USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC H2A : A 90 HEC O2A : A 90 HEC CGA :(short bond) USER MOD Set 1.1: A 12 THR OG1 : rot -37:sc= 0.471 USER MOD Set 1.2: A 16 SER OG : rot 174:sc= -0.389 USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 7 TYR OH : rot 150:sc= 0.165 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 9 LYS NZ :NH3+ -114:sc= 0.903 (180deg=-1.7!) USER MOD Single : A -3 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.0443 F(o=-0.57,f=-0.044) USER MOD Single : A 27 ASN : amide:sc= 0.664 K(o=0.66,f=-2!) USER MOD Single : A 28 THR OG1 : rot -95:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.205 F(o=-2.6!,f=-0.21) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 88:sc=-0.00256 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.273 F(o=-1.2,f=-0.27) USER MOD Single : A 53 MET CE :methyl -165:sc= -0.429 (180deg=-1.12) USER MOD Single : A 58 MET CE :methyl -169:sc= 0 (180deg=-0.126) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.362 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 39:sc= 0.634 USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= 1.23 (180deg=0.622) USER MOD Single : A 74 MET CE :methyl -120:sc= -0.205 (180deg=-0.657) USER MOD Single : A 75 SER OG : rot -51:sc= 0.0788 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= 2.62 (180deg=-1.66!) USER MOD Single : A 90 HEC O2D : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 2.583 -7.709 -17.623 1.00 10.00 N ATOM 2 CA ALA A -3 2.138 -6.308 -17.465 1.00 10.00 C ATOM 3 C ALA A -3 3.280 -5.441 -16.909 1.00 10.00 C ATOM 4 O ALA A -3 4.102 -4.977 -17.694 1.00 10.00 O ATOM 5 CB ALA A -3 0.825 -6.247 -16.670 1.00 10.00 C ATOM 0 H1 ALA A -3 1.801 -8.281 -17.999 1.00 10.00 H new ATOM 0 H2 ALA A -3 3.387 -7.746 -18.282 1.00 10.00 H new ATOM 0 H3 ALA A -3 2.875 -8.087 -16.699 1.00 10.00 H new ATOM 0 HA ALA A -3 1.900 -5.875 -18.437 1.00 10.00 H new ATOM 0 HB1 ALA A -3 0.512 -5.208 -16.563 1.00 10.00 H new ATOM 0 HB2 ALA A -3 0.053 -6.806 -17.199 1.00 10.00 H new ATOM 0 HB3 ALA A -3 0.977 -6.683 -15.683 1.00 10.00 H new ATOM 13 N ASP A -2 3.407 -5.325 -15.583 1.00 10.00 N ATOM 14 CA ASP A -2 4.339 -4.394 -14.951 1.00 10.00 C ATOM 15 C ASP A -2 4.566 -4.759 -13.468 1.00 10.00 C ATOM 16 O ASP A -2 4.651 -3.906 -12.589 1.00 10.00 O ATOM 17 CB ASP A -2 3.840 -2.958 -15.197 1.00 10.00 C ATOM 18 CG ASP A -2 2.351 -2.764 -14.954 1.00 10.00 C ATOM 19 OD1 ASP A -2 1.548 -3.327 -15.723 1.00 10.00 O ATOM 20 OD2 ASP A -2 2.050 -1.927 -14.080 1.00 10.00 O ATOM 0 H ASP A -2 2.864 -5.877 -14.919 1.00 10.00 H new ATOM 0 HA ASP A -2 5.330 -4.466 -15.399 1.00 10.00 H new ATOM 0 HB2 ASP A -2 4.394 -2.277 -14.550 1.00 10.00 H new ATOM 0 HB3 ASP A -2 4.068 -2.677 -16.225 1.00 10.00 H new ATOM 25 N LEU A -1 4.703 -6.067 -13.233 1.00 10.00 N ATOM 26 CA LEU A -1 4.943 -6.725 -11.951 1.00 10.00 C ATOM 27 C LEU A -1 6.248 -7.520 -12.043 1.00 10.00 C ATOM 28 O LEU A -1 6.251 -8.731 -12.246 1.00 10.00 O ATOM 29 CB LEU A -1 3.732 -7.615 -11.665 1.00 10.00 C ATOM 30 CG LEU A -1 3.900 -8.537 -10.443 1.00 10.00 C ATOM 31 CD1 LEU A -1 2.854 -8.172 -9.397 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.707 -10.004 -10.845 1.00 10.00 C ATOM 0 H LEU A -1 4.644 -6.743 -13.995 1.00 10.00 H new ATOM 0 HA LEU A -1 5.056 -6.015 -11.132 1.00 10.00 H new ATOM 0 HB2 LEU A -1 2.858 -6.982 -11.511 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.530 -8.228 -12.543 1.00 10.00 H new ATOM 0 HG LEU A -1 4.905 -8.408 -10.040 1.00 10.00 H new ATOM 0 HD11 LEU A -1 2.966 -8.821 -8.528 1.00 10.00 H new ATOM 0 HD12 LEU A -1 2.989 -7.134 -9.094 1.00 10.00 H new ATOM 0 HD13 LEU A -1 1.857 -8.300 -9.819 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.829 -10.641 -9.969 1.00 10.00 H new ATOM 0 HD22 LEU A -1 2.706 -10.140 -11.255 1.00 10.00 H new ATOM 0 HD23 LEU A -1 4.448 -10.276 -11.597 1.00 10.00 H new ATOM 44 N GLN A 1 7.362 -6.794 -12.020 1.00 10.00 N ATOM 45 CA GLN A 1 8.709 -7.357 -11.944 1.00 10.00 C ATOM 46 C GLN A 1 9.473 -7.025 -10.661 1.00 10.00 C ATOM 47 O GLN A 1 10.449 -7.702 -10.344 1.00 10.00 O ATOM 48 CB GLN A 1 9.485 -6.990 -13.218 1.00 10.00 C ATOM 49 CG GLN A 1 9.747 -8.256 -14.049 1.00 10.00 C ATOM 50 CD GLN A 1 10.107 -7.972 -15.502 1.00 10.00 C ATOM 51 OE1 GLN A 1 10.152 -6.837 -15.956 1.00 10.00 O ATOM 52 NE2 GLN A 1 10.346 -9.023 -16.275 1.00 10.00 N ATOM 0 H GLN A 1 7.354 -5.775 -12.054 1.00 10.00 H new ATOM 0 HA GLN A 1 8.602 -8.440 -11.889 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.917 -6.269 -13.806 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.430 -6.514 -12.955 1.00 10.00 H new ATOM 0 HG2 GLN A 1 10.556 -8.822 -13.587 1.00 10.00 H new ATOM 0 HG3 GLN A 1 8.860 -8.888 -14.021 1.00 10.00 H new ATOM 0 HE21 GLN A 1 10.305 -9.964 -15.883 1.00 10.00 H new ATOM 0 HE22 GLN A 1 10.571 -8.890 -17.261 1.00 10.00 H new ATOM 61 N ASP A 2 9.064 -5.960 -9.971 1.00 10.00 N ATOM 62 CA ASP A 2 9.684 -5.522 -8.737 1.00 10.00 C ATOM 63 C ASP A 2 8.682 -4.696 -7.923 1.00 10.00 C ATOM 64 O ASP A 2 8.205 -3.645 -8.359 1.00 10.00 O ATOM 65 CB ASP A 2 10.972 -4.740 -9.035 1.00 10.00 C ATOM 66 CG ASP A 2 11.810 -4.553 -7.779 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.201 -4.213 -6.741 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.037 -4.757 -7.879 1.00 10.00 O ATOM 0 H ASP A 2 8.282 -5.375 -10.264 1.00 10.00 H new ATOM 0 HA ASP A 2 9.967 -6.388 -8.139 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.555 -5.270 -9.788 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.720 -3.766 -9.454 1.00 10.00 H new ATOM 73 N ALA A 3 8.391 -5.158 -6.715 1.00 10.00 N ATOM 74 CA ALA A 3 7.636 -4.433 -5.716 1.00 10.00 C ATOM 75 C ALA A 3 8.028 -2.953 -5.561 1.00 10.00 C ATOM 76 O ALA A 3 7.151 -2.100 -5.403 1.00 10.00 O ATOM 77 CB ALA A 3 7.826 -5.168 -4.409 1.00 10.00 C ATOM 0 H ALA A 3 8.687 -6.081 -6.398 1.00 10.00 H new ATOM 0 HA ALA A 3 6.594 -4.403 -6.034 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.273 -4.657 -3.621 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.457 -6.189 -4.509 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.886 -5.189 -4.154 1.00 10.00 H new ATOM 83 N GLU A 4 9.327 -2.628 -5.634 1.00 10.00 N ATOM 84 CA GLU A 4 9.772 -1.239 -5.662 1.00 10.00 C ATOM 85 C GLU A 4 9.120 -0.491 -6.825 1.00 10.00 C ATOM 86 O GLU A 4 8.526 0.569 -6.640 1.00 10.00 O ATOM 87 CB GLU A 4 11.304 -1.143 -5.698 1.00 10.00 C ATOM 88 CG GLU A 4 11.765 0.317 -5.875 1.00 10.00 C ATOM 89 CD GLU A 4 13.214 0.562 -5.463 1.00 10.00 C ATOM 90 OE1 GLU A 4 14.008 -0.400 -5.517 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.501 1.721 -5.098 1.00 10.00 O ATOM 0 H GLU A 4 10.082 -3.312 -5.674 1.00 10.00 H new ATOM 0 HA GLU A 4 9.451 -0.756 -4.739 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.719 -1.549 -4.775 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.690 -1.751 -6.516 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.641 0.603 -6.920 1.00 10.00 H new ATOM 0 HG3 GLU A 4 11.116 0.966 -5.288 1.00 10.00 H new ATOM 98 N ALA A 5 9.148 -1.083 -8.021 1.00 10.00 N ATOM 99 CA ALA A 5 8.562 -0.480 -9.209 1.00 10.00 C ATOM 100 C ALA A 5 7.036 -0.430 -9.099 1.00 10.00 C ATOM 101 O ALA A 5 6.425 0.547 -9.526 1.00 10.00 O ATOM 102 CB ALA A 5 9.010 -1.242 -10.456 1.00 10.00 C ATOM 0 H ALA A 5 9.578 -1.993 -8.188 1.00 10.00 H new ATOM 0 HA ALA A 5 8.914 0.548 -9.293 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.567 -0.784 -11.341 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.097 -1.205 -10.534 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.686 -2.280 -10.384 1.00 10.00 H new ATOM 108 N ILE A 6 6.420 -1.416 -8.439 1.00 10.00 N ATOM 109 CA ILE A 6 4.977 -1.385 -8.226 1.00 10.00 C ATOM 110 C ILE A 6 4.633 -0.202 -7.320 1.00 10.00 C ATOM 111 O ILE A 6 3.830 0.636 -7.722 1.00 10.00 O ATOM 112 CB ILE A 6 4.486 -2.710 -7.612 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.480 -3.860 -8.633 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.104 -2.579 -6.946 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.368 -3.756 -9.685 1.00 10.00 C ATOM 0 H ILE A 6 6.893 -2.232 -8.050 1.00 10.00 H new ATOM 0 HA ILE A 6 4.472 -1.263 -9.184 1.00 10.00 H new ATOM 0 HB ILE A 6 5.207 -2.954 -6.832 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.444 -3.887 -9.140 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.374 -4.805 -8.100 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.808 -3.542 -6.530 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.154 -1.839 -6.147 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.371 -2.263 -7.688 1.00 10.00 H new ATOM 0 HD11 ILE A 6 3.432 -4.604 -10.367 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.397 -3.761 -9.190 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.484 -2.829 -10.246 1.00 10.00 H new ATOM 127 N TYR A 7 5.266 -0.039 -6.151 1.00 10.00 N ATOM 128 CA TYR A 7 4.872 1.087 -5.304 1.00 10.00 C ATOM 129 C TYR A 7 5.272 2.426 -5.931 1.00 10.00 C ATOM 130 O TYR A 7 4.484 3.368 -5.949 1.00 10.00 O ATOM 131 CB TYR A 7 5.314 0.930 -3.839 1.00 10.00 C ATOM 132 CG TYR A 7 6.633 1.570 -3.469 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.716 2.962 -3.270 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.779 0.773 -3.327 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.968 3.568 -3.070 1.00 10.00 C ATOM 136 CE2 TYR A 7 9.027 1.382 -3.125 1.00 10.00 C ATOM 137 CZ TYR A 7 9.125 2.775 -3.016 1.00 10.00 C ATOM 138 OH TYR A 7 10.339 3.358 -2.831 1.00 10.00 O ATOM 0 H TYR A 7 6.010 -0.635 -5.788 1.00 10.00 H new ATOM 0 HA TYR A 7 3.783 1.084 -5.256 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.538 1.350 -3.200 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.373 -0.134 -3.611 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.819 3.563 -3.271 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.701 -0.303 -3.373 1.00 10.00 H new ATOM 0 HE1 TYR A 7 8.040 4.640 -2.958 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.916 0.774 -3.053 1.00 10.00 H new ATOM 0 HH TYR A 7 10.932 2.737 -2.359 1.00 10.00 H new ATOM 148 N ASN A 8 6.476 2.488 -6.500 1.00 10.00 N ATOM 149 CA ASN A 8 7.062 3.681 -7.086 1.00 10.00 C ATOM 150 C ASN A 8 6.342 4.119 -8.368 1.00 10.00 C ATOM 151 O ASN A 8 6.427 5.283 -8.739 1.00 10.00 O ATOM 152 CB ASN A 8 8.552 3.405 -7.302 1.00 10.00 C ATOM 153 CG ASN A 8 9.372 4.620 -7.696 1.00 10.00 C ATOM 154 OD1 ASN A 8 9.089 5.748 -7.318 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.441 4.390 -8.444 1.00 10.00 N ATOM 0 H ASN A 8 7.088 1.675 -6.565 1.00 10.00 H new ATOM 0 HA ASN A 8 6.943 4.527 -6.409 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.966 2.986 -6.385 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.658 2.645 -8.076 1.00 10.00 H new ATOM 0 HD21 ASN A 8 11.048 5.163 -8.717 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.657 3.440 -8.747 1.00 10.00 H new ATOM 162 N LYS A 9 5.637 3.207 -9.049 1.00 10.00 N ATOM 163 CA LYS A 9 4.721 3.544 -10.138 1.00 10.00 C ATOM 164 C LYS A 9 3.249 3.708 -9.696 1.00 10.00 C ATOM 165 O LYS A 9 2.503 4.433 -10.352 1.00 10.00 O ATOM 166 CB LYS A 9 4.876 2.523 -11.270 1.00 10.00 C ATOM 167 CG LYS A 9 4.245 3.046 -12.570 1.00 10.00 C ATOM 168 CD LYS A 9 3.020 2.222 -12.969 1.00 10.00 C ATOM 169 CE LYS A 9 3.451 0.814 -13.394 1.00 10.00 C ATOM 170 NZ LYS A 9 2.759 0.404 -14.627 1.00 10.00 N ATOM 0 H LYS A 9 5.689 2.207 -8.855 1.00 10.00 H new ATOM 0 HA LYS A 9 5.002 4.532 -10.503 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.933 2.312 -11.433 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.404 1.583 -10.984 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.957 4.089 -12.442 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.983 3.015 -13.372 1.00 10.00 H new ATOM 0 HD2 LYS A 9 2.324 2.161 -12.132 1.00 10.00 H new ATOM 0 HD3 LYS A 9 2.492 2.712 -13.787 1.00 10.00 H new ATOM 0 HE2 LYS A 9 4.529 0.791 -13.552 1.00 10.00 H new ATOM 0 HE3 LYS A 9 3.231 0.105 -12.596 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 2.124 -0.393 -14.420 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 2.204 1.203 -14.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 3.460 0.112 -15.338 1.00 10.00 H new ATOM 184 N ALA A 10 2.804 3.026 -8.632 1.00 10.00 N ATOM 185 CA ALA A 10 1.391 2.964 -8.222 1.00 10.00 C ATOM 186 C ALA A 10 1.097 3.783 -6.962 1.00 10.00 C ATOM 187 O ALA A 10 0.360 4.769 -7.006 1.00 10.00 O ATOM 188 CB ALA A 10 0.954 1.510 -8.015 1.00 10.00 C ATOM 0 H ALA A 10 3.423 2.493 -8.021 1.00 10.00 H new ATOM 0 HA ALA A 10 0.815 3.408 -9.034 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.093 1.484 -7.712 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.076 0.957 -8.946 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.567 1.053 -7.239 1.00 10.00 H new ATOM 194 N CYS A 11 1.689 3.411 -5.824 1.00 10.00 N ATOM 195 CA CYS A 11 1.496 4.054 -4.523 1.00 10.00 C ATOM 196 C CYS A 11 2.274 5.387 -4.442 1.00 10.00 C ATOM 197 O CYS A 11 2.798 5.766 -3.397 1.00 10.00 O ATOM 198 CB CYS A 11 1.900 3.099 -3.414 1.00 10.00 C ATOM 199 SG CYS A 11 1.700 1.325 -3.763 1.00 10.00 S ATOM 0 H CYS A 11 2.339 2.626 -5.783 1.00 10.00 H new ATOM 0 HA CYS A 11 0.440 4.295 -4.399 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.946 3.283 -3.168 1.00 10.00 H new ATOM 0 HB3 CYS A 11 1.317 3.340 -2.526 1.00 10.00 H new ATOM 204 N THR A 12 2.350 6.111 -5.562 1.00 10.00 N ATOM 205 CA THR A 12 3.295 7.200 -5.792 1.00 10.00 C ATOM 206 C THR A 12 2.633 8.515 -6.188 1.00 10.00 C ATOM 207 O THR A 12 3.303 9.519 -6.418 1.00 10.00 O ATOM 208 CB THR A 12 4.301 6.757 -6.856 1.00 10.00 C ATOM 209 OG1 THR A 12 5.381 7.651 -6.857 1.00 10.00 O ATOM 210 CG2 THR A 12 3.654 6.742 -8.251 1.00 10.00 C ATOM 0 H THR A 12 1.734 5.947 -6.358 1.00 10.00 H new ATOM 0 HA THR A 12 3.797 7.405 -4.847 1.00 10.00 H new ATOM 0 HB THR A 12 4.640 5.748 -6.622 1.00 10.00 H new ATOM 0 HG1 THR A 12 5.053 8.561 -6.698 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.390 6.424 -8.990 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.813 6.049 -8.254 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.300 7.743 -8.499 1.00 10.00 H new ATOM 218 N VAL A 13 1.308 8.485 -6.301 1.00 10.00 N ATOM 219 CA VAL A 13 0.495 9.577 -6.804 1.00 10.00 C ATOM 220 C VAL A 13 -0.207 10.260 -5.624 1.00 10.00 C ATOM 221 O VAL A 13 -0.159 11.477 -5.466 1.00 10.00 O ATOM 222 CB VAL A 13 -0.490 8.997 -7.833 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.163 10.150 -8.566 1.00 10.00 C ATOM 224 CG2 VAL A 13 0.208 8.101 -8.870 1.00 10.00 C ATOM 0 H VAL A 13 0.756 7.670 -6.034 1.00 10.00 H new ATOM 0 HA VAL A 13 1.094 10.339 -7.302 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.213 8.385 -7.294 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -1.865 9.754 -9.300 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -1.699 10.773 -7.850 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.407 10.749 -9.074 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -0.530 7.716 -9.574 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.955 8.683 -9.410 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.694 7.268 -8.362 1.00 10.00 H new ATOM 234 N CYS A 14 -0.810 9.439 -4.762 1.00 10.00 N ATOM 235 CA CYS A 14 -1.393 9.839 -3.493 1.00 10.00 C ATOM 236 C CYS A 14 -0.320 9.886 -2.392 1.00 10.00 C ATOM 237 O CYS A 14 -0.006 10.948 -1.856 1.00 10.00 O ATOM 238 CB CYS A 14 -2.475 8.844 -3.170 1.00 10.00 C ATOM 239 SG CYS A 14 -4.066 9.298 -3.922 1.00 10.00 S ATOM 0 H CYS A 14 -0.906 8.440 -4.942 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.814 10.842 -3.556 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.176 7.857 -3.522 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.592 8.774 -2.089 1.00 10.00 H new ATOM 244 N HIS A 15 0.244 8.725 -2.052 1.00 10.00 N ATOM 245 CA HIS A 15 1.001 8.497 -0.821 1.00 10.00 C ATOM 246 C HIS A 15 2.411 9.116 -0.795 1.00 10.00 C ATOM 247 O HIS A 15 2.965 9.327 0.284 1.00 10.00 O ATOM 248 CB HIS A 15 1.074 6.988 -0.582 1.00 10.00 C ATOM 249 CG HIS A 15 -0.210 6.364 -0.108 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.461 6.008 1.191 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.196 5.824 -0.887 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.552 5.224 1.190 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.067 5.114 -0.047 1.00 10.00 N ATOM 0 H HIS A 15 0.185 7.895 -2.642 1.00 10.00 H new ATOM 0 HA HIS A 15 0.467 9.010 -0.021 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.378 6.501 -1.509 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.853 6.788 0.154 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.081 6.287 2.009 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.288 5.926 -1.958 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.961 4.745 2.067 1.00 10.00 H new ATOM 261 N SER A 16 2.995 9.417 -1.960 1.00 10.00 N ATOM 262 CA SER A 16 4.306 10.071 -2.051 1.00 10.00 C ATOM 263 C SER A 16 4.255 11.485 -1.466 1.00 10.00 C ATOM 264 O SER A 16 5.154 11.901 -0.740 1.00 10.00 O ATOM 265 CB SER A 16 4.791 10.128 -3.510 1.00 10.00 C ATOM 266 OG SER A 16 5.365 8.887 -3.875 1.00 10.00 O ATOM 0 H SER A 16 2.573 9.214 -2.866 1.00 10.00 H new ATOM 0 HA SER A 16 5.011 9.477 -1.469 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.956 10.361 -4.171 1.00 10.00 H new ATOM 0 HB3 SER A 16 5.524 10.926 -3.628 1.00 10.00 H new ATOM 0 HG SER A 16 5.583 8.896 -4.830 1.00 10.00 H new ATOM 272 N MET A 17 3.202 12.225 -1.820 1.00 10.00 N ATOM 273 CA MET A 17 2.990 13.615 -1.427 1.00 10.00 C ATOM 274 C MET A 17 1.964 13.739 -0.285 1.00 10.00 C ATOM 275 O MET A 17 1.968 14.728 0.444 1.00 10.00 O ATOM 276 CB MET A 17 2.570 14.393 -2.684 1.00 10.00 C ATOM 277 CG MET A 17 3.727 14.484 -3.695 1.00 10.00 C ATOM 278 SD MET A 17 5.092 15.583 -3.236 1.00 10.00 S ATOM 279 CE MET A 17 6.321 15.094 -4.460 1.00 10.00 C ATOM 0 H MET A 17 2.452 11.860 -2.406 1.00 10.00 H new ATOM 0 HA MET A 17 3.911 14.039 -1.026 1.00 10.00 H new ATOM 0 HB2 MET A 17 1.715 13.903 -3.149 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.249 15.396 -2.404 1.00 10.00 H new ATOM 0 HG2 MET A 17 4.128 13.483 -3.850 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.323 14.817 -4.651 1.00 10.00 H new ATOM 0 HE1 MET A 17 7.230 15.679 -4.317 1.00 10.00 H new ATOM 0 HE2 MET A 17 6.549 14.035 -4.343 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.929 15.272 -5.461 1.00 10.00 H new ATOM 289 N GLY A 18 1.088 12.741 -0.123 1.00 10.00 N ATOM 290 CA GLY A 18 -0.007 12.760 0.848 1.00 10.00 C ATOM 291 C GLY A 18 -1.259 13.444 0.286 1.00 10.00 C ATOM 292 O GLY A 18 -1.929 14.207 0.978 1.00 10.00 O ATOM 0 H GLY A 18 1.123 11.883 -0.674 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.251 11.738 1.139 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.317 13.280 1.750 1.00 10.00 H new ATOM 296 N VAL A 19 -1.582 13.162 -0.979 1.00 10.00 N ATOM 297 CA VAL A 19 -2.746 13.702 -1.674 1.00 10.00 C ATOM 298 C VAL A 19 -3.959 12.799 -1.415 1.00 10.00 C ATOM 299 O VAL A 19 -3.830 11.666 -0.953 1.00 10.00 O ATOM 300 CB VAL A 19 -2.415 13.902 -3.168 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.616 14.351 -4.013 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.313 14.961 -3.317 1.00 10.00 C ATOM 0 H VAL A 19 -1.025 12.536 -1.560 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.009 14.688 -1.290 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.096 12.927 -3.535 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.306 14.471 -5.051 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.404 13.600 -3.954 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.992 15.302 -3.635 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.082 15.100 -4.373 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.656 15.905 -2.894 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.418 14.631 -2.790 1.00 10.00 H new ATOM 312 N ALA A 20 -5.160 13.347 -1.615 1.00 10.00 N ATOM 313 CA ALA A 20 -6.438 12.699 -1.314 1.00 10.00 C ATOM 314 C ALA A 20 -6.601 12.317 0.171 1.00 10.00 C ATOM 315 O ALA A 20 -7.462 11.512 0.513 1.00 10.00 O ATOM 316 CB ALA A 20 -6.653 11.507 -2.255 1.00 10.00 C ATOM 0 H ALA A 20 -5.273 14.283 -2.003 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.226 13.430 -1.495 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.606 11.030 -2.026 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.661 11.856 -3.288 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.845 10.788 -2.121 1.00 10.00 H new ATOM 322 N GLY A 21 -5.770 12.885 1.053 1.00 10.00 N ATOM 323 CA GLY A 21 -5.695 12.518 2.465 1.00 10.00 C ATOM 324 C GLY A 21 -4.915 11.219 2.716 1.00 10.00 C ATOM 325 O GLY A 21 -5.026 10.635 3.789 1.00 10.00 O ATOM 0 H GLY A 21 -5.119 13.627 0.796 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.223 13.329 3.019 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.706 12.408 2.859 1.00 10.00 H new ATOM 329 N ALA A 22 -4.128 10.745 1.743 1.00 10.00 N ATOM 330 CA ALA A 22 -3.448 9.462 1.858 1.00 10.00 C ATOM 331 C ALA A 22 -2.361 9.442 2.954 1.00 10.00 C ATOM 332 O ALA A 22 -1.533 10.353 3.011 1.00 10.00 O ATOM 333 CB ALA A 22 -2.869 9.079 0.500 1.00 10.00 C ATOM 0 H ALA A 22 -3.950 11.237 0.867 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.187 8.723 2.169 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.359 8.119 0.580 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.674 9.002 -0.230 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.160 9.842 0.179 1.00 10.00 H new ATOM 339 N PRO A 23 -2.333 8.408 3.814 1.00 10.00 N ATOM 340 CA PRO A 23 -1.376 8.289 4.909 1.00 10.00 C ATOM 341 C PRO A 23 0.051 8.113 4.381 1.00 10.00 C ATOM 342 O PRO A 23 0.266 7.425 3.381 1.00 10.00 O ATOM 343 CB PRO A 23 -1.838 7.083 5.731 1.00 10.00 C ATOM 344 CG PRO A 23 -2.686 6.261 4.770 1.00 10.00 C ATOM 345 CD PRO A 23 -3.279 7.309 3.841 1.00 10.00 C ATOM 0 HA PRO A 23 -1.347 9.190 5.522 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.989 6.508 6.101 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.416 7.395 6.601 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -2.085 5.534 4.224 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -3.462 5.703 5.295 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.431 6.902 2.841 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.252 7.642 4.201 1.00 10.00 H new ATOM 353 N LYS A 24 1.032 8.744 5.030 1.00 10.00 N ATOM 354 CA LYS A 24 2.366 8.874 4.448 1.00 10.00 C ATOM 355 C LYS A 24 3.078 7.520 4.311 1.00 10.00 C ATOM 356 O LYS A 24 2.961 6.634 5.163 1.00 10.00 O ATOM 357 CB LYS A 24 3.248 9.862 5.225 1.00 10.00 C ATOM 358 CG LYS A 24 2.599 11.235 5.446 1.00 10.00 C ATOM 359 CD LYS A 24 3.631 12.203 6.061 1.00 10.00 C ATOM 360 CE LYS A 24 4.063 13.334 5.107 1.00 10.00 C ATOM 361 NZ LYS A 24 3.580 14.655 5.567 1.00 10.00 N ATOM 0 H LYS A 24 0.928 9.169 5.951 1.00 10.00 H new ATOM 0 HA LYS A 24 2.212 9.276 3.447 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.496 9.428 6.194 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.186 9.997 4.687 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.233 11.632 4.499 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.737 11.139 6.106 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.210 12.643 6.965 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.512 11.637 6.363 1.00 10.00 H new ATOM 0 HE2 LYS A 24 5.150 13.351 5.032 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.677 13.134 4.107 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 3.890 15.390 4.900 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 2.541 14.647 5.615 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 3.969 14.858 6.510 1.00 10.00 H new ATOM 375 N SER A 25 3.866 7.388 3.242 1.00 10.00 N ATOM 376 CA SER A 25 4.687 6.216 2.964 1.00 10.00 C ATOM 377 C SER A 25 5.574 5.800 4.150 1.00 10.00 C ATOM 378 O SER A 25 5.754 4.613 4.388 1.00 10.00 O ATOM 379 CB SER A 25 5.532 6.502 1.718 1.00 10.00 C ATOM 380 OG SER A 25 6.288 7.680 1.940 1.00 10.00 O ATOM 0 H SER A 25 3.950 8.114 2.530 1.00 10.00 H new ATOM 0 HA SER A 25 4.023 5.369 2.789 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.195 5.662 1.510 1.00 10.00 H new ATOM 0 HB3 SER A 25 4.889 6.624 0.846 1.00 10.00 H new ATOM 0 HG SER A 25 6.834 7.872 1.149 1.00 10.00 H new ATOM 386 N HIS A 26 6.121 6.767 4.893 1.00 10.00 N ATOM 387 CA HIS A 26 7.076 6.532 5.981 1.00 10.00 C ATOM 388 C HIS A 26 6.630 7.082 7.349 1.00 10.00 C ATOM 389 O HIS A 26 7.440 7.625 8.096 1.00 10.00 O ATOM 390 CB HIS A 26 8.453 7.065 5.554 1.00 10.00 C ATOM 391 CG HIS A 26 8.599 8.570 5.469 1.00 10.00 C ATOM 392 ND1 HIS A 26 7.609 9.520 5.485 1.00 10.00 N flip ATOM 393 CD2 HIS A 26 9.803 9.237 5.434 1.00 10.00 C flip ATOM 394 CE1 HIS A 26 8.216 10.778 5.449 1.00 10.00 C flip ATOM 395 NE2 HIS A 26 9.540 10.555 5.419 1.00 10.00 N flip ATOM 0 H HIS A 26 5.908 7.755 4.752 1.00 10.00 H new ATOM 0 HA HIS A 26 7.132 5.456 6.145 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.197 6.689 6.257 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.694 6.643 4.578 1.00 10.00 H new ATOM 0 HD2 HIS A 26 10.783 8.783 5.421 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.720 11.737 5.446 1.00 10.00 H new ATOM 0 HE2 HIS A 26 10.250 11.287 5.389 1.00 10.00 H new ATOM 403 N ASN A 27 5.348 6.936 7.699 1.00 10.00 N ATOM 404 CA ASN A 27 4.849 7.309 9.027 1.00 10.00 C ATOM 405 C ASN A 27 5.044 6.181 10.057 1.00 10.00 C ATOM 406 O ASN A 27 5.270 5.031 9.690 1.00 10.00 O ATOM 407 CB ASN A 27 3.368 7.733 8.922 1.00 10.00 C ATOM 408 CG ASN A 27 3.164 9.246 8.952 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.984 10.007 9.448 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.042 9.720 8.443 1.00 10.00 N ATOM 0 H ASN A 27 4.633 6.560 7.077 1.00 10.00 H new ATOM 0 HA ASN A 27 5.434 8.155 9.389 1.00 10.00 H new ATOM 0 HB2 ASN A 27 2.949 7.336 7.997 1.00 10.00 H new ATOM 0 HB3 ASN A 27 2.810 7.283 9.743 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.857 10.723 8.462 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.360 9.083 8.030 1.00 10.00 H new ATOM 417 N THR A 28 4.909 6.508 11.350 1.00 10.00 N ATOM 418 CA THR A 28 4.762 5.496 12.409 1.00 10.00 C ATOM 419 C THR A 28 3.315 5.407 12.900 1.00 10.00 C ATOM 420 O THR A 28 2.791 4.315 13.075 1.00 10.00 O ATOM 421 CB THR A 28 5.718 5.800 13.580 1.00 10.00 C ATOM 422 OG1 THR A 28 5.719 4.741 14.517 1.00 10.00 O ATOM 423 CG2 THR A 28 5.416 7.101 14.331 1.00 10.00 C ATOM 0 H THR A 28 4.898 7.470 11.690 1.00 10.00 H new ATOM 0 HA THR A 28 5.026 4.527 11.986 1.00 10.00 H new ATOM 0 HB THR A 28 6.694 5.916 13.110 1.00 10.00 H new ATOM 0 HG1 THR A 28 5.088 4.943 15.239 1.00 10.00 H new ATOM 0 HG21 THR A 28 6.138 7.232 15.137 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.484 7.943 13.642 1.00 10.00 H new ATOM 0 HG23 THR A 28 4.410 7.055 14.749 1.00 10.00 H new ATOM 431 N ALA A 29 2.590 6.529 12.946 1.00 10.00 N ATOM 432 CA ALA A 29 1.240 6.559 13.507 1.00 10.00 C ATOM 433 C ALA A 29 0.190 5.940 12.577 1.00 10.00 C ATOM 434 O ALA A 29 -0.762 5.320 13.040 1.00 10.00 O ATOM 435 CB ALA A 29 0.876 7.998 13.853 1.00 10.00 C ATOM 0 H ALA A 29 2.919 7.430 12.600 1.00 10.00 H new ATOM 0 HA ALA A 29 1.241 5.945 14.408 1.00 10.00 H new ATOM 0 HB1 ALA A 29 -0.130 8.028 14.272 1.00 10.00 H new ATOM 0 HB2 ALA A 29 1.585 8.387 14.583 1.00 10.00 H new ATOM 0 HB3 ALA A 29 0.912 8.609 12.951 1.00 10.00 H new ATOM 441 N ASP A 30 0.369 6.087 11.261 1.00 10.00 N ATOM 442 CA ASP A 30 -0.548 5.534 10.270 1.00 10.00 C ATOM 443 C ASP A 30 -0.385 4.010 10.183 1.00 10.00 C ATOM 444 O ASP A 30 -1.317 3.290 9.823 1.00 10.00 O ATOM 445 CB ASP A 30 -0.271 6.156 8.893 1.00 10.00 C ATOM 446 CG ASP A 30 -0.395 7.666 8.807 1.00 10.00 C ATOM 447 OD1 ASP A 30 -0.799 8.295 9.803 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.004 8.179 7.732 1.00 10.00 O ATOM 0 H ASP A 30 1.156 6.594 10.856 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.568 5.767 10.575 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.737 5.876 8.586 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.958 5.713 8.172 1.00 10.00 H new ATOM 453 N TRP A 31 0.831 3.543 10.480 1.00 10.00 N ATOM 454 CA TRP A 31 1.282 2.166 10.379 1.00 10.00 C ATOM 455 C TRP A 31 1.068 1.415 11.714 1.00 10.00 C ATOM 456 O TRP A 31 0.670 0.254 11.701 1.00 10.00 O ATOM 457 CB TRP A 31 2.734 2.187 9.862 1.00 10.00 C ATOM 458 CG TRP A 31 2.923 2.777 8.476 1.00 10.00 C ATOM 459 CD1 TRP A 31 2.930 4.100 8.190 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.109 2.123 7.176 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.025 4.322 6.838 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.141 3.137 6.168 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.250 0.791 6.725 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.219 2.852 4.806 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.322 0.498 5.351 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.195 1.519 4.401 1.00 10.00 C ATOM 0 H TRP A 31 1.568 4.162 10.818 1.00 10.00 H new ATOM 0 HA TRP A 31 0.691 1.595 9.663 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.344 2.753 10.566 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.116 1.166 9.859 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.869 4.883 8.932 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.011 5.241 6.397 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.303 -0.012 7.445 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.296 3.648 4.080 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.476 -0.521 5.027 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.079 1.274 3.356 1.00 10.00 H new ATOM 477 N GLU A 32 1.227 2.066 12.873 1.00 10.00 N ATOM 478 CA GLU A 32 0.938 1.509 14.204 1.00 10.00 C ATOM 479 C GLU A 32 -0.344 0.648 14.289 1.00 10.00 C ATOM 480 O GLU A 32 -0.251 -0.557 14.535 1.00 10.00 O ATOM 481 CB GLU A 32 0.950 2.652 15.236 1.00 10.00 C ATOM 482 CG GLU A 32 2.354 2.836 15.841 1.00 10.00 C ATOM 483 CD GLU A 32 2.569 4.219 16.447 1.00 10.00 C ATOM 484 OE1 GLU A 32 1.604 4.728 17.057 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.694 4.742 16.261 1.00 10.00 O ATOM 0 H GLU A 32 1.571 3.025 12.913 1.00 10.00 H new ATOM 0 HA GLU A 32 1.729 0.795 14.431 1.00 10.00 H new ATOM 0 HB2 GLU A 32 0.631 3.579 14.760 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.234 2.438 16.029 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.513 2.080 16.610 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.102 2.665 15.067 1.00 10.00 H new ATOM 492 N PRO A 33 -1.548 1.204 14.049 1.00 10.00 N ATOM 493 CA PRO A 33 -2.800 0.455 14.140 1.00 10.00 C ATOM 494 C PRO A 33 -2.934 -0.648 13.075 1.00 10.00 C ATOM 495 O PRO A 33 -3.882 -1.429 13.108 1.00 10.00 O ATOM 496 CB PRO A 33 -3.906 1.512 14.020 1.00 10.00 C ATOM 497 CG PRO A 33 -3.258 2.619 13.190 1.00 10.00 C ATOM 498 CD PRO A 33 -1.802 2.578 13.648 1.00 10.00 C ATOM 0 HA PRO A 33 -2.855 -0.093 15.081 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.793 1.110 13.530 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -4.220 1.876 14.998 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -3.351 2.430 12.121 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.715 3.589 13.383 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -1.131 2.880 12.844 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.634 3.264 14.478 1.00 10.00 H new ATOM 506 N ARG A 34 -1.991 -0.722 12.133 1.00 10.00 N ATOM 507 CA ARG A 34 -1.964 -1.663 11.021 1.00 10.00 C ATOM 508 C ARG A 34 -1.025 -2.830 11.375 1.00 10.00 C ATOM 509 O ARG A 34 -1.385 -4.001 11.260 1.00 10.00 O ATOM 510 CB ARG A 34 -1.537 -0.873 9.765 1.00 10.00 C ATOM 511 CG ARG A 34 -2.343 0.426 9.581 1.00 10.00 C ATOM 512 CD ARG A 34 -3.741 0.122 9.052 1.00 10.00 C ATOM 513 NE ARG A 34 -4.774 1.001 9.630 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.309 2.042 8.987 1.00 10.00 C ATOM 515 NH1 ARG A 34 -4.606 2.732 8.105 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.576 2.377 9.170 1.00 10.00 N ATOM 0 H ARG A 34 -1.187 -0.094 12.129 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.937 -2.111 10.819 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.476 -0.631 9.835 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.663 -1.502 8.884 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.415 0.953 10.532 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.823 1.088 8.889 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.745 0.229 7.967 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.990 -0.916 9.271 1.00 10.00 H new ATOM 0 HE ARG A 34 -5.099 0.802 10.576 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -3.640 2.472 7.907 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -5.030 3.524 7.623 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -7.159 1.837 9.810 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.970 3.175 8.671 1.00 10.00 H new ATOM 530 N LEU A 35 0.152 -2.488 11.909 1.00 10.00 N ATOM 531 CA LEU A 35 1.199 -3.396 12.378 1.00 10.00 C ATOM 532 C LEU A 35 0.751 -4.130 13.654 1.00 10.00 C ATOM 533 O LEU A 35 1.213 -5.227 13.958 1.00 10.00 O ATOM 534 CB LEU A 35 2.482 -2.573 12.621 1.00 10.00 C ATOM 535 CG LEU A 35 3.773 -3.239 12.118 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.966 -2.308 12.363 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.038 -4.585 12.789 1.00 10.00 C ATOM 0 H LEU A 35 0.413 -1.510 12.032 1.00 10.00 H new ATOM 0 HA LEU A 35 1.397 -4.160 11.626 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.374 -1.604 12.133 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.579 -2.383 13.690 1.00 10.00 H new ATOM 0 HG LEU A 35 3.644 -3.422 11.051 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.879 -2.784 12.005 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.812 -1.371 11.828 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.057 -2.106 13.430 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.961 -5.011 12.397 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.132 -4.443 13.866 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.210 -5.263 12.584 1.00 10.00 H new ATOM 549 N ALA A 36 -0.185 -3.527 14.394 1.00 10.00 N ATOM 550 CA ALA A 36 -0.784 -4.102 15.588 1.00 10.00 C ATOM 551 C ALA A 36 -1.822 -5.151 15.191 1.00 10.00 C ATOM 552 O ALA A 36 -2.067 -6.099 15.933 1.00 10.00 O ATOM 553 CB ALA A 36 -1.425 -2.980 16.411 1.00 10.00 C ATOM 0 H ALA A 36 -0.552 -2.602 14.168 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.021 -4.593 16.193 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -1.877 -3.400 17.309 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -0.662 -2.255 16.694 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.192 -2.485 15.816 1.00 10.00 H new ATOM 559 N LYS A 37 -2.431 -4.977 14.011 1.00 10.00 N ATOM 560 CA LYS A 37 -3.319 -5.971 13.438 1.00 10.00 C ATOM 561 C LYS A 37 -2.513 -7.122 12.825 1.00 10.00 C ATOM 562 O LYS A 37 -2.746 -8.285 13.143 1.00 10.00 O ATOM 563 CB LYS A 37 -4.283 -5.313 12.438 1.00 10.00 C ATOM 564 CG LYS A 37 -5.321 -4.441 13.157 1.00 10.00 C ATOM 565 CD LYS A 37 -6.455 -5.318 13.711 1.00 10.00 C ATOM 566 CE LYS A 37 -7.220 -4.583 14.817 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.254 -5.454 15.418 1.00 10.00 N ATOM 0 H LYS A 37 -2.316 -4.143 13.436 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.933 -6.407 14.226 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.718 -4.703 11.733 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.791 -6.084 11.858 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -4.846 -3.892 13.970 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.727 -3.701 12.467 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -7.139 -5.587 12.906 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.043 -6.248 14.103 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.524 -4.254 15.588 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.687 -3.688 14.407 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -8.757 -4.932 16.164 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.930 -5.747 14.684 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -7.803 -6.296 15.829 1.00 10.00 H new ATOM 581 N GLY A 38 -1.557 -6.788 11.954 1.00 10.00 N ATOM 582 CA GLY A 38 -0.603 -7.743 11.397 1.00 10.00 C ATOM 583 C GLY A 38 0.115 -7.177 10.169 1.00 10.00 C ATOM 584 O GLY A 38 0.965 -6.302 10.287 1.00 10.00 O ATOM 0 H GLY A 38 -1.425 -5.836 11.614 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.131 -8.009 12.157 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.124 -8.660 11.123 1.00 10.00 H new ATOM 588 N VAL A 39 -0.246 -7.675 8.984 1.00 10.00 N ATOM 589 CA VAL A 39 0.295 -7.213 7.702 1.00 10.00 C ATOM 590 C VAL A 39 -0.721 -7.476 6.600 1.00 10.00 C ATOM 591 O VAL A 39 -1.269 -6.556 5.986 1.00 10.00 O ATOM 592 CB VAL A 39 1.638 -7.899 7.350 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.705 -6.823 7.192 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.119 -8.958 8.353 1.00 10.00 C ATOM 0 H VAL A 39 -0.933 -8.422 8.886 1.00 10.00 H new ATOM 0 HA VAL A 39 0.489 -6.144 7.790 1.00 10.00 H new ATOM 0 HB VAL A 39 1.464 -8.447 6.424 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.658 -7.290 6.944 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.417 -6.139 6.394 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.804 -6.269 8.126 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.067 -9.377 8.014 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.255 -8.497 9.331 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.377 -9.753 8.427 1.00 10.00 H new ATOM 604 N ASP A 40 -1.039 -8.757 6.403 1.00 10.00 N ATOM 605 CA ASP A 40 -1.845 -9.257 5.301 1.00 10.00 C ATOM 606 C ASP A 40 -3.348 -8.907 5.435 1.00 10.00 C ATOM 607 O ASP A 40 -4.214 -9.562 4.859 1.00 10.00 O ATOM 608 CB ASP A 40 -1.558 -10.764 5.171 1.00 10.00 C ATOM 609 CG ASP A 40 -0.073 -11.093 5.302 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.449 -10.981 6.432 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.571 -11.397 4.277 1.00 10.00 O ATOM 0 H ASP A 40 -0.728 -9.497 7.033 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.565 -8.758 4.373 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.115 -11.303 5.937 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.921 -11.117 4.206 1.00 10.00 H new ATOM 616 N ASN A 41 -3.653 -7.835 6.177 1.00 10.00 N ATOM 617 CA ASN A 41 -4.979 -7.332 6.514 1.00 10.00 C ATOM 618 C ASN A 41 -5.247 -6.056 5.700 1.00 10.00 C ATOM 619 O ASN A 41 -6.401 -5.699 5.473 1.00 10.00 O ATOM 620 CB ASN A 41 -5.045 -6.931 8.003 1.00 10.00 C ATOM 621 CG ASN A 41 -3.890 -7.414 8.871 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.167 -6.483 9.473 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -3.613 -8.598 8.996 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.919 -7.257 6.586 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.707 -8.115 6.300 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.092 -5.844 8.065 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.975 -7.315 8.422 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.178 -9.306 8.527 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -2.817 -8.878 9.569 1.00 10.00 H new ATOM 630 N LEU A 42 -4.180 -5.354 5.300 1.00 10.00 N ATOM 631 CA LEU A 42 -4.235 -4.136 4.505 1.00 10.00 C ATOM 632 C LEU A 42 -3.957 -4.435 3.031 1.00 10.00 C ATOM 633 O LEU A 42 -4.678 -3.946 2.163 1.00 10.00 O ATOM 634 CB LEU A 42 -3.233 -3.122 5.062 1.00 10.00 C ATOM 635 CG LEU A 42 -3.625 -2.474 6.404 1.00 10.00 C ATOM 636 CD1 LEU A 42 -5.041 -1.878 6.390 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.486 -3.447 7.579 1.00 10.00 C ATOM 0 H LEU A 42 -3.227 -5.633 5.532 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.237 -3.712 4.566 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.270 -3.618 5.185 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -3.093 -2.332 4.324 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.918 -1.656 6.542 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -5.260 -1.436 7.362 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -5.105 -1.109 5.620 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.765 -2.665 6.178 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.773 -2.945 8.503 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -4.134 -4.308 7.417 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -2.451 -3.781 7.654 1.00 10.00 H new ATOM 649 N VAL A 43 -2.969 -5.286 2.735 1.00 10.00 N ATOM 650 CA VAL A 43 -2.723 -5.778 1.377 1.00 10.00 C ATOM 651 C VAL A 43 -3.998 -6.386 0.770 1.00 10.00 C ATOM 652 O VAL A 43 -4.292 -6.198 -0.410 1.00 10.00 O ATOM 653 CB VAL A 43 -1.534 -6.756 1.382 1.00 10.00 C ATOM 654 CG1 VAL A 43 -1.937 -8.164 1.826 1.00 10.00 C ATOM 655 CG2 VAL A 43 -0.879 -6.865 0.001 1.00 10.00 C ATOM 0 H VAL A 43 -2.318 -5.652 3.430 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.452 -4.942 0.733 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.825 -6.341 2.098 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.062 -8.814 1.812 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.344 -8.124 2.837 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.693 -8.558 1.146 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.045 -7.565 0.048 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.612 -7.223 -0.722 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.514 -5.885 -0.307 1.00 10.00 H new ATOM 665 N LYS A 44 -4.828 -7.055 1.585 1.00 10.00 N ATOM 666 CA LYS A 44 -6.127 -7.488 1.089 1.00 10.00 C ATOM 667 C LYS A 44 -6.998 -6.312 0.624 1.00 10.00 C ATOM 668 O LYS A 44 -7.621 -6.372 -0.434 1.00 10.00 O ATOM 669 CB LYS A 44 -6.859 -8.410 2.071 1.00 10.00 C ATOM 670 CG LYS A 44 -6.912 -7.819 3.477 1.00 10.00 C ATOM 671 CD LYS A 44 -8.136 -8.282 4.270 1.00 10.00 C ATOM 672 CE LYS A 44 -9.285 -7.294 4.031 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.544 -7.744 4.660 1.00 10.00 N ATOM 0 H LYS A 44 -4.627 -7.298 2.555 1.00 10.00 H new ATOM 0 HA LYS A 44 -5.928 -8.091 0.203 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.873 -8.588 1.714 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -6.358 -9.377 2.103 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.008 -8.098 4.018 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.919 -6.731 3.409 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -8.430 -9.284 3.959 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -7.899 -8.335 5.333 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -9.011 -6.317 4.428 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.440 -7.171 2.959 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.293 -7.047 4.474 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -10.821 -8.665 4.263 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.405 -7.837 5.686 1.00 10.00 H new ATOM 687 N SER A 45 -7.032 -5.226 1.396 1.00 10.00 N ATOM 688 CA SER A 45 -7.868 -4.074 1.105 1.00 10.00 C ATOM 689 C SER A 45 -7.314 -3.290 -0.089 1.00 10.00 C ATOM 690 O SER A 45 -8.077 -2.769 -0.901 1.00 10.00 O ATOM 691 CB SER A 45 -7.991 -3.222 2.366 1.00 10.00 C ATOM 692 OG SER A 45 -8.446 -4.024 3.442 1.00 10.00 O ATOM 0 H SER A 45 -6.475 -5.126 2.245 1.00 10.00 H new ATOM 0 HA SER A 45 -8.868 -4.397 0.817 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.026 -2.779 2.613 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.685 -2.399 2.194 1.00 10.00 H new ATOM 0 HG SER A 45 -7.678 -4.435 3.891 1.00 10.00 H new ATOM 698 N VAL A 46 -5.986 -3.253 -0.238 1.00 10.00 N ATOM 699 CA VAL A 46 -5.347 -2.677 -1.413 1.00 10.00 C ATOM 700 C VAL A 46 -5.818 -3.367 -2.692 1.00 10.00 C ATOM 701 O VAL A 46 -6.237 -2.711 -3.645 1.00 10.00 O ATOM 702 CB VAL A 46 -3.812 -2.656 -1.239 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.019 -3.660 -2.086 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.296 -1.293 -1.670 1.00 10.00 C ATOM 0 H VAL A 46 -5.331 -3.621 0.452 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.655 -1.636 -1.516 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.660 -2.909 -0.190 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -1.955 -3.551 -1.878 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.335 -4.674 -1.839 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.203 -3.470 -3.143 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.213 -1.261 -1.554 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.554 -1.120 -2.715 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.751 -0.519 -1.051 1.00 10.00 H new ATOM 714 N LYS A 47 -5.821 -4.701 -2.687 1.00 10.00 N ATOM 715 CA LYS A 47 -6.313 -5.452 -3.833 1.00 10.00 C ATOM 716 C LYS A 47 -7.825 -5.258 -4.034 1.00 10.00 C ATOM 717 O LYS A 47 -8.315 -5.267 -5.158 1.00 10.00 O ATOM 718 CB LYS A 47 -5.825 -6.904 -3.759 1.00 10.00 C ATOM 719 CG LYS A 47 -6.829 -7.927 -3.209 1.00 10.00 C ATOM 720 CD LYS A 47 -6.149 -8.834 -2.181 1.00 10.00 C ATOM 721 CE LYS A 47 -5.644 -10.172 -2.737 1.00 10.00 C ATOM 722 NZ LYS A 47 -4.885 -10.947 -1.718 1.00 10.00 N ATOM 0 H LYS A 47 -5.492 -5.274 -1.910 1.00 10.00 H new ATOM 0 HA LYS A 47 -5.886 -5.054 -4.753 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -5.529 -7.218 -4.760 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -4.930 -6.934 -3.138 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -7.671 -7.410 -2.748 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.232 -8.527 -4.025 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.307 -8.297 -1.744 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -6.852 -9.035 -1.373 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -6.491 -10.763 -3.085 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -5.007 -9.988 -3.602 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -4.562 -11.844 -2.134 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -4.062 -10.394 -1.404 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -5.500 -11.145 -0.903 1.00 10.00 H new ATOM 736 N THR A 48 -8.559 -5.041 -2.937 1.00 10.00 N ATOM 737 CA THR A 48 -10.009 -4.825 -2.968 1.00 10.00 C ATOM 738 C THR A 48 -10.412 -3.440 -3.499 1.00 10.00 C ATOM 739 O THR A 48 -11.435 -3.323 -4.167 1.00 10.00 O ATOM 740 CB THR A 48 -10.633 -5.121 -1.585 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.625 -6.114 -1.713 1.00 10.00 O ATOM 742 CG2 THR A 48 -11.286 -3.932 -0.872 1.00 10.00 C ATOM 0 H THR A 48 -8.161 -5.010 -1.998 1.00 10.00 H new ATOM 0 HA THR A 48 -10.417 -5.535 -3.688 1.00 10.00 H new ATOM 0 HB THR A 48 -9.783 -5.429 -0.976 1.00 10.00 H new ATOM 0 HG1 THR A 48 -12.017 -6.300 -0.834 1.00 10.00 H new ATOM 0 HG21 THR A 48 -11.689 -4.259 0.087 1.00 10.00 H new ATOM 0 HG22 THR A 48 -10.541 -3.153 -0.706 1.00 10.00 H new ATOM 0 HG23 THR A 48 -12.093 -3.537 -1.489 1.00 10.00 H new ATOM 750 N GLY A 49 -9.639 -2.386 -3.201 1.00 10.00 N ATOM 751 CA GLY A 49 -10.073 -1.011 -3.420 1.00 10.00 C ATOM 752 C GLY A 49 -10.929 -0.508 -2.257 1.00 10.00 C ATOM 753 O GLY A 49 -12.063 -0.939 -2.065 1.00 10.00 O ATOM 0 H GLY A 49 -8.703 -2.468 -2.804 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.202 -0.367 -3.539 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.643 -0.950 -4.347 1.00 10.00 H new ATOM 757 N LEU A 50 -10.367 0.408 -1.473 1.00 10.00 N ATOM 758 CA LEU A 50 -11.089 1.176 -0.462 1.00 10.00 C ATOM 759 C LEU A 50 -11.934 2.275 -1.164 1.00 10.00 C ATOM 760 O LEU A 50 -12.296 2.119 -2.325 1.00 10.00 O ATOM 761 CB LEU A 50 -10.036 1.665 0.555 1.00 10.00 C ATOM 762 CG LEU A 50 -10.358 1.461 2.048 1.00 10.00 C ATOM 763 CD1 LEU A 50 -11.569 2.250 2.528 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.520 -0.017 2.406 1.00 10.00 C ATOM 0 H LEU A 50 -9.376 0.642 -1.524 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.823 0.598 0.100 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.095 1.158 0.339 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.871 2.729 0.386 1.00 10.00 H new ATOM 0 HG LEU A 50 -9.490 1.857 2.574 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -11.733 2.055 3.588 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -11.392 3.315 2.378 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -12.449 1.945 1.962 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.746 -0.111 3.468 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -11.335 -0.446 1.822 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.595 -0.549 2.183 1.00 10.00 H new ATOM 776 N ASN A 51 -12.279 3.396 -0.516 1.00 10.00 N ATOM 777 CA ASN A 51 -13.176 4.387 -1.148 1.00 10.00 C ATOM 778 C ASN A 51 -12.462 5.165 -2.259 1.00 10.00 C ATOM 779 O ASN A 51 -12.779 5.056 -3.439 1.00 10.00 O ATOM 780 CB ASN A 51 -13.766 5.364 -0.118 1.00 10.00 C ATOM 781 CG ASN A 51 -14.173 4.641 1.147 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.326 4.738 2.159 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.182 3.953 1.208 1.00 10.00 N flip ATOM 0 H ASN A 51 -11.963 3.641 0.422 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.997 3.824 -1.592 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.032 6.134 0.120 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.631 5.870 -0.546 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.813 3.901 0.408 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.393 3.431 2.059 1.00 10.00 H new ATOM 790 N ALA A 52 -11.475 5.964 -1.848 1.00 10.00 N ATOM 791 CA ALA A 52 -10.591 6.702 -2.739 1.00 10.00 C ATOM 792 C ALA A 52 -9.594 5.776 -3.448 1.00 10.00 C ATOM 793 O ALA A 52 -9.035 6.139 -4.480 1.00 10.00 O ATOM 794 CB ALA A 52 -9.848 7.749 -1.909 1.00 10.00 C ATOM 0 H ALA A 52 -11.267 6.116 -0.861 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.185 7.180 -3.518 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.178 8.317 -2.555 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.568 8.426 -1.448 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.268 7.252 -1.131 1.00 10.00 H new ATOM 800 N MET A 53 -9.347 4.589 -2.882 1.00 10.00 N ATOM 801 CA MET A 53 -8.410 3.634 -3.469 1.00 10.00 C ATOM 802 C MET A 53 -9.064 2.754 -4.548 1.00 10.00 C ATOM 803 O MET A 53 -10.050 2.079 -4.260 1.00 10.00 O ATOM 804 CB MET A 53 -7.823 2.766 -2.360 1.00 10.00 C ATOM 805 CG MET A 53 -6.734 3.502 -1.578 1.00 10.00 C ATOM 806 SD MET A 53 -5.233 2.516 -1.430 1.00 10.00 S ATOM 807 CE MET A 53 -5.848 1.308 -0.231 1.00 10.00 C ATOM 0 H MET A 53 -9.785 4.270 -2.018 1.00 10.00 H new ATOM 0 HA MET A 53 -7.620 4.199 -3.964 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.617 2.461 -1.678 1.00 10.00 H new ATOM 0 HB3 MET A 53 -7.408 1.856 -2.792 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.503 4.444 -2.076 1.00 10.00 H new ATOM 0 HG3 MET A 53 -7.105 3.750 -0.584 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.008 0.764 0.201 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.391 1.825 0.560 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.516 0.607 -0.731 1.00 10.00 H new ATOM 817 N PRO A 54 -8.520 2.702 -5.776 1.00 10.00 N ATOM 818 CA PRO A 54 -9.093 1.893 -6.841 1.00 10.00 C ATOM 819 C PRO A 54 -8.915 0.391 -6.556 1.00 10.00 C ATOM 820 O PRO A 54 -7.939 -0.005 -5.909 1.00 10.00 O ATOM 821 CB PRO A 54 -8.365 2.336 -8.114 1.00 10.00 C ATOM 822 CG PRO A 54 -6.996 2.776 -7.595 1.00 10.00 C ATOM 823 CD PRO A 54 -7.314 3.380 -6.230 1.00 10.00 C ATOM 0 HA PRO A 54 -10.169 2.036 -6.935 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.281 1.522 -8.834 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.888 3.151 -8.614 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.308 1.935 -7.512 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.530 3.505 -8.258 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.491 3.227 -5.532 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.473 4.456 -6.304 1.00 10.00 H new ATOM 831 N PRO A 55 -9.843 -0.455 -7.037 1.00 10.00 N ATOM 832 CA PRO A 55 -9.788 -1.897 -6.844 1.00 10.00 C ATOM 833 C PRO A 55 -8.519 -2.454 -7.474 1.00 10.00 C ATOM 834 O PRO A 55 -8.340 -2.341 -8.685 1.00 10.00 O ATOM 835 CB PRO A 55 -11.076 -2.445 -7.465 1.00 10.00 C ATOM 836 CG PRO A 55 -11.425 -1.409 -8.532 1.00 10.00 C ATOM 837 CD PRO A 55 -10.959 -0.098 -7.899 1.00 10.00 C ATOM 0 HA PRO A 55 -9.738 -2.191 -5.796 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.924 -3.433 -7.899 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.870 -2.541 -6.724 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -10.911 -1.609 -9.472 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.493 -1.396 -8.749 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.652 0.618 -8.661 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.762 0.369 -7.328 1.00 10.00 H new ATOM 845 N GLY A 56 -7.610 -3.000 -6.652 1.00 10.00 N ATOM 846 CA GLY A 56 -6.328 -3.469 -7.149 1.00 10.00 C ATOM 847 C GLY A 56 -5.200 -2.439 -7.004 1.00 10.00 C ATOM 848 O GLY A 56 -4.116 -2.625 -7.556 1.00 10.00 O ATOM 0 H GLY A 56 -7.747 -3.123 -5.649 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.050 -4.377 -6.614 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.431 -3.737 -8.200 1.00 10.00 H new ATOM 852 N GLY A 57 -5.425 -1.343 -6.264 1.00 10.00 N ATOM 853 CA GLY A 57 -4.392 -0.351 -5.975 1.00 10.00 C ATOM 854 C GLY A 57 -3.558 0.032 -7.207 1.00 10.00 C ATOM 855 O GLY A 57 -2.334 -0.079 -7.184 1.00 10.00 O ATOM 0 H GLY A 57 -6.332 -1.124 -5.851 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.862 0.545 -5.569 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.729 -0.741 -5.203 1.00 10.00 H new ATOM 859 N MET A 58 -4.237 0.438 -8.289 1.00 10.00 N ATOM 860 CA MET A 58 -3.681 0.792 -9.598 1.00 10.00 C ATOM 861 C MET A 58 -3.431 -0.441 -10.488 1.00 10.00 C ATOM 862 O MET A 58 -3.741 -0.419 -11.677 1.00 10.00 O ATOM 863 CB MET A 58 -2.443 1.683 -9.429 1.00 10.00 C ATOM 864 CG MET A 58 -2.266 2.742 -10.523 1.00 10.00 C ATOM 865 SD MET A 58 -1.702 2.186 -12.152 1.00 10.00 S ATOM 866 CE MET A 58 -3.213 2.417 -13.108 1.00 10.00 C ATOM 0 H MET A 58 -5.252 0.533 -8.270 1.00 10.00 H new ATOM 0 HA MET A 58 -4.427 1.376 -10.137 1.00 10.00 H new ATOM 0 HB2 MET A 58 -2.501 2.184 -8.463 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.556 1.050 -9.407 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.221 3.251 -10.655 1.00 10.00 H new ATOM 0 HG3 MET A 58 -1.557 3.485 -10.158 1.00 10.00 H new ATOM 0 HE1 MET A 58 -3.103 1.943 -14.083 1.00 10.00 H new ATOM 0 HE2 MET A 58 -4.052 1.966 -12.578 1.00 10.00 H new ATOM 0 HE3 MET A 58 -3.400 3.483 -13.242 1.00 10.00 H new ATOM 876 N CYS A 59 -2.919 -1.534 -9.917 1.00 10.00 N ATOM 877 CA CYS A 59 -2.747 -2.800 -10.626 1.00 10.00 C ATOM 878 C CYS A 59 -4.084 -3.560 -10.724 1.00 10.00 C ATOM 879 O CYS A 59 -5.104 -3.129 -10.191 1.00 10.00 O ATOM 880 CB CYS A 59 -1.687 -3.616 -9.871 1.00 10.00 C ATOM 881 SG CYS A 59 -1.033 -5.092 -10.694 1.00 10.00 S ATOM 0 H CYS A 59 -2.611 -1.564 -8.945 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.416 -2.623 -11.649 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.849 -2.956 -9.647 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -2.115 -3.923 -8.917 1.00 10.00 H new ATOM 886 N THR A 60 -4.085 -4.701 -11.412 1.00 10.00 N ATOM 887 CA THR A 60 -5.168 -5.681 -11.404 1.00 10.00 C ATOM 888 C THR A 60 -4.582 -7.042 -11.012 1.00 10.00 C ATOM 889 O THR A 60 -4.711 -7.488 -9.871 1.00 10.00 O ATOM 890 CB THR A 60 -5.828 -5.714 -12.791 1.00 10.00 C ATOM 891 OG1 THR A 60 -4.841 -5.890 -13.790 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.542 -4.389 -13.076 1.00 10.00 C ATOM 0 H THR A 60 -3.306 -4.977 -12.010 1.00 10.00 H new ATOM 0 HA THR A 60 -5.938 -5.416 -10.680 1.00 10.00 H new ATOM 0 HB THR A 60 -6.542 -6.537 -12.803 1.00 10.00 H new ATOM 0 HG1 THR A 60 -5.268 -5.912 -14.672 1.00 10.00 H new ATOM 0 HG21 THR A 60 -7.004 -4.429 -14.062 1.00 10.00 H new ATOM 0 HG22 THR A 60 -7.311 -4.220 -12.322 1.00 10.00 H new ATOM 0 HG23 THR A 60 -5.820 -3.573 -13.047 1.00 10.00 H new ATOM 900 N ASP A 61 -3.850 -7.656 -11.939 1.00 10.00 N ATOM 901 CA ASP A 61 -3.207 -8.953 -11.817 1.00 10.00 C ATOM 902 C ASP A 61 -1.901 -8.832 -11.010 1.00 10.00 C ATOM 903 O ASP A 61 -0.816 -9.168 -11.486 1.00 10.00 O ATOM 904 CB ASP A 61 -2.986 -9.505 -13.237 1.00 10.00 C ATOM 905 CG ASP A 61 -4.267 -9.934 -13.943 1.00 10.00 C ATOM 906 OD1 ASP A 61 -5.267 -9.189 -13.847 1.00 10.00 O ATOM 907 OD2 ASP A 61 -4.206 -10.997 -14.596 1.00 10.00 O ATOM 0 H ASP A 61 -3.682 -7.230 -12.851 1.00 10.00 H new ATOM 0 HA ASP A 61 -3.834 -9.653 -11.266 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.490 -8.743 -13.838 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -2.310 -10.359 -13.183 1.00 10.00 H new ATOM 912 N CYS A 62 -2.020 -8.355 -9.767 1.00 10.00 N ATOM 913 CA CYS A 62 -0.944 -8.362 -8.778 1.00 10.00 C ATOM 914 C CYS A 62 -1.190 -9.362 -7.642 1.00 10.00 C ATOM 915 O CYS A 62 -2.318 -9.545 -7.189 1.00 10.00 O ATOM 916 CB CYS A 62 -0.681 -6.959 -8.221 1.00 10.00 C ATOM 917 SG CYS A 62 0.302 -5.855 -9.260 1.00 10.00 S ATOM 0 H CYS A 62 -2.886 -7.945 -9.416 1.00 10.00 H new ATOM 0 HA CYS A 62 -0.049 -8.693 -9.306 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.642 -6.482 -8.029 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.178 -7.062 -7.260 1.00 10.00 H new ATOM 922 N THR A 63 -0.101 -9.982 -7.174 1.00 10.00 N ATOM 923 CA THR A 63 -0.090 -10.990 -6.116 1.00 10.00 C ATOM 924 C THR A 63 0.886 -10.576 -5.011 1.00 10.00 C ATOM 925 O THR A 63 1.869 -9.873 -5.263 1.00 10.00 O ATOM 926 CB THR A 63 0.283 -12.353 -6.721 1.00 10.00 C ATOM 927 OG1 THR A 63 -0.686 -12.721 -7.675 1.00 10.00 O ATOM 928 CG2 THR A 63 0.345 -13.487 -5.694 1.00 10.00 C ATOM 0 H THR A 63 0.831 -9.785 -7.538 1.00 10.00 H new ATOM 0 HA THR A 63 -1.080 -11.073 -5.667 1.00 10.00 H new ATOM 0 HB THR A 63 1.276 -12.225 -7.153 1.00 10.00 H new ATOM 0 HG1 THR A 63 -0.449 -13.589 -8.063 1.00 10.00 H new ATOM 0 HG21 THR A 63 0.614 -14.417 -6.195 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.094 -13.252 -4.938 1.00 10.00 H new ATOM 0 HG23 THR A 63 -0.629 -13.600 -5.217 1.00 10.00 H new ATOM 936 N ASP A 64 0.606 -11.005 -3.777 1.00 10.00 N ATOM 937 CA ASP A 64 1.379 -10.750 -2.572 1.00 10.00 C ATOM 938 C ASP A 64 2.910 -10.803 -2.761 1.00 10.00 C ATOM 939 O ASP A 64 3.611 -9.946 -2.231 1.00 10.00 O ATOM 940 CB ASP A 64 0.810 -11.675 -1.498 1.00 10.00 C ATOM 941 CG ASP A 64 -0.494 -11.095 -0.948 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.564 -11.356 -1.550 1.00 10.00 O ATOM 943 OD2 ASP A 64 -0.385 -10.339 0.039 1.00 10.00 O ATOM 0 H ASP A 64 -0.219 -11.574 -3.588 1.00 10.00 H new ATOM 0 HA ASP A 64 1.267 -9.713 -2.257 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.630 -12.665 -1.917 1.00 10.00 H new ATOM 0 HB3 ASP A 64 1.533 -11.797 -0.691 1.00 10.00 H new ATOM 948 N GLU A 65 3.424 -11.729 -3.576 1.00 10.00 N ATOM 949 CA GLU A 65 4.816 -11.755 -4.046 1.00 10.00 C ATOM 950 C GLU A 65 5.431 -10.357 -4.297 1.00 10.00 C ATOM 951 O GLU A 65 6.465 -10.040 -3.713 1.00 10.00 O ATOM 952 CB GLU A 65 4.924 -12.688 -5.266 1.00 10.00 C ATOM 953 CG GLU A 65 4.194 -12.160 -6.512 1.00 10.00 C ATOM 954 CD GLU A 65 4.013 -13.228 -7.581 1.00 10.00 C ATOM 955 OE1 GLU A 65 3.019 -13.976 -7.456 1.00 10.00 O ATOM 956 OE2 GLU A 65 4.858 -13.267 -8.499 1.00 10.00 O ATOM 0 H GLU A 65 2.869 -12.504 -3.938 1.00 10.00 H new ATOM 0 HA GLU A 65 5.427 -12.156 -3.238 1.00 10.00 H new ATOM 0 HB2 GLU A 65 5.977 -12.836 -5.507 1.00 10.00 H new ATOM 0 HB3 GLU A 65 4.517 -13.664 -5.003 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.217 -11.774 -6.220 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.755 -11.324 -6.930 1.00 10.00 H new ATOM 963 N ASP A 66 4.766 -9.514 -5.101 1.00 10.00 N ATOM 964 CA ASP A 66 5.101 -8.102 -5.320 1.00 10.00 C ATOM 965 C ASP A 66 4.227 -7.132 -4.494 1.00 10.00 C ATOM 966 O ASP A 66 4.670 -6.034 -4.161 1.00 10.00 O ATOM 967 CB ASP A 66 5.134 -7.769 -6.835 1.00 10.00 C ATOM 968 CG ASP A 66 6.513 -7.571 -7.471 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.537 -7.879 -6.823 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.516 -7.037 -8.603 1.00 10.00 O ATOM 0 H ASP A 66 3.950 -9.810 -5.636 1.00 10.00 H new ATOM 0 HA ASP A 66 6.110 -7.946 -4.938 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.626 -8.571 -7.370 1.00 10.00 H new ATOM 0 HB3 ASP A 66 4.553 -6.861 -6.995 1.00 10.00 H new ATOM 975 N TYR A 67 2.995 -7.508 -4.121 1.00 10.00 N ATOM 976 CA TYR A 67 2.079 -6.611 -3.407 1.00 10.00 C ATOM 977 C TYR A 67 2.567 -6.367 -1.978 1.00 10.00 C ATOM 978 O TYR A 67 2.675 -5.238 -1.501 1.00 10.00 O ATOM 979 CB TYR A 67 0.674 -7.240 -3.356 1.00 10.00 C ATOM 980 CG TYR A 67 -0.424 -6.590 -4.161 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.574 -5.192 -4.190 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.413 -7.413 -4.732 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.629 -4.622 -4.921 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.507 -6.841 -5.394 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.602 -5.449 -5.499 1.00 10.00 C ATOM 986 OH TYR A 67 -3.654 -4.912 -6.153 1.00 10.00 O ATOM 0 H TYR A 67 2.609 -8.434 -4.304 1.00 10.00 H new ATOM 0 HA TYR A 67 2.045 -5.660 -3.939 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.760 -8.276 -3.684 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.356 -7.261 -2.314 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.118 -4.560 -3.653 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.328 -8.487 -4.660 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.690 -3.550 -5.037 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.273 -7.471 -5.821 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.356 -4.133 -6.667 1.00 10.00 H new ATOM 996 N LYS A 68 2.864 -7.460 -1.283 1.00 10.00 N ATOM 997 CA LYS A 68 3.348 -7.440 0.078 1.00 10.00 C ATOM 998 C LYS A 68 4.739 -6.829 0.097 1.00 10.00 C ATOM 999 O LYS A 68 4.966 -5.879 0.830 1.00 10.00 O ATOM 1000 CB LYS A 68 3.346 -8.855 0.647 1.00 10.00 C ATOM 1001 CG LYS A 68 3.708 -8.808 2.127 1.00 10.00 C ATOM 1002 CD LYS A 68 3.522 -10.210 2.707 1.00 10.00 C ATOM 1003 CE LYS A 68 3.750 -10.197 4.225 1.00 10.00 C ATOM 1004 NZ LYS A 68 3.154 -11.391 4.859 1.00 10.00 N ATOM 0 H LYS A 68 2.770 -8.401 -1.665 1.00 10.00 H new ATOM 0 HA LYS A 68 2.696 -6.832 0.705 1.00 10.00 H new ATOM 0 HB2 LYS A 68 2.364 -9.310 0.516 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.060 -9.477 0.107 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.738 -8.476 2.256 1.00 10.00 H new ATOM 0 HG3 LYS A 68 3.075 -8.092 2.651 1.00 10.00 H new ATOM 0 HD2 LYS A 68 2.517 -10.571 2.487 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.220 -10.901 2.234 1.00 10.00 H new ATOM 0 HE2 LYS A 68 4.819 -10.164 4.436 1.00 10.00 H new ATOM 0 HE3 LYS A 68 3.312 -9.296 4.655 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 3.093 -11.244 5.887 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 2.201 -11.549 4.474 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 3.749 -12.221 4.663 1.00 10.00 H new ATOM 1018 N ALA A 69 5.636 -7.324 -0.759 1.00 10.00 N ATOM 1019 CA ALA A 69 6.967 -6.757 -0.961 1.00 10.00 C ATOM 1020 C ALA A 69 6.958 -5.230 -1.188 1.00 10.00 C ATOM 1021 O ALA A 69 7.935 -4.559 -0.879 1.00 10.00 O ATOM 1022 CB ALA A 69 7.651 -7.520 -2.091 1.00 10.00 C ATOM 0 H ALA A 69 5.453 -8.143 -1.339 1.00 10.00 H new ATOM 0 HA ALA A 69 7.541 -6.880 -0.043 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.647 -7.110 -2.256 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.732 -8.573 -1.822 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.063 -7.423 -3.004 1.00 10.00 H new ATOM 1028 N ALA A 70 5.857 -4.665 -1.700 1.00 10.00 N ATOM 1029 CA ALA A 70 5.699 -3.232 -1.975 1.00 10.00 C ATOM 1030 C ALA A 70 5.276 -2.482 -0.709 1.00 10.00 C ATOM 1031 O ALA A 70 5.738 -1.378 -0.428 1.00 10.00 O ATOM 1032 CB ALA A 70 4.672 -3.045 -3.099 1.00 10.00 C ATOM 0 H ALA A 70 5.028 -5.208 -1.941 1.00 10.00 H new ATOM 0 HA ALA A 70 6.654 -2.816 -2.296 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.550 -1.982 -3.308 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.020 -3.554 -3.998 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.715 -3.466 -2.791 1.00 10.00 H new ATOM 1038 N ILE A 71 4.396 -3.108 0.067 1.00 10.00 N ATOM 1039 CA ILE A 71 3.888 -2.612 1.340 1.00 10.00 C ATOM 1040 C ILE A 71 4.950 -2.700 2.453 1.00 10.00 C ATOM 1041 O ILE A 71 5.207 -1.740 3.182 1.00 10.00 O ATOM 1042 CB ILE A 71 2.556 -3.348 1.605 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.444 -2.488 0.981 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.354 -3.774 3.069 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.121 -3.220 0.762 1.00 10.00 C ATOM 0 H ILE A 71 4.001 -4.014 -0.186 1.00 10.00 H new ATOM 0 HA ILE A 71 3.674 -1.544 1.315 1.00 10.00 H new ATOM 0 HB ILE A 71 2.546 -4.325 1.122 1.00 10.00 H new ATOM 0 HG12 ILE A 71 1.265 -1.626 1.624 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.794 -2.104 0.023 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.396 -4.284 3.171 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.157 -4.448 3.366 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.366 -2.892 3.709 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.604 -2.537 0.319 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.279 -4.065 0.092 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.258 -3.581 1.718 1.00 10.00 H new ATOM 1057 N GLU A 72 5.629 -3.840 2.547 1.00 10.00 N ATOM 1058 CA GLU A 72 6.706 -4.081 3.497 1.00 10.00 C ATOM 1059 C GLU A 72 7.933 -3.206 3.234 1.00 10.00 C ATOM 1060 O GLU A 72 8.604 -2.801 4.182 1.00 10.00 O ATOM 1061 CB GLU A 72 6.978 -5.583 3.640 1.00 10.00 C ATOM 1062 CG GLU A 72 7.629 -6.200 2.401 1.00 10.00 C ATOM 1063 CD GLU A 72 9.075 -6.604 2.641 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.917 -5.684 2.689 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.293 -7.821 2.822 1.00 10.00 O ATOM 0 H GLU A 72 5.438 -4.642 1.947 1.00 10.00 H new ATOM 0 HA GLU A 72 6.382 -3.754 4.485 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.625 -5.748 4.502 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.039 -6.098 3.843 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.057 -7.075 2.092 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.587 -5.486 1.579 1.00 10.00 H new ATOM 1072 N PHE A 73 8.122 -2.789 1.976 1.00 10.00 N ATOM 1073 CA PHE A 73 9.112 -1.779 1.612 1.00 10.00 C ATOM 1074 C PHE A 73 8.981 -0.473 2.422 1.00 10.00 C ATOM 1075 O PHE A 73 9.967 0.236 2.609 1.00 10.00 O ATOM 1076 CB PHE A 73 9.005 -1.507 0.106 1.00 10.00 C ATOM 1077 CG PHE A 73 10.299 -1.077 -0.551 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.711 0.267 -0.523 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.083 -2.035 -1.222 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.863 0.663 -1.229 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.235 -1.639 -1.924 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.608 -0.285 -1.952 1.00 10.00 C ATOM 0 H PHE A 73 7.589 -3.146 1.183 1.00 10.00 H new ATOM 0 HA PHE A 73 10.098 -2.173 1.858 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.645 -2.409 -0.388 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.255 -0.733 -0.058 1.00 10.00 H new ATOM 0 HD1 PHE A 73 10.145 0.995 0.039 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.799 -3.077 -1.197 1.00 10.00 H new ATOM 0 HE1 PHE A 73 12.175 1.697 -1.215 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.833 -2.375 -2.441 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.466 0.027 -2.528 1.00 10.00 H new ATOM 1092 N MET A 74 7.768 -0.130 2.885 1.00 10.00 N ATOM 1093 CA MET A 74 7.511 1.076 3.670 1.00 10.00 C ATOM 1094 C MET A 74 7.719 0.842 5.174 1.00 10.00 C ATOM 1095 O MET A 74 8.730 1.254 5.738 1.00 10.00 O ATOM 1096 CB MET A 74 6.097 1.579 3.357 1.00 10.00 C ATOM 1097 CG MET A 74 6.073 2.311 2.003 1.00 10.00 C ATOM 1098 SD MET A 74 4.469 2.898 1.385 1.00 10.00 S ATOM 1099 CE MET A 74 3.703 1.376 0.785 1.00 10.00 C ATOM 0 H MET A 74 6.933 -0.692 2.720 1.00 10.00 H new ATOM 0 HA MET A 74 8.233 1.843 3.389 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.402 0.739 3.336 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.761 2.251 4.146 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.739 3.171 2.075 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.496 1.642 1.253 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.491 1.471 -0.280 1.00 10.00 H new ATOM 0 HE2 MET A 74 4.382 0.539 0.947 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.773 1.199 1.325 1.00 10.00 H new ATOM 1109 N SER A 75 6.748 0.207 5.841 1.00 10.00 N ATOM 1110 CA SER A 75 6.860 -0.148 7.261 1.00 10.00 C ATOM 1111 C SER A 75 5.996 -1.370 7.608 1.00 10.00 C ATOM 1112 O SER A 75 5.399 -1.441 8.679 1.00 10.00 O ATOM 1113 CB SER A 75 6.546 1.071 8.145 1.00 10.00 C ATOM 1114 OG SER A 75 7.030 0.867 9.461 1.00 10.00 O ATOM 0 H SER A 75 5.866 -0.074 5.414 1.00 10.00 H new ATOM 0 HA SER A 75 7.890 -0.440 7.465 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.002 1.964 7.718 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.470 1.243 8.169 1.00 10.00 H new ATOM 0 HG SER A 75 6.719 -0.001 9.793 1.00 10.00 H new ATOM 1120 N LYS A 76 5.934 -2.339 6.683 1.00 10.00 N ATOM 1121 CA LYS A 76 5.271 -3.639 6.824 1.00 10.00 C ATOM 1122 C LYS A 76 4.021 -3.632 7.702 1.00 10.00 C ATOM 1123 O LYS A 76 3.987 -4.263 8.754 1.00 10.00 O ATOM 1124 CB LYS A 76 6.300 -4.728 7.177 1.00 10.00 C ATOM 1125 CG LYS A 76 7.091 -4.505 8.477 1.00 10.00 C ATOM 1126 CD LYS A 76 8.282 -5.476 8.561 1.00 10.00 C ATOM 1127 CE LYS A 76 7.840 -6.925 8.818 1.00 10.00 C ATOM 1128 NZ LYS A 76 8.980 -7.860 8.707 1.00 10.00 N ATOM 0 H LYS A 76 6.370 -2.228 5.767 1.00 10.00 H new ATOM 0 HA LYS A 76 4.855 -3.892 5.849 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.780 -5.683 7.250 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.008 -4.813 6.353 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.450 -3.477 8.519 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.436 -4.649 9.336 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.850 -5.432 7.631 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.952 -5.157 9.359 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.398 -7.002 9.812 1.00 10.00 H new ATOM 0 HE3 LYS A 76 7.066 -7.204 8.103 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 8.652 -8.831 8.885 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 9.385 -7.802 7.751 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 9.706 -7.606 9.407 1.00 10.00 H new ATOM 1142 N ALA A 77 2.984 -2.931 7.229 1.00 10.00 N ATOM 1143 CA ALA A 77 1.738 -2.765 7.967 1.00 10.00 C ATOM 1144 C ALA A 77 0.553 -2.364 7.080 1.00 10.00 C ATOM 1145 O ALA A 77 -0.492 -3.004 7.115 1.00 10.00 O ATOM 1146 CB ALA A 77 1.954 -1.748 9.089 1.00 10.00 C ATOM 0 H ALA A 77 2.991 -2.464 6.322 1.00 10.00 H new ATOM 0 HA ALA A 77 1.471 -3.735 8.386 1.00 10.00 H new ATOM 0 HB1 ALA A 77 1.026 -1.618 9.646 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.733 -2.108 9.761 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.257 -0.793 8.661 1.00 10.00 H new ATOM 1152 N LYS A 78 0.720 -1.285 6.312 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.271 -0.715 5.394 1.00 10.00 C ATOM 1154 C LYS A 78 0.353 -0.391 4.029 1.00 10.00 C ATOM 1155 O LYS A 78 1.427 -0.947 3.753 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.951 0.491 6.072 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.185 1.831 6.004 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.866 2.862 5.080 1.00 10.00 C ATOM 1159 CE LYS A 78 0.123 3.613 4.176 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.653 2.722 3.128 1.00 10.00 N ATOM 1161 OXT LYS A 78 -0.198 0.446 3.280 1.00 10.00 O ATOM 0 H LYS A 78 1.593 -0.758 6.313 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.049 -1.448 5.179 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.931 0.633 5.617 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.119 0.245 7.120 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.102 2.248 7.008 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.829 1.647 5.650 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.601 2.352 4.458 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.410 3.583 5.690 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.374 4.467 3.716 1.00 10.00 H new ATOM 0 HE3 LYS A 78 0.944 4.006 4.775 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 1.641 2.481 3.344 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.084 1.852 3.092 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.608 3.204 2.207 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.590 3.967 -0.575 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.381 4.375 2.392 1.00 10.00 C HETATM 1178 CHB HEC A 90 -1.922 1.233 0.760 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.169 3.436 -3.652 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.100 6.913 -1.792 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.667 2.970 1.227 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.507 3.289 2.260 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.311 2.294 3.279 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.429 1.361 2.780 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.917 1.864 1.531 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.290 -0.059 3.246 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.906 2.336 4.664 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.390 1.954 4.721 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.939 2.169 6.122 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.732 3.282 6.657 1.00 10.00 O HETATM 1191 O2A HEC A 90 -7.485 1.201 6.685 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.240 2.610 -1.300 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.649 1.618 -0.563 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.667 0.993 -1.414 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.816 1.533 -2.678 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.788 2.599 -2.585 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.332 -0.059 -0.977 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.085 1.103 -3.936 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.419 -0.333 -4.364 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.661 4.983 -2.424 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.019 4.547 -3.538 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.334 5.471 -4.609 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.122 6.478 -4.071 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.337 6.143 -2.679 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.863 5.350 -6.046 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.634 7.759 -4.733 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.419 7.935 -6.242 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.948 5.420 0.190 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.379 6.526 -0.482 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.222 7.271 0.422 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.413 6.496 1.538 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.532 5.358 1.421 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.754 8.666 0.216 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.431 6.754 2.627 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.839 7.371 3.897 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.902 7.704 4.934 1.00 10.00 C HETATM 1217 O1D HEC A 90 -9.011 8.093 4.510 1.00 10.00 O HETATM 1218 O2D HEC A 90 -7.579 7.560 6.131 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.921 9.361 0.110 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.366 8.693 -0.686 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.361 8.954 1.074 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.773 5.365 -6.074 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.224 4.413 -6.469 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.253 6.185 -6.628 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.968 0.347 -0.190 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.201 -0.932 -0.599 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.949 -0.351 -1.827 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -3.020 -0.071 4.302 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.236 -0.582 3.108 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.512 -0.557 2.667 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -6.117 6.679 4.331 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.294 8.278 3.636 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.352 7.914 -6.462 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -4.916 7.126 -6.777 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -4.836 8.890 -6.560 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.141 -1.024 -3.568 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.488 -0.415 -4.559 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.135 -0.581 -5.269 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.954 2.554 4.007 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.515 0.911 4.431 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.204 7.418 2.239 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.919 5.814 2.885 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.343 1.662 5.310 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.785 3.341 5.069 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.497 7.865 -2.145 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.774 3.203 -4.641 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.346 0.421 1.203 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.974 4.454 3.303 1.00 10.00 H new HETATM 0 H2D HEC A 90 -8.229 8.019 6.703 1.00 10.00 H new