10.160 1.00 0.00 C ATOM 641 C PRO A 49 24.255 -10.867 -9.456 1.00 0.00 C ATOM 642 O PRO A 49 23.113 -10.421 -9.349 1.00 0.00 O ATOM 643 CB PRO A 49 26.640 -9.989 -9.370 1.00 0.00 C ATOM 644 CG PRO A 49 26.666 -8.613 -8.725 1.00 0.00 C ATOM 645 CD PRO A 49 25.601 -7.762 -9.397 1.00 0.00 C ATOM 0 HA PRO A 49 25.496 -10.564 -11.111 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.678 -10.775 -8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.502 -10.131 -10.022 1.00 0.00 H new ATOM 0 HG2 PRO A 49 26.474 -8.690 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 49 27.649 -8.156 -8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.900 -7.356 -8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 49 26.043 -6.914 -9.920 1.00 0.00 H new ATOM 653 N ASP A 50 24.646 -12.045 -8.994 1.00 0.00 N ATOM 654 CA ASP A 50 23.718 -12.924 -8.304 1.00 0.00 C ATOM 655 C ASP A 50 23.846 -12.709 -6.794 1.00 0.00 C ATOM 656 O ASP A 50 22.884 -12.903 -6.053 1.00 0.00 O ATOM 657 CB ASP A 50 24.028 -14.393 -8.599 1.00 0.00 C ATOM 658 CG ASP A 50 23.832 -14.815 -10.057 1.00 0.00 C ATOM 659 OD1 ASP A 50 24.802 -15.089 -10.778 1.00 0.00 O ATOM 660 OD2 ASP A 50 22.605 -14.856 -10.453 1.00 0.00 O ATOM 0 H ASP A 50 25.594 -12.412 -9.084 1.00 0.00 H new ATOM 0 HA ASP A 50 22.711 -12.691 -8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 50 25.060 -14.595 -8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 50 23.395 -15.016 -7.968 1.00 0.00 H new ATOM 666 N LEU A 51 25.041 -12.311 -6.384 1.00 0.00 N ATOM 667 CA LEU A 51 25.307 -12.067 -4.977 1.00 0.00 C ATOM 668 C LEU A 51 24.378 -10.961 -4.471 1.00 0.00 C ATOM 669 O LEU A 51 23.573 -11.186 -3.568 1.00 0.00 O ATOM 670 CB LEU A 51 26.791 -11.772 -4.755 1.00 0.00 C ATOM 671 CG LEU A 51 27.114 -10.465 -4.029 1.00 0.00 C ATOM 672 CD1 LEU A 51 28.081 -10.707 -2.868 1.00 0.00 C ATOM 673 CD2 LEU A 51 27.642 -9.411 -5.005 1.00 0.00 C ATOM 0 H LEU A 51 25.836 -12.151 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 51 25.092 -12.959 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 51 27.224 -12.596 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 51 27.287 -11.758 -5.725 1.00 0.00 H new ATOM 0 HG LEU A 51 26.190 -10.074 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 51 28.294 -9.762 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 51 27.630 -11.399 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 51 29.009 -11.133 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.864 -8.492 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.550 -9.779 -5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 51 26.888 -9.210 -5.766 1.00 0.00 H new ATOM 685 N ILE A 52 24.520 -9.791 -5.076 1.00 0.00 N ATOM 686 CA ILE A 52 23.704 -8.650 -4.698 1.00 0.00 C ATOM 687 C ILE A 52 22.225 -9.023 -4.821 1.00 0.00 C ATOM 688 O ILE A 52 21.405 -8.602 -4.006 1.00 0.00 O ATOM 689 CB ILE A 52 24.097 -7.416 -5.514 1.00 0.00 C ATOM 690 CG1 ILE A 52 25.507 -6.947 -5.153 1.00 0.00 C ATOM 691 CG2 ILE A 52 23.063 -6.300 -5.353 1.00 0.00 C ATOM 692 CD1 ILE A 52 25.637 -5.430 -5.307 1.00 0.00 C ATOM 0 H ILE A 52 25.188 -9.609 -5.825 1.00 0.00 H new ATOM 0 HA ILE A 52 23.881 -8.384 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 52 24.110 -7.693 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 52 25.738 -7.233 -4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 52 26.235 -7.445 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.366 -5.435 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 52 22.091 -6.652 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 52 22.994 -6.017 -4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 52 26.649 -5.123 -5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 52 25.430 -5.150 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 52 24.925 -4.935 -4.647 1.00 0.00 H new ATOM 704 N LEU A 53 21.929 -9.809 -5.846 1.00 0.00 N ATOM 705 CA LEU A 53 20.563 -10.243 -6.086 1.00 0.00 C ATOM 706 C LEU A 53 20.094 -11.106 -4.913 1.00 0.00 C ATOM 707 O LEU A 53 19.016 -10.882 -4.365 1.00 0.00 O ATOM 708 CB LEU A 53 20.453 -10.939 -7.444 1.00 0.00 C ATOM 709 CG LEU A 53 19.998 -10.061 -8.612 1.00 0.00 C ATOM 710 CD1 LEU A 53 20.154 -10.798 -9.944 1.00 0.00 C ATOM 711 CD2 LEU A 53 18.568 -9.562 -8.397 1.00 0.00 C ATOM 0 H LEU A 53 22.612 -10.156 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 53 19.894 -9.384 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 53 21.426 -11.364 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.756 -11.772 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 53 20.643 -9.183 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.824 -10.152 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 53 21.201 -11.063 -10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.549 -11.704 -9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.269 -8.940 -9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.893 -10.414 -8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.522 -8.975 -7.480 1.00 0.00 H new ATOM 723 N GLY A 54 20.926 -12.075 -4.562 1.00 0.00 N ATOM 724 CA GLY A 54 20.610 -12.973 -3.465 1.00 0.00 C ATOM 725 C GLY A 54 19.965 -12.214 -2.304 1.00 0.00 C ATOM 726 O GLY A 54 18.971 -12.666 -1.737 1.00 0.00 O ATOM 0 H GLY A 54 21.820 -12.258 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 54 19.935 -13.755 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.519 -13.467 -3.121 1.00 0.00 H new ATOM 730 N LYS A 55 20.556 -11.072 -1.984 1.00 0.00 N ATOM 731 CA LYS A 55 20.051 -10.245 -0.901 1.00 0.00 C ATOM 732 C LYS A 55 18.618 -9.816 -1.218 1.00 0.00 C ATOM 733 O LYS A 55 17.741 -9.882 -0.358 1.00 0.00 O ATOM 734 CB LYS A 55 20.999 -9.074 -0.634 1.00 0.00 C ATOM 735 CG LYS A 55 22.194 -9.518 0.213 1.00 0.00 C ATOM 736 CD LYS A 55 22.731 -8.358 1.053 1.00 0.00 C ATOM 737 CE LYS A 55 23.647 -7.457 0.222 1.00 0.00 C ATOM 738 NZ LYS A 55 24.929 -7.230 0.925 1.00 0.00 N ATOM 0 H LYS A 55 21.380 -10.700 -2.456 1.00 0.00 H new ATOM 0 HA LYS A 55 20.015 -10.814 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 55 21.352 -8.664 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.462 -8.276 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 55 21.896 -10.338 0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 55 22.983 -9.898 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 55 21.899 -7.773 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 55 23.279 -8.748 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.834 -7.916 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 55 23.155 -6.503 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 25.538 -6.617 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 24.746 -6.772 1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 25.405 -8.141 1.082 1.00 0.00 H new ATOM 749 N ILE A 56 18.423 -9.385 -2.456 1.00 0.00 N ATOM 750 CA ILE A 56 17.111 -8.944 -2.898 1.00 0.00 C ATOM 751 C ILE A 56 16.096 -10.065 -2.664 1.00 0.00 C ATOM 752 O ILE A 56 15.085 -9.862 -1.995 1.00 0.00 O ATOM 753 CB ILE A 56 17.169 -8.459 -4.347 1.00 0.00 C ATOM 754 CG1 ILE A 56 18.031 -7.201 -4.471 1.00 0.00 C ATOM 755 CG2 ILE A 56 15.762 -8.247 -4.911 1.00 0.00 C ATOM 756 CD1 ILE A 56 18.067 -6.700 -5.916 1.00 0.00 C ATOM 0 H ILE A 56 19.152 -9.332 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 56 16.780 -8.086 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 56 17.644 -9.235 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.636 -6.420 -3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 56 19.044 -7.416 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 56 15.832 -7.902 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.212 -9.187 -4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.239 -7.500 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 56 18.686 -5.805 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 56 18.485 -7.474 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 56 17.055 -6.463 -6.244 1.00 0.00 H new ATOM 768 N TRP A 57 16.402 -11.224 -3.230 1.00 0.00 N ATOM 769 CA TRP A 57 15.530 -12.377 -3.092 1.00 0.00 C ATOM 770 C TRP A 57 15.314 -12.631 -1.599 1.00 0.00 C ATOM 771 O TRP A 57 14.178 -12.672 -1.130 1.00 0.00 O ATOM 772 CB TRP A 57 16.103 -13.590 -3.828 1.00 0.00 C ATOM 773 CG TRP A 57 15.075 -14.686 -4.117 1.00 0.00 C ATOM 774 CD1 TRP A 57 14.635 -15.643 -3.288 1.00 0.00 C ATOM 775 CD2 TRP A 57 14.373 -14.900 -5.359 1.00 0.00 C ATOM 776 NE1 TRP A 57 13.704 -16.455 -3.903 1.00 0.00 N ATOM 777 CE2 TRP A 57 13.540 -15.989 -5.203 1.00 0.00 C ATOM 778 CE3 TRP A 57 14.440 -14.197 -6.575 1.00 0.00 C ATOM 779 CZ2 TRP A 57 12.710 -16.472 -6.221 1.00 0.00 C ATOM 780 CZ3 TRP A 57 13.604 -14.692 -7.583 1.00 0.00 C ATOM 781 CH2 TRP A 57 12.759 -15.787 -7.442 1.00 0.00 C ATOM 0 H TRP A 57 17.242 -11.388 -3.785 1.00 0.00 H new ATOM 0 HA TRP A 57 14.562 -12.186 -3.556 1.00 0.00 H new ATOM 0 HB2 TRP A 57 16.539 -13.258 -4.770 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.913 -14.013 -3.234 1.00 0.00 H new ATOM 0 HD1 TRP A 57 14.967 -15.763 -2.267 1.00 0.00 H new ATOM 0 HE1 TRP A 57 13.224 -17.251 -3.482 1.00 0.00 H new ATOM 0 HE3 TRP A 57 15.085 -13.343 -6.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 12.066 -17.327 -6.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 13.616 -14.187 -8.538 1.00 0.00 H new ATOM 0 HH2 TRP A 57 12.144 -16.108 -8.269 1.00 0.00 H new ATOM 792 N ASP A 58 16.424 -12.796 -0.893 1.00 0.00 N ATOM 793 CA ASP A 58 16.370 -13.045 0.538 1.00 0.00 C ATOM 794 C ASP A 58 15.432 -12.029 1.193 1.00 0.00 C ATOM 795 O ASP A 58 14.809 -12.322 2.213 1.00 0.00 O ATOM 796 CB ASP A 58 17.753 -12.892 1.175 1.00 0.00 C ATOM 797 CG ASP A 58 18.082 -13.919 2.260 1.00 0.00 C ATOM 798 OD1 ASP A 58 18.066 -15.135 2.014 1.00 0.00 O ATOM 799 OD2 ASP A 58 18.368 -13.420 3.415 1.00 0.00 O ATOM 0 H ASP A 58 17.365 -12.762 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 58 16.013 -14.064 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.507 -12.960 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.830 -11.894 1.606 1.00 0.00 H new ATOM 805 N LEU A 59 15.361 -10.856 0.581 1.00 0.00 N ATOM 806 CA LEU A 59 14.510 -9.796 1.093 1.00 0.00 C ATOM 807 C LEU A 59 13.112 -9.933 0.486 1.00 0.00 C ATOM 808 O LEU A 59 12.122 -9.550 1.107 1.00 0.00 O ATOM 809 CB LEU A 59 15.154 -8.429 0.852 1.00 0.00 C ATOM 810 CG LEU A 59 14.322 -7.213 1.267 1.00 0.00 C ATOM 811 CD1 LEU A 59 13.368 -6.793 0.148 1.00 0.00 C ATOM 812 CD2 LEU A 59 13.584 -7.478 2.581 1.00 0.00 C ATOM 0 H LEU A 59 15.879 -10.617 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 59 14.399 -9.884 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.102 -8.396 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.386 -8.341 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 59 15.000 -6.378 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.789 -5.927 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.942 -6.536 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.692 -7.616 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.000 -6.599 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.918 -8.332 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.307 -7.692 3.368 1.00 0.00 H new ATOM 824 N ALA A 60 13.076 -10.480 -0.720 1.00 0.00 N ATOM 825 CA ALA A 60 11.816 -10.673 -1.417 1.00 0.00 C ATOM 826 C ALA A 60 11.027 -11.793 -0.736 1.00 0.00 C ATOM 827 O ALA A 60 9.906 -11.577 -0.278 1.00 0.00 O ATOM 828 CB ALA A 60 12.089 -10.966 -2.894 1.00 0.00 C ATOM 0 H ALA A 60 13.900 -10.796 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 60 11.210 -9.768 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.144 -11.111 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.625 -10.127 -3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.693 -11.869 -2.980 1.00 0.00 H new ATOM 834 N ASP A 61 11.643 -12.965 -0.692 1.00 0.00 N ATOM 835 CA ASP A 61 11.012 -14.119 -0.074 1.00 0.00 C ATOM 836 C ASP A 61 10.272 -13.675 1.189 1.00 0.00 C ATOM 837 O ASP A 61 10.859 -13.046 2.068 1.00 0.00 O ATOM 838 CB ASP A 61 12.053 -15.165 0.330 1.00 0.00 C ATOM 839 CG ASP A 61 11.477 -16.481 0.856 1.00 0.00 C ATOM 840 OD1 ASP A 61 10.795 -17.216 0.127 1.00 0.00 O ATOM 841 OD2 ASP A 61 11.757 -16.745 2.087 1.00 0.00 O ATOM 0 H ASP A 61 12.572 -13.140 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 61 10.324 -14.556 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.683 -15.381 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.698 -14.736 1.097 1.00 0.00 H new ATOM 847 N THR A 62 8.994 -14.021 1.240 1.00 0.00 N ATOM 848 CA THR A 62 8.168 -13.666 2.381 1.00 0.00 C ATOM 849 C THR A 62 6.876 -14.486 2.380 1.00 0.00 C ATOM 850 O THR A 62 6.453 -14.986 3.421 1.00 0.00 O ATOM 851 CB THR A 62 7.929 -12.155 2.340 1.00 0.00 C ATOM 852 OG1 THR A 62 9.118 -11.600 2.895 1.00 0.00 O ATOM 853 CG2 THR A 62 6.826 -11.711 3.303 1.00 0.00 C ATOM 0 H THR A 62 8.511 -14.543 0.509 1.00 0.00 H new ATOM 0 HA THR A 62 8.667 -13.905 3.320 1.00 0.00 H new ATOM 0 HB THR A 62 7.667 -11.856 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.764 -12.317 3.067 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.696 -10.631 3.235 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.891 -12.206 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.103 -11.979 4.322 1.00 0.00 H new ATOM 861 N ASP A 63 6.286 -14.598 1.199 1.00 0.00 N ATOM 862 CA ASP A 63 5.051 -15.349 1.048 1.00 0.00 C ATOM 863 C ASP A 63 5.186 -16.694 1.766 1.00 0.00 C ATOM 864 O ASP A 63 4.245 -17.154 2.412 1.00 0.00 O ATOM 865 CB ASP A 63 4.752 -15.628 -0.426 1.00 0.00 C ATOM 866 CG ASP A 63 3.404 -16.299 -0.697 1.00 0.00 C ATOM 867 OD1 ASP A 63 2.376 -15.625 -0.858 1.00 0.00 O ATOM 868 OD2 ASP A 63 3.436 -17.588 -0.740 1.00 0.00 O ATOM 0 H ASP A 63 6.640 -14.181 0.338 1.00 0.00 H new ATOM 0 HA ASP A 63 4.242 -14.756 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.788 -14.686 -0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.543 -16.261 -0.828 1.00 0.00 H new ATOM 874 N GLY A 64 6.363 -17.286 1.629 1.00 0.00 N ATOM 875 CA GLY A 64 6.633 -18.569 2.256 1.00 0.00 C ATOM 876 C GLY A 64 6.788 -19.671 1.206 1.00 0.00 C ATOM 877 O GLY A 64 6.813 -20.854 1.542 1.00 0.00 O ATOM 0 H GLY A 64 7.141 -16.901 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.542 -18.501 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.821 -18.823 2.937 1.00 0.00 H new ATOM 881 N LYS A 65 6.889 -19.243 -0.044 1.00 0.00 N ATOM 882 CA LYS A 65 7.041 -20.178 -1.145 1.00 0.00 C ATOM 883 C LYS A 65 7.896 -19.537 -2.239 1.00 0.00 C ATOM 884 O LYS A 65 7.781 -18.340 -2.500 1.00 0.00 O ATOM 885 CB LYS A 65 5.672 -20.656 -1.635 1.00 0.00 C ATOM 886 CG LYS A 65 5.566 -22.181 -1.564 1.00 0.00 C ATOM 887 CD LYS A 65 4.159 -22.650 -1.940 1.00 0.00 C ATOM 888 CE LYS A 65 4.203 -23.624 -3.120 1.00 0.00 C ATOM 889 NZ LYS A 65 2.851 -24.154 -3.405 1.00 0.00 N ATOM 0 H LYS A 65 6.868 -18.261 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 65 7.566 -21.074 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.887 -20.205 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.513 -20.324 -2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.296 -22.632 -2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.809 -22.520 -0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.691 -23.133 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.541 -21.789 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.595 -23.118 -4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.883 -24.446 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.899 -24.813 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.491 -24.654 -2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.212 -23.368 -3.640 1.00 0.00 H new ATOM 900 N GLY A 66 8.735 -20.361 -2.850 1.00 0.00 N ATOM 901 CA GLY A 66 9.609 -19.889 -3.910 1.00 0.00 C ATOM 902 C GLY A 66 8.854 -18.974 -4.877 1.00 0.00 C ATOM 903 O GLY A 66 9.326 -17.886 -5.203 1.00 0.00 O ATOM 0 H GLY A 66 8.828 -21.353 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.452 -19.351 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.019 -20.740 -4.454 1.00 0.00 H new ATOM 907 N VAL A 67 7.695 -19.449 -5.308 1.00 0.00 N ATOM 908 CA VAL A 67 6.870 -18.688 -6.230 1.00 0.00 C ATOM 909 C VAL A 67 6.795 -17.234 -5.759 1.00 0.00 C ATOM 910 O VAL A 67 6.823 -16.964 -4.560 1.00 0.00 O ATOM 911 CB VAL A 67 5.495 -19.344 -6.367 1.00 0.00 C ATOM 912 CG1 VAL A 67 4.653 -18.636 -7.431 1.00 0.00 C ATOM 913 CG2 VAL A 67 5.628 -20.836 -6.677 1.00 0.00 C ATOM 0 H VAL A 67 7.308 -20.352 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 67 7.314 -18.685 -7.226 1.00 0.00 H new ATOM 0 HB VAL A 67 4.980 -19.245 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.681 -19.122 -7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.515 -17.592 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.163 -18.689 -8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.636 -21.278 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.172 -20.966 -7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.171 -21.328 -5.870 1.00 0.00 H new ATOM 923 N LEU A 68 6.701 -16.336 -6.729 1.00 0.00 N ATOM 924 CA LEU A 68 6.621 -14.916 -6.428 1.00 0.00 C ATOM 925 C LEU A 68 5.171 -14.451 -6.567 1.00 0.00 C ATOM 926 O LEU A 68 4.309 -15.213 -7.004 1.00 0.00 O ATOM 927 CB LEU A 68 7.606 -14.129 -7.295 1.00 0.00 C ATOM 928 CG LEU A 68 9.054 -14.621 -7.281 1.00 0.00 C ATOM 929 CD1 LEU A 68 9.982 -13.617 -7.968 1.00 0.00 C ATOM 930 CD2 LEU A 68 9.511 -14.941 -5.856 1.00 0.00 C ATOM 0 H LEU A 68 6.678 -16.564 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 68 6.919 -14.727 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.247 -14.146 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.594 -13.088 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 68 9.104 -15.548 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.005 -13.992 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.669 -13.482 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.933 -12.661 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.544 -15.289 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.441 -14.044 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.874 -15.719 -5.436 1.00 0.00 H new ATOM 942 N SER A 69 4.945 -13.201 -6.188 1.00 0.00 N ATOM 943 CA SER A 69 3.613 -12.625 -6.265 1.00 0.00 C ATOM 944 C SER A 69 3.662 -11.294 -7.017 1.00 0.00 C ATOM 945 O SER A 69 4.572 -11.057 -7.810 1.00 0.00 O ATOM 946 CB SER A 69 3.018 -12.425 -4.870 1.00 0.00 C ATOM 947 OG SER A 69 3.236 -13.554 -4.029 1.00 0.00 O ATOM 0 H SER A 69 5.662 -12.572 -5.827 1.00 0.00 H new ATOM 0 HA SER A 69 2.971 -13.319 -6.808 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.460 -11.541 -4.411 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.948 -12.238 -4.956 1.00 0.00 H new ATOM 0 HG SER A 69 2.843 -13.386 -3.147 1.00 0.00 H new ATOM 953 N LYS A 70 2.671 -10.458 -6.742 1.00 0.00 N ATOM 954 CA LYS A 70 2.589 -9.157 -7.383 1.00 0.00 C ATOM 955 C LYS A 70 3.594 -8.207 -6.729 1.00 0.00 C ATOM 956 O LYS A 70 4.732 -8.093 -7.182 1.00 0.00 O ATOM 957 CB LYS A 70 1.150 -8.639 -7.363 1.00 0.00 C ATOM 958 CG LYS A 70 0.259 -9.458 -8.299 1.00 0.00 C ATOM 959 CD LYS A 70 -0.893 -10.108 -7.531 1.00 0.00 C ATOM 960 CE LYS A 70 -2.195 -9.329 -7.731 1.00 0.00 C ATOM 961 NZ LYS A 70 -3.024 -9.382 -6.506 1.00 0.00 N ATOM 0 H LYS A 70 1.918 -10.657 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 70 2.861 -9.233 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.757 -8.686 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.133 -7.591 -7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.140 -8.814 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.853 -10.228 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.025 -11.136 -7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.649 -10.149 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.971 -8.292 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.750 -9.746 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.904 -8.849 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.253 -10.372 -6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.498 -8.963 -5.713 1.00 0.00 H new ATOM 972 N GLN A 71 3.137 -7.549 -5.673 1.00 0.00 N ATOM 973 CA GLN A 71 3.982 -6.613 -4.952 1.00 0.00 C ATOM 974 C GLN A 71 5.416 -7.142 -4.875 1.00 0.00 C ATOM 975 O GLN A 71 6.360 -6.442 -5.238 1.00 0.00 O ATOM 976 CB GLN A 71 3.424 -6.336 -3.554 1.00 0.00 C ATOM 977 CG GLN A 71 3.278 -4.833 -3.310 1.00 0.00 C ATOM 978 CD GLN A 71 4.137 -4.383 -2.126 1.00 0.00 C ATOM 979 OE1 GLN A 71 5.234 -4.867 -1.903 1.00 0.00 O ATOM 980 NE2 GLN A 71 3.578 -3.432 -1.383 1.00 0.00 N ATOM 0 H GLN A 71 2.193 -7.646 -5.300 1.00 0.00 H new ATOM 0 HA GLN A 71 3.993 -5.669 -5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.455 -6.822 -3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.085 -6.768 -2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.572 -4.285 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.233 -4.592 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.656 -3.071 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.072 -3.064 -0.570 1.00 0.00 H new ATOM 989 N GLU A 72 5.534 -8.373 -4.400 1.00 0.00 N ATOM 990 CA GLU A 72 6.836 -9.004 -4.271 1.00 0.00 C ATOM 991 C GLU A 72 7.678 -8.743 -5.522 1.00 0.00 C ATOM 992 O GLU A 72 8.598 -7.927 -5.496 1.00 0.00 O ATOM 993 CB GLU A 72 6.695 -10.504 -4.008 1.00 0.00 C ATOM 994 CG GLU A 72 6.581 -10.790 -2.510 1.00 0.00 C ATOM 995 CD GLU A 72 7.157 -12.166 -2.168 1.00 0.00 C ATOM 996 OE1 GLU A 72 8.385 -12.328 -2.111 1.00 0.00 O ATOM 997 OE2 GLU A 72 6.279 -13.087 -1.957 1.00 0.00 O ATOM 0 H GLU A 72 4.749 -8.950 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 72 7.347 -8.565 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.813 -10.886 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.557 -11.031 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.110 -10.021 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.535 -10.744 -2.206 1.00 0.00 H new ATOM 1005 N PHE A 73 7.333 -9.452 -6.587 1.00 0.00 N ATOM 1006 CA PHE A 73 8.046 -9.307 -7.845 1.00 0.00 C ATOM 1007 C PHE A 73 8.135 -7.837 -8.259 1.00 0.00 C ATOM 1008 O PHE A 73 9.108 -7.422 -8.886 1.00 0.00 O ATOM 1009 CB PHE A 73 7.249 -10.075 -8.901 1.00 0.00 C ATOM 1010 CG PHE A 73 7.672 -9.774 -10.340 1.00 0.00 C ATOM 1011 CD1 PHE A 73 8.733 -10.426 -10.888 1.00 0.00 C ATOM 1012 CD2 PHE A 73 6.987 -8.855 -11.072 1.00 0.00 C ATOM 1013 CE1 PHE A 73 9.126 -10.146 -12.224 1.00 0.00 C ATOM 1014 CE2 PHE A 73 7.380 -8.575 -12.408 1.00 0.00 C ATOM 1015 CZ PHE A 73 8.441 -9.227 -12.956 1.00 0.00 C ATOM 0 H PHE A 73 6.570 -10.128 -6.605 1.00 0.00 H new ATOM 0 HA PHE A 73 9.062 -9.690 -7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.358 -11.144 -8.717 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.191 -9.838 -8.787 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.276 -11.157 -10.307 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.144 -8.338 -10.637 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.969 -10.663 -12.659 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.837 -7.844 -12.989 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.739 -9.015 -13.972 1.00 0.00 H new ATOM 1025 N PHE A 74 7.104 -7.089 -7.892 1.00 0.00 N ATOM 1026 CA PHE A 74 7.053 -5.674 -8.218 1.00 0.00 C ATOM 1027 C PHE A 74 7.905 -4.856 -7.245 1.00 0.00 C ATOM 1028 O PHE A 74 8.000 -3.636 -7.371 1.00 0.00 O ATOM 1029 CB PHE A 74 5.593 -5.237 -8.089 1.00 0.00 C ATOM 1030 CG PHE A 74 4.845 -5.165 -9.422 1.00 0.00 C ATOM 1031 CD1 PHE A 74 4.445 -6.308 -10.040 1.00 0.00 C ATOM 1032 CD2 PHE A 74 4.580 -3.957 -9.988 1.00 0.00 C ATOM 1033 CE1 PHE A 74 3.751 -6.240 -11.277 1.00 0.00 C ATOM 1034 CE2 PHE A 74 3.886 -3.889 -11.225 1.00 0.00 C ATOM 1035 CZ PHE A 74 3.486 -5.032 -11.843 1.00 0.00 C ATOM 0 H PHE A 74 6.298 -7.436 -7.372 1.00 0.00 H new ATOM 0 HA PHE A 74 7.439 -5.510 -9.224 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.073 -5.932 -7.430 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.558 -4.258 -7.611 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.655 -7.267 -9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.897 -3.049 -9.496 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.434 -7.148 -11.769 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.676 -2.930 -11.675 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.958 -4.981 -12.784 1.00 0.00 H new ATOM 1045 N VAL A 75 8.504 -5.561 -6.296 1.00 0.00 N ATOM 1046 CA VAL A 75 9.344 -4.916 -5.302 1.00 0.00 C ATOM 1047 C VAL A 75 10.814 -5.183 -5.633 1.00 0.00 C ATOM 1048 O VAL A 75 11.602 -4.248 -5.772 1.00 0.00 O ATOM 1049 CB VAL A 75 8.953 -5.387 -3.900 1.00 0.00 C ATOM 1050 CG1 VAL A 75 10.190 -5.585 -3.022 1.00 0.00 C ATOM 1051 CG2 VAL A 75 7.969 -4.412 -3.249 1.00 0.00 C ATOM 0 H VAL A 75 8.424 -6.573 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 75 9.196 -3.836 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 75 8.455 -6.351 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.883 -5.920 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.840 -6.335 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.729 -4.642 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.707 -4.770 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.430 -3.427 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.068 -4.343 -3.858 1.00 0.00 H new ATOM 1061 N ALA A 76 11.139 -6.462 -5.750 1.00 0.00 N ATOM 1062 CA ALA A 76 12.500 -6.863 -6.062 1.00 0.00 C ATOM 1063 C ALA A 76 12.936 -6.197 -7.368 1.00 0.00 C ATOM 1064 O ALA A 76 14.114 -5.891 -7.550 1.00 0.00 O ATOM 1065 CB ALA A 76 12.580 -8.390 -6.130 1.00 0.00 C ATOM 0 H ALA A 76 10.483 -7.234 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 76 13.186 -6.536 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.601 -8.691 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.289 -8.813 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.907 -8.755 -6.906 1.00 0.00 H new ATOM 1071 N LEU A 77 11.964 -5.993 -8.245 1.00 0.00 N ATOM 1072 CA LEU A 77 12.233 -5.369 -9.529 1.00 0.00 C ATOM 1073 C LEU A 77 12.923 -4.022 -9.303 1.00 0.00 C ATOM 1074 O LEU A 77 14.117 -3.881 -9.562 1.00 0.00 O ATOM 1075 CB LEU A 77 10.950 -5.271 -10.356 1.00 0.00 C ATOM 1076 CG LEU A 77 10.966 -5.988 -11.708 1.00 0.00 C ATOM 1077 CD1 LEU A 77 9.713 -5.656 -12.520 1.00 0.00 C ATOM 1078 CD2 LEU A 77 12.250 -5.675 -12.479 1.00 0.00 C ATOM 0 H LEU A 77 10.989 -6.249 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 77 12.917 -5.983 -10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.128 -5.673 -9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.732 -4.217 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 77 10.954 -7.063 -11.525 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.750 -6.178 -13.476 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.828 -5.971 -11.968 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.667 -4.581 -12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.236 -6.197 -13.436 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.318 -4.601 -12.652 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.112 -6.004 -11.899 1.00 0.00 H new ATOM 1090 N ARG A 78 12.141 -3.067 -8.821 1.00 0.00 N ATOM 1091 CA ARG A 78 12.662 -1.736 -8.557 1.00 0.00 C ATOM 1092 C ARG A 78 13.867 -1.815 -7.617 1.00 0.00 C ATOM 1093 O ARG A 78 14.790 -1.007 -7.716 1.00 0.00 O ATOM 1094 CB ARG A 78 11.592 -0.840 -7.930 1.00 0.00 C ATOM 1095 CG ARG A 78 10.665 -0.261 -9.000 1.00 0.00 C ATOM 1096 CD ARG A 78 11.468 0.414 -10.114 1.00 0.00 C ATOM 1097 NE ARG A 78 11.640 -0.517 -11.250 1.00 0.00 N ATOM 1098 CZ ARG A 78 11.786 -0.126 -12.534 1.00 0.00 C ATOM 1099 NH1 ARG A 78 11.783 1.185 -12.856 1.00 0.00 N ATOM 1100 NH2 ARG A 78 11.933 -1.045 -13.471 1.00 0.00 N ATOM 0 H ARG A 78 11.151 -3.188 -8.606 1.00 0.00 H new ATOM 0 HA ARG A 78 12.968 -1.304 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.008 -1.414 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.069 -0.029 -7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.049 -1.055 -9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.987 0.462 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.955 1.316 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.442 0.722 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 78 11.649 -1.517 -11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.670 1.889 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.894 1.472 -13.829 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.935 -2.034 -13.220 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.044 -0.766 -14.446 1.00 0.00 H new ATOM 1113 N LEU A 79 13.820 -2.795 -6.727 1.00 0.00 N ATOM 1114 CA LEU A 79 14.896 -2.990 -5.770 1.00 0.00 C ATOM 1115 C LEU A 79 16.234 -3.010 -6.512 1.00 0.00 C ATOM 1116 O LEU A 79 17.180 -2.332 -6.112 1.00 0.00 O ATOM 1117 CB LEU A 79 14.642 -4.240 -4.925 1.00 0.00 C ATOM 1118 CG LEU A 79 15.265 -4.242 -3.528 1.00 0.00 C ATOM 1119 CD1 LEU A 79 14.927 -5.533 -2.779 1.00 0.00 C ATOM 1120 CD2 LEU A 79 16.774 -4.000 -3.599 1.00 0.00 C ATOM 0 H LEU A 79 13.053 -3.463 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 79 14.934 -2.160 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.565 -4.372 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.018 -5.106 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 79 14.833 -3.417 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 79 15.382 -5.509 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.845 -5.623 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.313 -6.388 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 79 17.191 -4.006 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 79 17.241 -4.787 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 79 16.966 -3.034 -4.065 1.00 0.00 H new ATOM 1132 N VAL A 80 16.271 -3.795 -7.579 1.00 0.00 N ATOM 1133 CA VAL A 80 17.478 -3.913 -8.380 1.00 0.00 C ATOM 1134 C VAL A 80 17.970 -2.515 -8.761 1.00 0.00 C ATOM 1135 O VAL A 80 19.165 -2.233 -8.689 1.00 0.00 O ATOM 1136 CB VAL A 80 17.215 -4.806 -9.593 1.00 0.00 C ATOM 1137 CG1 VAL A 80 18.410 -4.798 -10.549 1.00 0.00 C ATOM 1138 CG2 VAL A 80 16.870 -6.232 -9.160 1.00 0.00 C ATOM 0 H VAL A 80 15.485 -4.355 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 80 18.272 -4.392 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 80 16.355 -4.401 -10.127 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.197 -5.441 -11.403 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.591 -3.781 -10.897 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.294 -5.167 -10.029 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.688 -6.846 -10.042 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.701 -6.651 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.976 -6.217 -8.537 1.00 0.00 H new ATOM 1148 N ALA A 81 17.023 -1.678 -9.159 1.00 0.00 N ATOM 1149 CA ALA A 81 17.345 -0.316 -9.552 1.00 0.00 C ATOM 1150 C ALA A 81 18.063 0.387 -8.398 1.00 0.00 C ATOM 1151 O ALA A 81 18.720 1.407 -8.601 1.00 0.00 O ATOM 1152 CB ALA A 81 16.066 0.410 -9.972 1.00 0.00 C ATOM 0 H ALA A 81 16.033 -1.916 -9.218 1.00 0.00 H new ATOM 0 HA ALA A 81 18.018 -0.313 -10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.307 1.431 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.611 -0.112 -10.813 1.00 0.00 H new ATOM 0 HB3 ALA A 81 15.367 0.429 -9.136 1.00 0.00 H new ATOM 1158 N CYS A 82 17.912 -0.186 -7.213 1.00 0.00 N ATOM 1159 CA CYS A 82 18.537 0.373 -6.027 1.00 0.00 C ATOM 1160 C CYS A 82 20.039 0.085 -6.094 1.00 0.00 C ATOM 1161 O CYS A 82 20.842 1.000 -6.270 1.00 0.00 O ATOM 1162 CB CYS A 82 17.908 -0.174 -4.744 1.00 0.00 C ATOM 1163 SG CYS A 82 17.977 1.091 -3.424 1.00 0.00 S ATOM 0 H CYS A 82 17.366 -1.032 -7.049 1.00 0.00 H new ATOM 0 HA CYS A 82 18.375 1.451 -6.002 1.00 0.00 H new ATOM 0 HB2 CYS A 82 16.873 -0.461 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 82 18.435 -1.073 -4.425 1.00 0.00 H new ATOM 0 HG CYS A 82 18.690 0.645 -2.433 1.00 0.00 H new ATOM 1169 N ALA A 83 20.371 -1.189 -5.949 1.00 0.00 N ATOM 1170 CA ALA A 83 21.762 -1.609 -5.991 1.00 0.00 C ATOM 1171 C ALA A 83 22.413 -1.073 -7.267 1.00 0.00 C ATOM 1172 O ALA A 83 23.636 -0.956 -7.343 1.00 0.00 O ATOM 1173 CB ALA A 83 21.838 -3.134 -5.894 1.00 0.00 C ATOM 0 H ALA A 83 19.701 -1.944 -5.802 1.00 0.00 H new ATOM 0 HA ALA A 83 22.312 -1.201 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 83 22.881 -3.449 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.388 -3.462 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 83 21.299 -3.579 -6.730 1.00 0.00 H new ATOM 1179 N GLN A 84 21.569 -0.762 -8.240 1.00 0.00 N ATOM 1180 CA GLN A 84 22.047 -0.241 -9.509 1.00 0.00 C ATOM 1181 C GLN A 84 22.767 1.092 -9.298 1.00 0.00 C ATOM 1182 O GLN A 84 23.626 1.470 -10.093 1.00 0.00 O ATOM 1183 CB GLN A 84 20.898 -0.092 -10.508 1.00 0.00 C ATOM 1184 CG GLN A 84 20.520 -1.445 -11.115 1.00 0.00 C ATOM 1185 CD GLN A 84 20.851 -1.488 -12.608 1.00 0.00 C ATOM 1186 OE1 GLN A 84 21.208 -0.495 -13.220 1.00 0.00 O ATOM 1187 NE2 GLN A 84 20.713 -2.691 -13.158 1.00 0.00 N ATOM 0 H GLN A 84 20.556 -0.861 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 84 22.758 -0.953 -9.927 1.00 0.00 H new ATOM 0 HB2 GLN A 84 20.031 0.342 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.188 0.598 -11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 84 21.054 -2.242 -10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.455 -1.628 -10.969 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.410 -3.481 -12.588 1.00 0.00 H new ATOM 0 HE22 GLN A 84 20.910 -2.824 -14.150 1.00 0.00 H new ATOM 1196 N ASN A 85 22.391 1.768 -8.222 1.00 0.00 N ATOM 1197 CA ASN A 85 22.990 3.051 -7.897 1.00 0.00 C ATOM 1198 C ASN A 85 24.051 2.853 -6.812 1.00 0.00 C ATOM 1199 O ASN A 85 24.825 3.764 -6.522 1.00 0.00 O ATOM 1200 CB ASN A 85 21.942 4.028 -7.361 1.00 0.00 C ATOM 1201 CG ASN A 85 22.583 5.364 -6.980 1.00 0.00 C ATOM 1202 OD1 ASN A 85 22.891 5.629 -5.830 1.00 0.00 O ATOM 1203 ND2 ASN A 85 22.766 6.189 -8.007 1.00 0.00 N ATOM 0 H ASN A 85 21.679 1.451 -7.564 1.00 0.00 H new ATOM 0 HA ASN A 85 23.430 3.458 -8.807 1.00 0.00 H new ATOM 0 HB2 ASN A 85 21.173 4.192 -8.115 1.00 0.00 H new ATOM 0 HB3 ASN A 85 21.448 3.596 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 85 23.187 7.106 -7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 85 22.485 5.905 -8.946 1.00 0.00 H new ATOM 1210 N GLY A 86 24.053 1.657 -6.243 1.00 0.00 N ATOM 1211 CA GLY A 86 25.007 1.328 -5.197 1.00 0.00 C ATOM 1212 C GLY A 86 24.373 1.475 -3.812 1.00 0.00 C ATOM 1213 O GLY A 86 25.072 1.448 -2.800 1.00 0.00 O ATOM 0 H GLY A 86 23.410 0.904 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 86 25.362 0.306 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 86 25.877 1.981 -5.274 1.00 0.00 H new ATOM 1217 N LEU A 87 23.057 1.629 -3.812 1.00 0.00 N ATOM 1218 CA LEU A 87 22.322 1.781 -2.568 1.00 0.00 C ATOM 1219 C LEU A 87 22.163 0.412 -1.904 1.00 0.00 C ATOM 1220 O LEU A 87 22.615 -0.599 -2.440 1.00 0.00 O ATOM 1221 CB LEU A 87 20.996 2.503 -2.814 1.00 0.00 C ATOM 1222 CG LEU A 87 21.100 3.955 -3.284 1.00 0.00 C ATOM 1223 CD1 LEU A 87 19.754 4.459 -3.811 1.00 0.00 C ATOM 1224 CD2 LEU A 87 21.652 4.852 -2.175 1.00 0.00 C ATOM 0 H LEU A 87 22.481 1.652 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 87 22.877 2.411 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 87 20.432 1.941 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 87 20.417 2.481 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 87 21.806 3.995 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 87 19.856 5.494 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.438 3.842 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 87 19.008 4.401 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.716 5.879 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.989 4.811 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 87 22.645 4.506 -1.888 1.00 0.00 H new ATOM 1236 N GLU A 88 21.518 0.422 -0.746 1.00 0.00 N ATOM 1237 CA GLU A 88 21.294 -0.806 -0.003 1.00 0.00 C ATOM 1238 C GLU A 88 20.515 -1.808 -0.858 1.00 0.00 C ATOM 1239 O GLU A 88 19.961 -1.447 -1.895 1.00 0.00 O ATOM 1240 CB GLU A 88 20.565 -0.526 1.313 1.00 0.00 C ATOM 1241 CG GLU A 88 21.141 -1.373 2.449 1.00 0.00 C ATOM 1242 CD GLU A 88 20.628 -0.889 3.807 1.00 0.00 C ATOM 1243 OE1 GLU A 88 19.419 -0.955 4.073 1.00 0.00 O ATOM 1244 OE2 GLU A 88 21.536 -0.433 4.602 1.00 0.00 O ATOM 0 H GLU A 88 21.143 1.262 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 88 22.263 -1.241 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.651 0.531 1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 88 19.503 -0.740 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.867 -2.418 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.230 -1.324 2.429 1.00 0.00 H new ATOM 1252 N VAL A 89 20.499 -3.048 -0.391 1.00 0.00 N ATOM 1253 CA VAL A 89 19.798 -4.105 -1.100 1.00 0.00 C ATOM 1254 C VAL A 89 18.529 -4.476 -0.329 1.00 0.00 C ATOM 1255 O VAL A 89 17.685 -5.215 -0.833 1.00 0.00 O ATOM 1256 CB VAL A 89 20.732 -5.296 -1.321 1.00 0.00 C ATOM 1257 CG1 VAL A 89 20.129 -6.289 -2.316 1.00 0.00 C ATOM 1258 CG2 VAL A 89 22.115 -4.830 -1.781 1.00 0.00 C ATOM 0 H VAL A 89 20.960 -3.344 0.469 1.00 0.00 H new ATOM 0 HA VAL A 89 19.490 -3.763 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 89 20.851 -5.809 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 89 20.813 -7.126 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.178 -6.658 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.965 -5.792 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.760 -5.696 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 89 22.021 -4.281 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 89 22.551 -4.180 -1.022 1.00 0.00 H new ATOM 1268 N SER A 90 18.435 -3.946 0.882 1.00 0.00 N ATOM 1269 CA SER A 90 17.283 -4.211 1.727 1.00 0.00 C ATOM 1270 C SER A 90 16.244 -3.101 1.561 1.00 0.00 C ATOM 1271 O SER A 90 16.598 -1.929 1.440 1.00 0.00 O ATOM 1272 CB SER A 90 17.695 -4.337 3.196 1.00 0.00 C ATOM 1273 OG SER A 90 18.883 -5.109 3.352 1.00 0.00 O ATOM 0 H SER A 90 19.138 -3.335 1.298 1.00 0.00 H new ATOM 0 HA SER A 90 16.844 -5.159 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.851 -3.343 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.886 -4.799 3.761 1.00 0.00 H new ATOM 0 HG SER A 90 19.114 -5.165 4.303 1.00 0.00 H new ATOM 1279 N LEU A 91 14.984 -3.508 1.561 1.00 0.00 N ATOM 1280 CA LEU A 91 13.891 -2.562 1.412 1.00 0.00 C ATOM 1281 C LEU A 91 14.049 -1.441 2.441 1.00 0.00 C ATOM 1282 O LEU A 91 13.546 -0.336 2.242 1.00 0.00 O ATOM 1283 CB LEU A 91 12.544 -3.283 1.489 1.00 0.00 C ATOM 1284 CG LEU A 91 11.842 -3.538 0.153 1.00 0.00 C ATOM 1285 CD1 LEU A 91 10.705 -4.549 0.316 1.00 0.00 C ATOM 1286 CD2 LEU A 91 11.359 -2.228 -0.471 1.00 0.00 C ATOM 0 H LEU A 91 14.695 -4.481 1.662 1.00 0.00 H new ATOM 0 HA LEU A 91 13.921 -2.097 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.695 -4.241 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.877 -2.698 2.122 1.00 0.00 H new ATOM 0 HG LEU A 91 12.565 -3.975 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.223 -4.713 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.107 -5.492 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.974 -4.163 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.864 -2.437 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.657 -1.740 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.212 -1.571 -0.644 1.00 0.00 H new ATOM 1298 N SER A 92 14.749 -1.764 3.518 1.00 0.00 N ATOM 1299 CA SER A 92 14.979 -0.798 4.578 1.00 0.00 C ATOM 1300 C SER A 92 15.580 0.484 3.998 1.00 0.00 C ATOM 1301 O SER A 92 15.508 1.543 4.618 1.00 0.00 O ATOM 1302 CB SER A 92 15.899 -1.373 5.657 1.00 0.00 C ATOM 1303 OG SER A 92 15.166 -2.008 6.702 1.00 0.00 O ATOM 0 H SER A 92 15.165 -2.681 3.679 1.00 0.00 H new ATOM 0 HA SER A 92 14.020 -0.565 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.582 -2.092 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.509 -0.573 6.077 1.00 0.00 H new ATOM 0 HG SER A 92 15.789 -2.363 7.370 1.00 0.00 H new ATOM 1309 N SER A 93 16.158 0.345 2.814 1.00 0.00 N ATOM 1310 CA SER A 93 16.770 1.479 2.142 1.00 0.00 C ATOM 1311 C SER A 93 16.109 1.699 0.780 1.00 0.00 C ATOM 1312 O SER A 93 16.760 2.141 -0.166 1.00 0.00 O ATOM 1313 CB SER A 93 18.276 1.272 1.974 1.00 0.00 C ATOM 1314 OG SER A 93 19.022 2.409 2.399 1.00 0.00 O ATOM 0 H SER A 93 16.216 -0.536 2.303 1.00 0.00 H new ATOM 0 HA SER A 93 16.619 2.365 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.588 0.399 2.547 1.00 0.00 H new ATOM 0 HB3 SER A 93 18.499 1.063 0.928 1.00 0.00 H new ATOM 0 HG SER A 93 19.766 2.562 1.780 1.00 0.00 H new ATOM 1320 N LEU A 94 14.825 1.380 0.722 1.00 0.00 N ATOM 1321 CA LEU A 94 14.069 1.537 -0.509 1.00 0.00 C ATOM 1322 C LEU A 94 13.048 2.663 -0.335 1.00 0.00 C ATOM 1323 O LEU A 94 13.016 3.323 0.703 1.00 0.00 O ATOM 1324 CB LEU A 94 13.448 0.204 -0.931 1.00 0.00 C ATOM 1325 CG LEU A 94 14.311 -0.683 -1.830 1.00 0.00 C ATOM 1326 CD1 LEU A 94 14.594 0.003 -3.169 1.00 0.00 C ATOM 1327 CD2 LEU A 94 15.599 -1.099 -1.117 1.00 0.00 C ATOM 0 H LEU A 94 14.288 1.013 1.508 1.00 0.00 H new ATOM 0 HA LEU A 94 14.729 1.827 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.198 -0.359 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.511 0.410 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 94 13.753 -1.594 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 94 15.209 -0.649 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 94 13.653 0.207 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 94 15.122 0.940 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 94 16.194 -1.729 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.171 -0.210 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 94 15.351 -1.655 -0.213 1.00 0.00 H new ATOM 1339 N SER A 95 12.238 2.849 -1.367 1.00 0.00 N ATOM 1340 CA SER A 95 11.218 3.884 -1.341 1.00 0.00 C ATOM 1341 C SER A 95 11.868 5.262 -1.480 1.00 0.00 C ATOM 1342 O SER A 95 11.330 6.258 -0.998 1.00 0.00 O ATOM 1343 CB SER A 95 10.394 3.813 -0.055 1.00 0.00 C ATOM 1344 OG SER A 95 10.954 4.614 0.983 1.00 0.00 O ATOM 0 H SER A 95 12.267 2.301 -2.226 1.00 0.00 H new ATOM 0 HA SER A 95 10.543 3.721 -2.182 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.375 4.143 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.332 2.777 0.279 1.00 0.00 H new ATOM 0 HG SER A 95 11.862 4.304 1.182 1.00 0.00 H new ATOM 1350 N LEU A 96 13.016 5.276 -2.142 1.00 0.00 N ATOM 1351 CA LEU A 96 13.744 6.516 -2.350 1.00 0.00 C ATOM 1352 C LEU A 96 13.674 6.901 -3.829 1.00 0.00 C ATOM 1353 O LEU A 96 12.866 6.355 -4.579 1.00 0.00 O ATOM 1354 CB LEU A 96 15.172 6.395 -1.814 1.00 0.00 C ATOM 1355 CG LEU A 96 15.423 5.254 -0.826 1.00 0.00 C ATOM 1356 CD1 LEU A 96 16.913 4.915 -0.746 1.00 0.00 C ATOM 1357 CD2 LEU A 96 14.835 5.580 0.549 1.00 0.00 C ATOM 0 H LEU A 96 13.460 4.449 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 96 13.284 7.327 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.847 6.271 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.438 7.334 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 96 14.910 4.365 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 96 17.063 4.101 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 96 17.270 4.610 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 96 17.468 5.792 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.027 4.753 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 96 15.299 6.487 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 96 13.760 5.733 0.458 1.00 0.00 H new ATOM 1369 N ALA A 97 14.530 7.840 -4.205 1.00 0.00 N ATOM 1370 CA ALA A 97 14.576 8.305 -5.581 1.00 0.00 C ATOM 1371 C ALA A 97 15.696 7.575 -6.325 1.00 0.00 C ATOM 1372 O ALA A 97 16.638 8.203 -6.805 1.00 0.00 O ATOM 1373 CB ALA A 97 14.755 9.824 -5.601 1.00 0.00 C ATOM 0 H ALA A 97 15.198 8.292 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 97 13.640 8.081 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.790 10.173 -6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.918 10.296 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 97 15.685 10.087 -5.098 1.00 0.00 H new ATOM 1379 N VAL A 98 15.556 6.260 -6.396 1.00 0.00 N ATOM 1380 CA VAL A 98 16.545 5.438 -7.074 1.00 0.00 C ATOM 1381 C VAL A 98 16.429 5.650 -8.585 1.00 0.00 C ATOM 1382 O VAL A 98 15.366 6.016 -9.084 1.00 0.00 O ATOM 1383 CB VAL A 98 16.380 3.974 -6.661 1.00 0.00 C ATOM 1384 CG1 VAL A 98 16.397 3.829 -5.137 1.00 0.00 C ATOM 1385 CG2 VAL A 98 15.103 3.377 -7.255 1.00 0.00 C ATOM 0 H VAL A 98 14.773 5.743 -5.996 1.00 0.00 H new ATOM 0 HA VAL A 98 17.553 5.733 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 98 17.227 3.416 -7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 98 16.278 2.779 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 98 17.346 4.197 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 98 15.579 4.408 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.010 2.336 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 98 14.239 3.939 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.148 3.430 -8.343 1.00 0.00 H new ATOM 1395 N PRO A 99 17.566 5.403 -9.289 1.00 0.00 N ATOM 1396 CA PRO A 99 17.602 5.563 -10.732 1.00 0.00 C ATOM 1397 C PRO A 99 16.879 4.409 -11.430 1.00 0.00 C ATOM 1398 O PRO A 99 16.459 3.452 -10.781 1.00 0.00 O ATOM 1399 CB PRO A 99 19.079 5.637 -11.083 1.00 0.00 C ATOM 1400 CG PRO A 99 19.821 5.054 -9.892 1.00 0.00 C ATOM 1401 CD PRO A 99 18.843 4.968 -8.731 1.00 0.00 C ATOM 0 HA PRO A 99 17.081 6.459 -11.069 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.293 5.073 -11.991 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.385 6.667 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.215 4.067 -10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.673 5.681 -9.628 1.00 0.00 H new ATOM 0 HD2 PRO A 99 18.779 3.952 -8.341 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.152 5.608 -7.904 1.00 0.00 H new ATOM 1409 N PRO A 100 16.753 4.540 -12.777 1.00 0.00 N ATOM 1410 CA PRO A 100 16.089 3.519 -13.570 1.00 0.00 C ATOM 1411 C PRO A 100 16.982 2.288 -13.738 1.00 0.00 C ATOM 1412 O PRO A 100 18.204 2.408 -13.809 1.00 0.00 O ATOM 1413 CB PRO A 100 15.759 4.198 -14.889 1.00 0.00 C ATOM 1414 CG PRO A 100 16.657 5.423 -14.964 1.00 0.00 C ATOM 1415 CD PRO A 100 17.239 5.659 -13.580 1.00 0.00 C ATOM 0 HA PRO A 100 15.184 3.140 -13.095 1.00 0.00 H new ATOM 0 HB2 PRO A 100 15.941 3.528 -15.729 1.00 0.00 H new ATOM 0 HB3 PRO A 100 14.707 4.482 -14.930 1.00 0.00 H new ATOM 0 HG2 PRO A 100 17.454 5.269 -15.692 1.00 0.00 H new ATOM 0 HG3 PRO A 100 16.089 6.293 -15.293 1.00 0.00 H new ATOM 0 HD2 PRO A 100 18.328 5.683 -13.607 1.00 0.00 H new ATOM 0 HD3 PRO A 100 16.910 6.613 -13.169 1.00 0.00 H new ATOM 1423 N PRO A 101 16.319 1.102 -13.800 1.00 0.00 N ATOM 1424 CA PRO A 101 17.039 -0.150 -13.959 1.00 0.00 C ATOM 1425 C PRO A 101 17.540 -0.316 -15.395 1.00 0.00 C ATOM 1426 O PRO A 101 17.608 0.654 -16.148 1.00 0.00 O ATOM 1427 CB PRO A 101 16.050 -1.228 -13.546 1.00 0.00 C ATOM 1428 CG PRO A 101 14.676 -0.582 -13.618 1.00 0.00 C ATOM 1429 CD PRO A 101 14.873 0.922 -13.720 1.00 0.00 C ATOM 0 HA PRO A 101 17.939 -0.198 -13.346 1.00 0.00 H new ATOM 0 HB2 PRO A 101 16.112 -2.090 -14.210 1.00 0.00 H new ATOM 0 HB3 PRO A 101 16.261 -1.586 -12.538 1.00 0.00 H new ATOM 0 HG2 PRO A 101 14.124 -0.954 -14.481 1.00 0.00 H new ATOM 0 HG3 PRO A 101 14.090 -0.831 -12.733 1.00 0.00 H new ATOM 0 HD2 PRO A 101 14.374 1.328 -14.600 1.00 0.00 H new ATOM 0 HD3 PRO A 101 14.457 1.435 -12.853 1.00 0.00 H new ATOM 1437 N ARG A 102 17.879 -1.552 -15.730 1.00 0.00 N ATOM 1438 CA ARG A 102 18.372 -1.858 -17.062 1.00 0.00 C ATOM 1439 C ARG A 102 17.250 -2.446 -17.921 1.00 0.00 C ATOM 1440 O ARG A 102 17.228 -2.253 -19.136 1.00 0.00 O ATOM 1441 CB ARG A 102 19.535 -2.850 -17.005 1.00 0.00 C ATOM 1442 CG ARG A 102 20.625 -2.475 -18.011 1.00 0.00 C ATOM 1443 CD ARG A 102 21.489 -1.328 -17.481 1.00 0.00 C ATOM 1444 NE ARG A 102 22.461 -0.907 -18.515 1.00 0.00 N ATOM 1445 CZ ARG A 102 23.634 -0.295 -18.247 1.00 0.00 C ATOM 1446 NH1 ARG A 102 23.991 -0.027 -16.973 1.00 0.00 N ATOM 1447 NH2 ARG A 102 24.426 0.037 -19.249 1.00 0.00 N ATOM 0 H ARG A 102 17.822 -2.354 -15.102 1.00 0.00 H new ATOM 0 HA ARG A 102 18.725 -0.928 -17.507 1.00 0.00 H new ATOM 0 HB2 ARG A 102 19.954 -2.867 -15.999 1.00 0.00 H new ATOM 0 HB3 ARG A 102 19.171 -3.855 -17.216 1.00 0.00 H new ATOM 0 HG2 ARG A 102 21.252 -3.343 -18.214 1.00 0.00 H new ATOM 0 HG3 ARG A 102 20.168 -2.184 -18.957 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.857 -0.486 -17.200 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.017 -1.645 -16.581 1.00 0.00 H new ATOM 0 HE ARG A 102 22.230 -1.091 -19.491 1.00 0.00 H new ATOM 0 HH11 ARG A 102 23.373 -0.287 -16.205 1.00 0.00 H new ATOM 0 HH12 ARG A 102 24.879 0.436 -16.779 1.00 0.00 H new ATOM 0 HH21 ARG A 102 24.148 -0.169 -20.209 1.00 0.00 H new ATOM 0 HH22 ARG A 102 25.316 0.500 -19.064 1.00 0.00 H new ATOM 1460 N PHE A 103 16.347 -3.151 -17.256 1.00 0.00 N ATOM 1461 CA PHE A 103 15.225 -3.768 -17.944 1.00 0.00 C ATOM 1462 C PHE A 103 14.665 -2.839 -19.022 1.00 0.00 C ATOM 1463 O PHE A 103 14.932 -1.638 -19.013 1.00 0.00 O ATOM 1464 CB PHE A 103 14.143 -4.023 -16.894 1.00 0.00 C ATOM 1465 CG PHE A 103 14.667 -4.640 -15.596 1.00 0.00 C ATOM 1466 CD1 PHE A 103 15.214 -5.886 -15.608 1.00 0.00 C ATOM 1467 CD2 PHE A 103 14.587 -3.944 -14.430 1.00 0.00 C ATOM 1468 CE1 PHE A 103 15.701 -6.459 -14.403 1.00 0.00 C ATOM 1469 CE2 PHE A 103 15.074 -4.517 -13.226 1.00 0.00 C ATOM 1470 CZ PHE A 103 15.621 -5.762 -13.238 1.00 0.00 C ATOM 0 H PHE A 103 16.369 -3.309 -16.249 1.00 0.00 H new ATOM 0 HA PHE A 103 15.547 -4.690 -18.429 1.00 0.00 H new ATOM 0 HB2 PHE A 103 13.648 -3.080 -16.662 1.00 0.00 H new ATOM 0 HB3 PHE A 103 13.388 -4.684 -17.319 1.00 0.00 H new ATOM 0 HD1 PHE A 103 15.278 -6.439 -16.533 1.00 0.00 H new ATOM 0 HD2 PHE A 103 14.153 -2.955 -14.420 1.00 0.00 H new ATOM 0 HE1 PHE A 103 16.135 -7.448 -14.412 1.00 0.00 H new ATOM 0 HE2 PHE A 103 15.010 -3.964 -12.300 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.992 -6.197 -12.322 1.00 0.00 H new ATOM 1480 N HIS A 104 13.898 -3.430 -19.927 1.00 0.00 N ATOM 1481 CA HIS A 104 13.297 -2.670 -21.010 1.00 0.00 C ATOM 1482 C HIS A 104 12.280 -1.679 -20.440 1.00 0.00 C ATOM 1483 O HIS A 104 11.988 -1.703 -19.245 1.00 0.00 O ATOM 1484 CB HIS A 104 12.690 -3.605 -22.058 1.00 0.00 C ATOM 1485 CG HIS A 104 13.480 -3.682 -23.343 1.00 0.00 C ATOM 1486 ND1 HIS A 104 13.022 -4.351 -24.465 1.00 0.00 N ATOM 1487 CD2 HIS A 104 14.699 -3.167 -23.672 1.00 0.00 C ATOM 1488 CE1 HIS A 104 13.934 -4.238 -25.420 1.00 0.00 C ATOM 1489 NE2 HIS A 104 14.972 -3.504 -24.926 1.00 0.00 N ATOM 0 H HIS A 104 13.679 -4.426 -19.932 1.00 0.00 H new ATOM 0 HA HIS A 104 14.066 -2.093 -21.524 1.00 0.00 H new ATOM 0 HB2 HIS A 104 12.608 -4.606 -21.633 1.00 0.00 H new ATOM 0 HB3 HIS A 104 11.678 -3.271 -22.285 1.00 0.00 H new ATOM 0 HD2 HIS A 104 15.334 -2.584 -23.022 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.867 -4.654 -26.414 1.00 0.00 H new ATOM 0 HE2 HIS A 104 15.819 -3.255 -25.437 1.00 0.00 H new ATOM 1497 N ASP A 105 11.769 -0.832 -21.321 1.00 0.00 N ATOM 1498 CA ASP A 105 10.791 0.165 -20.920 1.00 0.00 C ATOM 1499 C ASP A 105 11.358 0.994 -19.766 1.00 0.00 C ATOM 1500 O ASP A 105 11.846 2.104 -19.976 1.00 0.00 O ATOM 1501 CB ASP A 105 9.498 -0.495 -20.437 1.00 0.00 C ATOM 1502 CG ASP A 105 8.684 0.331 -19.439 1.00 0.00 C ATOM 1503 OD1 ASP A 105 8.032 1.319 -19.808 1.00 0.00 O ATOM 1504 OD2 ASP A 105 8.738 -0.082 -18.218 1.00 0.00 O ATOM 0 H ASP A 105 12.014 -0.815 -22.311 1.00 0.00 H new ATOM 0 HA ASP A 105 10.575 0.792 -21.785 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.872 -0.710 -21.303 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.746 -1.452 -19.977 1.00 0.00 H new