USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 430 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 105 THR OG1 : rot 175:sc= -0.106 USER MOD Set 1.2: A 107 GLN : amide:sc= -2.51 K(o=-2.6,f=-7.6!) USER MOD Single : A 64 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.1!) USER MOD Single : A 70 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-5.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0835 USER MOD Single : A 72 TYR OH : rot 67:sc= -0.757! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 99 LYS NZ :NH3+ -129:sc= -2.56 (180deg=-7.04!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0802 USER MOD Single : A 104 THR OG1 : rot 127:sc= 0.151 USER MOD Single : A 114 ASN : amide:sc= -0.0872 X(o=-0.087,f=-0.43) USER MOD Single : A 118 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0578) USER MOD Single : A 120 ASN : amide:sc= -0.959 K(o=-0.96,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 64 1.962 2.316 12.740 1.00 0.00 N ATOM 2 CA ASN A 64 2.348 1.928 11.387 1.00 0.00 C ATOM 3 C ASN A 64 1.483 2.652 10.373 1.00 0.00 C ATOM 4 O ASN A 64 1.224 2.137 9.285 1.00 0.00 O ATOM 5 CB ASN A 64 2.190 0.419 11.180 1.00 0.00 C ATOM 6 CG ASN A 64 3.415 -0.367 11.607 1.00 0.00 C ATOM 7 OD1 ASN A 64 4.515 0.177 11.700 1.00 0.00 O ATOM 8 ND2 ASN A 64 3.228 -1.657 11.862 1.00 0.00 N ATOM 0 HA ASN A 64 3.395 2.198 11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.325 0.069 11.744 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.986 0.221 10.128 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.015 -2.240 12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.298 -2.065 11.772 1.00 0.00 H new ATOM 15 N LEU A 65 1.016 3.838 10.737 1.00 0.00 N ATOM 16 CA LEU A 65 0.160 4.595 9.850 1.00 0.00 C ATOM 17 C LEU A 65 0.955 5.394 8.839 1.00 0.00 C ATOM 18 O LEU A 65 2.015 5.947 9.134 1.00 0.00 O ATOM 19 CB LEU A 65 -0.764 5.523 10.627 1.00 0.00 C ATOM 20 CG LEU A 65 -1.491 6.551 9.778 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.325 5.853 8.720 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.356 7.455 10.644 1.00 0.00 C ATOM 0 H LEU A 65 1.215 4.288 11.630 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.445 3.867 9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.503 4.920 11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.179 6.045 11.384 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.752 7.179 9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.843 6.597 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.676 5.255 8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.056 5.205 9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.867 8.183 10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.094 6.853 11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.728 7.977 11.365 1.00 0.00 H new ATOM 34 N VAL A 66 0.409 5.434 7.644 1.00 0.00 N ATOM 35 CA VAL A 66 1.012 6.144 6.533 1.00 0.00 C ATOM 36 C VAL A 66 0.046 7.143 5.911 1.00 0.00 C ATOM 37 O VAL A 66 -1.083 7.309 6.368 1.00 0.00 O ATOM 38 CB VAL A 66 1.452 5.167 5.444 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.771 4.511 5.813 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.378 4.119 5.188 1.00 0.00 C ATOM 0 H VAL A 66 -0.471 4.973 7.412 1.00 0.00 H new ATOM 0 HA VAL A 66 1.873 6.678 6.934 1.00 0.00 H new ATOM 0 HB VAL A 66 1.598 5.730 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.066 3.819 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.538 5.277 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.657 3.966 6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.715 3.435 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.189 3.560 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.541 4.610 4.867 1.00 0.00 H new ATOM 50 N ILE A 67 0.500 7.794 4.852 1.00 0.00 N ATOM 51 CA ILE A 67 -0.314 8.764 4.143 1.00 0.00 C ATOM 52 C ILE A 67 -0.028 8.713 2.648 1.00 0.00 C ATOM 53 O ILE A 67 1.119 8.803 2.215 1.00 0.00 O ATOM 54 CB ILE A 67 -0.118 10.196 4.702 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.369 10.587 5.477 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.161 11.202 3.592 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.431 12.040 5.893 1.00 0.00 C ATOM 0 H ILE A 67 1.434 7.666 4.464 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.359 8.499 4.301 1.00 0.00 H new ATOM 0 HB ILE A 67 0.750 10.204 5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.243 10.361 4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.435 9.965 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.292 12.194 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.068 10.915 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.678 11.218 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.357 12.223 6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.580 12.272 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.401 12.674 5.007 1.00 0.00 H new ATOM 69 N ALA A 68 -1.088 8.549 1.871 1.00 0.00 N ATOM 70 CA ALA A 68 -0.971 8.459 0.420 1.00 0.00 C ATOM 71 C ALA A 68 -0.420 9.740 -0.194 1.00 0.00 C ATOM 72 O ALA A 68 -0.608 10.834 0.340 1.00 0.00 O ATOM 73 CB ALA A 68 -2.318 8.114 -0.198 1.00 0.00 C ATOM 0 H ALA A 68 -2.043 8.475 2.221 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.259 7.663 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.216 8.050 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.662 7.156 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.043 8.889 0.053 1.00 0.00 H new ATOM 79 N LEU A 69 0.254 9.586 -1.328 1.00 0.00 N ATOM 80 CA LEU A 69 0.835 10.715 -2.046 1.00 0.00 C ATOM 81 C LEU A 69 0.252 10.819 -3.454 1.00 0.00 C ATOM 82 O LEU A 69 0.788 11.526 -4.307 1.00 0.00 O ATOM 83 CB LEU A 69 2.353 10.552 -2.132 1.00 0.00 C ATOM 84 CG LEU A 69 3.093 10.695 -0.800 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.590 10.461 -0.976 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.842 12.073 -0.206 1.00 0.00 C ATOM 0 H LEU A 69 0.413 8.682 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 69 0.596 11.628 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.575 9.571 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.744 11.292 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 69 2.710 9.938 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.091 10.569 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.758 9.456 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.992 11.191 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.373 12.163 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.199 12.837 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.774 12.207 -0.037 1.00 0.00 H new ATOM 98 N HIS A 70 -0.840 10.097 -3.696 1.00 0.00 N ATOM 99 CA HIS A 70 -1.484 10.094 -5.004 1.00 0.00 C ATOM 100 C HIS A 70 -2.848 9.414 -4.933 1.00 0.00 C ATOM 101 O HIS A 70 -3.014 8.409 -4.241 1.00 0.00 O ATOM 102 CB HIS A 70 -0.603 9.381 -6.047 1.00 0.00 C ATOM 103 CG HIS A 70 0.582 8.655 -5.472 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.792 8.558 -6.126 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.744 7.999 -4.296 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.643 7.877 -5.380 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.033 7.527 -4.264 1.00 0.00 N ATOM 0 H HIS A 70 -1.297 9.506 -3.001 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.621 11.131 -5.309 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.218 8.668 -6.597 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.247 10.117 -6.768 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.998 8.951 -7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.003 7.871 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.665 7.646 -5.640 1.00 0.00 H new ATOM 116 N SER A 71 -3.821 9.959 -5.659 1.00 0.00 N ATOM 117 CA SER A 71 -5.165 9.389 -5.678 1.00 0.00 C ATOM 118 C SER A 71 -5.122 7.943 -6.155 1.00 0.00 C ATOM 119 O SER A 71 -4.603 7.652 -7.232 1.00 0.00 O ATOM 120 CB SER A 71 -6.082 10.208 -6.586 1.00 0.00 C ATOM 121 OG SER A 71 -5.618 11.541 -6.714 1.00 0.00 O ATOM 0 H SER A 71 -3.705 10.790 -6.239 1.00 0.00 H new ATOM 0 HA SER A 71 -5.561 9.415 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.134 9.742 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.094 10.210 -6.180 1.00 0.00 H new ATOM 0 HG SER A 71 -6.221 12.042 -7.301 1.00 0.00 H new ATOM 127 N TYR A 72 -5.655 7.038 -5.343 1.00 0.00 N ATOM 128 CA TYR A 72 -5.653 5.618 -5.691 1.00 0.00 C ATOM 129 C TYR A 72 -7.015 5.128 -6.168 1.00 0.00 C ATOM 130 O TYR A 72 -8.058 5.576 -5.694 1.00 0.00 O ATOM 131 CB TYR A 72 -5.213 4.765 -4.500 1.00 0.00 C ATOM 132 CG TYR A 72 -4.957 3.320 -4.867 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.147 2.987 -5.946 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.533 2.289 -4.139 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.921 1.667 -6.285 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.313 0.968 -4.473 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.507 0.663 -5.547 1.00 0.00 C ATOM 138 OH TYR A 72 -4.290 -0.651 -5.885 1.00 0.00 O ATOM 0 H TYR A 72 -6.091 7.256 -4.447 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.944 5.511 -6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.306 5.191 -4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.981 4.807 -3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.687 3.772 -6.528 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.165 2.524 -3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.288 1.424 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.770 0.178 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.350 -0.879 -5.725 1.00 0.00 H new ATOM 148 N GLU A 73 -6.980 4.181 -7.102 1.00 0.00 N ATOM 149 CA GLU A 73 -8.179 3.584 -7.653 1.00 0.00 C ATOM 150 C GLU A 73 -8.008 2.068 -7.758 1.00 0.00 C ATOM 151 O GLU A 73 -7.462 1.558 -8.737 1.00 0.00 O ATOM 152 CB GLU A 73 -8.473 4.175 -9.015 1.00 0.00 C ATOM 153 CG GLU A 73 -9.778 4.943 -9.070 1.00 0.00 C ATOM 154 CD GLU A 73 -9.899 5.803 -10.312 1.00 0.00 C ATOM 155 OE1 GLU A 73 -10.258 5.260 -11.378 1.00 0.00 O ATOM 156 OE2 GLU A 73 -9.635 7.020 -10.219 1.00 0.00 O ATOM 0 H GLU A 73 -6.115 3.810 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.018 3.796 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.657 4.840 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.501 3.373 -9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.610 4.240 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.860 5.575 -8.186 1.00 0.00 H new ATOM 163 N PRO A 74 -8.466 1.337 -6.734 1.00 0.00 N ATOM 164 CA PRO A 74 -8.379 -0.117 -6.656 1.00 0.00 C ATOM 165 C PRO A 74 -8.577 -0.806 -8.002 1.00 0.00 C ATOM 166 O PRO A 74 -9.595 -0.616 -8.669 1.00 0.00 O ATOM 167 CB PRO A 74 -9.509 -0.490 -5.681 1.00 0.00 C ATOM 168 CG PRO A 74 -10.100 0.805 -5.206 1.00 0.00 C ATOM 169 CD PRO A 74 -9.111 1.879 -5.551 1.00 0.00 C ATOM 0 HA PRO A 74 -7.390 -0.441 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.263 -1.103 -6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.124 -1.072 -4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.060 0.993 -5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.282 0.777 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.600 2.832 -5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.400 2.052 -4.743 1.00 0.00 H new ATOM 177 N SER A 75 -7.594 -1.613 -8.389 1.00 0.00 N ATOM 178 CA SER A 75 -7.646 -2.343 -9.650 1.00 0.00 C ATOM 179 C SER A 75 -7.522 -3.846 -9.412 1.00 0.00 C ATOM 180 O SER A 75 -8.197 -4.644 -10.062 1.00 0.00 O ATOM 181 CB SER A 75 -6.531 -1.870 -10.584 1.00 0.00 C ATOM 182 OG SER A 75 -6.989 -0.839 -11.444 1.00 0.00 O ATOM 0 H SER A 75 -6.748 -1.778 -7.844 1.00 0.00 H new ATOM 0 HA SER A 75 -8.610 -2.144 -10.118 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.688 -1.509 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.169 -2.709 -11.178 1.00 0.00 H new ATOM 0 HG SER A 75 -6.257 -0.553 -12.030 1.00 0.00 H new ATOM 188 N HIS A 76 -6.658 -4.225 -8.473 1.00 0.00 N ATOM 189 CA HIS A 76 -6.450 -5.631 -8.148 1.00 0.00 C ATOM 190 C HIS A 76 -7.559 -6.145 -7.234 1.00 0.00 C ATOM 191 O HIS A 76 -8.412 -5.378 -6.787 1.00 0.00 O ATOM 192 CB HIS A 76 -5.086 -5.830 -7.480 1.00 0.00 C ATOM 193 CG HIS A 76 -4.006 -6.235 -8.434 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.123 -5.339 -8.998 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.668 -7.452 -8.924 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.290 -5.985 -9.794 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.599 -7.267 -9.766 1.00 0.00 N ATOM 0 H HIS A 76 -6.092 -3.577 -7.925 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.474 -6.200 -9.077 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.794 -4.903 -6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.178 -6.590 -6.704 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.149 -8.392 -8.695 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.492 -5.540 -10.370 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.121 -8.003 -10.286 1.00 0.00 H new ATOM 206 N ASP A 77 -7.541 -7.445 -6.962 1.00 0.00 N ATOM 207 CA ASP A 77 -8.546 -8.061 -6.102 1.00 0.00 C ATOM 208 C ASP A 77 -8.222 -7.822 -4.630 1.00 0.00 C ATOM 209 O ASP A 77 -7.059 -7.850 -4.229 1.00 0.00 O ATOM 210 CB ASP A 77 -8.636 -9.562 -6.379 1.00 0.00 C ATOM 211 CG ASP A 77 -10.045 -10.097 -6.217 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.595 -9.992 -5.100 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.600 -10.620 -7.206 1.00 0.00 O ATOM 0 H ASP A 77 -6.842 -8.093 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.509 -7.600 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.288 -9.763 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.968 -10.094 -5.702 1.00 0.00 H new ATOM 218 N GLY A 78 -9.258 -7.590 -3.829 1.00 0.00 N ATOM 219 CA GLY A 78 -9.058 -7.351 -2.412 1.00 0.00 C ATOM 220 C GLY A 78 -8.192 -6.138 -2.147 1.00 0.00 C ATOM 221 O GLY A 78 -7.346 -6.157 -1.253 1.00 0.00 O ATOM 0 H GLY A 78 -10.230 -7.563 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.026 -7.215 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.597 -8.229 -1.960 1.00 0.00 H new ATOM 225 N ASP A 79 -8.401 -5.080 -2.924 1.00 0.00 N ATOM 226 CA ASP A 79 -7.628 -3.856 -2.766 1.00 0.00 C ATOM 227 C ASP A 79 -8.453 -2.767 -2.094 1.00 0.00 C ATOM 228 O ASP A 79 -9.681 -2.758 -2.174 1.00 0.00 O ATOM 229 CB ASP A 79 -7.123 -3.363 -4.122 1.00 0.00 C ATOM 230 CG ASP A 79 -6.122 -4.315 -4.742 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.428 -5.522 -4.837 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.030 -3.855 -5.130 1.00 0.00 O ATOM 0 H ASP A 79 -9.098 -5.047 -3.668 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.774 -4.083 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.968 -3.237 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.662 -2.383 -4.001 1.00 0.00 H new ATOM 237 N LEU A 80 -7.761 -1.844 -1.439 1.00 0.00 N ATOM 238 CA LEU A 80 -8.408 -0.735 -0.752 1.00 0.00 C ATOM 239 C LEU A 80 -8.111 0.572 -1.481 1.00 0.00 C ATOM 240 O LEU A 80 -6.961 0.861 -1.811 1.00 0.00 O ATOM 241 CB LEU A 80 -7.926 -0.666 0.705 1.00 0.00 C ATOM 242 CG LEU A 80 -7.977 0.717 1.360 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.417 1.146 1.604 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.195 0.715 2.664 1.00 0.00 C ATOM 0 H LEU A 80 -6.743 -1.843 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.486 -0.893 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.530 -1.351 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.899 -1.028 0.745 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.518 1.435 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.429 2.131 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.950 1.187 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.904 0.427 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.241 1.705 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.627 -0.017 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.155 0.455 2.464 1.00 0.00 H new ATOM 256 N GLY A 81 -9.150 1.358 -1.727 1.00 0.00 N ATOM 257 CA GLY A 81 -8.968 2.622 -2.412 1.00 0.00 C ATOM 258 C GLY A 81 -8.861 3.786 -1.453 1.00 0.00 C ATOM 259 O GLY A 81 -9.540 3.822 -0.427 1.00 0.00 O ATOM 0 H GLY A 81 -10.112 1.144 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.067 2.574 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.805 2.789 -3.090 1.00 0.00 H new ATOM 263 N PHE A 82 -8.002 4.735 -1.789 1.00 0.00 N ATOM 264 CA PHE A 82 -7.796 5.909 -0.954 1.00 0.00 C ATOM 265 C PHE A 82 -7.517 7.133 -1.805 1.00 0.00 C ATOM 266 O PHE A 82 -7.415 7.046 -3.028 1.00 0.00 O ATOM 267 CB PHE A 82 -6.638 5.683 0.019 1.00 0.00 C ATOM 268 CG PHE A 82 -5.492 4.895 -0.561 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.644 3.558 -0.886 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.260 5.495 -0.776 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.594 2.835 -1.416 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.204 4.773 -1.307 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.373 3.442 -1.627 1.00 0.00 C ATOM 0 H PHE A 82 -7.434 4.716 -2.636 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.710 6.077 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.266 6.651 0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.014 5.162 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.596 3.074 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.123 6.537 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.729 1.793 -1.666 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.250 5.251 -1.470 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.552 2.876 -2.042 1.00 0.00 H new ATOM 283 N GLU A 83 -7.396 8.276 -1.149 1.00 0.00 N ATOM 284 CA GLU A 83 -7.130 9.523 -1.843 1.00 0.00 C ATOM 285 C GLU A 83 -5.710 10.003 -1.569 1.00 0.00 C ATOM 286 O GLU A 83 -5.001 9.435 -0.739 1.00 0.00 O ATOM 287 CB GLU A 83 -8.136 10.580 -1.396 1.00 0.00 C ATOM 288 CG GLU A 83 -9.199 10.881 -2.436 1.00 0.00 C ATOM 289 CD GLU A 83 -9.421 12.368 -2.635 1.00 0.00 C ATOM 290 OE1 GLU A 83 -9.655 13.072 -1.629 1.00 0.00 O ATOM 291 OE2 GLU A 83 -9.361 12.828 -3.794 1.00 0.00 O ATOM 0 H GLU A 83 -7.478 8.365 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.231 9.355 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.621 10.244 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.602 11.500 -1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.910 10.431 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.137 10.415 -2.135 1.00 0.00 H new ATOM 298 N LYS A 84 -5.302 11.059 -2.258 1.00 0.00 N ATOM 299 CA LYS A 84 -3.975 11.617 -2.060 1.00 0.00 C ATOM 300 C LYS A 84 -3.927 12.316 -0.706 1.00 0.00 C ATOM 301 O LYS A 84 -4.799 13.122 -0.381 1.00 0.00 O ATOM 302 CB LYS A 84 -3.623 12.575 -3.201 1.00 0.00 C ATOM 303 CG LYS A 84 -2.517 13.570 -2.867 1.00 0.00 C ATOM 304 CD LYS A 84 -2.627 14.826 -3.711 1.00 0.00 C ATOM 305 CE LYS A 84 -1.831 14.706 -4.999 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.097 15.962 -5.319 1.00 0.00 N ATOM 0 H LYS A 84 -5.868 11.543 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.232 10.819 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.320 11.991 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.519 13.127 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.570 13.834 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.545 13.104 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.674 15.016 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.268 15.682 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.121 13.883 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.504 14.460 -5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.567 15.838 -6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.776 16.743 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.435 16.184 -4.548 1.00 0.00 H new ATOM 320 N GLY A 85 -2.927 11.972 0.094 1.00 0.00 N ATOM 321 CA GLY A 85 -2.812 12.543 1.423 1.00 0.00 C ATOM 322 C GLY A 85 -3.628 11.762 2.433 1.00 0.00 C ATOM 323 O GLY A 85 -3.450 11.916 3.641 1.00 0.00 O ATOM 0 H GLY A 85 -2.193 11.308 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.765 12.552 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.148 13.580 1.405 1.00 0.00 H new ATOM 327 N GLU A 86 -4.517 10.901 1.932 1.00 0.00 N ATOM 328 CA GLU A 86 -5.349 10.071 2.787 1.00 0.00 C ATOM 329 C GLU A 86 -4.477 9.273 3.735 1.00 0.00 C ATOM 330 O GLU A 86 -3.268 9.170 3.538 1.00 0.00 O ATOM 331 CB GLU A 86 -6.185 9.115 1.929 1.00 0.00 C ATOM 332 CG GLU A 86 -7.606 8.854 2.416 1.00 0.00 C ATOM 333 CD GLU A 86 -8.012 9.674 3.628 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.697 9.256 4.762 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.646 10.734 3.442 1.00 0.00 O ATOM 0 H GLU A 86 -4.675 10.765 0.934 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.015 10.712 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.236 9.516 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.662 8.161 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.300 9.062 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.706 7.796 2.658 1.00 0.00 H new ATOM 342 N GLN A 87 -5.090 8.701 4.755 1.00 0.00 N ATOM 343 CA GLN A 87 -4.348 7.910 5.722 1.00 0.00 C ATOM 344 C GLN A 87 -4.911 6.507 5.827 1.00 0.00 C ATOM 345 O GLN A 87 -6.114 6.283 5.688 1.00 0.00 O ATOM 346 CB GLN A 87 -4.350 8.580 7.092 1.00 0.00 C ATOM 347 CG GLN A 87 -4.112 10.077 7.030 1.00 0.00 C ATOM 348 CD GLN A 87 -4.973 10.849 8.009 1.00 0.00 C ATOM 349 OE1 GLN A 87 -6.069 11.298 7.672 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.481 11.008 9.233 1.00 0.00 N ATOM 0 H GLN A 87 -6.092 8.768 4.936 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.319 7.843 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.307 8.391 7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.580 8.122 7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.062 10.282 7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.313 10.431 6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.568 10.619 9.470 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.016 11.519 9.935 1.00 0.00 H new ATOM 359 N LEU A 88 -4.017 5.570 6.073 1.00 0.00 N ATOM 360 CA LEU A 88 -4.377 4.166 6.206 1.00 0.00 C ATOM 361 C LEU A 88 -3.478 3.489 7.213 1.00 0.00 C ATOM 362 O LEU A 88 -2.253 3.558 7.115 1.00 0.00 O ATOM 363 CB LEU A 88 -4.255 3.427 4.874 1.00 0.00 C ATOM 364 CG LEU A 88 -4.473 4.268 3.620 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.402 3.958 2.589 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.859 4.009 3.057 1.00 0.00 C ATOM 0 H LEU A 88 -3.021 5.757 6.187 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.414 4.129 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.263 2.979 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.975 2.608 4.868 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.399 5.324 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.568 4.564 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.420 4.185 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.448 2.902 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.007 4.613 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.957 2.954 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.610 4.274 3.802 1.00 0.00 H new ATOM 378 N ARG A 89 -4.087 2.814 8.163 1.00 0.00 N ATOM 379 CA ARG A 89 -3.343 2.106 9.168 1.00 0.00 C ATOM 380 C ARG A 89 -2.866 0.781 8.589 1.00 0.00 C ATOM 381 O ARG A 89 -3.642 -0.159 8.424 1.00 0.00 O ATOM 382 CB ARG A 89 -4.207 1.894 10.399 1.00 0.00 C ATOM 383 CG ARG A 89 -3.617 0.901 11.362 1.00 0.00 C ATOM 384 CD ARG A 89 -4.421 0.831 12.642 1.00 0.00 C ATOM 385 NE ARG A 89 -3.643 0.278 13.745 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.179 -0.309 14.814 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.497 -0.417 14.932 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.395 -0.788 15.769 1.00 0.00 N ATOM 0 H ARG A 89 -5.100 2.744 8.256 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.473 2.688 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.346 2.848 10.908 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.194 1.551 10.090 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.584 -0.084 10.897 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.589 1.180 11.591 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.768 1.830 12.908 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.308 0.218 12.480 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.626 0.345 13.695 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.106 -0.049 14.201 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.900 -0.868 15.753 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.382 -0.707 15.685 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.805 -1.238 16.588 1.00 0.00 H new ATOM 402 N ILE A 90 -1.588 0.737 8.255 1.00 0.00 N ATOM 403 CA ILE A 90 -0.989 -0.444 7.655 1.00 0.00 C ATOM 404 C ILE A 90 -1.107 -1.665 8.549 1.00 0.00 C ATOM 405 O ILE A 90 -0.467 -1.760 9.596 1.00 0.00 O ATOM 406 CB ILE A 90 0.495 -0.205 7.300 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.648 1.090 6.505 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.054 -1.371 6.505 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.016 1.054 5.145 1.00 0.00 C ATOM 0 H ILE A 90 -0.940 1.513 8.390 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.548 -0.637 6.739 1.00 0.00 H new ATOM 0 HB ILE A 90 1.057 -0.119 8.230 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.226 1.912 7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.709 1.303 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.100 -1.180 6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.977 -2.284 7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.487 -1.487 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.136 2.008 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.422 0.254 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.084 0.873 5.266 1.00 0.00 H new ATOM 421 N LEU A 91 -1.920 -2.608 8.098 1.00 0.00 N ATOM 422 CA LEU A 91 -2.133 -3.854 8.809 1.00 0.00 C ATOM 423 C LEU A 91 -0.970 -4.782 8.526 1.00 0.00 C ATOM 424 O LEU A 91 -0.371 -5.359 9.434 1.00 0.00 O ATOM 425 CB LEU A 91 -3.441 -4.484 8.338 1.00 0.00 C ATOM 426 CG LEU A 91 -4.614 -3.503 8.259 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.871 -4.180 7.742 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.865 -2.862 9.617 1.00 0.00 C ATOM 0 H LEU A 91 -2.449 -2.529 7.230 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.196 -3.673 9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.285 -4.927 7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.705 -5.296 9.015 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.347 -2.720 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.683 -3.455 7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.686 -4.577 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.147 -4.995 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.702 -2.168 9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.100 -3.637 10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.973 -2.322 9.935 1.00 0.00 H new ATOM 440 N GLU A 92 -0.643 -4.888 7.248 1.00 0.00 N ATOM 441 CA GLU A 92 0.468 -5.703 6.803 1.00 0.00 C ATOM 442 C GLU A 92 1.222 -4.987 5.697 1.00 0.00 C ATOM 443 O GLU A 92 0.620 -4.387 4.810 1.00 0.00 O ATOM 444 CB GLU A 92 -0.011 -7.072 6.332 1.00 0.00 C ATOM 445 CG GLU A 92 0.570 -8.202 7.155 1.00 0.00 C ATOM 446 CD GLU A 92 -0.485 -8.973 7.925 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.537 -9.291 7.333 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.258 -9.258 9.120 1.00 0.00 O ATOM 0 H GLU A 92 -1.140 -4.412 6.495 1.00 0.00 H new ATOM 0 HA GLU A 92 1.142 -5.861 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.099 -7.111 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.263 -7.210 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.105 -8.886 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.300 -7.797 7.855 1.00 0.00 H new ATOM 455 N GLN A 93 2.542 -5.028 5.767 1.00 0.00 N ATOM 456 CA GLN A 93 3.371 -4.355 4.781 1.00 0.00 C ATOM 457 C GLN A 93 4.355 -5.316 4.137 1.00 0.00 C ATOM 458 O GLN A 93 5.485 -4.948 3.814 1.00 0.00 O ATOM 459 CB GLN A 93 4.107 -3.192 5.431 1.00 0.00 C ATOM 460 CG GLN A 93 4.445 -3.459 6.867 1.00 0.00 C ATOM 461 CD GLN A 93 4.968 -2.236 7.596 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.261 -1.241 7.747 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.213 -2.306 8.050 1.00 0.00 N ATOM 0 H GLN A 93 3.062 -5.519 6.494 1.00 0.00 H new ATOM 0 HA GLN A 93 2.722 -3.972 3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.024 -2.990 4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.492 -2.295 5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.557 -3.827 7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.193 -4.251 6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.763 -3.152 7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.620 -1.514 8.547 1.00 0.00 H new ATOM 472 N SER A 94 3.910 -6.548 3.941 1.00 0.00 N ATOM 473 CA SER A 94 4.737 -7.567 3.319 1.00 0.00 C ATOM 474 C SER A 94 4.421 -7.655 1.832 1.00 0.00 C ATOM 475 O SER A 94 3.275 -7.881 1.443 1.00 0.00 O ATOM 476 CB SER A 94 4.510 -8.924 3.988 1.00 0.00 C ATOM 477 OG SER A 94 3.434 -8.869 4.909 1.00 0.00 O ATOM 0 H SER A 94 2.977 -6.865 4.205 1.00 0.00 H new ATOM 0 HA SER A 94 5.784 -7.292 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.303 -9.677 3.228 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.418 -9.234 4.504 1.00 0.00 H new ATOM 0 HG SER A 94 3.310 -9.750 5.320 1.00 0.00 H new ATOM 483 N GLY A 95 5.439 -7.463 1.005 1.00 0.00 N ATOM 484 CA GLY A 95 5.240 -7.514 -0.430 1.00 0.00 C ATOM 485 C GLY A 95 4.915 -6.165 -1.020 1.00 0.00 C ATOM 486 O GLY A 95 4.472 -5.254 -0.321 1.00 0.00 O ATOM 0 H GLY A 95 6.397 -7.273 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.140 -7.906 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.432 -8.209 -0.656 1.00 0.00 H new ATOM 490 N GLU A 96 5.132 -6.048 -2.322 1.00 0.00 N ATOM 491 CA GLU A 96 4.864 -4.818 -3.048 1.00 0.00 C ATOM 492 C GLU A 96 3.472 -4.263 -2.721 1.00 0.00 C ATOM 493 O GLU A 96 3.210 -3.078 -2.915 1.00 0.00 O ATOM 494 CB GLU A 96 5.008 -5.079 -4.544 1.00 0.00 C ATOM 495 CG GLU A 96 4.024 -4.305 -5.370 1.00 0.00 C ATOM 496 CD GLU A 96 4.271 -4.425 -6.861 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.270 -3.850 -7.345 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.467 -5.093 -7.545 1.00 0.00 O ATOM 0 H GLU A 96 5.498 -6.802 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 96 5.588 -4.063 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.020 -4.821 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.877 -6.144 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.016 -4.655 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.067 -3.254 -5.085 1.00 0.00 H new ATOM 505 N TRP A 97 2.582 -5.121 -2.231 1.00 0.00 N ATOM 506 CA TRP A 97 1.232 -4.698 -1.884 1.00 0.00 C ATOM 507 C TRP A 97 1.021 -4.752 -0.374 1.00 0.00 C ATOM 508 O TRP A 97 1.034 -5.826 0.227 1.00 0.00 O ATOM 509 CB TRP A 97 0.212 -5.579 -2.602 1.00 0.00 C ATOM 510 CG TRP A 97 0.057 -5.218 -4.048 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.787 -5.698 -5.096 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.876 -4.285 -4.601 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.369 -5.115 -6.268 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.653 -4.244 -5.990 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.878 -3.480 -4.057 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.394 -3.427 -6.839 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.611 -2.671 -4.897 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.368 -2.648 -6.276 1.00 0.00 C ATOM 0 H TRP A 97 2.772 -6.110 -2.066 1.00 0.00 H new ATOM 0 HA TRP A 97 1.094 -3.666 -2.206 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.518 -6.622 -2.522 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.753 -5.491 -2.104 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.578 -6.429 -5.016 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.756 -5.300 -7.194 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.075 -3.491 -2.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.207 -3.409 -7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.387 -2.043 -4.485 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.961 -2.003 -6.907 1.00 0.00 H new ATOM 529 N TRP A 98 0.843 -3.581 0.238 1.00 0.00 N ATOM 530 CA TRP A 98 0.649 -3.493 1.682 1.00 0.00 C ATOM 531 C TRP A 98 -0.824 -3.439 2.061 1.00 0.00 C ATOM 532 O TRP A 98 -1.608 -2.703 1.461 1.00 0.00 O ATOM 533 CB TRP A 98 1.350 -2.256 2.242 1.00 0.00 C ATOM 534 CG TRP A 98 2.841 -2.372 2.265 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.595 -3.383 1.751 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.756 -1.440 2.843 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.929 -3.139 1.977 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.052 -1.948 2.644 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.598 -0.227 3.507 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.188 -1.276 3.090 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.723 0.441 3.950 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.005 -0.083 3.739 1.00 0.00 C ATOM 0 H TRP A 98 0.829 -2.682 -0.245 1.00 0.00 H new ATOM 0 HA TRP A 98 1.082 -4.396 2.112 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.071 -1.388 1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.992 -2.073 3.255 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.202 -4.250 1.240 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.700 -3.744 1.695 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.613 0.185 3.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.177 -1.680 2.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.612 1.383 4.467 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.866 0.464 4.095 1.00 0.00 H new ATOM 553 N LYS A 99 -1.178 -4.197 3.089 1.00 0.00 N ATOM 554 CA LYS A 99 -2.540 -4.217 3.594 1.00 0.00 C ATOM 555 C LYS A 99 -2.735 -3.047 4.547 1.00 0.00 C ATOM 556 O LYS A 99 -2.125 -3.004 5.613 1.00 0.00 O ATOM 557 CB LYS A 99 -2.821 -5.534 4.325 1.00 0.00 C ATOM 558 CG LYS A 99 -4.175 -5.582 5.015 1.00 0.00 C ATOM 559 CD LYS A 99 -5.231 -4.864 4.207 1.00 0.00 C ATOM 560 CE LYS A 99 -6.631 -5.271 4.634 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.373 -5.957 3.540 1.00 0.00 N ATOM 0 H LYS A 99 -0.535 -4.809 3.591 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.233 -4.132 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.760 -6.355 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.040 -5.699 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.472 -6.620 5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.098 -5.127 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.112 -3.787 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.094 -5.085 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.568 -5.932 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.185 -4.387 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.303 -5.508 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.833 -5.883 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.502 -6.960 3.784 1.00 0.00 H new ATOM 575 N ALA A 100 -3.572 -2.092 4.162 1.00 0.00 N ATOM 576 CA ALA A 100 -3.812 -0.928 5.003 1.00 0.00 C ATOM 577 C ALA A 100 -5.265 -0.821 5.407 1.00 0.00 C ATOM 578 O ALA A 100 -6.166 -1.090 4.613 1.00 0.00 O ATOM 579 CB ALA A 100 -3.387 0.348 4.292 1.00 0.00 C ATOM 0 H ALA A 100 -4.090 -2.100 3.283 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.213 -1.056 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.575 1.205 4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.324 0.297 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.957 0.458 3.369 1.00 0.00 H new ATOM 585 N GLN A 101 -5.488 -0.383 6.635 1.00 0.00 N ATOM 586 CA GLN A 101 -6.832 -0.190 7.126 1.00 0.00 C ATOM 587 C GLN A 101 -7.090 1.295 7.230 1.00 0.00 C ATOM 588 O GLN A 101 -6.510 1.980 8.070 1.00 0.00 O ATOM 589 CB GLN A 101 -7.041 -0.865 8.481 1.00 0.00 C ATOM 590 CG GLN A 101 -8.372 -0.527 9.114 1.00 0.00 C ATOM 591 CD GLN A 101 -8.428 -0.872 10.589 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.928 -1.930 10.973 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.914 0.022 11.425 1.00 0.00 N ATOM 0 H GLN A 101 -4.753 -0.156 7.305 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.535 -0.650 6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.969 -1.945 8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.239 -0.567 9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.569 0.538 8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.164 -1.062 8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.510 0.886 11.063 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.923 -0.155 12.430 1.00 0.00 H new ATOM 602 N SER A 102 -7.956 1.790 6.367 1.00 0.00 N ATOM 603 CA SER A 102 -8.286 3.193 6.351 1.00 0.00 C ATOM 604 C SER A 102 -8.622 3.669 7.757 1.00 0.00 C ATOM 605 O SER A 102 -8.781 2.859 8.670 1.00 0.00 O ATOM 606 CB SER A 102 -9.451 3.414 5.399 1.00 0.00 C ATOM 607 OG SER A 102 -9.042 4.118 4.239 1.00 0.00 O ATOM 0 H SER A 102 -8.444 1.233 5.665 1.00 0.00 H new ATOM 0 HA SER A 102 -7.432 3.774 6.003 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.876 2.452 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.238 3.972 5.907 1.00 0.00 H new ATOM 0 HG SER A 102 -9.811 4.244 3.645 1.00 0.00 H new ATOM 613 N LEU A 103 -8.699 4.972 7.938 1.00 0.00 N ATOM 614 CA LEU A 103 -8.993 5.520 9.255 1.00 0.00 C ATOM 615 C LEU A 103 -10.184 6.465 9.225 1.00 0.00 C ATOM 616 O LEU A 103 -10.859 6.656 10.236 1.00 0.00 O ATOM 617 CB LEU A 103 -7.758 6.204 9.806 1.00 0.00 C ATOM 618 CG LEU A 103 -6.680 5.220 10.264 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.634 5.059 9.181 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.043 5.650 11.574 1.00 0.00 C ATOM 0 H LEU A 103 -8.565 5.667 7.203 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.269 4.698 9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.342 6.860 9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.045 6.836 10.646 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.157 4.256 10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.870 4.357 9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.105 4.679 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.173 6.025 8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.283 4.925 11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.581 6.629 11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.807 5.705 12.349 1.00 0.00 H new ATOM 632 N THR A 104 -10.458 7.027 8.062 1.00 0.00 N ATOM 633 CA THR A 104 -11.587 7.916 7.901 1.00 0.00 C ATOM 634 C THR A 104 -12.840 7.084 7.680 1.00 0.00 C ATOM 635 O THR A 104 -13.912 7.369 8.214 1.00 0.00 O ATOM 636 CB THR A 104 -11.348 8.833 6.711 1.00 0.00 C ATOM 637 OG1 THR A 104 -9.986 9.212 6.632 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.171 10.082 6.775 1.00 0.00 C ATOM 0 H THR A 104 -9.910 6.881 7.214 1.00 0.00 H new ATOM 0 HA THR A 104 -11.711 8.528 8.794 1.00 0.00 H new ATOM 0 HB THR A 104 -11.640 8.261 5.830 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.641 9.008 5.738 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.962 10.701 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.229 9.820 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.922 10.636 7.680 1.00 0.00 H new ATOM 646 N THR A 105 -12.661 6.043 6.888 1.00 0.00 N ATOM 647 CA THR A 105 -13.711 5.100 6.546 1.00 0.00 C ATOM 648 C THR A 105 -13.440 3.771 7.234 1.00 0.00 C ATOM 649 O THR A 105 -14.345 3.054 7.662 1.00 0.00 O ATOM 650 CB THR A 105 -13.708 4.894 5.041 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.874 3.805 4.679 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.229 6.106 4.271 1.00 0.00 C ATOM 0 H THR A 105 -11.763 5.825 6.455 1.00 0.00 H new ATOM 0 HA THR A 105 -14.678 5.485 6.870 1.00 0.00 H new ATOM 0 HB THR A 105 -14.748 4.700 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.950 3.641 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.252 5.891 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.880 6.953 4.484 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.209 6.348 4.571 1.00 0.00 H new ATOM 660 N GLY A 106 -12.156 3.478 7.310 1.00 0.00 N ATOM 661 CA GLY A 106 -11.654 2.274 7.910 1.00 0.00 C ATOM 662 C GLY A 106 -11.708 1.079 6.987 1.00 0.00 C ATOM 663 O GLY A 106 -11.282 -0.014 7.357 1.00 0.00 O ATOM 0 H GLY A 106 -11.424 4.088 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.623 2.435 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.231 2.056 8.809 1.00 0.00 H new ATOM 667 N GLN A 107 -12.215 1.280 5.776 1.00 0.00 N ATOM 668 CA GLN A 107 -12.296 0.216 4.807 1.00 0.00 C ATOM 669 C GLN A 107 -10.963 -0.494 4.667 1.00 0.00 C ATOM 670 O GLN A 107 -9.940 0.120 4.364 1.00 0.00 O ATOM 671 CB GLN A 107 -12.759 0.784 3.489 1.00 0.00 C ATOM 672 CG GLN A 107 -14.262 0.844 3.410 1.00 0.00 C ATOM 673 CD GLN A 107 -14.815 2.239 3.621 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.467 3.175 2.900 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.685 2.384 4.614 1.00 0.00 N ATOM 0 H GLN A 107 -12.575 2.177 5.450 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.018 -0.527 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.347 1.784 3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.375 0.172 2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.583 0.476 2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.686 0.175 4.159 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.945 1.580 5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.094 3.299 4.805 1.00 0.00 H new ATOM 684 N GLU A 108 -10.985 -1.791 4.915 1.00 0.00 N ATOM 685 CA GLU A 108 -9.777 -2.602 4.846 1.00 0.00 C ATOM 686 C GLU A 108 -9.548 -3.148 3.442 1.00 0.00 C ATOM 687 O GLU A 108 -10.494 -3.500 2.738 1.00 0.00 O ATOM 688 CB GLU A 108 -9.856 -3.748 5.851 1.00 0.00 C ATOM 689 CG GLU A 108 -10.103 -3.287 7.274 1.00 0.00 C ATOM 690 CD GLU A 108 -11.258 -4.014 7.934 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.559 -5.153 7.518 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.862 -3.444 8.867 1.00 0.00 O ATOM 0 H GLU A 108 -11.827 -2.309 5.167 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.931 -1.962 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.655 -4.427 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.926 -4.315 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.199 -3.440 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.306 -2.216 7.274 1.00 0.00 H new ATOM 699 N GLY A 109 -8.282 -3.213 3.045 1.00 0.00 N ATOM 700 CA GLY A 109 -7.939 -3.717 1.730 1.00 0.00 C ATOM 701 C GLY A 109 -6.459 -3.593 1.434 1.00 0.00 C ATOM 702 O GLY A 109 -5.697 -3.067 2.244 1.00 0.00 O ATOM 0 H GLY A 109 -7.485 -2.924 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.235 -4.763 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.505 -3.171 0.975 1.00 0.00 H new ATOM 706 N PHE A 110 -6.052 -4.079 0.269 1.00 0.00 N ATOM 707 CA PHE A 110 -4.662 -4.030 -0.142 1.00 0.00 C ATOM 708 C PHE A 110 -4.352 -2.705 -0.830 1.00 0.00 C ATOM 709 O PHE A 110 -5.220 -2.109 -1.462 1.00 0.00 O ATOM 710 CB PHE A 110 -4.372 -5.196 -1.081 1.00 0.00 C ATOM 711 CG PHE A 110 -3.808 -6.401 -0.384 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.381 -6.868 0.789 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.708 -7.066 -0.899 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.866 -7.977 1.433 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.188 -8.175 -0.259 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.768 -8.631 0.908 1.00 0.00 C ATOM 0 H PHE A 110 -6.674 -4.515 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.026 -4.109 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.293 -5.479 -1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.670 -4.868 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.239 -6.360 1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.251 -6.714 -1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.321 -8.332 2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.329 -8.684 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.364 -9.498 1.410 1.00 0.00 H new ATOM 726 N ILE A 111 -3.116 -2.242 -0.697 1.00 0.00 N ATOM 727 CA ILE A 111 -2.719 -0.979 -1.305 1.00 0.00 C ATOM 728 C ILE A 111 -1.271 -1.004 -1.786 1.00 0.00 C ATOM 729 O ILE A 111 -0.393 -1.579 -1.144 1.00 0.00 O ATOM 730 CB ILE A 111 -2.888 0.192 -0.314 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.948 0.005 0.879 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.334 0.300 0.145 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.494 1.299 1.515 1.00 0.00 C ATOM 0 H ILE A 111 -2.377 -2.717 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.374 -0.835 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.627 1.122 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.451 -0.601 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.071 -0.554 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.433 1.131 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.978 0.472 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.629 -0.626 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.831 1.080 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.961 1.899 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.362 1.852 1.874 1.00 0.00 H new ATOM 745 N PRO A 112 -1.012 -0.350 -2.925 1.00 0.00 N ATOM 746 CA PRO A 112 0.324 -0.257 -3.502 1.00 0.00 C ATOM 747 C PRO A 112 1.339 0.237 -2.473 1.00 0.00 C ATOM 748 O PRO A 112 1.299 1.395 -2.056 1.00 0.00 O ATOM 749 CB PRO A 112 0.169 0.760 -4.647 1.00 0.00 C ATOM 750 CG PRO A 112 -1.205 1.332 -4.512 1.00 0.00 C ATOM 751 CD PRO A 112 -2.008 0.357 -3.718 1.00 0.00 C ATOM 0 HA PRO A 112 0.694 -1.224 -3.844 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.925 1.542 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.297 0.278 -5.616 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.172 2.301 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.654 1.493 -5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.738 0.862 -3.085 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.562 -0.324 -4.364 1.00 0.00 H new ATOM 759 N PHE A 113 2.234 -0.650 -2.046 1.00 0.00 N ATOM 760 CA PHE A 113 3.243 -0.306 -1.043 1.00 0.00 C ATOM 761 C PHE A 113 3.961 1.003 -1.376 1.00 0.00 C ATOM 762 O PHE A 113 4.460 1.689 -0.484 1.00 0.00 O ATOM 763 CB PHE A 113 4.256 -1.449 -0.890 1.00 0.00 C ATOM 764 CG PHE A 113 5.377 -1.423 -1.896 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.117 -1.234 -3.244 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.692 -1.585 -1.488 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.147 -1.207 -4.166 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.726 -1.561 -2.405 1.00 0.00 C ATOM 769 CZ PHE A 113 7.453 -1.371 -3.746 1.00 0.00 C ATOM 0 H PHE A 113 2.283 -1.613 -2.378 1.00 0.00 H new ATOM 0 HA PHE A 113 2.724 -0.160 -0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.682 -1.409 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.729 -2.399 -0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.098 -1.106 -3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.911 -1.732 -0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.931 -1.058 -5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.746 -1.691 -2.074 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.259 -1.351 -4.465 1.00 0.00 H new ATOM 779 N ASN A 114 4.011 1.348 -2.659 1.00 0.00 N ATOM 780 CA ASN A 114 4.671 2.574 -3.091 1.00 0.00 C ATOM 781 C ASN A 114 3.661 3.694 -3.317 1.00 0.00 C ATOM 782 O ASN A 114 3.864 4.566 -4.163 1.00 0.00 O ATOM 783 CB ASN A 114 5.469 2.324 -4.359 1.00 0.00 C ATOM 784 CG ASN A 114 6.955 2.563 -4.169 1.00 0.00 C ATOM 785 OD1 ASN A 114 7.361 3.486 -3.463 1.00 0.00 O ATOM 786 ND2 ASN A 114 7.774 1.730 -4.801 1.00 0.00 N ATOM 0 H ASN A 114 3.604 0.798 -3.415 1.00 0.00 H new ATOM 0 HA ASN A 114 5.351 2.887 -2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.309 1.297 -4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.098 2.974 -5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.784 1.842 -4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.393 0.979 -5.376 1.00 0.00 H new ATOM 793 N PHE A 115 2.568 3.662 -2.562 1.00 0.00 N ATOM 794 CA PHE A 115 1.521 4.671 -2.689 1.00 0.00 C ATOM 795 C PHE A 115 1.272 5.404 -1.375 1.00 0.00 C ATOM 796 O PHE A 115 0.281 6.123 -1.250 1.00 0.00 O ATOM 797 CB PHE A 115 0.221 4.012 -3.136 1.00 0.00 C ATOM 798 CG PHE A 115 -0.360 4.600 -4.385 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.405 4.731 -5.532 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.677 5.019 -4.409 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.138 5.273 -6.680 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.225 5.559 -5.549 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.456 5.687 -6.690 1.00 0.00 C ATOM 0 H PHE A 115 2.384 2.949 -1.856 1.00 0.00 H new ATOM 0 HA PHE A 115 1.858 5.397 -3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.401 2.949 -3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.511 4.094 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.435 4.406 -5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.284 4.921 -3.521 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.467 5.373 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.255 5.883 -5.552 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.884 6.109 -7.587 1.00 0.00 H new ATOM 813 N VAL A 116 2.143 5.215 -0.389 1.00 0.00 N ATOM 814 CA VAL A 116 1.946 5.867 0.898 1.00 0.00 C ATOM 815 C VAL A 116 3.255 6.222 1.591 1.00 0.00 C ATOM 816 O VAL A 116 4.274 5.552 1.423 1.00 0.00 O ATOM 817 CB VAL A 116 1.112 4.983 1.841 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.321 4.885 1.343 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.736 3.599 1.977 1.00 0.00 C ATOM 0 H VAL A 116 2.975 4.628 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 116 1.415 6.794 0.682 1.00 0.00 H new ATOM 0 HB VAL A 116 1.102 5.444 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -0.899 4.256 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.762 5.881 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.330 4.447 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.130 2.991 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.782 3.123 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.743 3.692 2.382 1.00 0.00 H new ATOM 829 N ALA A 117 3.196 7.283 2.391 1.00 0.00 N ATOM 830 CA ALA A 117 4.341 7.759 3.151 1.00 0.00 C ATOM 831 C ALA A 117 3.892 8.167 4.551 1.00 0.00 C ATOM 832 O ALA A 117 2.818 8.741 4.717 1.00 0.00 O ATOM 833 CB ALA A 117 5.006 8.925 2.437 1.00 0.00 C ATOM 0 H ALA A 117 2.350 7.836 2.529 1.00 0.00 H new ATOM 0 HA ALA A 117 5.073 6.956 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.861 9.269 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.344 8.603 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.291 9.740 2.327 1.00 0.00 H new ATOM 839 N LYS A 118 4.707 7.855 5.554 1.00 0.00 N ATOM 840 CA LYS A 118 4.380 8.174 6.945 1.00 0.00 C ATOM 841 C LYS A 118 3.722 9.544 7.079 1.00 0.00 C ATOM 842 O LYS A 118 4.124 10.503 6.421 1.00 0.00 O ATOM 843 CB LYS A 118 5.644 8.127 7.806 1.00 0.00 C ATOM 844 CG LYS A 118 6.291 6.753 7.863 1.00 0.00 C ATOM 845 CD LYS A 118 5.270 5.678 8.190 1.00 0.00 C ATOM 846 CE LYS A 118 5.915 4.306 8.289 1.00 0.00 C ATOM 847 NZ LYS A 118 6.788 4.186 9.489 1.00 0.00 N ATOM 0 H LYS A 118 5.602 7.380 5.432 1.00 0.00 H new ATOM 0 HA LYS A 118 3.667 7.425 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.366 8.844 7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.396 8.445 8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.763 6.531 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.079 6.750 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.777 5.918 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.498 5.663 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.138 3.542 8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.504 4.117 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.100 3.199 9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.619 4.802 9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.256 4.473 10.335 1.00 0.00 H new ATOM 861 N ALA A 119 2.708 9.627 7.942 1.00 0.00 N ATOM 862 CA ALA A 119 1.994 10.884 8.173 1.00 0.00 C ATOM 863 C ALA A 119 2.876 11.889 8.909 1.00 0.00 C ATOM 864 O ALA A 119 2.492 12.421 9.952 1.00 0.00 O ATOM 865 CB ALA A 119 0.706 10.645 8.960 1.00 0.00 C ATOM 0 H ALA A 119 2.363 8.840 8.492 1.00 0.00 H new ATOM 0 HA ALA A 119 1.735 11.298 7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.195 11.595 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.057 9.972 8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.947 10.197 9.924 1.00 0.00 H new ATOM 871 N ASN A 120 4.059 12.147 8.362 1.00 0.00 N ATOM 872 CA ASN A 120 4.993 13.088 8.968 1.00 0.00 C ATOM 873 C ASN A 120 4.846 14.475 8.351 1.00 0.00 C ATOM 874 O ASN A 120 4.518 15.422 9.095 1.00 0.00 O ATOM 875 CB ASN A 120 6.431 12.593 8.800 1.00 0.00 C ATOM 876 CG ASN A 120 6.817 12.424 7.343 1.00 0.00 C ATOM 877 OD1 ASN A 120 5.958 12.280 6.474 1.00 0.00 O ATOM 878 ND2 ASN A 120 8.117 12.441 7.070 1.00 0.00 N ATOM 879 OXT ASN A 120 5.061 14.603 7.127 1.00 0.00 O ATOM 0 H ASN A 120 4.394 11.717 7.500 1.00 0.00 H new ATOM 0 HA ASN A 120 4.761 13.156 10.031 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.113 13.299 9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.547 11.640 9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 120 8.438 12.332 6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.795 12.563 7.823 1.00 0.00 H new TER 886 ASN A 120