USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 15 TYR OH : rot 159:sc= -0.0225 USER MOD Set 1.2: A 34 MET CE :methyl -164:sc= -1.57 (180deg=-1.93) USER MOD Set 2.1: A 10 ASN : amide:sc= -0.0872 K(o=-0.1,f=-0.98) USER MOD Set 2.2: A 76 HIS : no HE2:sc= -0.0141 X(o=-0.1,f=-0.26) USER MOD Single : A 1 MET CE :methyl -117:sc= 0 (180deg=-1.66) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.00283 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -73:sc= 0.0596 USER MOD Single : A 9 THR OG1 : rot 74:sc= 0.485 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0135 K(o=-0.013,f=-1.4) USER MOD Single : A 20 LYS NZ :NH3+ 142:sc= 0.642 (180deg=0.343) USER MOD Single : A 24 MET CE :methyl -179:sc= -1.94 (180deg=-1.97) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.804 F(o=-2.1!,f=-0.8) USER MOD Single : A 28 ASN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 38 MET CE :methyl -170:sc= 0 (180deg=-0.107) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0352) USER MOD Single : A 45 THR OG1 : rot -44:sc= 0.645 USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= 0.748 (180deg=-0.24) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00618 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 71 HIS : no HD1:sc=-0.00307 X(o=-0.0031,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 73 HIS : no HD1:sc=-0.00447 X(o=-0.0045,f=-0.0045) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.761 -8.726 4.437 1.00 62.21 N ATOM 2 CA MET A 1 -12.640 -7.390 3.817 1.00 12.43 C ATOM 3 C MET A 1 -11.799 -6.475 4.702 1.00 60.43 C ATOM 4 O MET A 1 -12.007 -6.401 5.917 1.00 61.34 O ATOM 5 CB MET A 1 -14.036 -6.790 3.582 1.00 23.04 C ATOM 6 CG MET A 1 -14.026 -5.417 2.918 1.00 43.04 C ATOM 7 SD MET A 1 -13.134 -5.407 1.356 1.00 35.24 S ATOM 8 CE MET A 1 -13.275 -3.685 0.894 1.00 45.45 C ATOM 0 H1 MET A 1 -13.733 -9.076 4.320 1.00 62.21 H new ATOM 0 H2 MET A 1 -12.098 -9.383 3.978 1.00 62.21 H new ATOM 0 H3 MET A 1 -12.537 -8.660 5.450 1.00 62.21 H new ATOM 0 HA MET A 1 -12.141 -7.488 2.853 1.00 12.43 H new ATOM 0 HB2 MET A 1 -14.614 -7.476 2.962 1.00 23.04 H new ATOM 0 HB3 MET A 1 -14.552 -6.714 4.539 1.00 23.04 H new ATOM 0 HG2 MET A 1 -15.053 -5.093 2.747 1.00 43.04 H new ATOM 0 HG3 MET A 1 -13.572 -4.694 3.595 1.00 43.04 H new ATOM 0 HE1 MET A 1 -13.839 -3.603 -0.035 1.00 45.45 H new ATOM 0 HE2 MET A 1 -13.792 -3.138 1.682 1.00 45.45 H new ATOM 0 HE3 MET A 1 -12.280 -3.264 0.752 1.00 45.45 H new ATOM 20 N ILE A 2 -10.840 -5.800 4.078 1.00 21.21 N ATOM 21 CA ILE A 2 -9.959 -4.866 4.764 1.00 11.41 C ATOM 22 C ILE A 2 -10.613 -3.473 4.824 1.00 13.32 C ATOM 23 O ILE A 2 -11.440 -3.125 3.971 1.00 40.14 O ATOM 24 CB ILE A 2 -8.563 -4.807 4.051 1.00 21.14 C ATOM 25 CG1 ILE A 2 -7.541 -4.023 4.892 1.00 41.53 C ATOM 26 CG2 ILE A 2 -8.684 -4.206 2.646 1.00 15.40 C ATOM 27 CD1 ILE A 2 -6.147 -3.990 4.316 1.00 52.35 C ATOM 0 H ILE A 2 -10.652 -5.886 3.079 1.00 21.21 H new ATOM 0 HA ILE A 2 -9.798 -5.212 5.785 1.00 11.41 H new ATOM 0 HB ILE A 2 -8.202 -5.831 3.951 1.00 21.14 H new ATOM 0 HG12 ILE A 2 -7.896 -2.999 5.009 1.00 41.53 H new ATOM 0 HG13 ILE A 2 -7.498 -4.462 5.889 1.00 41.53 H new ATOM 0 HG21 ILE A 2 -7.701 -4.178 2.176 1.00 15.40 H new ATOM 0 HG22 ILE A 2 -9.356 -4.819 2.045 1.00 15.40 H new ATOM 0 HG23 ILE A 2 -9.082 -3.194 2.716 1.00 15.40 H new ATOM 0 HD11 ILE A 2 -5.495 -3.416 4.974 1.00 52.35 H new ATOM 0 HD12 ILE A 2 -5.767 -5.007 4.225 1.00 52.35 H new ATOM 0 HD13 ILE A 2 -6.171 -3.522 3.332 1.00 52.35 H new ATOM 39 N ARG A 3 -10.286 -2.707 5.854 1.00 63.35 N ATOM 40 CA ARG A 3 -10.706 -1.316 5.929 1.00 42.50 C ATOM 41 C ARG A 3 -9.497 -0.398 5.749 1.00 21.42 C ATOM 42 O ARG A 3 -8.686 -0.189 6.651 1.00 2.11 O ATOM 43 CB ARG A 3 -11.510 -0.984 7.219 1.00 34.41 C ATOM 44 CG ARG A 3 -10.849 -1.331 8.558 1.00 33.11 C ATOM 45 CD ARG A 3 -11.010 -2.797 8.935 1.00 35.44 C ATOM 46 NE ARG A 3 -12.415 -3.170 9.106 1.00 12.53 N ATOM 47 CZ ARG A 3 -12.982 -3.461 10.282 1.00 3.44 C ATOM 48 NH1 ARG A 3 -12.259 -3.454 11.399 1.00 74.51 N ATOM 49 NH2 ARG A 3 -14.274 -3.750 10.334 1.00 54.24 N ATOM 0 H ARG A 3 -9.731 -3.025 6.649 1.00 63.35 H new ATOM 0 HA ARG A 3 -11.404 -1.140 5.111 1.00 42.50 H new ATOM 0 HB2 ARG A 3 -11.730 0.084 7.216 1.00 34.41 H new ATOM 0 HB3 ARG A 3 -12.465 -1.506 7.167 1.00 34.41 H new ATOM 0 HG2 ARG A 3 -9.788 -1.088 8.507 1.00 33.11 H new ATOM 0 HG3 ARG A 3 -11.281 -0.710 9.343 1.00 33.11 H new ATOM 0 HD2 ARG A 3 -10.561 -3.421 8.162 1.00 35.44 H new ATOM 0 HD3 ARG A 3 -10.468 -2.995 9.860 1.00 35.44 H new ATOM 0 HE ARG A 3 -13.001 -3.211 8.272 1.00 12.53 H new ATOM 0 HH11 ARG A 3 -11.266 -3.226 11.362 1.00 74.51 H new ATOM 0 HH12 ARG A 3 -12.698 -3.677 12.292 1.00 74.51 H new ATOM 0 HH21 ARG A 3 -14.831 -3.750 9.480 1.00 54.24 H new ATOM 0 HH22 ARG A 3 -14.711 -3.973 11.228 1.00 54.24 H new ATOM 63 N LEU A 4 -9.345 0.075 4.531 1.00 51.43 N ATOM 64 CA LEU A 4 -8.326 1.054 4.206 1.00 32.01 C ATOM 65 C LEU A 4 -8.971 2.402 3.996 1.00 54.50 C ATOM 66 O LEU A 4 -10.147 2.479 3.617 1.00 35.05 O ATOM 67 CB LEU A 4 -7.582 0.646 2.938 1.00 63.33 C ATOM 68 CG LEU A 4 -6.644 -0.541 3.093 1.00 25.15 C ATOM 69 CD1 LEU A 4 -6.348 -1.158 1.742 1.00 65.21 C ATOM 70 CD2 LEU A 4 -5.354 -0.106 3.765 1.00 51.31 C ATOM 0 H LEU A 4 -9.922 -0.206 3.738 1.00 51.43 H new ATOM 0 HA LEU A 4 -7.616 1.109 5.031 1.00 32.01 H new ATOM 0 HB2 LEU A 4 -8.314 0.412 2.165 1.00 63.33 H new ATOM 0 HB3 LEU A 4 -7.006 1.500 2.583 1.00 63.33 H new ATOM 0 HG LEU A 4 -7.130 -1.290 3.719 1.00 25.15 H new ATOM 0 HD11 LEU A 4 -5.675 -2.006 1.869 1.00 65.21 H new ATOM 0 HD12 LEU A 4 -7.278 -1.497 1.285 1.00 65.21 H new ATOM 0 HD13 LEU A 4 -5.877 -0.415 1.098 1.00 65.21 H new ATOM 0 HD21 LEU A 4 -4.691 -0.965 3.870 1.00 51.31 H new ATOM 0 HD22 LEU A 4 -4.867 0.657 3.158 1.00 51.31 H new ATOM 0 HD23 LEU A 4 -5.577 0.303 4.750 1.00 51.31 H new ATOM 82 N THR A 5 -8.222 3.464 4.243 1.00 13.41 N ATOM 83 CA THR A 5 -8.709 4.791 3.931 1.00 5.11 C ATOM 84 C THR A 5 -8.498 5.083 2.448 1.00 71.23 C ATOM 85 O THR A 5 -7.728 4.391 1.774 1.00 53.23 O ATOM 86 CB THR A 5 -8.045 5.881 4.794 1.00 64.13 C ATOM 87 OG1 THR A 5 -6.629 5.860 4.624 1.00 71.12 O ATOM 88 CG2 THR A 5 -8.385 5.699 6.267 1.00 32.55 C ATOM 0 H THR A 5 -7.288 3.432 4.653 1.00 13.41 H new ATOM 0 HA THR A 5 -9.774 4.812 4.162 1.00 5.11 H new ATOM 0 HB THR A 5 -8.433 6.845 4.464 1.00 64.13 H new ATOM 0 HG1 THR A 5 -6.256 5.078 5.083 1.00 71.12 H new ATOM 0 HG21 THR A 5 -7.903 6.483 6.851 1.00 32.55 H new ATOM 0 HG22 THR A 5 -9.465 5.759 6.401 1.00 32.55 H new ATOM 0 HG23 THR A 5 -8.031 4.725 6.604 1.00 32.55 H new ATOM 96 N ILE A 6 -9.187 6.103 1.952 1.00 70.23 N ATOM 97 CA ILE A 6 -9.178 6.443 0.524 1.00 24.24 C ATOM 98 C ILE A 6 -7.792 6.954 0.083 1.00 14.12 C ATOM 99 O ILE A 6 -7.378 6.743 -1.058 1.00 64.25 O ATOM 100 CB ILE A 6 -10.287 7.494 0.204 1.00 4.44 C ATOM 101 CG1 ILE A 6 -11.657 7.058 0.776 1.00 24.24 C ATOM 102 CG2 ILE A 6 -10.404 7.749 -1.295 1.00 50.34 C ATOM 103 CD1 ILE A 6 -12.132 5.681 0.348 1.00 53.31 C ATOM 0 H ILE A 6 -9.767 6.719 2.521 1.00 70.23 H new ATOM 0 HA ILE A 6 -9.392 5.536 -0.041 1.00 24.24 H new ATOM 0 HB ILE A 6 -9.990 8.425 0.686 1.00 4.44 H new ATOM 0 HG12 ILE A 6 -11.602 7.083 1.864 1.00 24.24 H new ATOM 0 HG13 ILE A 6 -12.406 7.791 0.478 1.00 24.24 H new ATOM 0 HG21 ILE A 6 -11.186 8.486 -1.479 1.00 50.34 H new ATOM 0 HG22 ILE A 6 -9.454 8.125 -1.675 1.00 50.34 H new ATOM 0 HG23 ILE A 6 -10.656 6.818 -1.804 1.00 50.34 H new ATOM 0 HD11 ILE A 6 -13.100 5.472 0.803 1.00 53.31 H new ATOM 0 HD12 ILE A 6 -12.227 5.650 -0.737 1.00 53.31 H new ATOM 0 HD13 ILE A 6 -11.410 4.931 0.671 1.00 53.31 H new ATOM 115 N GLU A 7 -7.070 7.569 1.022 1.00 50.01 N ATOM 116 CA GLU A 7 -5.706 8.048 0.793 1.00 73.45 C ATOM 117 C GLU A 7 -4.721 6.870 0.672 1.00 71.24 C ATOM 118 O GLU A 7 -3.808 6.907 -0.149 1.00 22.13 O ATOM 119 CB GLU A 7 -5.289 8.960 1.951 1.00 12.30 C ATOM 120 CG GLU A 7 -4.175 9.943 1.611 1.00 52.31 C ATOM 121 CD GLU A 7 -4.583 10.965 0.560 1.00 20.12 C ATOM 122 OE1 GLU A 7 -5.544 11.733 0.807 1.00 54.32 O ATOM 123 OE2 GLU A 7 -3.943 11.015 -0.509 1.00 24.22 O ATOM 0 H GLU A 7 -7.416 7.749 1.965 1.00 50.01 H new ATOM 0 HA GLU A 7 -5.683 8.606 -0.143 1.00 73.45 H new ATOM 0 HB2 GLU A 7 -6.161 9.521 2.288 1.00 12.30 H new ATOM 0 HB3 GLU A 7 -4.967 8.340 2.787 1.00 12.30 H new ATOM 0 HG2 GLU A 7 -3.869 10.465 2.518 1.00 52.31 H new ATOM 0 HG3 GLU A 7 -3.306 9.390 1.254 1.00 52.31 H new ATOM 130 N GLU A 8 -4.945 5.819 1.479 1.00 34.01 N ATOM 131 CA GLU A 8 -4.086 4.624 1.482 1.00 45.12 C ATOM 132 C GLU A 8 -4.302 3.744 0.256 1.00 71.15 C ATOM 133 O GLU A 8 -3.356 3.161 -0.259 1.00 53.21 O ATOM 134 CB GLU A 8 -4.325 3.782 2.728 1.00 65.32 C ATOM 135 CG GLU A 8 -3.841 4.423 4.006 1.00 25.13 C ATOM 136 CD GLU A 8 -4.052 3.537 5.201 1.00 50.12 C ATOM 137 OE1 GLU A 8 -5.194 3.467 5.705 1.00 12.31 O ATOM 138 OE2 GLU A 8 -3.073 2.903 5.647 1.00 52.23 O ATOM 0 H GLU A 8 -5.719 5.774 2.142 1.00 34.01 H new ATOM 0 HA GLU A 8 -3.061 4.994 1.468 1.00 45.12 H new ATOM 0 HB2 GLU A 8 -5.392 3.579 2.817 1.00 65.32 H new ATOM 0 HB3 GLU A 8 -3.827 2.820 2.605 1.00 65.32 H new ATOM 0 HG2 GLU A 8 -2.781 4.659 3.913 1.00 25.13 H new ATOM 0 HG3 GLU A 8 -4.365 5.366 4.158 1.00 25.13 H new ATOM 145 N THR A 9 -5.550 3.637 -0.200 1.00 64.34 N ATOM 146 CA THR A 9 -5.869 2.850 -1.388 1.00 74.12 C ATOM 147 C THR A 9 -5.430 3.591 -2.664 1.00 20.34 C ATOM 148 O THR A 9 -5.090 2.968 -3.666 1.00 23.52 O ATOM 149 CB THR A 9 -7.366 2.490 -1.451 1.00 14.41 C ATOM 150 OG1 THR A 9 -7.841 2.131 -0.149 1.00 74.34 O ATOM 151 CG2 THR A 9 -7.607 1.311 -2.386 1.00 61.13 C ATOM 0 H THR A 9 -6.355 4.086 0.236 1.00 64.34 H new ATOM 0 HA THR A 9 -5.313 1.915 -1.321 1.00 74.12 H new ATOM 0 HB THR A 9 -7.899 3.365 -1.824 1.00 14.41 H new ATOM 0 HG1 THR A 9 -7.933 2.938 0.400 1.00 74.34 H new ATOM 0 HG21 THR A 9 -8.672 1.078 -2.411 1.00 61.13 H new ATOM 0 HG22 THR A 9 -7.267 1.567 -3.390 1.00 61.13 H new ATOM 0 HG23 THR A 9 -7.054 0.443 -2.027 1.00 61.13 H new ATOM 159 N ASN A 10 -5.428 4.933 -2.611 1.00 74.55 N ATOM 160 CA ASN A 10 -4.863 5.746 -3.693 1.00 14.21 C ATOM 161 C ASN A 10 -3.342 5.556 -3.756 1.00 11.43 C ATOM 162 O ASN A 10 -2.778 5.474 -4.834 1.00 1.24 O ATOM 163 CB ASN A 10 -5.190 7.233 -3.510 1.00 31.54 C ATOM 164 CG ASN A 10 -4.718 8.079 -4.683 1.00 51.51 C ATOM 165 OD1 ASN A 10 -3.571 8.505 -4.733 1.00 22.21 O ATOM 166 ND2 ASN A 10 -5.603 8.332 -5.636 1.00 63.13 N ATOM 0 H ASN A 10 -5.810 5.473 -1.834 1.00 74.55 H new ATOM 0 HA ASN A 10 -5.313 5.412 -4.628 1.00 14.21 H new ATOM 0 HB2 ASN A 10 -6.267 7.353 -3.389 1.00 31.54 H new ATOM 0 HB3 ASN A 10 -4.724 7.595 -2.594 1.00 31.54 H new ATOM 0 HD21 ASN A 10 -5.337 8.897 -6.442 1.00 63.13 H new ATOM 0 HD22 ASN A 10 -6.551 7.962 -5.563 1.00 63.13 H new ATOM 173 N LEU A 11 -2.715 5.464 -2.580 1.00 4.40 N ATOM 174 CA LEU A 11 -1.279 5.185 -2.434 1.00 33.01 C ATOM 175 C LEU A 11 -0.901 3.822 -3.041 1.00 5.34 C ATOM 176 O LEU A 11 0.147 3.685 -3.676 1.00 23.10 O ATOM 177 CB LEU A 11 -0.944 5.244 -0.938 1.00 11.34 C ATOM 178 CG LEU A 11 0.376 4.626 -0.482 1.00 2.43 C ATOM 179 CD1 LEU A 11 1.571 5.390 -1.016 1.00 44.30 C ATOM 180 CD2 LEU A 11 0.405 4.588 1.024 1.00 72.20 C ATOM 0 H LEU A 11 -3.195 5.583 -1.688 1.00 4.40 H new ATOM 0 HA LEU A 11 -0.698 5.929 -2.979 1.00 33.01 H new ATOM 0 HB2 LEU A 11 -0.947 6.291 -0.635 1.00 11.34 H new ATOM 0 HB3 LEU A 11 -1.750 4.752 -0.394 1.00 11.34 H new ATOM 0 HG LEU A 11 0.441 3.614 -0.881 1.00 2.43 H new ATOM 0 HD11 LEU A 11 2.490 4.918 -0.668 1.00 44.30 H new ATOM 0 HD12 LEU A 11 1.550 5.384 -2.106 1.00 44.30 H new ATOM 0 HD13 LEU A 11 1.534 6.419 -0.658 1.00 44.30 H new ATOM 0 HD21 LEU A 11 1.344 4.148 1.359 1.00 72.20 H new ATOM 0 HD22 LEU A 11 0.319 5.602 1.415 1.00 72.20 H new ATOM 0 HD23 LEU A 11 -0.428 3.987 1.389 1.00 72.20 H new ATOM 192 N LEU A 12 -1.784 2.840 -2.859 1.00 42.45 N ATOM 193 CA LEU A 12 -1.627 1.521 -3.461 1.00 5.40 C ATOM 194 C LEU A 12 -1.751 1.584 -4.989 1.00 44.50 C ATOM 195 O LEU A 12 -1.096 0.830 -5.686 1.00 12.43 O ATOM 196 CB LEU A 12 -2.663 0.545 -2.898 1.00 44.31 C ATOM 197 CG LEU A 12 -2.573 0.277 -1.393 1.00 41.44 C ATOM 198 CD1 LEU A 12 -3.760 -0.541 -0.931 1.00 4.35 C ATOM 199 CD2 LEU A 12 -1.278 -0.437 -1.037 1.00 24.51 C ATOM 0 H LEU A 12 -2.626 2.939 -2.291 1.00 42.45 H new ATOM 0 HA LEU A 12 -0.627 1.165 -3.212 1.00 5.40 H new ATOM 0 HB2 LEU A 12 -3.658 0.931 -3.121 1.00 44.31 H new ATOM 0 HB3 LEU A 12 -2.564 -0.404 -3.424 1.00 44.31 H new ATOM 0 HG LEU A 12 -2.583 1.240 -0.882 1.00 41.44 H new ATOM 0 HD11 LEU A 12 -3.681 -0.723 0.141 1.00 4.35 H new ATOM 0 HD12 LEU A 12 -4.681 0.004 -1.140 1.00 4.35 H new ATOM 0 HD13 LEU A 12 -3.774 -1.494 -1.461 1.00 4.35 H new ATOM 0 HD21 LEU A 12 -1.243 -0.613 0.038 1.00 24.51 H new ATOM 0 HD22 LEU A 12 -1.232 -1.391 -1.563 1.00 24.51 H new ATOM 0 HD23 LEU A 12 -0.429 0.181 -1.331 1.00 24.51 H new ATOM 211 N SER A 13 -2.584 2.504 -5.481 1.00 64.25 N ATOM 212 CA SER A 13 -2.774 2.730 -6.916 1.00 12.12 C ATOM 213 C SER A 13 -1.552 3.416 -7.562 1.00 25.52 C ATOM 214 O SER A 13 -1.288 3.213 -8.751 1.00 51.43 O ATOM 215 CB SER A 13 -4.039 3.569 -7.147 1.00 62.43 C ATOM 216 OG SER A 13 -4.368 3.637 -8.519 1.00 33.42 O ATOM 0 H SER A 13 -3.149 3.116 -4.892 1.00 64.25 H new ATOM 0 HA SER A 13 -2.888 1.757 -7.393 1.00 12.12 H new ATOM 0 HB2 SER A 13 -4.871 3.136 -6.593 1.00 62.43 H new ATOM 0 HB3 SER A 13 -3.886 4.575 -6.757 1.00 62.43 H new ATOM 0 HG SER A 13 -5.178 4.176 -8.635 1.00 33.42 H new ATOM 222 N ILE A 14 -0.820 4.223 -6.771 1.00 24.42 N ATOM 223 CA ILE A 14 0.395 4.917 -7.233 1.00 53.22 C ATOM 224 C ILE A 14 1.497 3.897 -7.544 1.00 52.04 C ATOM 225 O ILE A 14 2.170 3.980 -8.574 1.00 53.53 O ATOM 226 CB ILE A 14 0.905 5.933 -6.159 1.00 53.31 C ATOM 227 CG1 ILE A 14 -0.182 6.969 -5.857 1.00 73.20 C ATOM 228 CG2 ILE A 14 2.186 6.645 -6.612 1.00 75.40 C ATOM 229 CD1 ILE A 14 0.066 7.787 -4.608 1.00 54.30 C ATOM 0 H ILE A 14 -1.054 4.411 -5.796 1.00 24.42 H new ATOM 0 HA ILE A 14 0.145 5.470 -8.139 1.00 53.22 H new ATOM 0 HB ILE A 14 1.136 5.368 -5.256 1.00 53.31 H new ATOM 0 HG12 ILE A 14 -0.270 7.645 -6.708 1.00 73.20 H new ATOM 0 HG13 ILE A 14 -1.139 6.456 -5.757 1.00 73.20 H new ATOM 0 HG21 ILE A 14 2.508 7.342 -5.838 1.00 75.40 H new ATOM 0 HG22 ILE A 14 2.970 5.908 -6.785 1.00 75.40 H new ATOM 0 HG23 ILE A 14 1.992 7.192 -7.535 1.00 75.40 H new ATOM 0 HD11 ILE A 14 -0.751 8.495 -4.469 1.00 54.30 H new ATOM 0 HD12 ILE A 14 0.123 7.124 -3.744 1.00 54.30 H new ATOM 0 HD13 ILE A 14 1.005 8.331 -4.710 1.00 54.30 H new ATOM 241 N TYR A 15 1.634 2.909 -6.668 1.00 35.13 N ATOM 242 CA TYR A 15 2.699 1.923 -6.774 1.00 22.03 C ATOM 243 C TYR A 15 2.135 0.546 -7.139 1.00 25.43 C ATOM 244 O TYR A 15 2.673 -0.487 -6.733 1.00 14.35 O ATOM 245 CB TYR A 15 3.475 1.872 -5.447 1.00 1.41 C ATOM 246 CG TYR A 15 4.085 3.203 -5.062 1.00 74.53 C ATOM 247 CD1 TYR A 15 5.178 3.713 -5.752 1.00 55.12 C ATOM 248 CD2 TYR A 15 3.555 3.961 -4.029 1.00 32.43 C ATOM 249 CE1 TYR A 15 5.720 4.937 -5.424 1.00 42.14 C ATOM 250 CE2 TYR A 15 4.087 5.189 -3.700 1.00 21.31 C ATOM 251 CZ TYR A 15 5.170 5.671 -4.397 1.00 24.42 C ATOM 252 OH TYR A 15 5.700 6.895 -4.069 1.00 21.22 O ATOM 0 H TYR A 15 1.014 2.770 -5.870 1.00 35.13 H new ATOM 0 HA TYR A 15 3.381 2.214 -7.573 1.00 22.03 H new ATOM 0 HB2 TYR A 15 2.804 1.544 -4.653 1.00 1.41 H new ATOM 0 HB3 TYR A 15 4.266 1.126 -5.524 1.00 1.41 H new ATOM 0 HD1 TYR A 15 5.610 3.140 -6.559 1.00 55.12 H new ATOM 0 HD2 TYR A 15 2.710 3.582 -3.472 1.00 32.43 H new ATOM 0 HE1 TYR A 15 6.571 5.318 -5.969 1.00 42.14 H new ATOM 0 HE2 TYR A 15 3.655 5.770 -2.898 1.00 21.31 H new ATOM 0 HH TYR A 15 5.030 7.423 -3.586 1.00 21.22 H new ATOM 262 N ASN A 16 1.086 0.545 -7.964 1.00 4.05 N ATOM 263 CA ASN A 16 0.341 -0.676 -8.266 1.00 43.41 C ATOM 264 C ASN A 16 1.007 -1.487 -9.370 1.00 1.25 C ATOM 265 O ASN A 16 0.943 -1.140 -10.553 1.00 54.23 O ATOM 266 CB ASN A 16 -1.104 -0.341 -8.664 1.00 64.01 C ATOM 267 CG ASN A 16 -2.069 -1.505 -8.461 1.00 22.13 C ATOM 268 OD1 ASN A 16 -1.710 -2.680 -8.570 1.00 60.11 O ATOM 269 ND2 ASN A 16 -3.314 -1.186 -8.156 1.00 10.42 N ATOM 0 H ASN A 16 0.734 1.378 -8.435 1.00 4.05 H new ATOM 0 HA ASN A 16 0.334 -1.283 -7.361 1.00 43.41 H new ATOM 0 HB2 ASN A 16 -1.446 0.513 -8.079 1.00 64.01 H new ATOM 0 HB3 ASN A 16 -1.125 -0.039 -9.711 1.00 64.01 H new ATOM 0 HD21 ASN A 16 -4.006 -1.920 -8.004 1.00 10.42 H new ATOM 0 HD22 ASN A 16 -3.583 -0.206 -8.072 1.00 10.42 H new ATOM 276 N GLU A 17 1.666 -2.555 -8.953 1.00 61.21 N ATOM 277 CA GLU A 17 2.203 -3.546 -9.868 1.00 45.31 C ATOM 278 C GLU A 17 2.048 -4.943 -9.278 1.00 23.52 C ATOM 279 O GLU A 17 2.501 -5.216 -8.164 1.00 2.04 O ATOM 280 CB GLU A 17 3.672 -3.255 -10.217 1.00 11.54 C ATOM 281 CG GLU A 17 4.553 -2.932 -9.018 1.00 10.14 C ATOM 282 CD GLU A 17 6.023 -2.993 -9.346 1.00 60.22 C ATOM 283 OE1 GLU A 17 6.543 -2.044 -9.962 1.00 24.22 O ATOM 284 OE2 GLU A 17 6.665 -3.995 -9.000 1.00 64.44 O ATOM 0 H GLU A 17 1.844 -2.759 -7.969 1.00 61.21 H new ATOM 0 HA GLU A 17 1.635 -3.494 -10.797 1.00 45.31 H new ATOM 0 HB2 GLU A 17 4.087 -4.119 -10.735 1.00 11.54 H new ATOM 0 HB3 GLU A 17 3.708 -2.418 -10.914 1.00 11.54 H new ATOM 0 HG2 GLU A 17 4.308 -1.936 -8.649 1.00 10.14 H new ATOM 0 HG3 GLU A 17 4.335 -3.633 -8.212 1.00 10.14 H new ATOM 291 N GLY A 18 1.358 -5.803 -10.013 1.00 73.23 N ATOM 292 CA GLY A 18 1.186 -7.182 -9.603 1.00 0.14 C ATOM 293 C GLY A 18 0.035 -7.340 -8.641 1.00 53.25 C ATOM 294 O GLY A 18 -1.121 -7.428 -9.054 1.00 54.15 O ATOM 0 H GLY A 18 0.909 -5.566 -10.898 1.00 73.23 H new ATOM 0 HA2 GLY A 18 1.014 -7.804 -10.482 1.00 0.14 H new ATOM 0 HA3 GLY A 18 2.103 -7.539 -9.135 1.00 0.14 H new ATOM 298 N GLY A 19 0.364 -7.356 -7.366 1.00 34.33 N ATOM 299 CA GLY A 19 -0.628 -7.478 -6.324 1.00 1.12 C ATOM 300 C GLY A 19 -0.062 -7.044 -4.998 1.00 55.01 C ATOM 301 O GLY A 19 0.556 -5.999 -4.922 1.00 24.43 O ATOM 0 H GLY A 19 1.323 -7.285 -7.026 1.00 34.33 H new ATOM 0 HA2 GLY A 19 -1.498 -6.870 -6.570 1.00 1.12 H new ATOM 0 HA3 GLY A 19 -0.969 -8.511 -6.259 1.00 1.12 H new ATOM 305 N LYS A 20 -0.256 -7.868 -3.966 1.00 21.40 N ATOM 306 CA LYS A 20 0.176 -7.569 -2.593 1.00 3.41 C ATOM 307 C LYS A 20 1.706 -7.479 -2.504 1.00 54.40 C ATOM 308 O LYS A 20 2.241 -6.542 -1.900 1.00 14.54 O ATOM 309 CB LYS A 20 -0.400 -8.661 -1.639 1.00 61.44 C ATOM 310 CG LYS A 20 -0.025 -8.555 -0.149 1.00 3.45 C ATOM 311 CD LYS A 20 1.302 -9.256 0.144 1.00 52.20 C ATOM 312 CE LYS A 20 1.716 -9.157 1.594 1.00 62.03 C ATOM 313 NZ LYS A 20 0.953 -10.062 2.476 1.00 14.33 N ATOM 0 H LYS A 20 -0.722 -8.771 -4.058 1.00 21.40 H new ATOM 0 HA LYS A 20 -0.208 -6.596 -2.288 1.00 3.41 H new ATOM 0 HB2 LYS A 20 -1.487 -8.640 -1.717 1.00 61.44 H new ATOM 0 HB3 LYS A 20 -0.073 -9.635 -2.002 1.00 61.44 H new ATOM 0 HG2 LYS A 20 0.046 -7.505 0.136 1.00 3.45 H new ATOM 0 HG3 LYS A 20 -0.814 -8.998 0.459 1.00 3.45 H new ATOM 0 HD2 LYS A 20 1.220 -10.307 -0.134 1.00 52.20 H new ATOM 0 HD3 LYS A 20 2.082 -8.821 -0.481 1.00 52.20 H new ATOM 0 HE2 LYS A 20 2.778 -9.386 1.679 1.00 62.03 H new ATOM 0 HE3 LYS A 20 1.583 -8.130 1.934 1.00 62.03 H new ATOM 0 HZ1 LYS A 20 1.585 -10.451 3.205 1.00 14.33 H new ATOM 0 HZ2 LYS A 20 0.182 -9.534 2.932 1.00 14.33 H new ATOM 0 HZ3 LYS A 20 0.553 -10.840 1.913 1.00 14.33 H new ATOM 327 N ARG A 21 2.394 -8.452 -3.109 1.00 12.25 N ATOM 328 CA ARG A 21 3.844 -8.553 -3.017 1.00 22.31 C ATOM 329 C ARG A 21 4.519 -7.448 -3.810 1.00 23.35 C ATOM 330 O ARG A 21 5.421 -6.799 -3.307 1.00 22.22 O ATOM 331 CB ARG A 21 4.325 -9.906 -3.527 1.00 35.31 C ATOM 332 CG ARG A 21 5.385 -10.541 -2.645 1.00 4.04 C ATOM 333 CD ARG A 21 4.771 -11.158 -1.401 1.00 42.14 C ATOM 334 NE ARG A 21 3.883 -12.272 -1.735 1.00 74.15 N ATOM 335 CZ ARG A 21 3.150 -12.960 -0.862 1.00 25.21 C ATOM 336 NH1 ARG A 21 3.166 -12.666 0.434 1.00 42.12 N ATOM 337 NH2 ARG A 21 2.399 -13.960 -1.290 1.00 4.00 N ATOM 0 H ARG A 21 1.960 -9.184 -3.671 1.00 12.25 H new ATOM 0 HA ARG A 21 4.113 -8.449 -1.966 1.00 22.31 H new ATOM 0 HB2 ARG A 21 3.473 -10.582 -3.602 1.00 35.31 H new ATOM 0 HB3 ARG A 21 4.725 -9.785 -4.534 1.00 35.31 H new ATOM 0 HG2 ARG A 21 5.918 -11.307 -3.208 1.00 4.04 H new ATOM 0 HG3 ARG A 21 6.119 -9.789 -2.356 1.00 4.04 H new ATOM 0 HD2 ARG A 21 5.563 -11.509 -0.739 1.00 42.14 H new ATOM 0 HD3 ARG A 21 4.213 -10.398 -0.855 1.00 42.14 H new ATOM 0 HE ARG A 21 3.820 -12.544 -2.716 1.00 74.15 H new ATOM 0 HH11 ARG A 21 3.747 -11.901 0.776 1.00 42.12 H new ATOM 0 HH12 ARG A 21 2.597 -13.205 1.086 1.00 42.12 H new ATOM 0 HH21 ARG A 21 2.384 -14.199 -2.282 1.00 4.00 H new ATOM 0 HH22 ARG A 21 1.834 -14.493 -0.629 1.00 4.00 H new ATOM 351 N GLY A 22 4.069 -7.258 -5.053 1.00 64.54 N ATOM 352 CA GLY A 22 4.604 -6.224 -5.926 1.00 23.34 C ATOM 353 C GLY A 22 4.324 -4.810 -5.436 1.00 31.02 C ATOM 354 O GLY A 22 5.094 -3.898 -5.724 1.00 4.32 O ATOM 0 H GLY A 22 3.327 -7.816 -5.476 1.00 64.54 H new ATOM 0 HA2 GLY A 22 5.681 -6.361 -6.020 1.00 23.34 H new ATOM 0 HA3 GLY A 22 4.179 -6.345 -6.922 1.00 23.34 H new ATOM 358 N LEU A 23 3.208 -4.633 -4.721 1.00 73.52 N ATOM 359 CA LEU A 23 2.907 -3.376 -4.031 1.00 63.41 C ATOM 360 C LEU A 23 3.965 -3.058 -2.987 1.00 52.14 C ATOM 361 O LEU A 23 4.427 -1.931 -2.903 1.00 63.05 O ATOM 362 CB LEU A 23 1.531 -3.437 -3.356 1.00 51.41 C ATOM 363 CG LEU A 23 0.493 -2.431 -3.878 1.00 25.53 C ATOM 364 CD1 LEU A 23 1.028 -1.010 -3.794 1.00 12.23 C ATOM 365 CD2 LEU A 23 0.079 -2.755 -5.306 1.00 14.21 C ATOM 0 H LEU A 23 2.493 -5.352 -4.605 1.00 73.52 H new ATOM 0 HA LEU A 23 2.902 -2.587 -4.783 1.00 63.41 H new ATOM 0 HB2 LEU A 23 1.130 -4.443 -3.479 1.00 51.41 H new ATOM 0 HB3 LEU A 23 1.663 -3.274 -2.286 1.00 51.41 H new ATOM 0 HG LEU A 23 -0.389 -2.509 -3.243 1.00 25.53 H new ATOM 0 HD11 LEU A 23 0.276 -0.315 -4.169 1.00 12.23 H new ATOM 0 HD12 LEU A 23 1.259 -0.769 -2.756 1.00 12.23 H new ATOM 0 HD13 LEU A 23 1.932 -0.926 -4.396 1.00 12.23 H new ATOM 0 HD21 LEU A 23 -0.656 -2.025 -5.646 1.00 14.21 H new ATOM 0 HD22 LEU A 23 0.954 -2.719 -5.955 1.00 14.21 H new ATOM 0 HD23 LEU A 23 -0.358 -3.753 -5.341 1.00 14.21 H new ATOM 377 N MET A 24 4.363 -4.071 -2.220 1.00 45.24 N ATOM 378 CA MET A 24 5.402 -3.918 -1.208 1.00 34.24 C ATOM 379 C MET A 24 6.764 -3.680 -1.854 1.00 12.52 C ATOM 380 O MET A 24 7.524 -2.860 -1.372 1.00 33.34 O ATOM 381 CB MET A 24 5.461 -5.133 -0.278 1.00 31.30 C ATOM 382 CG MET A 24 4.289 -5.228 0.678 1.00 2.45 C ATOM 383 SD MET A 24 4.471 -6.555 1.881 1.00 40.05 S ATOM 384 CE MET A 24 3.125 -6.172 3.001 1.00 23.13 C ATOM 0 H MET A 24 3.977 -5.013 -2.283 1.00 45.24 H new ATOM 0 HA MET A 24 5.145 -3.045 -0.608 1.00 34.24 H new ATOM 0 HB2 MET A 24 5.500 -6.040 -0.882 1.00 31.30 H new ATOM 0 HB3 MET A 24 6.386 -5.094 0.298 1.00 31.30 H new ATOM 0 HG2 MET A 24 4.178 -4.280 1.204 1.00 2.45 H new ATOM 0 HG3 MET A 24 3.373 -5.385 0.108 1.00 2.45 H new ATOM 0 HE1 MET A 24 3.113 -6.895 3.816 1.00 23.13 H new ATOM 0 HE2 MET A 24 3.263 -5.170 3.407 1.00 23.13 H new ATOM 0 HE3 MET A 24 2.179 -6.217 2.462 1.00 23.13 H new ATOM 394 N GLU A 25 7.039 -4.367 -2.969 1.00 30.54 N ATOM 395 CA GLU A 25 8.302 -4.216 -3.702 1.00 3.14 C ATOM 396 C GLU A 25 8.483 -2.801 -4.255 1.00 61.30 C ATOM 397 O GLU A 25 9.555 -2.224 -4.120 1.00 1.32 O ATOM 398 CB GLU A 25 8.370 -5.222 -4.851 1.00 11.01 C ATOM 399 CG GLU A 25 8.413 -6.675 -4.410 1.00 65.24 C ATOM 400 CD GLU A 25 9.703 -7.045 -3.716 1.00 73.11 C ATOM 401 OE1 GLU A 25 9.808 -6.861 -2.490 1.00 73.43 O ATOM 402 OE2 GLU A 25 10.628 -7.522 -4.399 1.00 54.35 O ATOM 0 H GLU A 25 6.396 -5.040 -3.387 1.00 30.54 H new ATOM 0 HA GLU A 25 9.108 -4.405 -2.993 1.00 3.14 H new ATOM 0 HB2 GLU A 25 7.504 -5.076 -5.497 1.00 11.01 H new ATOM 0 HB3 GLU A 25 9.255 -5.011 -5.451 1.00 11.01 H new ATOM 0 HG2 GLU A 25 7.577 -6.870 -3.738 1.00 65.24 H new ATOM 0 HG3 GLU A 25 8.278 -7.317 -5.281 1.00 65.24 H new ATOM 409 N ASN A 26 7.419 -2.255 -4.855 1.00 1.22 N ATOM 410 CA ASN A 26 7.442 -0.908 -5.441 1.00 60.12 C ATOM 411 C ASN A 26 7.534 0.154 -4.344 1.00 10.32 C ATOM 412 O ASN A 26 8.312 1.091 -4.460 1.00 44.33 O ATOM 413 CB ASN A 26 6.178 -0.676 -6.288 1.00 41.41 C ATOM 414 CG ASN A 26 6.302 0.456 -7.312 1.00 34.02 C ATOM 415 OD1 ASN A 26 5.516 0.385 -8.373 1.00 2.01 O flip ATOM 416 ND2 ASN A 26 7.072 1.398 -7.151 1.00 33.45 N flip ATOM 0 H ASN A 26 6.522 -2.731 -4.948 1.00 1.22 H new ATOM 0 HA ASN A 26 8.321 -0.827 -6.081 1.00 60.12 H new ATOM 0 HB2 ASN A 26 5.933 -1.599 -6.813 1.00 41.41 H new ATOM 0 HB3 ASN A 26 5.344 -0.457 -5.621 1.00 41.41 H new ATOM 0 HD21 ASN A 26 7.670 1.433 -6.325 1.00 33.45 H new ATOM 0 HD22 ASN A 26 7.114 2.146 -7.843 1.00 33.45 H new ATOM 423 N ILE A 27 6.752 -0.023 -3.269 1.00 1.24 N ATOM 424 CA ILE A 27 6.736 0.920 -2.146 1.00 71.24 C ATOM 425 C ILE A 27 8.093 0.982 -1.428 1.00 62.20 C ATOM 426 O ILE A 27 8.615 2.071 -1.235 1.00 5.31 O ATOM 427 CB ILE A 27 5.564 0.605 -1.151 1.00 5.13 C ATOM 428 CG1 ILE A 27 4.239 1.104 -1.757 1.00 53.51 C ATOM 429 CG2 ILE A 27 5.790 1.219 0.235 1.00 64.04 C ATOM 430 CD1 ILE A 27 2.999 0.802 -0.934 1.00 53.40 C ATOM 0 H ILE A 27 6.120 -0.816 -3.156 1.00 1.24 H new ATOM 0 HA ILE A 27 6.554 1.912 -2.560 1.00 71.24 H new ATOM 0 HB ILE A 27 5.524 -0.475 -1.007 1.00 5.13 H new ATOM 0 HG12 ILE A 27 4.307 2.182 -1.901 1.00 53.51 H new ATOM 0 HG13 ILE A 27 4.118 0.658 -2.744 1.00 53.51 H new ATOM 0 HG21 ILE A 27 4.950 0.971 0.884 1.00 64.04 H new ATOM 0 HG22 ILE A 27 6.710 0.821 0.664 1.00 64.04 H new ATOM 0 HG23 ILE A 27 5.871 2.302 0.144 1.00 64.04 H new ATOM 0 HD11 ILE A 27 2.119 1.193 -1.445 1.00 53.40 H new ATOM 0 HD12 ILE A 27 2.898 -0.276 -0.811 1.00 53.40 H new ATOM 0 HD13 ILE A 27 3.089 1.272 0.045 1.00 53.40 H new ATOM 442 N ASN A 28 8.681 -0.177 -1.097 1.00 42.40 N ATOM 443 CA ASN A 28 9.949 -0.219 -0.349 1.00 22.35 C ATOM 444 C ASN A 28 11.142 0.246 -1.184 1.00 61.43 C ATOM 445 O ASN A 28 12.091 0.820 -0.638 1.00 73.21 O ATOM 446 CB ASN A 28 10.230 -1.607 0.233 1.00 43.24 C ATOM 447 CG ASN A 28 9.440 -1.877 1.503 1.00 33.33 C ATOM 448 OD1 ASN A 28 9.853 -1.497 2.594 1.00 1.13 O ATOM 449 ND2 ASN A 28 8.319 -2.563 1.373 1.00 11.12 N ATOM 0 H ASN A 28 8.302 -1.094 -1.333 1.00 42.40 H new ATOM 0 HA ASN A 28 9.823 0.483 0.475 1.00 22.35 H new ATOM 0 HB2 ASN A 28 9.986 -2.365 -0.511 1.00 43.24 H new ATOM 0 HB3 ASN A 28 11.295 -1.700 0.445 1.00 43.24 H new ATOM 0 HD21 ASN A 28 7.764 -2.794 2.197 1.00 11.12 H new ATOM 0 HD22 ASN A 28 8.008 -2.862 0.449 1.00 11.12 H new ATOM 456 N ALA A 29 11.084 0.026 -2.499 1.00 44.21 N ATOM 457 CA ALA A 29 12.125 0.510 -3.407 1.00 23.53 C ATOM 458 C ALA A 29 12.034 2.022 -3.587 1.00 61.24 C ATOM 459 O ALA A 29 13.055 2.694 -3.705 1.00 31.31 O ATOM 460 CB ALA A 29 12.026 -0.179 -4.760 1.00 12.33 C ATOM 0 H ALA A 29 10.329 -0.483 -2.958 1.00 44.21 H new ATOM 0 HA ALA A 29 13.090 0.270 -2.960 1.00 23.53 H new ATOM 0 HB1 ALA A 29 12.810 0.197 -5.418 1.00 12.33 H new ATOM 0 HB2 ALA A 29 12.146 -1.255 -4.630 1.00 12.33 H new ATOM 0 HB3 ALA A 29 11.051 0.027 -5.203 1.00 12.33 H new ATOM 466 N ALA A 30 10.815 2.551 -3.557 1.00 32.23 N ATOM 467 CA ALA A 30 10.583 3.968 -3.787 1.00 31.00 C ATOM 468 C ALA A 30 10.488 4.773 -2.486 1.00 45.10 C ATOM 469 O ALA A 30 10.176 5.951 -2.538 1.00 51.24 O ATOM 470 CB ALA A 30 9.328 4.175 -4.625 1.00 5.03 C ATOM 0 H ALA A 30 9.968 2.013 -3.374 1.00 32.23 H new ATOM 0 HA ALA A 30 11.450 4.342 -4.332 1.00 31.00 H new ATOM 0 HB1 ALA A 30 9.170 5.241 -4.787 1.00 5.03 H new ATOM 0 HB2 ALA A 30 9.446 3.676 -5.587 1.00 5.03 H new ATOM 0 HB3 ALA A 30 8.468 3.756 -4.102 1.00 5.03 H new ATOM 476 N LEU A 31 10.778 4.139 -1.333 1.00 2.31 N ATOM 477 CA LEU A 31 10.763 4.819 -0.017 1.00 22.35 C ATOM 478 C LEU A 31 11.770 5.991 0.097 1.00 64.02 C ATOM 479 O LEU A 31 11.379 7.043 0.612 1.00 14.35 O ATOM 480 CB LEU A 31 10.979 3.836 1.147 1.00 60.24 C ATOM 481 CG LEU A 31 9.785 2.952 1.516 1.00 23.15 C ATOM 482 CD1 LEU A 31 10.169 1.988 2.613 1.00 64.33 C ATOM 483 CD2 LEU A 31 8.597 3.790 1.956 1.00 22.15 C ATOM 0 H LEU A 31 11.027 3.151 -1.284 1.00 2.31 H new ATOM 0 HA LEU A 31 9.763 5.246 0.056 1.00 22.35 H new ATOM 0 HB2 LEU A 31 11.820 3.189 0.897 1.00 60.24 H new ATOM 0 HB3 LEU A 31 11.267 4.408 2.029 1.00 60.24 H new ATOM 0 HG LEU A 31 9.496 2.390 0.628 1.00 23.15 H new ATOM 0 HD11 LEU A 31 9.311 1.365 2.867 1.00 64.33 H new ATOM 0 HD12 LEU A 31 10.989 1.356 2.271 1.00 64.33 H new ATOM 0 HD13 LEU A 31 10.485 2.547 3.494 1.00 64.33 H new ATOM 0 HD21 LEU A 31 7.764 3.135 2.212 1.00 22.15 H new ATOM 0 HD22 LEU A 31 8.873 4.383 2.828 1.00 22.15 H new ATOM 0 HD23 LEU A 31 8.300 4.454 1.145 1.00 22.15 H new ATOM 495 N PRO A 32 13.073 5.869 -0.362 1.00 71.40 N ATOM 496 CA PRO A 32 14.013 7.017 -0.376 1.00 21.54 C ATOM 497 C PRO A 32 13.612 8.152 -1.333 1.00 55.11 C ATOM 498 O PRO A 32 14.063 9.284 -1.176 1.00 43.30 O ATOM 499 CB PRO A 32 15.346 6.401 -0.831 1.00 71.11 C ATOM 500 CG PRO A 32 15.206 4.947 -0.572 1.00 72.12 C ATOM 501 CD PRO A 32 13.766 4.635 -0.813 1.00 10.12 C ATOM 0 HA PRO A 32 14.042 7.489 0.606 1.00 21.54 H new ATOM 0 HB2 PRO A 32 15.531 6.598 -1.887 1.00 71.11 H new ATOM 0 HB3 PRO A 32 16.185 6.822 -0.276 1.00 71.11 H new ATOM 0 HG2 PRO A 32 15.849 4.367 -1.234 1.00 72.12 H new ATOM 0 HG3 PRO A 32 15.495 4.701 0.450 1.00 72.12 H new ATOM 0 HD2 PRO A 32 13.570 4.424 -1.864 1.00 10.12 H new ATOM 0 HD3 PRO A 32 13.443 3.761 -0.247 1.00 10.12 H new ATOM 509 N PHE A 33 12.751 7.853 -2.308 1.00 42.13 N ATOM 510 CA PHE A 33 12.320 8.848 -3.294 1.00 23.23 C ATOM 511 C PHE A 33 10.982 9.457 -2.885 1.00 65.41 C ATOM 512 O PHE A 33 10.536 10.444 -3.469 1.00 40.13 O ATOM 513 CB PHE A 33 12.160 8.209 -4.680 1.00 11.11 C ATOM 514 CG PHE A 33 13.278 7.286 -5.077 1.00 43.41 C ATOM 515 CD1 PHE A 33 14.569 7.755 -5.248 1.00 12.12 C ATOM 516 CD2 PHE A 33 13.027 5.944 -5.279 1.00 74.23 C ATOM 517 CE1 PHE A 33 15.585 6.899 -5.612 1.00 34.11 C ATOM 518 CE2 PHE A 33 14.040 5.083 -5.644 1.00 3.24 C ATOM 519 CZ PHE A 33 15.322 5.560 -5.813 1.00 33.41 C ATOM 0 H PHE A 33 12.338 6.929 -2.436 1.00 42.13 H new ATOM 0 HA PHE A 33 13.085 9.623 -3.336 1.00 23.23 H new ATOM 0 HB2 PHE A 33 11.222 7.654 -4.703 1.00 11.11 H new ATOM 0 HB3 PHE A 33 12.080 9.002 -5.424 1.00 11.11 H new ATOM 0 HD1 PHE A 33 14.782 8.803 -5.094 1.00 12.12 H new ATOM 0 HD2 PHE A 33 12.025 5.564 -5.150 1.00 74.23 H new ATOM 0 HE1 PHE A 33 16.589 7.277 -5.740 1.00 34.11 H new ATOM 0 HE2 PHE A 33 13.829 4.035 -5.797 1.00 3.24 H new ATOM 0 HZ PHE A 33 16.117 4.888 -6.102 1.00 33.41 H new ATOM 529 N MET A 34 10.354 8.857 -1.880 1.00 53.13 N ATOM 530 CA MET A 34 8.993 9.190 -1.490 1.00 53.02 C ATOM 531 C MET A 34 8.983 10.358 -0.514 1.00 12.24 C ATOM 532 O MET A 34 9.877 10.469 0.327 1.00 4.54 O ATOM 533 CB MET A 34 8.356 7.964 -0.835 1.00 63.43 C ATOM 534 CG MET A 34 6.859 7.859 -1.031 1.00 72.01 C ATOM 535 SD MET A 34 6.151 6.383 -0.266 1.00 2.32 S ATOM 536 CE MET A 34 6.933 5.068 -1.197 1.00 70.13 C ATOM 0 H MET A 34 10.778 8.123 -1.312 1.00 53.13 H new ATOM 0 HA MET A 34 8.427 9.481 -2.375 1.00 53.02 H new ATOM 0 HB2 MET A 34 8.827 7.067 -1.236 1.00 63.43 H new ATOM 0 HB3 MET A 34 8.570 7.985 0.234 1.00 63.43 H new ATOM 0 HG2 MET A 34 6.380 8.744 -0.613 1.00 72.01 H new ATOM 0 HG3 MET A 34 6.637 7.851 -2.098 1.00 72.01 H new ATOM 0 HE1 MET A 34 6.391 4.136 -1.036 1.00 70.13 H new ATOM 0 HE2 MET A 34 6.920 5.316 -2.258 1.00 70.13 H new ATOM 0 HE3 MET A 34 7.964 4.950 -0.864 1.00 70.13 H new ATOM 546 N ASP A 35 7.976 11.222 -0.646 1.00 2.01 N ATOM 547 CA ASP A 35 7.732 12.316 0.306 1.00 45.44 C ATOM 548 C ASP A 35 7.451 11.733 1.687 1.00 45.33 C ATOM 549 O ASP A 35 6.831 10.687 1.770 1.00 30.44 O ATOM 550 CB ASP A 35 6.528 13.144 -0.165 1.00 3.10 C ATOM 551 CG ASP A 35 6.312 14.423 0.629 1.00 4.22 C ATOM 552 OD1 ASP A 35 5.633 14.377 1.676 1.00 53.45 O ATOM 553 OD2 ASP A 35 6.801 15.485 0.200 1.00 45.24 O ATOM 0 H ASP A 35 7.305 11.187 -1.413 1.00 2.01 H new ATOM 0 HA ASP A 35 8.611 12.959 0.359 1.00 45.44 H new ATOM 0 HB2 ASP A 35 6.663 13.399 -1.216 1.00 3.10 H new ATOM 0 HB3 ASP A 35 5.629 12.531 -0.099 1.00 3.10 H new ATOM 558 N GLU A 36 7.883 12.421 2.748 1.00 44.15 N ATOM 559 CA GLU A 36 7.806 11.900 4.124 1.00 23.03 C ATOM 560 C GLU A 36 6.373 11.587 4.593 1.00 60.03 C ATOM 561 O GLU A 36 6.176 10.668 5.379 1.00 11.42 O ATOM 562 CB GLU A 36 8.466 12.869 5.107 1.00 35.25 C ATOM 563 CG GLU A 36 7.821 14.247 5.174 1.00 2.02 C ATOM 564 CD GLU A 36 8.426 15.109 6.256 1.00 60.13 C ATOM 565 OE1 GLU A 36 8.451 14.672 7.426 1.00 72.44 O ATOM 566 OE2 GLU A 36 8.883 16.224 5.947 1.00 33.21 O ATOM 0 H GLU A 36 8.295 13.352 2.682 1.00 44.15 H new ATOM 0 HA GLU A 36 8.346 10.953 4.108 1.00 23.03 H new ATOM 0 HB2 GLU A 36 8.446 12.425 6.102 1.00 35.25 H new ATOM 0 HB3 GLU A 36 9.514 12.987 4.831 1.00 35.25 H new ATOM 0 HG2 GLU A 36 7.932 14.745 4.211 1.00 2.02 H new ATOM 0 HG3 GLU A 36 6.752 14.137 5.355 1.00 2.02 H new ATOM 573 N ASP A 37 5.391 12.333 4.080 1.00 42.32 N ATOM 574 CA ASP A 37 3.983 12.127 4.418 1.00 14.24 C ATOM 575 C ASP A 37 3.468 10.822 3.814 1.00 63.34 C ATOM 576 O ASP A 37 2.814 10.024 4.489 1.00 64.31 O ATOM 577 CB ASP A 37 3.157 13.316 3.915 1.00 50.31 C ATOM 578 CG ASP A 37 1.668 13.164 4.157 1.00 43.42 C ATOM 579 OD1 ASP A 37 1.243 13.139 5.333 1.00 43.34 O ATOM 580 OD2 ASP A 37 0.913 13.097 3.170 1.00 63.33 O ATOM 0 H ASP A 37 5.550 13.095 3.420 1.00 42.32 H new ATOM 0 HA ASP A 37 3.885 12.056 5.501 1.00 14.24 H new ATOM 0 HB2 ASP A 37 3.506 14.224 4.406 1.00 50.31 H new ATOM 0 HB3 ASP A 37 3.332 13.444 2.847 1.00 50.31 H new ATOM 585 N MET A 38 3.822 10.606 2.549 1.00 51.24 N ATOM 586 CA MET A 38 3.435 9.409 1.812 1.00 14.35 C ATOM 587 C MET A 38 4.250 8.182 2.269 1.00 72.20 C ATOM 588 O MET A 38 3.752 7.071 2.240 1.00 3.13 O ATOM 589 CB MET A 38 3.615 9.653 0.301 1.00 24.32 C ATOM 590 CG MET A 38 3.101 8.521 -0.576 1.00 3.12 C ATOM 591 SD MET A 38 3.338 8.812 -2.339 1.00 11.01 S ATOM 592 CE MET A 38 2.110 10.076 -2.642 1.00 35.11 C ATOM 0 H MET A 38 4.387 11.259 2.006 1.00 51.24 H new ATOM 0 HA MET A 38 2.386 9.197 2.018 1.00 14.35 H new ATOM 0 HB2 MET A 38 3.098 10.573 0.028 1.00 24.32 H new ATOM 0 HB3 MET A 38 4.674 9.808 0.092 1.00 24.32 H new ATOM 0 HG2 MET A 38 3.608 7.597 -0.297 1.00 3.12 H new ATOM 0 HG3 MET A 38 2.039 8.374 -0.380 1.00 3.12 H new ATOM 0 HE1 MET A 38 2.009 10.235 -3.716 1.00 35.11 H new ATOM 0 HE2 MET A 38 1.152 9.758 -2.231 1.00 35.11 H new ATOM 0 HE3 MET A 38 2.420 11.006 -2.165 1.00 35.11 H new ATOM 602 N ARG A 39 5.491 8.415 2.723 1.00 10.41 N ATOM 603 CA ARG A 39 6.409 7.355 3.177 1.00 50.15 C ATOM 604 C ARG A 39 5.936 6.718 4.489 1.00 52.53 C ATOM 605 O ARG A 39 5.961 5.491 4.642 1.00 73.45 O ATOM 606 CB ARG A 39 7.823 7.938 3.365 1.00 13.43 C ATOM 607 CG ARG A 39 8.846 6.940 3.891 1.00 11.31 C ATOM 608 CD ARG A 39 10.094 7.631 4.407 1.00 4.33 C ATOM 609 NE ARG A 39 10.946 6.713 5.168 1.00 13.01 N ATOM 610 CZ ARG A 39 11.415 6.958 6.398 1.00 65.24 C ATOM 611 NH1 ARG A 39 11.186 8.127 6.995 1.00 73.15 N ATOM 612 NH2 ARG A 39 12.128 6.031 7.022 1.00 2.12 N ATOM 0 H ARG A 39 5.890 9.351 2.786 1.00 10.41 H new ATOM 0 HA ARG A 39 6.425 6.577 2.413 1.00 50.15 H new ATOM 0 HB2 ARG A 39 8.172 8.329 2.410 1.00 13.43 H new ATOM 0 HB3 ARG A 39 7.767 8.781 4.054 1.00 13.43 H new ATOM 0 HG2 ARG A 39 8.400 6.350 4.692 1.00 11.31 H new ATOM 0 HG3 ARG A 39 9.118 6.245 3.096 1.00 11.31 H new ATOM 0 HD2 ARG A 39 10.657 8.039 3.568 1.00 4.33 H new ATOM 0 HD3 ARG A 39 9.809 8.472 5.039 1.00 4.33 H new ATOM 0 HE ARG A 39 11.199 5.827 4.731 1.00 13.01 H new ATOM 0 HH11 ARG A 39 10.648 8.848 6.515 1.00 73.15 H new ATOM 0 HH12 ARG A 39 11.549 8.301 7.932 1.00 73.15 H new ATOM 0 HH21 ARG A 39 12.316 5.139 6.565 1.00 2.12 H new ATOM 0 HH22 ARG A 39 12.489 6.210 7.959 1.00 2.12 H new ATOM 626 N GLU A 40 5.524 7.559 5.440 1.00 2.32 N ATOM 627 CA GLU A 40 5.024 7.091 6.730 1.00 11.34 C ATOM 628 C GLU A 40 3.666 6.422 6.583 1.00 30.24 C ATOM 629 O GLU A 40 3.365 5.459 7.289 1.00 72.25 O ATOM 630 CB GLU A 40 4.938 8.247 7.720 1.00 73.35 C ATOM 631 CG GLU A 40 6.288 8.846 8.062 1.00 25.11 C ATOM 632 CD GLU A 40 6.178 9.979 9.052 1.00 72.43 C ATOM 633 OE1 GLU A 40 5.891 11.109 8.634 1.00 13.31 O ATOM 634 OE2 GLU A 40 6.368 9.738 10.258 1.00 34.24 O ATOM 0 H GLU A 40 5.528 8.574 5.338 1.00 2.32 H new ATOM 0 HA GLU A 40 5.727 6.351 7.113 1.00 11.34 H new ATOM 0 HB2 GLU A 40 4.298 9.025 7.304 1.00 73.35 H new ATOM 0 HB3 GLU A 40 4.461 7.897 8.636 1.00 73.35 H new ATOM 0 HG2 GLU A 40 6.934 8.070 8.472 1.00 25.11 H new ATOM 0 HG3 GLU A 40 6.764 9.208 7.151 1.00 25.11 H new ATOM 641 N LEU A 41 2.871 6.920 5.632 1.00 61.24 N ATOM 642 CA LEU A 41 1.576 6.339 5.305 1.00 72.44 C ATOM 643 C LEU A 41 1.755 4.962 4.666 1.00 15.35 C ATOM 644 O LEU A 41 1.035 4.037 5.005 1.00 71.20 O ATOM 645 CB LEU A 41 0.813 7.269 4.354 1.00 53.55 C ATOM 646 CG LEU A 41 -0.629 6.862 4.034 1.00 13.33 C ATOM 647 CD1 LEU A 41 -1.516 6.968 5.267 1.00 41.52 C ATOM 648 CD2 LEU A 41 -1.180 7.712 2.900 1.00 65.55 C ATOM 0 H LEU A 41 3.111 7.737 5.070 1.00 61.24 H new ATOM 0 HA LEU A 41 1.002 6.221 6.224 1.00 72.44 H new ATOM 0 HB2 LEU A 41 0.800 8.269 4.787 1.00 53.55 H new ATOM 0 HB3 LEU A 41 1.368 7.334 3.418 1.00 53.55 H new ATOM 0 HG LEU A 41 -0.625 5.819 3.716 1.00 13.33 H new ATOM 0 HD11 LEU A 41 -2.533 6.673 5.010 1.00 41.52 H new ATOM 0 HD12 LEU A 41 -1.134 6.310 6.048 1.00 41.52 H new ATOM 0 HD13 LEU A 41 -1.517 7.997 5.627 1.00 41.52 H new ATOM 0 HD21 LEU A 41 -2.205 7.411 2.684 1.00 65.55 H new ATOM 0 HD22 LEU A 41 -1.164 8.762 3.192 1.00 65.55 H new ATOM 0 HD23 LEU A 41 -0.566 7.573 2.010 1.00 65.55 H new ATOM 660 N ALA A 42 2.767 4.844 3.796 1.00 14.31 N ATOM 661 CA ALA A 42 3.050 3.626 3.031 1.00 60.12 C ATOM 662 C ALA A 42 3.361 2.429 3.910 1.00 12.34 C ATOM 663 O ALA A 42 2.821 1.359 3.680 1.00 14.50 O ATOM 664 CB ALA A 42 4.194 3.869 2.066 1.00 34.03 C ATOM 0 H ALA A 42 3.420 5.603 3.602 1.00 14.31 H new ATOM 0 HA ALA A 42 2.141 3.386 2.480 1.00 60.12 H new ATOM 0 HB1 ALA A 42 4.395 2.957 1.503 1.00 34.03 H new ATOM 0 HB2 ALA A 42 3.925 4.669 1.376 1.00 34.03 H new ATOM 0 HB3 ALA A 42 5.086 4.155 2.624 1.00 34.03 H new ATOM 670 N LYS A 43 4.200 2.626 4.929 1.00 63.11 N ATOM 671 CA LYS A 43 4.569 1.554 5.861 1.00 32.21 C ATOM 672 C LYS A 43 3.378 1.091 6.708 1.00 1.53 C ATOM 673 O LYS A 43 3.302 -0.080 7.082 1.00 70.50 O ATOM 674 CB LYS A 43 5.707 2.001 6.777 1.00 32.12 C ATOM 675 CG LYS A 43 7.061 2.088 6.088 1.00 55.44 C ATOM 676 CD LYS A 43 8.143 2.514 7.063 1.00 45.11 C ATOM 677 CE LYS A 43 9.530 2.461 6.446 1.00 50.31 C ATOM 678 NZ LYS A 43 9.999 1.066 6.254 1.00 61.10 N ATOM 0 H LYS A 43 4.640 3.523 5.132 1.00 63.11 H new ATOM 0 HA LYS A 43 4.901 0.710 5.256 1.00 32.21 H new ATOM 0 HB2 LYS A 43 5.461 2.977 7.195 1.00 32.12 H new ATOM 0 HB3 LYS A 43 5.781 1.306 7.613 1.00 32.12 H new ATOM 0 HG2 LYS A 43 7.316 1.120 5.657 1.00 55.44 H new ATOM 0 HG3 LYS A 43 7.008 2.800 5.264 1.00 55.44 H new ATOM 0 HD2 LYS A 43 7.940 3.528 7.407 1.00 45.11 H new ATOM 0 HD3 LYS A 43 8.113 1.868 7.940 1.00 45.11 H new ATOM 0 HE2 LYS A 43 9.520 2.976 5.485 1.00 50.31 H new ATOM 0 HE3 LYS A 43 10.232 2.995 7.086 1.00 50.31 H new ATOM 0 HZ1 LYS A 43 10.991 1.073 5.943 1.00 61.10 H new ATOM 0 HZ2 LYS A 43 9.921 0.547 7.152 1.00 61.10 H new ATOM 0 HZ3 LYS A 43 9.413 0.599 5.532 1.00 61.10 H new ATOM 692 N ARG A 44 2.443 2.007 6.980 1.00 45.32 N ATOM 693 CA ARG A 44 1.235 1.683 7.736 1.00 73.13 C ATOM 694 C ARG A 44 0.220 0.930 6.876 1.00 71.21 C ATOM 695 O ARG A 44 -0.479 0.050 7.375 1.00 40.42 O ATOM 696 CB ARG A 44 0.617 2.952 8.323 1.00 51.11 C ATOM 697 CG ARG A 44 1.388 3.489 9.515 1.00 72.25 C ATOM 698 CD ARG A 44 0.802 4.790 10.026 1.00 31.14 C ATOM 699 NE ARG A 44 1.115 5.920 9.152 1.00 4.44 N ATOM 700 CZ ARG A 44 0.304 6.954 8.921 1.00 23.43 C ATOM 701 NH1 ARG A 44 -0.924 6.977 9.423 1.00 71.51 N ATOM 702 NH2 ARG A 44 0.731 7.963 8.178 1.00 20.33 N ATOM 0 H ARG A 44 2.503 2.982 6.685 1.00 45.32 H new ATOM 0 HA ARG A 44 1.520 1.024 8.556 1.00 73.13 H new ATOM 0 HB2 ARG A 44 0.573 3.719 7.550 1.00 51.11 H new ATOM 0 HB3 ARG A 44 -0.410 2.744 8.625 1.00 51.11 H new ATOM 0 HG2 ARG A 44 1.382 2.749 10.315 1.00 72.25 H new ATOM 0 HG3 ARG A 44 2.429 3.645 9.234 1.00 72.25 H new ATOM 0 HD2 ARG A 44 -0.280 4.689 10.113 1.00 31.14 H new ATOM 0 HD3 ARG A 44 1.185 4.990 11.027 1.00 31.14 H new ATOM 0 HE ARG A 44 2.021 5.917 8.684 1.00 4.44 H new ATOM 0 HH11 ARG A 44 -1.257 6.199 9.992 1.00 71.51 H new ATOM 0 HH12 ARG A 44 -1.535 7.773 9.240 1.00 71.51 H new ATOM 0 HH21 ARG A 44 1.673 7.946 7.787 1.00 20.33 H new ATOM 0 HH22 ARG A 44 0.118 8.758 7.996 1.00 20.33 H new ATOM 716 N THR A 45 0.177 1.250 5.582 1.00 21.44 N ATOM 717 CA THR A 45 -0.668 0.537 4.621 1.00 22.10 C ATOM 718 C THR A 45 -0.111 -0.871 4.355 1.00 20.22 C ATOM 719 O THR A 45 -0.870 -1.812 4.110 1.00 4.13 O ATOM 720 CB THR A 45 -0.768 1.317 3.291 1.00 25.32 C ATOM 721 OG1 THR A 45 -1.031 2.691 3.553 1.00 61.52 O ATOM 722 CG2 THR A 45 -1.880 0.767 2.414 1.00 25.12 C ATOM 0 H THR A 45 0.724 2.007 5.171 1.00 21.44 H new ATOM 0 HA THR A 45 -1.665 0.451 5.052 1.00 22.10 H new ATOM 0 HB THR A 45 0.183 1.207 2.769 1.00 25.32 H new ATOM 0 HG1 THR A 45 -1.726 2.766 4.240 1.00 61.52 H new ATOM 0 HG21 THR A 45 -1.926 1.336 1.485 1.00 25.12 H new ATOM 0 HG22 THR A 45 -1.681 -0.281 2.188 1.00 25.12 H new ATOM 0 HG23 THR A 45 -2.832 0.851 2.938 1.00 25.12 H new ATOM 730 N LEU A 46 1.221 -1.010 4.435 1.00 14.43 N ATOM 731 CA LEU A 46 1.887 -2.308 4.325 1.00 4.04 C ATOM 732 C LEU A 46 1.586 -3.189 5.527 1.00 41.11 C ATOM 733 O LEU A 46 1.540 -4.398 5.396 1.00 52.33 O ATOM 734 CB LEU A 46 3.406 -2.170 4.182 1.00 55.43 C ATOM 735 CG LEU A 46 3.905 -1.392 2.965 1.00 31.55 C ATOM 736 CD1 LEU A 46 5.413 -1.456 2.910 1.00 64.24 C ATOM 737 CD2 LEU A 46 3.300 -1.909 1.672 1.00 74.44 C ATOM 0 H LEU A 46 1.860 -0.228 4.577 1.00 14.43 H new ATOM 0 HA LEU A 46 1.491 -2.773 3.422 1.00 4.04 H new ATOM 0 HB2 LEU A 46 3.791 -1.685 5.079 1.00 55.43 H new ATOM 0 HB3 LEU A 46 3.839 -3.170 4.149 1.00 55.43 H new ATOM 0 HG LEU A 46 3.587 -0.355 3.072 1.00 31.55 H new ATOM 0 HD11 LEU A 46 5.769 -0.901 2.042 1.00 64.24 H new ATOM 0 HD12 LEU A 46 5.829 -1.017 3.817 1.00 64.24 H new ATOM 0 HD13 LEU A 46 5.730 -2.496 2.831 1.00 64.24 H new ATOM 0 HD21 LEU A 46 3.682 -1.327 0.833 1.00 74.44 H new ATOM 0 HD22 LEU A 46 3.568 -2.957 1.539 1.00 74.44 H new ATOM 0 HD23 LEU A 46 2.215 -1.814 1.715 1.00 74.44 H new ATOM 749 N ALA A 47 1.364 -2.570 6.690 1.00 32.22 N ATOM 750 CA ALA A 47 0.969 -3.293 7.901 1.00 45.42 C ATOM 751 C ALA A 47 -0.488 -3.778 7.822 1.00 11.10 C ATOM 752 O ALA A 47 -0.888 -4.682 8.552 1.00 54.44 O ATOM 753 CB ALA A 47 1.172 -2.413 9.125 1.00 43.42 C ATOM 0 H ALA A 47 1.452 -1.562 6.818 1.00 32.22 H new ATOM 0 HA ALA A 47 1.604 -4.175 7.987 1.00 45.42 H new ATOM 0 HB1 ALA A 47 0.875 -2.960 10.020 1.00 43.42 H new ATOM 0 HB2 ALA A 47 2.223 -2.134 9.202 1.00 43.42 H new ATOM 0 HB3 ALA A 47 0.564 -1.513 9.031 1.00 43.42 H new ATOM 759 N LYS A 48 -1.268 -3.170 6.924 1.00 4.55 N ATOM 760 CA LYS A 48 -2.640 -3.584 6.665 1.00 12.34 C ATOM 761 C LYS A 48 -2.706 -4.736 5.658 1.00 62.11 C ATOM 762 O LYS A 48 -3.538 -5.629 5.800 1.00 21.23 O ATOM 763 CB LYS A 48 -3.472 -2.404 6.164 1.00 12.33 C ATOM 764 CG LYS A 48 -4.139 -1.605 7.268 1.00 54.32 C ATOM 765 CD LYS A 48 -3.729 -0.147 7.230 1.00 43.43 C ATOM 766 CE LYS A 48 -4.543 0.675 8.206 1.00 60.35 C ATOM 767 NZ LYS A 48 -4.065 2.076 8.286 1.00 12.43 N ATOM 0 H LYS A 48 -0.962 -2.378 6.359 1.00 4.55 H new ATOM 0 HA LYS A 48 -3.054 -3.939 7.608 1.00 12.34 H new ATOM 0 HB2 LYS A 48 -2.830 -1.739 5.586 1.00 12.33 H new ATOM 0 HB3 LYS A 48 -4.239 -2.776 5.485 1.00 12.33 H new ATOM 0 HG2 LYS A 48 -5.222 -1.681 7.169 1.00 54.32 H new ATOM 0 HG3 LYS A 48 -3.876 -2.032 8.236 1.00 54.32 H new ATOM 0 HD2 LYS A 48 -2.670 -0.058 7.470 1.00 43.43 H new ATOM 0 HD3 LYS A 48 -3.861 0.245 6.221 1.00 43.43 H new ATOM 0 HE2 LYS A 48 -5.590 0.666 7.903 1.00 60.35 H new ATOM 0 HE3 LYS A 48 -4.493 0.218 9.194 1.00 60.35 H new ATOM 0 HZ1 LYS A 48 -4.877 2.713 8.414 1.00 12.43 H new ATOM 0 HZ2 LYS A 48 -3.416 2.176 9.092 1.00 12.43 H new ATOM 0 HZ3 LYS A 48 -3.566 2.323 7.407 1.00 12.43 H new ATOM 781 N ILE A 49 -1.835 -4.732 4.644 1.00 41.34 N ATOM 782 CA ILE A 49 -1.839 -5.815 3.648 1.00 53.22 C ATOM 783 C ILE A 49 -0.927 -6.977 4.037 1.00 41.44 C ATOM 784 O ILE A 49 -0.950 -8.012 3.375 1.00 40.22 O ATOM 785 CB ILE A 49 -1.481 -5.355 2.212 1.00 61.12 C ATOM 786 CG1 ILE A 49 -0.189 -4.525 2.177 1.00 1.52 C ATOM 787 CG2 ILE A 49 -2.641 -4.589 1.609 1.00 53.50 C ATOM 788 CD1 ILE A 49 0.297 -4.177 0.780 1.00 43.33 C ATOM 0 H ILE A 49 -1.132 -4.009 4.490 1.00 41.34 H new ATOM 0 HA ILE A 49 -2.875 -6.154 3.642 1.00 53.22 H new ATOM 0 HB ILE A 49 -1.296 -6.245 1.611 1.00 61.12 H new ATOM 0 HG12 ILE A 49 -0.350 -3.601 2.733 1.00 1.52 H new ATOM 0 HG13 ILE A 49 0.596 -5.076 2.695 1.00 1.52 H new ATOM 0 HG21 ILE A 49 -2.381 -4.270 0.600 1.00 53.50 H new ATOM 0 HG22 ILE A 49 -3.521 -5.232 1.571 1.00 53.50 H new ATOM 0 HG23 ILE A 49 -2.857 -3.714 2.222 1.00 53.50 H new ATOM 0 HD11 ILE A 49 1.213 -3.591 0.849 1.00 43.33 H new ATOM 0 HD12 ILE A 49 0.494 -5.094 0.224 1.00 43.33 H new ATOM 0 HD13 ILE A 49 -0.467 -3.596 0.263 1.00 43.33 H new ATOM 800 N ALA A 50 -0.118 -6.788 5.092 1.00 54.45 N ATOM 801 CA ALA A 50 0.711 -7.858 5.672 1.00 3.44 C ATOM 802 C ALA A 50 -0.103 -9.089 6.132 1.00 21.44 C ATOM 803 O ALA A 50 0.270 -10.198 5.757 1.00 31.35 O ATOM 804 CB ALA A 50 1.580 -7.325 6.813 1.00 65.42 C ATOM 0 H ALA A 50 -0.020 -5.890 5.567 1.00 54.45 H new ATOM 0 HA ALA A 50 1.358 -8.204 4.866 1.00 3.44 H new ATOM 0 HB1 ALA A 50 2.181 -8.137 7.222 1.00 65.42 H new ATOM 0 HB2 ALA A 50 2.237 -6.542 6.435 1.00 65.42 H new ATOM 0 HB3 ALA A 50 0.942 -6.916 7.596 1.00 65.42 H new ATOM 810 N PRO A 51 -1.233 -8.959 6.922 1.00 2.52 N ATOM 811 CA PRO A 51 -2.054 -10.121 7.289 1.00 51.31 C ATOM 812 C PRO A 51 -2.964 -10.624 6.159 1.00 12.14 C ATOM 813 O PRO A 51 -3.634 -11.650 6.312 1.00 73.24 O ATOM 814 CB PRO A 51 -2.917 -9.634 8.463 1.00 41.01 C ATOM 815 CG PRO A 51 -2.430 -8.268 8.798 1.00 32.12 C ATOM 816 CD PRO A 51 -1.767 -7.739 7.571 1.00 3.30 C ATOM 0 HA PRO A 51 -1.409 -10.966 7.529 1.00 51.31 H new ATOM 0 HB2 PRO A 51 -3.972 -9.615 8.189 1.00 41.01 H new ATOM 0 HB3 PRO A 51 -2.822 -10.302 9.319 1.00 41.01 H new ATOM 0 HG2 PRO A 51 -3.257 -7.625 9.099 1.00 32.12 H new ATOM 0 HG3 PRO A 51 -1.730 -8.300 9.633 1.00 32.12 H new ATOM 0 HD2 PRO A 51 -2.473 -7.216 6.926 1.00 3.30 H new ATOM 0 HD3 PRO A 51 -0.974 -7.032 7.815 1.00 3.30 H new ATOM 824 N LEU A 52 -2.984 -9.910 5.033 1.00 42.35 N ATOM 825 CA LEU A 52 -3.772 -10.324 3.881 1.00 5.24 C ATOM 826 C LEU A 52 -2.944 -11.227 2.997 1.00 50.52 C ATOM 827 O LEU A 52 -1.729 -11.053 2.886 1.00 13.35 O ATOM 828 CB LEU A 52 -4.235 -9.135 3.028 1.00 53.41 C ATOM 829 CG LEU A 52 -5.091 -8.065 3.708 1.00 31.03 C ATOM 830 CD1 LEU A 52 -5.597 -7.099 2.653 1.00 53.42 C ATOM 831 CD2 LEU A 52 -6.257 -8.672 4.467 1.00 73.14 C ATOM 0 H LEU A 52 -2.463 -9.044 4.898 1.00 42.35 H new ATOM 0 HA LEU A 52 -4.650 -10.838 4.271 1.00 5.24 H new ATOM 0 HB2 LEU A 52 -3.349 -8.648 2.622 1.00 53.41 H new ATOM 0 HB3 LEU A 52 -4.799 -9.528 2.182 1.00 53.41 H new ATOM 0 HG LEU A 52 -4.474 -7.538 4.436 1.00 31.03 H new ATOM 0 HD11 LEU A 52 -6.209 -6.331 3.126 1.00 53.42 H new ATOM 0 HD12 LEU A 52 -4.750 -6.630 2.152 1.00 53.42 H new ATOM 0 HD13 LEU A 52 -6.196 -7.641 1.921 1.00 53.42 H new ATOM 0 HD21 LEU A 52 -6.839 -7.878 4.935 1.00 73.14 H new ATOM 0 HD22 LEU A 52 -6.891 -9.228 3.776 1.00 73.14 H new ATOM 0 HD23 LEU A 52 -5.879 -9.346 5.236 1.00 73.14 H new ATOM 843 N THR A 53 -3.604 -12.185 2.380 1.00 13.25 N ATOM 844 CA THR A 53 -2.971 -13.024 1.384 1.00 72.22 C ATOM 845 C THR A 53 -2.992 -12.316 0.015 1.00 41.33 C ATOM 846 O THR A 53 -3.733 -11.340 -0.187 1.00 61.20 O ATOM 847 CB THR A 53 -3.641 -14.436 1.324 1.00 63.24 C ATOM 848 OG1 THR A 53 -2.942 -15.302 0.420 1.00 44.44 O ATOM 849 CG2 THR A 53 -5.105 -14.368 0.916 1.00 15.21 C ATOM 0 H THR A 53 -4.585 -12.403 2.552 1.00 13.25 H new ATOM 0 HA THR A 53 -1.931 -13.185 1.666 1.00 72.22 H new ATOM 0 HB THR A 53 -3.586 -14.840 2.335 1.00 63.24 H new ATOM 0 HG1 THR A 53 -3.380 -16.179 0.402 1.00 44.44 H new ATOM 0 HG21 THR A 53 -5.523 -15.375 0.890 1.00 15.21 H new ATOM 0 HG22 THR A 53 -5.656 -13.765 1.638 1.00 15.21 H new ATOM 0 HG23 THR A 53 -5.187 -13.915 -0.072 1.00 15.21 H new ATOM 857 N GLU A 54 -2.152 -12.809 -0.892 1.00 42.34 N ATOM 858 CA GLU A 54 -2.006 -12.277 -2.247 1.00 73.21 C ATOM 859 C GLU A 54 -3.321 -12.384 -3.039 1.00 53.40 C ATOM 860 O GLU A 54 -3.707 -11.451 -3.749 1.00 4.32 O ATOM 861 CB GLU A 54 -0.881 -13.068 -2.948 1.00 3.14 C ATOM 862 CG GLU A 54 -0.602 -12.682 -4.394 1.00 13.00 C ATOM 863 CD GLU A 54 -0.200 -11.237 -4.550 1.00 23.22 C ATOM 864 OE1 GLU A 54 0.946 -10.893 -4.213 1.00 50.44 O ATOM 865 OE2 GLU A 54 -1.033 -10.439 -4.999 1.00 51.22 O ATOM 0 H GLU A 54 -1.542 -13.604 -0.703 1.00 42.34 H new ATOM 0 HA GLU A 54 -1.753 -11.218 -2.199 1.00 73.21 H new ATOM 0 HB2 GLU A 54 0.037 -12.942 -2.375 1.00 3.14 H new ATOM 0 HB3 GLU A 54 -1.134 -14.128 -2.917 1.00 3.14 H new ATOM 0 HG2 GLU A 54 0.190 -13.319 -4.788 1.00 13.00 H new ATOM 0 HG3 GLU A 54 -1.492 -12.873 -4.994 1.00 13.00 H new ATOM 872 N ASN A 55 -4.022 -13.507 -2.855 1.00 35.44 N ATOM 873 CA ASN A 55 -5.257 -13.804 -3.585 1.00 55.24 C ATOM 874 C ASN A 55 -6.408 -12.886 -3.176 1.00 11.12 C ATOM 875 O ASN A 55 -7.211 -12.495 -4.020 1.00 61.25 O ATOM 876 CB ASN A 55 -5.669 -15.269 -3.388 1.00 74.05 C ATOM 877 CG ASN A 55 -4.774 -16.263 -4.112 1.00 51.02 C ATOM 878 OD1 ASN A 55 -3.575 -16.048 -4.283 1.00 73.32 O ATOM 879 ND2 ASN A 55 -5.361 -17.361 -4.548 1.00 64.00 N ATOM 0 H ASN A 55 -3.749 -14.236 -2.195 1.00 35.44 H new ATOM 0 HA ASN A 55 -5.046 -13.626 -4.639 1.00 55.24 H new ATOM 0 HB2 ASN A 55 -5.662 -15.498 -2.322 1.00 74.05 H new ATOM 0 HB3 ASN A 55 -6.694 -15.398 -3.735 1.00 74.05 H new ATOM 0 HD21 ASN A 55 -4.818 -18.066 -5.046 1.00 64.00 H new ATOM 0 HD22 ASN A 55 -6.358 -17.505 -4.387 1.00 64.00 H new ATOM 886 N GLU A 56 -6.460 -12.521 -1.888 1.00 72.12 N ATOM 887 CA GLU A 56 -7.533 -11.674 -1.371 1.00 24.14 C ATOM 888 C GLU A 56 -7.328 -10.214 -1.784 1.00 1.15 C ATOM 889 O GLU A 56 -8.297 -9.506 -2.053 1.00 72.43 O ATOM 890 CB GLU A 56 -7.639 -11.796 0.155 1.00 42.35 C ATOM 891 CG GLU A 56 -8.799 -11.011 0.739 1.00 33.54 C ATOM 892 CD GLU A 56 -9.055 -11.309 2.190 1.00 63.53 C ATOM 893 OE1 GLU A 56 -8.323 -10.790 3.041 1.00 65.04 O ATOM 894 OE2 GLU A 56 -9.997 -12.063 2.486 1.00 62.33 O ATOM 0 H GLU A 56 -5.771 -12.800 -1.190 1.00 72.12 H new ATOM 0 HA GLU A 56 -8.471 -12.020 -1.806 1.00 24.14 H new ATOM 0 HB2 GLU A 56 -7.749 -12.847 0.422 1.00 42.35 H new ATOM 0 HB3 GLU A 56 -6.710 -11.448 0.606 1.00 42.35 H new ATOM 0 HG2 GLU A 56 -8.600 -9.945 0.625 1.00 33.54 H new ATOM 0 HG3 GLU A 56 -9.700 -11.230 0.167 1.00 33.54 H new ATOM 901 N TYR A 57 -6.067 -9.787 -1.877 1.00 41.53 N ATOM 902 CA TYR A 57 -5.748 -8.429 -2.311 1.00 41.41 C ATOM 903 C TYR A 57 -6.061 -8.239 -3.805 1.00 22.41 C ATOM 904 O TYR A 57 -6.435 -7.146 -4.226 1.00 64.55 O ATOM 905 CB TYR A 57 -4.278 -8.085 -2.015 1.00 33.31 C ATOM 906 CG TYR A 57 -3.910 -6.661 -2.386 1.00 2.35 C ATOM 907 CD1 TYR A 57 -4.272 -5.593 -1.580 1.00 25.53 C ATOM 908 CD2 TYR A 57 -3.226 -6.387 -3.563 1.00 52.41 C ATOM 909 CE1 TYR A 57 -3.965 -4.294 -1.939 1.00 2.41 C ATOM 910 CE2 TYR A 57 -2.911 -5.097 -3.922 1.00 71.41 C ATOM 911 CZ TYR A 57 -3.282 -4.056 -3.112 1.00 51.14 C ATOM 912 OH TYR A 57 -2.980 -2.773 -3.486 1.00 41.01 O ATOM 0 H TYR A 57 -5.253 -10.362 -1.658 1.00 41.53 H new ATOM 0 HA TYR A 57 -6.377 -7.743 -1.743 1.00 41.41 H new ATOM 0 HB2 TYR A 57 -4.082 -8.239 -0.954 1.00 33.31 H new ATOM 0 HB3 TYR A 57 -3.634 -8.774 -2.561 1.00 33.31 H new ATOM 0 HD1 TYR A 57 -4.802 -5.779 -0.657 1.00 25.53 H new ATOM 0 HD2 TYR A 57 -2.936 -7.202 -4.209 1.00 52.41 H new ATOM 0 HE1 TYR A 57 -4.258 -3.471 -1.304 1.00 2.41 H new ATOM 0 HE2 TYR A 57 -2.373 -4.905 -4.839 1.00 71.41 H new ATOM 0 HH TYR A 57 -2.496 -2.786 -4.338 1.00 41.01 H new ATOM 922 N ALA A 58 -5.940 -9.315 -4.588 1.00 74.50 N ATOM 923 CA ALA A 58 -6.259 -9.284 -6.019 1.00 72.21 C ATOM 924 C ALA A 58 -7.764 -9.129 -6.270 1.00 44.21 C ATOM 925 O ALA A 58 -8.173 -8.638 -7.323 1.00 21.22 O ATOM 926 CB ALA A 58 -5.741 -10.539 -6.690 1.00 60.24 C ATOM 0 H ALA A 58 -5.621 -10.224 -4.252 1.00 74.50 H new ATOM 0 HA ALA A 58 -5.767 -8.411 -6.449 1.00 72.21 H new ATOM 0 HB1 ALA A 58 -5.982 -10.509 -7.753 1.00 60.24 H new ATOM 0 HB2 ALA A 58 -4.660 -10.599 -6.564 1.00 60.24 H new ATOM 0 HB3 ALA A 58 -6.208 -11.413 -6.237 1.00 60.24 H new ATOM 932 N GLU A 59 -8.572 -9.538 -5.288 1.00 30.42 N ATOM 933 CA GLU A 59 -10.024 -9.368 -5.337 1.00 44.15 C ATOM 934 C GLU A 59 -10.424 -7.919 -5.049 1.00 35.53 C ATOM 935 O GLU A 59 -11.477 -7.456 -5.493 1.00 34.41 O ATOM 936 CB GLU A 59 -10.695 -10.283 -4.309 1.00 55.01 C ATOM 937 CG GLU A 59 -10.432 -11.766 -4.513 1.00 34.42 C ATOM 938 CD GLU A 59 -11.054 -12.296 -5.778 1.00 11.32 C ATOM 939 OE1 GLU A 59 -12.248 -12.649 -5.750 1.00 43.35 O ATOM 940 OE2 GLU A 59 -10.361 -12.362 -6.808 1.00 4.24 O ATOM 0 H GLU A 59 -8.238 -9.995 -4.440 1.00 30.42 H new ATOM 0 HA GLU A 59 -10.354 -9.630 -6.342 1.00 44.15 H new ATOM 0 HB2 GLU A 59 -10.353 -10.001 -3.313 1.00 55.01 H new ATOM 0 HB3 GLU A 59 -11.771 -10.111 -4.337 1.00 55.01 H new ATOM 0 HG2 GLU A 59 -9.356 -11.940 -4.541 1.00 34.42 H new ATOM 0 HG3 GLU A 59 -10.823 -12.321 -3.660 1.00 34.42 H new ATOM 947 N LEU A 60 -9.582 -7.223 -4.287 1.00 64.45 N ATOM 948 CA LEU A 60 -9.815 -5.832 -3.912 1.00 12.24 C ATOM 949 C LEU A 60 -9.392 -4.895 -5.030 1.00 61.20 C ATOM 950 O LEU A 60 -10.200 -4.088 -5.511 1.00 63.40 O ATOM 951 CB LEU A 60 -9.007 -5.479 -2.655 1.00 21.22 C ATOM 952 CG LEU A 60 -9.132 -6.446 -1.479 1.00 21.34 C ATOM 953 CD1 LEU A 60 -8.106 -6.105 -0.420 1.00 31.31 C ATOM 954 CD2 LEU A 60 -10.523 -6.401 -0.887 1.00 44.24 C ATOM 0 H LEU A 60 -8.716 -7.611 -3.912 1.00 64.45 H new ATOM 0 HA LEU A 60 -10.881 -5.714 -3.719 1.00 12.24 H new ATOM 0 HB2 LEU A 60 -7.955 -5.411 -2.932 1.00 21.22 H new ATOM 0 HB3 LEU A 60 -9.313 -4.489 -2.318 1.00 21.22 H new ATOM 0 HG LEU A 60 -8.950 -7.457 -1.845 1.00 21.34 H new ATOM 0 HD11 LEU A 60 -8.201 -6.799 0.415 1.00 31.31 H new ATOM 0 HD12 LEU A 60 -7.105 -6.183 -0.845 1.00 31.31 H new ATOM 0 HD13 LEU A 60 -8.272 -5.087 -0.067 1.00 31.31 H new ATOM 0 HD21 LEU A 60 -10.586 -7.098 -0.052 1.00 44.24 H new ATOM 0 HD22 LEU A 60 -10.736 -5.392 -0.534 1.00 44.24 H new ATOM 0 HD23 LEU A 60 -11.252 -6.680 -1.648 1.00 44.24 H new ATOM 966 N ALA A 61 -8.116 -5.049 -5.435 1.00 3.12 N ATOM 967 CA ALA A 61 -7.405 -4.120 -6.311 1.00 21.13 C ATOM 968 C ALA A 61 -7.451 -2.703 -5.728 1.00 62.24 C ATOM 969 O ALA A 61 -6.847 -2.456 -4.679 1.00 62.30 O ATOM 970 CB ALA A 61 -7.905 -4.193 -7.756 1.00 63.43 C ATOM 0 H ALA A 61 -7.545 -5.845 -5.151 1.00 3.12 H new ATOM 0 HA ALA A 61 -6.358 -4.419 -6.355 1.00 21.13 H new ATOM 0 HB1 ALA A 61 -7.348 -3.485 -8.370 1.00 63.43 H new ATOM 0 HB2 ALA A 61 -7.758 -5.202 -8.141 1.00 63.43 H new ATOM 0 HB3 ALA A 61 -8.966 -3.944 -7.787 1.00 63.43 H new ATOM 976 N ILE A 62 -8.193 -1.788 -6.363 1.00 41.14 N ATOM 977 CA ILE A 62 -8.386 -0.441 -5.834 1.00 63.41 C ATOM 978 C ILE A 62 -9.882 -0.191 -5.634 1.00 2.40 C ATOM 979 O ILE A 62 -10.631 -0.012 -6.596 1.00 0.22 O ATOM 980 CB ILE A 62 -7.770 0.659 -6.763 1.00 54.30 C ATOM 981 CG1 ILE A 62 -6.274 0.400 -7.030 1.00 54.22 C ATOM 982 CG2 ILE A 62 -7.961 2.061 -6.178 1.00 54.00 C ATOM 983 CD1 ILE A 62 -5.403 0.347 -5.784 1.00 51.43 C ATOM 0 H ILE A 62 -8.670 -1.961 -7.248 1.00 41.14 H new ATOM 0 HA ILE A 62 -7.863 -0.375 -4.880 1.00 63.41 H new ATOM 0 HB ILE A 62 -8.305 0.605 -7.711 1.00 54.30 H new ATOM 0 HG12 ILE A 62 -6.173 -0.543 -7.567 1.00 54.22 H new ATOM 0 HG13 ILE A 62 -5.896 1.183 -7.687 1.00 54.22 H new ATOM 0 HG21 ILE A 62 -7.521 2.798 -6.849 1.00 54.00 H new ATOM 0 HG22 ILE A 62 -9.025 2.265 -6.062 1.00 54.00 H new ATOM 0 HG23 ILE A 62 -7.473 2.119 -5.205 1.00 54.00 H new ATOM 0 HD11 ILE A 62 -4.368 0.161 -6.071 1.00 51.43 H new ATOM 0 HD12 ILE A 62 -5.467 1.298 -5.255 1.00 51.43 H new ATOM 0 HD13 ILE A 62 -5.749 -0.455 -5.132 1.00 51.43 H new ATOM 995 N PHE A 63 -10.314 -0.214 -4.378 1.00 52.32 N ATOM 996 CA PHE A 63 -11.714 0.044 -4.030 1.00 33.34 C ATOM 997 C PHE A 63 -11.934 1.498 -3.592 1.00 22.04 C ATOM 998 O PHE A 63 -12.903 1.807 -2.895 1.00 61.03 O ATOM 999 CB PHE A 63 -12.187 -0.906 -2.920 1.00 4.44 C ATOM 1000 CG PHE A 63 -12.657 -2.255 -3.398 1.00 43.10 C ATOM 1001 CD1 PHE A 63 -13.301 -2.403 -4.615 1.00 73.23 C ATOM 1002 CD2 PHE A 63 -12.477 -3.373 -2.607 1.00 51.21 C ATOM 1003 CE1 PHE A 63 -13.758 -3.638 -5.029 1.00 12.04 C ATOM 1004 CE2 PHE A 63 -12.930 -4.609 -3.017 1.00 0.42 C ATOM 1005 CZ PHE A 63 -13.567 -4.744 -4.231 1.00 54.22 C ATOM 0 H PHE A 63 -9.714 -0.410 -3.577 1.00 52.32 H new ATOM 0 HA PHE A 63 -12.302 -0.135 -4.930 1.00 33.34 H new ATOM 0 HB2 PHE A 63 -11.370 -1.051 -2.214 1.00 4.44 H new ATOM 0 HB3 PHE A 63 -12.999 -0.427 -2.373 1.00 4.44 H new ATOM 0 HD1 PHE A 63 -13.448 -1.541 -5.249 1.00 73.23 H new ATOM 0 HD2 PHE A 63 -11.975 -3.278 -1.655 1.00 51.21 H new ATOM 0 HE1 PHE A 63 -14.265 -3.737 -5.978 1.00 12.04 H new ATOM 0 HE2 PHE A 63 -12.785 -5.473 -2.385 1.00 0.42 H new ATOM 0 HZ PHE A 63 -13.915 -5.713 -4.556 1.00 54.22 H new ATOM 1015 N ALA A 64 -11.054 2.388 -4.040 1.00 3.43 N ATOM 1016 CA ALA A 64 -11.111 3.791 -3.661 1.00 14.10 C ATOM 1017 C ALA A 64 -10.576 4.665 -4.797 1.00 34.31 C ATOM 1018 O ALA A 64 -10.746 4.308 -5.966 1.00 1.44 O ATOM 1019 CB ALA A 64 -10.328 4.011 -2.373 1.00 44.22 C ATOM 0 H ALA A 64 -10.287 2.157 -4.672 1.00 3.43 H new ATOM 0 HA ALA A 64 -12.147 4.077 -3.480 1.00 14.10 H new ATOM 0 HB1 ALA A 64 -10.374 5.064 -2.094 1.00 44.22 H new ATOM 0 HB2 ALA A 64 -10.760 3.405 -1.576 1.00 44.22 H new ATOM 0 HB3 ALA A 64 -9.288 3.722 -2.525 1.00 44.22 H new ATOM 1025 N ALA A 65 -9.980 5.830 -4.428 1.00 32.33 N ATOM 1026 CA ALA A 65 -9.369 6.813 -5.356 1.00 2.31 C ATOM 1027 C ALA A 65 -10.421 7.592 -6.161 1.00 55.24 C ATOM 1028 O ALA A 65 -10.087 8.317 -7.099 1.00 13.33 O ATOM 1029 CB ALA A 65 -8.315 6.170 -6.272 1.00 52.50 C ATOM 0 H ALA A 65 -9.911 6.116 -3.452 1.00 32.33 H new ATOM 0 HA ALA A 65 -8.849 7.539 -4.731 1.00 2.31 H new ATOM 0 HB1 ALA A 65 -7.896 6.929 -6.933 1.00 52.50 H new ATOM 0 HB2 ALA A 65 -7.519 5.739 -5.664 1.00 52.50 H new ATOM 0 HB3 ALA A 65 -8.781 5.386 -6.869 1.00 52.50 H new ATOM 1035 N ASP A 66 -11.677 7.483 -5.742 1.00 65.22 N ATOM 1036 CA ASP A 66 -12.791 8.145 -6.412 1.00 53.14 C ATOM 1037 C ASP A 66 -13.206 9.407 -5.644 1.00 14.50 C ATOM 1038 O ASP A 66 -13.630 10.398 -6.233 1.00 52.35 O ATOM 1039 CB ASP A 66 -13.959 7.158 -6.536 1.00 45.03 C ATOM 1040 CG ASP A 66 -15.194 7.752 -7.182 1.00 64.41 C ATOM 1041 OD1 ASP A 66 -15.175 7.988 -8.401 1.00 5.04 O ATOM 1042 OD2 ASP A 66 -16.193 7.968 -6.473 1.00 74.23 O ATOM 0 H ASP A 66 -11.952 6.933 -4.928 1.00 65.22 H new ATOM 0 HA ASP A 66 -12.486 8.457 -7.411 1.00 53.14 H new ATOM 0 HB2 ASP A 66 -13.634 6.296 -7.119 1.00 45.03 H new ATOM 0 HB3 ASP A 66 -14.220 6.791 -5.543 1.00 45.03 H new ATOM 1047 N GLU A 67 -13.055 9.372 -4.324 1.00 41.00 N ATOM 1048 CA GLU A 67 -13.349 10.528 -3.471 1.00 14.13 C ATOM 1049 C GLU A 67 -12.189 11.519 -3.441 1.00 14.30 C ATOM 1050 O GLU A 67 -12.345 12.648 -2.980 1.00 20.33 O ATOM 1051 CB GLU A 67 -13.652 10.066 -2.051 1.00 72.25 C ATOM 1052 CG GLU A 67 -14.949 9.301 -1.926 1.00 1.33 C ATOM 1053 CD GLU A 67 -15.086 8.638 -0.580 1.00 42.45 C ATOM 1054 OE1 GLU A 67 -15.383 9.337 0.408 1.00 22.23 O ATOM 1055 OE2 GLU A 67 -14.881 7.415 -0.508 1.00 70.20 O ATOM 0 H GLU A 67 -12.728 8.551 -3.815 1.00 41.00 H new ATOM 0 HA GLU A 67 -14.218 11.032 -3.893 1.00 14.13 H new ATOM 0 HB2 GLU A 67 -12.834 9.437 -1.701 1.00 72.25 H new ATOM 0 HB3 GLU A 67 -13.689 10.936 -1.395 1.00 72.25 H new ATOM 0 HG2 GLU A 67 -15.787 9.980 -2.082 1.00 1.33 H new ATOM 0 HG3 GLU A 67 -15.001 8.545 -2.709 1.00 1.33 H new ATOM 1062 N VAL A 68 -11.029 11.089 -3.935 1.00 55.13 N ATOM 1063 CA VAL A 68 -9.822 11.911 -3.918 1.00 62.45 C ATOM 1064 C VAL A 68 -9.397 12.327 -5.333 1.00 44.30 C ATOM 1065 O VAL A 68 -8.202 12.450 -5.622 1.00 61.34 O ATOM 1066 CB VAL A 68 -8.646 11.195 -3.200 1.00 25.45 C ATOM 1067 CG1 VAL A 68 -8.913 11.075 -1.714 1.00 14.35 C ATOM 1068 CG2 VAL A 68 -8.364 9.819 -3.786 1.00 53.52 C ATOM 0 H VAL A 68 -10.900 10.168 -4.355 1.00 55.13 H new ATOM 0 HA VAL A 68 -10.070 12.811 -3.355 1.00 62.45 H new ATOM 0 HB VAL A 68 -7.762 11.812 -3.358 1.00 25.45 H new ATOM 0 HG11 VAL A 68 -8.075 10.570 -1.233 1.00 14.35 H new ATOM 0 HG12 VAL A 68 -9.032 12.070 -1.284 1.00 14.35 H new ATOM 0 HG13 VAL A 68 -9.824 10.499 -1.553 1.00 14.35 H new ATOM 0 HG21 VAL A 68 -7.534 9.359 -3.251 1.00 53.52 H new ATOM 0 HG22 VAL A 68 -9.251 9.193 -3.688 1.00 53.52 H new ATOM 0 HG23 VAL A 68 -8.105 9.919 -4.840 1.00 53.52 H new ATOM 1078 N LEU A 69 -10.384 12.576 -6.199 1.00 1.54 N ATOM 1079 CA LEU A 69 -10.128 13.028 -7.570 1.00 43.15 C ATOM 1080 C LEU A 69 -9.518 14.426 -7.586 1.00 4.22 C ATOM 1081 O LEU A 69 -8.550 14.683 -8.301 1.00 70.30 O ATOM 1082 CB LEU A 69 -11.423 13.044 -8.397 1.00 54.43 C ATOM 1083 CG LEU A 69 -12.090 11.691 -8.638 1.00 21.13 C ATOM 1084 CD1 LEU A 69 -13.431 11.886 -9.327 1.00 63.50 C ATOM 1085 CD2 LEU A 69 -11.194 10.788 -9.470 1.00 41.33 C ATOM 0 H LEU A 69 -11.373 12.471 -5.973 1.00 1.54 H new ATOM 0 HA LEU A 69 -9.424 12.322 -8.011 1.00 43.15 H new ATOM 0 HB2 LEU A 69 -12.140 13.695 -7.897 1.00 54.43 H new ATOM 0 HB3 LEU A 69 -11.205 13.495 -9.365 1.00 54.43 H new ATOM 0 HG LEU A 69 -12.255 11.211 -7.674 1.00 21.13 H new ATOM 0 HD11 LEU A 69 -13.899 10.916 -9.494 1.00 63.50 H new ATOM 0 HD12 LEU A 69 -14.078 12.497 -8.697 1.00 63.50 H new ATOM 0 HD13 LEU A 69 -13.279 12.386 -10.284 1.00 63.50 H new ATOM 0 HD21 LEU A 69 -11.690 9.830 -9.629 1.00 41.33 H new ATOM 0 HD22 LEU A 69 -10.997 11.259 -10.433 1.00 41.33 H new ATOM 0 HD23 LEU A 69 -10.252 10.627 -8.945 1.00 41.33 H new ATOM 1097 N GLU A 70 -10.081 15.310 -6.774 1.00 14.32 N ATOM 1098 CA GLU A 70 -9.670 16.700 -6.748 1.00 14.45 C ATOM 1099 C GLU A 70 -8.584 16.930 -5.692 1.00 63.43 C ATOM 1100 O GLU A 70 -7.447 17.252 -6.045 1.00 51.10 O ATOM 1101 CB GLU A 70 -10.869 17.633 -6.461 1.00 51.34 C ATOM 1102 CG GLU A 70 -12.135 17.340 -7.266 1.00 62.34 C ATOM 1103 CD GLU A 70 -13.147 16.515 -6.482 1.00 70.35 C ATOM 1104 OE1 GLU A 70 -12.956 15.294 -6.343 1.00 5.11 O ATOM 1105 OE2 GLU A 70 -14.128 17.091 -5.975 1.00 20.24 O ATOM 0 H GLU A 70 -10.830 15.083 -6.120 1.00 14.32 H new ATOM 0 HA GLU A 70 -9.267 16.936 -7.733 1.00 14.45 H new ATOM 0 HB2 GLU A 70 -11.111 17.570 -5.400 1.00 51.34 H new ATOM 0 HB3 GLU A 70 -10.563 18.661 -6.658 1.00 51.34 H new ATOM 0 HG2 GLU A 70 -12.595 18.281 -7.569 1.00 62.34 H new ATOM 0 HG3 GLU A 70 -11.866 16.808 -8.179 1.00 62.34 H new ATOM 1112 N HIS A 71 -8.964 16.711 -4.402 1.00 1.41 N ATOM 1113 CA HIS A 71 -8.188 17.124 -3.204 1.00 73.32 C ATOM 1114 C HIS A 71 -8.044 18.659 -3.207 1.00 54.21 C ATOM 1115 O HIS A 71 -7.032 19.212 -2.769 1.00 3.00 O ATOM 1116 CB HIS A 71 -6.816 16.406 -3.153 1.00 34.12 C ATOM 1117 CG HIS A 71 -6.209 16.232 -1.777 1.00 1.32 C ATOM 1118 ND1 HIS A 71 -5.836 15.004 -1.277 1.00 1.14 N ATOM 1119 CD2 HIS A 71 -5.858 17.130 -0.823 1.00 2.53 C ATOM 1120 CE1 HIS A 71 -5.285 15.159 -0.093 1.00 31.22 C ATOM 1121 NE2 HIS A 71 -5.287 16.439 0.214 1.00 15.32 N ATOM 0 H HIS A 71 -9.834 16.234 -4.165 1.00 1.41 H new ATOM 0 HA HIS A 71 -8.720 16.828 -2.300 1.00 73.32 H new ATOM 0 HB2 HIS A 71 -6.927 15.421 -3.607 1.00 34.12 H new ATOM 0 HB3 HIS A 71 -6.113 16.965 -3.771 1.00 34.12 H new ATOM 0 HD2 HIS A 71 -6.003 18.199 -0.872 1.00 2.53 H new ATOM 0 HE1 HIS A 71 -4.894 14.365 0.527 1.00 31.22 H new ATOM 0 HE2 HIS A 71 -4.925 16.847 1.076 1.00 15.32 H new ATOM 1130 N HIS A 72 -9.116 19.329 -3.687 1.00 35.35 N ATOM 1131 CA HIS A 72 -9.153 20.784 -3.924 1.00 40.35 C ATOM 1132 C HIS A 72 -8.128 21.191 -4.995 1.00 45.22 C ATOM 1133 O HIS A 72 -7.676 20.357 -5.777 1.00 52.50 O ATOM 1134 CB HIS A 72 -8.978 21.577 -2.611 1.00 10.51 C ATOM 1135 CG HIS A 72 -10.110 21.403 -1.644 1.00 2.34 C ATOM 1136 ND1 HIS A 72 -10.012 20.636 -0.504 1.00 50.24 N ATOM 1137 CD2 HIS A 72 -11.363 21.906 -1.646 1.00 52.05 C ATOM 1138 CE1 HIS A 72 -11.154 20.678 0.152 1.00 13.44 C ATOM 1139 NE2 HIS A 72 -11.993 21.441 -0.519 1.00 74.53 N ATOM 0 H HIS A 72 -9.992 18.863 -3.923 1.00 35.35 H new ATOM 0 HA HIS A 72 -10.140 21.039 -4.310 1.00 40.35 H new ATOM 0 HB2 HIS A 72 -8.051 21.266 -2.130 1.00 10.51 H new ATOM 0 HB3 HIS A 72 -8.874 22.636 -2.848 1.00 10.51 H new ATOM 0 HD2 HIS A 72 -11.791 22.555 -2.396 1.00 52.05 H new ATOM 0 HE1 HIS A 72 -11.366 20.172 1.082 1.00 13.44 H new ATOM 0 HE2 HIS A 72 -12.953 21.651 -0.246 1.00 74.53 H new ATOM 1148 N HIS A 73 -7.770 22.468 -5.043 1.00 32.42 N ATOM 1149 CA HIS A 73 -6.927 22.985 -6.129 1.00 74.43 C ATOM 1150 C HIS A 73 -5.424 22.977 -5.786 1.00 12.22 C ATOM 1151 O HIS A 73 -4.622 23.563 -6.515 1.00 41.33 O ATOM 1152 CB HIS A 73 -7.392 24.396 -6.567 1.00 44.15 C ATOM 1153 CG HIS A 73 -7.365 25.478 -5.517 1.00 50.42 C ATOM 1154 ND1 HIS A 73 -6.283 26.301 -5.311 1.00 21.00 N ATOM 1155 CD2 HIS A 73 -8.310 25.883 -4.638 1.00 13.01 C ATOM 1156 CE1 HIS A 73 -6.567 27.168 -4.359 1.00 23.10 C ATOM 1157 NE2 HIS A 73 -7.788 26.934 -3.936 1.00 71.52 N ATOM 0 H HIS A 73 -8.045 23.165 -4.351 1.00 32.42 H new ATOM 0 HA HIS A 73 -7.052 22.301 -6.968 1.00 74.43 H new ATOM 0 HB2 HIS A 73 -6.767 24.716 -7.401 1.00 44.15 H new ATOM 0 HB3 HIS A 73 -8.411 24.315 -6.945 1.00 44.15 H new ATOM 0 HD2 HIS A 73 -9.294 25.456 -4.514 1.00 13.01 H new ATOM 0 HE1 HIS A 73 -5.908 27.939 -3.990 1.00 23.10 H new ATOM 0 HE2 HIS A 73 -8.270 27.453 -3.202 1.00 71.52 H new ATOM 1166 N HIS A 74 -5.046 22.308 -4.693 1.00 55.54 N ATOM 1167 CA HIS A 74 -3.636 22.172 -4.322 1.00 72.13 C ATOM 1168 C HIS A 74 -3.450 20.931 -3.456 1.00 62.44 C ATOM 1169 O HIS A 74 -4.407 20.502 -2.809 1.00 21.43 O ATOM 1170 CB HIS A 74 -3.138 23.418 -3.570 1.00 43.21 C ATOM 1171 CG HIS A 74 -1.859 23.967 -4.123 1.00 10.13 C ATOM 1172 ND1 HIS A 74 -1.820 24.970 -5.066 1.00 72.45 N ATOM 1173 CD2 HIS A 74 -0.569 23.662 -3.859 1.00 44.12 C ATOM 1174 CE1 HIS A 74 -0.567 25.251 -5.359 1.00 4.13 C ATOM 1175 NE2 HIS A 74 0.210 24.474 -4.639 1.00 42.44 N ATOM 0 H HIS A 74 -5.696 21.853 -4.051 1.00 55.54 H new ATOM 0 HA HIS A 74 -3.049 22.071 -5.235 1.00 72.13 H new ATOM 0 HB2 HIS A 74 -3.906 24.191 -3.611 1.00 43.21 H new ATOM 0 HB3 HIS A 74 -2.994 23.167 -2.519 1.00 43.21 H new ATOM 0 HD2 HIS A 74 -0.218 22.916 -3.162 1.00 44.12 H new ATOM 0 HE1 HIS A 74 -0.235 25.993 -6.070 1.00 4.13 H new ATOM 0 HE2 HIS A 74 1.230 24.475 -4.658 1.00 42.44 H new ATOM 1184 N HIS A 75 -2.218 20.366 -3.482 1.00 22.54 N ATOM 1185 CA HIS A 75 -1.806 19.167 -2.708 1.00 73.35 C ATOM 1186 C HIS A 75 -2.420 17.887 -3.255 1.00 1.43 C ATOM 1187 O HIS A 75 -3.634 17.688 -3.184 1.00 75.05 O ATOM 1188 CB HIS A 75 -2.094 19.279 -1.198 1.00 73.22 C ATOM 1189 CG HIS A 75 -1.141 20.158 -0.451 1.00 0.25 C ATOM 1190 ND1 HIS A 75 -1.550 21.189 0.362 1.00 21.25 N ATOM 1191 CD2 HIS A 75 0.206 20.124 -0.365 1.00 23.42 C ATOM 1192 CE1 HIS A 75 -0.492 21.750 0.917 1.00 52.23 C ATOM 1193 NE2 HIS A 75 0.586 21.124 0.489 1.00 32.32 N ATOM 0 H HIS A 75 -1.463 20.741 -4.057 1.00 22.54 H new ATOM 0 HA HIS A 75 -0.724 19.119 -2.832 1.00 73.35 H new ATOM 0 HB2 HIS A 75 -3.106 19.661 -1.061 1.00 73.22 H new ATOM 0 HB3 HIS A 75 -2.068 18.281 -0.760 1.00 73.22 H new ATOM 0 HD2 HIS A 75 0.862 19.435 -0.876 1.00 23.42 H new ATOM 0 HE1 HIS A 75 -0.507 22.582 1.606 1.00 52.23 H new ATOM 0 HE2 HIS A 75 1.546 21.348 0.751 1.00 32.32 H new ATOM 1202 N HIS A 76 -1.540 17.024 -3.788 1.00 33.25 N ATOM 1203 CA HIS A 76 -1.896 15.706 -4.348 1.00 52.03 C ATOM 1204 C HIS A 76 -2.874 15.855 -5.519 1.00 0.44 C ATOM 1205 O HIS A 76 -2.454 16.010 -6.666 1.00 50.03 O ATOM 1206 CB HIS A 76 -2.460 14.777 -3.247 1.00 43.33 C ATOM 1207 CG HIS A 76 -2.551 13.336 -3.643 1.00 55.44 C ATOM 1208 ND1 HIS A 76 -3.595 12.842 -4.377 1.00 22.42 N ATOM 1209 CD2 HIS A 76 -1.733 12.285 -3.402 1.00 75.04 C ATOM 1210 CE1 HIS A 76 -3.417 11.564 -4.582 1.00 21.42 C ATOM 1211 NE2 HIS A 76 -2.297 11.189 -4.002 1.00 20.44 N ATOM 0 H HIS A 76 -0.542 17.225 -3.844 1.00 33.25 H new ATOM 0 HA HIS A 76 -0.990 15.242 -4.738 1.00 52.03 H new ATOM 0 HB2 HIS A 76 -1.830 14.859 -2.361 1.00 43.33 H new ATOM 0 HB3 HIS A 76 -3.453 15.128 -2.966 1.00 43.33 H new ATOM 0 HD1 HIS A 76 -4.389 13.387 -4.712 1.00 22.42 H new ATOM 0 HD2 HIS A 76 -0.810 12.306 -2.842 1.00 75.04 H new ATOM 0 HE1 HIS A 76 -4.082 10.919 -5.138 1.00 21.42 H new TER 1220 HIS A 76