USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 757 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 20 SER OG : rot 67:sc= 1.42 USER MOD Set 1.2: A 84 CYS SG : rot -167:sc= 1.74 USER MOD Set 1.3: A 86 MET CE :methyl -156:sc= -0.197 (180deg=-0.85) USER MOD Set 2.1: A 6 MET CE :methyl 160:sc= -0.184 (180deg=-0.673) USER MOD Set 2.2: A 63 MET CE :methyl 136:sc= -0.109 (180deg=-1.43) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0324) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 5 SER OG : rot -91:sc= 0.922 USER MOD Single : A 9 ASN : amide:sc= 0.36 X(o=0.36,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc=-0.00433 (180deg=-0.0544) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 69:sc= 1.13 USER MOD Single : A 22 GLN : amide:sc=-0.00968 K(o=-0.0097,f=-0.96) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=0) USER MOD Single : A 51 HIS : no HE2:sc= -0.21 K(o=-0.21,f=-0.93) USER MOD Single : A 53 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 58 CYS SG : rot 72:sc= 1.29 USER MOD Single : A 61 SER OG : rot 64:sc= 1.1 USER MOD Single : A 73 THR OG1 : rot 68:sc= 0.941 USER MOD Single : A 79 SER OG : rot 71:sc= 1.2 USER MOD Single : A 81 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.18) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= 0.824 (180deg=0.497) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 51:sc= 0.0419 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.834 25.655 1.996 1.00 0.00 N ATOM 2 CA MET A 1 -0.371 26.510 1.906 1.00 0.00 C ATOM 3 C MET A 1 -1.259 26.045 0.765 1.00 0.00 C ATOM 4 O MET A 1 -0.927 26.219 -0.408 1.00 0.00 O ATOM 5 CB MET A 1 0.021 27.978 1.714 1.00 0.00 C ATOM 6 CG MET A 1 0.659 28.602 2.944 1.00 0.00 C ATOM 7 SD MET A 1 1.087 30.336 2.708 1.00 0.00 S ATOM 8 CE MET A 1 1.665 30.755 4.352 1.00 0.00 C ATOM 0 H1 MET A 1 1.392 25.928 2.830 1.00 0.00 H new ATOM 0 H2 MET A 1 0.547 24.659 2.082 1.00 0.00 H new ATOM 0 H3 MET A 1 1.411 25.777 1.139 1.00 0.00 H new ATOM 0 HA MET A 1 -0.927 26.424 2.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.715 28.054 0.877 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.867 28.550 1.445 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.026 28.514 3.787 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.558 28.043 3.204 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.969 31.801 4.375 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.862 30.595 5.072 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.515 30.124 4.611 1.00 0.00 H new ATOM 20 N GLU A 2 -2.378 25.431 1.116 1.00 0.00 N ATOM 21 CA GLU A 2 -3.314 24.909 0.135 1.00 0.00 C ATOM 22 C GLU A 2 -4.731 25.362 0.467 1.00 0.00 C ATOM 23 O GLU A 2 -5.338 24.885 1.430 1.00 0.00 O ATOM 24 CB GLU A 2 -3.226 23.382 0.096 1.00 0.00 C ATOM 25 CG GLU A 2 -1.878 22.875 -0.391 1.00 0.00 C ATOM 26 CD GLU A 2 -1.659 21.407 -0.101 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.252 20.562 -0.800 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.874 21.091 0.817 1.00 0.00 O ATOM 0 H GLU A 2 -2.661 25.281 2.084 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.055 25.297 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.417 22.987 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.010 22.995 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.799 23.043 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.085 23.455 0.082 1.00 0.00 H new ATOM 35 N VAL A 3 -5.245 26.284 -0.336 1.00 0.00 N ATOM 36 CA VAL A 3 -6.535 26.903 -0.073 1.00 0.00 C ATOM 37 C VAL A 3 -7.674 25.927 -0.343 1.00 0.00 C ATOM 38 O VAL A 3 -7.797 25.398 -1.450 1.00 0.00 O ATOM 39 CB VAL A 3 -6.734 28.174 -0.931 1.00 0.00 C ATOM 40 CG1 VAL A 3 -8.037 28.874 -0.570 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.551 29.119 -0.777 1.00 0.00 C ATOM 0 H VAL A 3 -4.783 26.621 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.547 27.184 0.980 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.793 27.871 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.154 29.765 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.874 28.198 -0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.017 29.161 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.712 30.006 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.453 29.412 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.639 28.616 -1.100 1.00 0.00 H new ATOM 51 N GLN A 4 -8.489 25.687 0.684 1.00 0.00 N ATOM 52 CA GLN A 4 -9.662 24.817 0.581 1.00 0.00 C ATOM 53 C GLN A 4 -9.248 23.366 0.345 1.00 0.00 C ATOM 54 O GLN A 4 -10.003 22.581 -0.232 1.00 0.00 O ATOM 55 CB GLN A 4 -10.593 25.285 -0.542 1.00 0.00 C ATOM 56 CG GLN A 4 -11.054 26.727 -0.406 1.00 0.00 C ATOM 57 CD GLN A 4 -11.906 27.172 -1.577 1.00 0.00 C ATOM 58 OE1 GLN A 4 -11.757 26.670 -2.691 1.00 0.00 O ATOM 59 NE2 GLN A 4 -12.787 28.128 -1.342 1.00 0.00 N ATOM 0 H GLN A 4 -8.355 26.090 1.611 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.200 24.875 1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.081 25.167 -1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.468 24.636 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.623 26.839 0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.184 27.378 -0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.879 28.517 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.375 28.477 -2.099 1.00 0.00 H new ATOM 68 N SER A 5 -8.053 23.016 0.805 1.00 0.00 N ATOM 69 CA SER A 5 -7.550 21.657 0.676 1.00 0.00 C ATOM 70 C SER A 5 -8.477 20.672 1.384 1.00 0.00 C ATOM 71 O SER A 5 -8.915 20.917 2.512 1.00 0.00 O ATOM 72 CB SER A 5 -6.130 21.570 1.239 1.00 0.00 C ATOM 73 OG SER A 5 -6.007 22.320 2.437 1.00 0.00 O ATOM 0 H SER A 5 -7.413 23.658 1.272 1.00 0.00 H new ATOM 0 HA SER A 5 -7.521 21.391 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.875 20.528 1.431 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.420 21.941 0.500 1.00 0.00 H new ATOM 0 HG SER A 5 -5.724 23.234 2.223 1.00 0.00 H new ATOM 79 N MET A 6 -8.769 19.563 0.716 1.00 0.00 N ATOM 80 CA MET A 6 -9.735 18.595 1.216 1.00 0.00 C ATOM 81 C MET A 6 -9.161 17.817 2.391 1.00 0.00 C ATOM 82 O MET A 6 -7.943 17.653 2.503 1.00 0.00 O ATOM 83 CB MET A 6 -10.160 17.639 0.100 1.00 0.00 C ATOM 84 CG MET A 6 -10.798 18.345 -1.088 1.00 0.00 C ATOM 85 SD MET A 6 -11.342 17.201 -2.374 1.00 0.00 S ATOM 86 CE MET A 6 -12.609 16.286 -1.495 1.00 0.00 C ATOM 0 H MET A 6 -8.348 19.311 -0.178 1.00 0.00 H new ATOM 0 HA MET A 6 -10.614 19.138 1.563 1.00 0.00 H new ATOM 0 HB2 MET A 6 -9.288 17.082 -0.243 1.00 0.00 H new ATOM 0 HB3 MET A 6 -10.865 16.912 0.503 1.00 0.00 H new ATOM 0 HG2 MET A 6 -11.652 18.928 -0.742 1.00 0.00 H new ATOM 0 HG3 MET A 6 -10.083 19.049 -1.513 1.00 0.00 H new ATOM 0 HE1 MET A 6 -13.274 15.804 -2.212 1.00 0.00 H new ATOM 0 HE2 MET A 6 -12.141 15.527 -0.868 1.00 0.00 H new ATOM 0 HE3 MET A 6 -13.184 16.969 -0.870 1.00 0.00 H new ATOM 96 N LEU A 7 -10.039 17.351 3.265 1.00 0.00 N ATOM 97 CA LEU A 7 -9.623 16.666 4.478 1.00 0.00 C ATOM 98 C LEU A 7 -9.285 15.207 4.197 1.00 0.00 C ATOM 99 O LEU A 7 -10.091 14.472 3.625 1.00 0.00 O ATOM 100 CB LEU A 7 -10.725 16.740 5.538 1.00 0.00 C ATOM 101 CG LEU A 7 -11.193 18.150 5.905 1.00 0.00 C ATOM 102 CD1 LEU A 7 -12.279 18.089 6.967 1.00 0.00 C ATOM 103 CD2 LEU A 7 -10.024 18.996 6.386 1.00 0.00 C ATOM 0 H LEU A 7 -11.050 17.436 3.156 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.729 17.166 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.585 16.172 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.368 16.247 6.443 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.608 18.617 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.601 19.100 7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.128 17.521 6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.888 17.602 7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.378 19.995 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.578 18.533 7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.277 19.068 5.595 1.00 0.00 H new ATOM 115 N LEU A 8 -8.087 14.802 4.588 1.00 0.00 N ATOM 116 CA LEU A 8 -7.691 13.408 4.512 1.00 0.00 C ATOM 117 C LEU A 8 -8.103 12.693 5.791 1.00 0.00 C ATOM 118 O LEU A 8 -7.392 12.733 6.799 1.00 0.00 O ATOM 119 CB LEU A 8 -6.181 13.278 4.293 1.00 0.00 C ATOM 120 CG LEU A 8 -5.655 13.891 2.991 1.00 0.00 C ATOM 121 CD1 LEU A 8 -4.158 13.665 2.864 1.00 0.00 C ATOM 122 CD2 LEU A 8 -6.384 13.307 1.791 1.00 0.00 C ATOM 0 H LEU A 8 -7.370 15.424 4.963 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.193 12.947 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.667 13.749 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.917 12.221 4.310 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.842 14.964 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.801 14.107 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.647 14.131 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.951 12.595 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.996 13.755 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.229 12.228 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.450 13.518 1.875 1.00 0.00 H new ATOM 134 N ASN A 9 -9.266 12.064 5.743 1.00 0.00 N ATOM 135 CA ASN A 9 -9.845 11.412 6.910 1.00 0.00 C ATOM 136 C ASN A 9 -9.164 10.081 7.171 1.00 0.00 C ATOM 137 O ASN A 9 -8.695 9.425 6.242 1.00 0.00 O ATOM 138 CB ASN A 9 -11.348 11.181 6.705 1.00 0.00 C ATOM 139 CG ASN A 9 -12.116 12.465 6.462 1.00 0.00 C ATOM 140 OD1 ASN A 9 -12.587 13.107 7.398 1.00 0.00 O ATOM 141 ND2 ASN A 9 -12.262 12.843 5.200 1.00 0.00 N ATOM 0 H ASN A 9 -9.834 11.990 4.899 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.695 12.065 7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.495 10.510 5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.756 10.680 7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.780 13.693 4.979 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.856 12.284 4.450 1.00 0.00 H new ATOM 148 N ASP A 10 -9.111 9.680 8.430 1.00 0.00 N ATOM 149 CA ASP A 10 -8.539 8.394 8.791 1.00 0.00 C ATOM 150 C ASP A 10 -9.548 7.292 8.504 1.00 0.00 C ATOM 151 O ASP A 10 -10.469 7.053 9.287 1.00 0.00 O ATOM 152 CB ASP A 10 -8.126 8.363 10.267 1.00 0.00 C ATOM 153 CG ASP A 10 -6.967 9.288 10.582 1.00 0.00 C ATOM 154 OD1 ASP A 10 -7.210 10.476 10.878 1.00 0.00 O ATOM 155 OD2 ASP A 10 -5.807 8.834 10.547 1.00 0.00 O ATOM 0 H ASP A 10 -9.457 10.226 9.219 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.642 8.234 8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.982 8.640 10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.854 7.344 10.540 1.00 0.00 H new ATOM 160 N VAL A 11 -9.392 6.647 7.361 1.00 0.00 N ATOM 161 CA VAL A 11 -10.305 5.594 6.943 1.00 0.00 C ATOM 162 C VAL A 11 -9.634 4.232 7.082 1.00 0.00 C ATOM 163 O VAL A 11 -8.447 4.085 6.783 1.00 0.00 O ATOM 164 CB VAL A 11 -10.766 5.802 5.480 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.766 4.736 5.060 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.363 7.192 5.303 1.00 0.00 C ATOM 0 H VAL A 11 -8.637 6.835 6.701 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.182 5.634 7.589 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.891 5.712 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.071 4.909 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.305 3.752 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.641 4.782 5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.682 7.322 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.222 7.306 5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.613 7.944 5.549 1.00 0.00 H new ATOM 176 N LYS A 12 -10.386 3.248 7.549 1.00 0.00 N ATOM 177 CA LYS A 12 -9.861 1.902 7.715 1.00 0.00 C ATOM 178 C LYS A 12 -10.179 1.034 6.504 1.00 0.00 C ATOM 179 O LYS A 12 -11.157 1.270 5.791 1.00 0.00 O ATOM 180 CB LYS A 12 -10.419 1.257 8.985 1.00 0.00 C ATOM 181 CG LYS A 12 -9.789 1.781 10.264 1.00 0.00 C ATOM 182 CD LYS A 12 -10.338 1.061 11.484 1.00 0.00 C ATOM 183 CE LYS A 12 -9.573 1.431 12.747 1.00 0.00 C ATOM 184 NZ LYS A 12 -9.618 2.889 13.029 1.00 0.00 N ATOM 0 H LYS A 12 -11.363 3.356 7.820 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.778 1.978 7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.495 1.426 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.267 0.179 8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.708 1.652 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.979 2.851 10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.392 1.310 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.282 -0.016 11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.990 0.887 13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.535 1.115 12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.157 3.081 13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.121 3.404 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.608 3.204 13.069 1.00 0.00 H new ATOM 198 N TRP A 13 -9.346 0.031 6.281 1.00 0.00 N ATOM 199 CA TRP A 13 -9.522 -0.888 5.170 1.00 0.00 C ATOM 200 C TRP A 13 -10.453 -2.024 5.558 1.00 0.00 C ATOM 201 O TRP A 13 -10.408 -2.519 6.685 1.00 0.00 O ATOM 202 CB TRP A 13 -8.176 -1.465 4.727 1.00 0.00 C ATOM 203 CG TRP A 13 -7.768 -1.034 3.353 1.00 0.00 C ATOM 204 CD1 TRP A 13 -8.542 -1.044 2.231 1.00 0.00 C ATOM 205 CD2 TRP A 13 -6.484 -0.547 2.952 1.00 0.00 C ATOM 206 NE1 TRP A 13 -7.825 -0.578 1.158 1.00 0.00 N ATOM 207 CE2 TRP A 13 -6.556 -0.268 1.573 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.283 -0.310 3.625 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -5.471 0.230 0.857 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.207 0.183 2.914 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.308 0.450 1.543 1.00 0.00 C ATOM 0 H TRP A 13 -8.532 -0.168 6.863 1.00 0.00 H new ATOM 0 HA TRP A 13 -9.961 -0.331 4.343 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.407 -1.162 5.438 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.228 -2.553 4.758 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.570 -1.371 2.192 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.179 -0.478 0.206 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.198 -0.509 4.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.545 0.435 -0.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.272 0.366 3.423 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.449 0.838 1.016 1.00 0.00 H new ATOM 222 N GLU A 14 -11.302 -2.425 4.625 1.00 0.00 N ATOM 223 CA GLU A 14 -12.181 -3.565 4.834 1.00 0.00 C ATOM 224 C GLU A 14 -11.371 -4.854 4.835 1.00 0.00 C ATOM 225 O GLU A 14 -11.601 -5.752 5.645 1.00 0.00 O ATOM 226 CB GLU A 14 -13.243 -3.618 3.739 1.00 0.00 C ATOM 227 CG GLU A 14 -14.169 -2.414 3.732 1.00 0.00 C ATOM 228 CD GLU A 14 -14.944 -2.277 5.024 1.00 0.00 C ATOM 229 OE1 GLU A 14 -15.740 -3.186 5.337 1.00 0.00 O ATOM 230 OE2 GLU A 14 -14.768 -1.260 5.727 1.00 0.00 O ATOM 0 H GLU A 14 -11.401 -1.977 3.714 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.675 -3.455 5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.750 -3.693 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.838 -4.523 3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.584 -1.510 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.867 -2.501 2.900 1.00 0.00 H new ATOM 237 N LYS A 15 -10.413 -4.927 3.925 1.00 0.00 N ATOM 238 CA LYS A 15 -9.545 -6.084 3.820 1.00 0.00 C ATOM 239 C LYS A 15 -8.138 -5.726 4.276 1.00 0.00 C ATOM 240 O LYS A 15 -7.529 -4.796 3.747 1.00 0.00 O ATOM 241 CB LYS A 15 -9.516 -6.603 2.382 1.00 0.00 C ATOM 242 CG LYS A 15 -10.847 -7.163 1.911 1.00 0.00 C ATOM 243 CD LYS A 15 -11.294 -8.327 2.782 1.00 0.00 C ATOM 244 CE LYS A 15 -12.614 -8.903 2.310 1.00 0.00 C ATOM 245 NZ LYS A 15 -13.049 -10.048 3.150 1.00 0.00 N ATOM 0 H LYS A 15 -10.218 -4.192 3.245 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.936 -6.871 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.217 -5.792 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.755 -7.379 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.603 -6.378 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.760 -7.493 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.531 -9.106 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.391 -7.993 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.378 -8.126 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.519 -9.228 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.955 -10.414 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.332 -10.800 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.165 -9.732 4.134 1.00 0.00 H new ATOM 259 N PRO A 16 -7.616 -6.448 5.276 1.00 0.00 N ATOM 260 CA PRO A 16 -6.281 -6.200 5.819 1.00 0.00 C ATOM 261 C PRO A 16 -5.172 -6.534 4.826 1.00 0.00 C ATOM 262 O PRO A 16 -5.273 -7.496 4.059 1.00 0.00 O ATOM 263 CB PRO A 16 -6.192 -7.133 7.035 1.00 0.00 C ATOM 264 CG PRO A 16 -7.587 -7.599 7.290 1.00 0.00 C ATOM 265 CD PRO A 16 -8.288 -7.559 5.965 1.00 0.00 C ATOM 0 HA PRO A 16 -6.146 -5.146 6.062 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.529 -7.974 6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.790 -6.609 7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.591 -8.608 7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.086 -6.956 8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.179 -8.497 5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.357 -7.378 6.078 1.00 0.00 H new ATOM 273 N VAL A 17 -4.125 -5.724 4.839 1.00 0.00 N ATOM 274 CA VAL A 17 -2.949 -5.974 4.021 1.00 0.00 C ATOM 275 C VAL A 17 -1.737 -6.176 4.922 1.00 0.00 C ATOM 276 O VAL A 17 -1.407 -5.310 5.730 1.00 0.00 O ATOM 277 CB VAL A 17 -2.673 -4.811 3.043 1.00 0.00 C ATOM 278 CG1 VAL A 17 -1.478 -5.127 2.156 1.00 0.00 C ATOM 279 CG2 VAL A 17 -3.906 -4.510 2.198 1.00 0.00 C ATOM 0 H VAL A 17 -4.066 -4.882 5.412 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.136 -6.871 3.431 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.438 -3.923 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.301 -4.295 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.595 -5.282 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.681 -6.030 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.688 -3.688 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.178 -5.395 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.734 -4.232 2.849 1.00 0.00 H new ATOM 289 N THR A 18 -1.083 -7.317 4.788 1.00 0.00 N ATOM 290 CA THR A 18 0.039 -7.659 5.642 1.00 0.00 C ATOM 291 C THR A 18 1.354 -7.580 4.867 1.00 0.00 C ATOM 292 O THR A 18 1.753 -8.526 4.191 1.00 0.00 O ATOM 293 CB THR A 18 -0.141 -9.073 6.230 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.444 -9.193 6.820 1.00 0.00 O ATOM 295 CG2 THR A 18 0.908 -9.362 7.284 1.00 0.00 C ATOM 0 H THR A 18 -1.312 -8.026 4.091 1.00 0.00 H new ATOM 0 HA THR A 18 0.073 -6.939 6.459 1.00 0.00 H new ATOM 0 HB THR A 18 -0.031 -9.792 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.125 -9.179 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.757 -10.366 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.900 -9.294 6.838 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.822 -8.635 8.092 1.00 0.00 H new ATOM 303 N ILE A 19 2.036 -6.455 4.979 1.00 0.00 N ATOM 304 CA ILE A 19 3.259 -6.248 4.227 1.00 0.00 C ATOM 305 C ILE A 19 4.439 -6.770 5.027 1.00 0.00 C ATOM 306 O ILE A 19 4.863 -6.162 6.010 1.00 0.00 O ATOM 307 CB ILE A 19 3.475 -4.747 3.901 1.00 0.00 C ATOM 308 CG1 ILE A 19 2.377 -4.235 2.961 1.00 0.00 C ATOM 309 CG2 ILE A 19 4.849 -4.520 3.281 1.00 0.00 C ATOM 310 CD1 ILE A 19 2.536 -4.686 1.530 1.00 0.00 C ATOM 0 H ILE A 19 1.766 -5.676 5.579 1.00 0.00 H new ATOM 0 HA ILE A 19 3.176 -6.791 3.285 1.00 0.00 H new ATOM 0 HB ILE A 19 3.422 -4.188 4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.409 -4.572 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.368 -3.145 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.978 -3.460 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.621 -4.842 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.931 -5.095 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.721 -4.283 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.488 -4.327 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.514 -5.775 1.487 1.00 0.00 H new ATOM 322 N SER A 20 4.945 -7.920 4.622 1.00 0.00 N ATOM 323 CA SER A 20 6.100 -8.499 5.266 1.00 0.00 C ATOM 324 C SER A 20 7.371 -7.947 4.640 1.00 0.00 C ATOM 325 O SER A 20 7.787 -8.367 3.558 1.00 0.00 O ATOM 326 CB SER A 20 6.043 -10.026 5.181 1.00 0.00 C ATOM 327 OG SER A 20 5.347 -10.444 4.021 1.00 0.00 O ATOM 0 H SER A 20 4.571 -8.469 3.848 1.00 0.00 H new ATOM 0 HA SER A 20 6.102 -8.229 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.055 -10.431 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.551 -10.425 6.068 1.00 0.00 H new ATOM 0 HG SER A 20 5.860 -10.196 3.224 1.00 0.00 H new ATOM 333 N LEU A 21 7.959 -6.977 5.317 1.00 0.00 N ATOM 334 CA LEU A 21 9.116 -6.270 4.798 1.00 0.00 C ATOM 335 C LEU A 21 10.380 -7.102 4.920 1.00 0.00 C ATOM 336 O LEU A 21 10.416 -8.113 5.625 1.00 0.00 O ATOM 337 CB LEU A 21 9.303 -4.943 5.536 1.00 0.00 C ATOM 338 CG LEU A 21 8.256 -3.876 5.228 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.471 -2.657 6.111 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.320 -3.486 3.758 1.00 0.00 C ATOM 0 H LEU A 21 7.651 -6.659 6.236 1.00 0.00 H new ATOM 0 HA LEU A 21 8.935 -6.077 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.296 -5.138 6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.288 -4.545 5.291 1.00 0.00 H new ATOM 0 HG LEU A 21 7.267 -4.284 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.718 -1.904 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.386 -2.947 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.463 -2.245 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.568 -2.724 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.310 -3.091 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.128 -4.363 3.140 1.00 0.00 H new ATOM 352 N GLN A 22 11.427 -6.632 4.250 1.00 0.00 N ATOM 353 CA GLN A 22 12.728 -7.289 4.256 1.00 0.00 C ATOM 354 C GLN A 22 13.350 -7.239 5.650 1.00 0.00 C ATOM 355 O GLN A 22 14.347 -7.905 5.926 1.00 0.00 O ATOM 356 CB GLN A 22 13.645 -6.610 3.238 1.00 0.00 C ATOM 357 CG GLN A 22 13.068 -6.599 1.832 1.00 0.00 C ATOM 358 CD GLN A 22 13.865 -5.742 0.872 1.00 0.00 C ATOM 359 OE1 GLN A 22 14.485 -4.756 1.268 1.00 0.00 O ATOM 360 NE2 GLN A 22 13.856 -6.113 -0.398 1.00 0.00 N ATOM 0 H GLN A 22 11.397 -5.782 3.686 1.00 0.00 H new ATOM 0 HA GLN A 22 12.599 -8.336 3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.834 -5.584 3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.607 -7.122 3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.030 -7.620 1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.041 -6.234 1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.329 -6.938 -0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.377 -5.574 -1.090 1.00 0.00 H new ATOM 369 N ASN A 23 12.740 -6.436 6.516 1.00 0.00 N ATOM 370 CA ASN A 23 13.138 -6.340 7.918 1.00 0.00 C ATOM 371 C ASN A 23 12.773 -7.620 8.663 1.00 0.00 C ATOM 372 O ASN A 23 13.227 -7.848 9.783 1.00 0.00 O ATOM 373 CB ASN A 23 12.439 -5.151 8.582 1.00 0.00 C ATOM 374 CG ASN A 23 12.719 -3.835 7.884 1.00 0.00 C ATOM 375 OD1 ASN A 23 12.042 -3.481 6.919 1.00 0.00 O ATOM 376 ND2 ASN A 23 13.691 -3.090 8.382 1.00 0.00 N ATOM 0 H ASN A 23 11.956 -5.833 6.267 1.00 0.00 H new ATOM 0 HA ASN A 23 14.218 -6.197 7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.364 -5.329 8.593 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.761 -5.081 9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.904 -2.184 7.965 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.228 -3.421 9.183 1.00 0.00 H new ATOM 383 N GLY A 24 11.933 -8.440 8.036 1.00 0.00 N ATOM 384 CA GLY A 24 11.536 -9.700 8.628 1.00 0.00 C ATOM 385 C GLY A 24 10.301 -9.569 9.497 1.00 0.00 C ATOM 386 O GLY A 24 10.144 -10.305 10.470 1.00 0.00 O ATOM 0 H GLY A 24 11.520 -8.250 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.345 -10.425 7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.358 -10.091 9.227 1.00 0.00 H new ATOM 390 N ALA A 25 9.422 -8.642 9.141 1.00 0.00 N ATOM 391 CA ALA A 25 8.215 -8.405 9.922 1.00 0.00 C ATOM 392 C ALA A 25 7.034 -8.041 9.028 1.00 0.00 C ATOM 393 O ALA A 25 7.089 -7.061 8.281 1.00 0.00 O ATOM 394 CB ALA A 25 8.460 -7.302 10.943 1.00 0.00 C ATOM 0 H ALA A 25 9.521 -8.044 8.320 1.00 0.00 H new ATOM 0 HA ALA A 25 7.967 -9.329 10.444 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.552 -7.133 11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.267 -7.599 11.613 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.737 -6.383 10.426 1.00 0.00 H new ATOM 400 N PRO A 26 5.965 -8.852 9.065 1.00 0.00 N ATOM 401 CA PRO A 26 4.705 -8.554 8.378 1.00 0.00 C ATOM 402 C PRO A 26 3.893 -7.487 9.106 1.00 0.00 C ATOM 403 O PRO A 26 3.374 -7.724 10.198 1.00 0.00 O ATOM 404 CB PRO A 26 3.952 -9.893 8.387 1.00 0.00 C ATOM 405 CG PRO A 26 4.920 -10.906 8.900 1.00 0.00 C ATOM 406 CD PRO A 26 5.900 -10.148 9.749 1.00 0.00 C ATOM 0 HA PRO A 26 4.876 -8.159 7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.069 -9.840 9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.608 -10.154 7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.410 -11.673 9.483 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.426 -11.414 8.079 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.555 -10.048 10.778 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.873 -10.639 9.785 1.00 0.00 H new ATOM 414 N ARG A 27 3.803 -6.312 8.504 1.00 0.00 N ATOM 415 CA ARG A 27 3.043 -5.214 9.080 1.00 0.00 C ATOM 416 C ARG A 27 1.636 -5.187 8.500 1.00 0.00 C ATOM 417 O ARG A 27 1.452 -4.974 7.300 1.00 0.00 O ATOM 418 CB ARG A 27 3.743 -3.876 8.826 1.00 0.00 C ATOM 419 CG ARG A 27 5.125 -3.785 9.453 1.00 0.00 C ATOM 420 CD ARG A 27 5.732 -2.398 9.287 1.00 0.00 C ATOM 421 NE ARG A 27 4.919 -1.358 9.923 1.00 0.00 N ATOM 422 CZ ARG A 27 4.959 -1.068 11.224 1.00 0.00 C ATOM 423 NH1 ARG A 27 5.765 -1.741 12.036 1.00 0.00 N ATOM 424 NH2 ARG A 27 4.200 -0.094 11.705 1.00 0.00 N ATOM 0 H ARG A 27 4.249 -6.094 7.613 1.00 0.00 H new ATOM 0 HA ARG A 27 2.980 -5.370 10.157 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.830 -3.719 7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.122 -3.070 9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.060 -4.028 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.781 -4.526 8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.733 -2.388 9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.839 -2.175 8.225 1.00 0.00 H new ATOM 0 HE ARG A 27 4.282 -0.822 9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.358 -2.484 11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.792 -1.515 13.030 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.588 0.431 11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.228 0.131 12.700 1.00 0.00 H new ATOM 438 N ILE A 28 0.652 -5.428 9.353 1.00 0.00 N ATOM 439 CA ILE A 28 -0.740 -5.434 8.932 1.00 0.00 C ATOM 440 C ILE A 28 -1.307 -4.020 8.952 1.00 0.00 C ATOM 441 O ILE A 28 -1.321 -3.361 9.993 1.00 0.00 O ATOM 442 CB ILE A 28 -1.607 -6.329 9.844 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.989 -7.722 9.975 1.00 0.00 C ATOM 444 CG2 ILE A 28 -3.021 -6.432 9.289 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.732 -8.630 10.933 1.00 0.00 C ATOM 0 H ILE A 28 0.793 -5.623 10.344 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.767 -5.834 7.918 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.649 -5.875 10.834 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.961 -8.191 8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.043 -7.622 10.310 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.622 -7.066 9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.465 -5.438 9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.989 -6.866 8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.236 -9.600 10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.738 -8.183 11.927 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.758 -8.761 10.588 1.00 0.00 H new ATOM 457 N PHE A 29 -1.751 -3.553 7.800 1.00 0.00 N ATOM 458 CA PHE A 29 -2.376 -2.246 7.703 1.00 0.00 C ATOM 459 C PHE A 29 -3.888 -2.397 7.670 1.00 0.00 C ATOM 460 O PHE A 29 -4.450 -2.896 6.694 1.00 0.00 O ATOM 461 CB PHE A 29 -1.909 -1.505 6.448 1.00 0.00 C ATOM 462 CG PHE A 29 -0.418 -1.403 6.324 1.00 0.00 C ATOM 463 CD1 PHE A 29 0.288 -0.411 6.987 1.00 0.00 C ATOM 464 CD2 PHE A 29 0.276 -2.301 5.536 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.664 -0.325 6.865 1.00 0.00 C ATOM 466 CE2 PHE A 29 1.645 -2.218 5.413 1.00 0.00 C ATOM 467 CZ PHE A 29 2.341 -1.232 6.073 1.00 0.00 C ATOM 0 H PHE A 29 -1.691 -4.060 6.917 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.084 -1.665 8.577 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.303 -2.015 5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.333 -0.501 6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.240 0.301 7.604 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.261 -3.077 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.207 0.449 7.387 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.174 -2.929 4.796 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.414 -1.167 5.972 1.00 0.00 H new ATOM 477 N ASN A 30 -4.540 -1.995 8.747 1.00 0.00 N ATOM 478 CA ASN A 30 -5.993 -1.991 8.794 1.00 0.00 C ATOM 479 C ASN A 30 -6.507 -0.582 8.557 1.00 0.00 C ATOM 480 O ASN A 30 -7.700 -0.367 8.360 1.00 0.00 O ATOM 481 CB ASN A 30 -6.506 -2.524 10.135 1.00 0.00 C ATOM 482 CG ASN A 30 -6.269 -4.013 10.307 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.239 -4.435 10.830 1.00 0.00 O ATOM 484 ND2 ASN A 30 -7.226 -4.822 9.876 1.00 0.00 N ATOM 0 H ASN A 30 -4.087 -1.667 9.600 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.365 -2.650 8.009 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.014 -1.987 10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.573 -2.319 10.218 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.122 -5.832 9.973 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.067 -4.435 9.447 1.00 0.00 H new ATOM 491 N GLY A 31 -5.594 0.378 8.579 1.00 0.00 N ATOM 492 CA GLY A 31 -5.945 1.748 8.282 1.00 0.00 C ATOM 493 C GLY A 31 -5.266 2.234 7.021 1.00 0.00 C ATOM 494 O GLY A 31 -4.064 2.024 6.837 1.00 0.00 O ATOM 0 H GLY A 31 -4.609 0.229 8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.026 1.831 8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.661 2.387 9.118 1.00 0.00 H new ATOM 498 N VAL A 32 -6.027 2.883 6.153 1.00 0.00 N ATOM 499 CA VAL A 32 -5.506 3.345 4.872 1.00 0.00 C ATOM 500 C VAL A 32 -4.511 4.481 5.076 1.00 0.00 C ATOM 501 O VAL A 32 -3.510 4.581 4.367 1.00 0.00 O ATOM 502 CB VAL A 32 -6.639 3.825 3.938 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.092 4.174 2.562 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.732 2.774 3.830 1.00 0.00 C ATOM 0 H VAL A 32 -7.010 3.103 6.311 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.004 2.498 4.405 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.075 4.726 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.907 4.510 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.353 4.970 2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.624 3.293 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.519 3.134 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.312 1.852 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.150 2.581 4.818 1.00 0.00 H new ATOM 514 N TYR A 33 -4.782 5.320 6.066 1.00 0.00 N ATOM 515 CA TYR A 33 -3.931 6.465 6.360 1.00 0.00 C ATOM 516 C TYR A 33 -2.560 5.998 6.848 1.00 0.00 C ATOM 517 O TYR A 33 -1.533 6.595 6.524 1.00 0.00 O ATOM 518 CB TYR A 33 -4.607 7.356 7.406 1.00 0.00 C ATOM 519 CG TYR A 33 -3.814 8.586 7.783 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.755 9.688 6.938 1.00 0.00 C ATOM 521 CD2 TYR A 33 -3.128 8.643 8.986 1.00 0.00 C ATOM 522 CE1 TYR A 33 -3.035 10.812 7.289 1.00 0.00 C ATOM 523 CE2 TYR A 33 -2.409 9.763 9.343 1.00 0.00 C ATOM 524 CZ TYR A 33 -2.363 10.843 8.491 1.00 0.00 C ATOM 525 OH TYR A 33 -1.641 11.959 8.845 1.00 0.00 O ATOM 0 H TYR A 33 -5.589 5.228 6.683 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.785 7.045 5.449 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.580 7.668 7.026 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.790 6.767 8.305 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.280 9.664 5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.157 7.795 9.655 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.999 11.663 6.625 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.884 9.793 10.286 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.229 11.817 9.723 1.00 0.00 H new ATOM 535 N GLU A 34 -2.556 4.915 7.616 1.00 0.00 N ATOM 536 CA GLU A 34 -1.320 4.317 8.106 1.00 0.00 C ATOM 537 C GLU A 34 -0.457 3.826 6.946 1.00 0.00 C ATOM 538 O GLU A 34 0.761 4.007 6.943 1.00 0.00 O ATOM 539 CB GLU A 34 -1.643 3.169 9.061 1.00 0.00 C ATOM 540 CG GLU A 34 -2.276 3.639 10.360 1.00 0.00 C ATOM 541 CD GLU A 34 -3.162 2.591 10.997 1.00 0.00 C ATOM 542 OE1 GLU A 34 -2.635 1.669 11.652 1.00 0.00 O ATOM 543 OE2 GLU A 34 -4.397 2.685 10.833 1.00 0.00 O ATOM 0 H GLU A 34 -3.402 4.430 7.915 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.754 5.076 8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.318 2.471 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.727 2.622 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.490 3.917 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.864 4.536 10.168 1.00 0.00 H new ATOM 550 N ALA A 35 -1.101 3.225 5.952 1.00 0.00 N ATOM 551 CA ALA A 35 -0.400 2.743 4.767 1.00 0.00 C ATOM 552 C ALA A 35 0.044 3.906 3.888 1.00 0.00 C ATOM 553 O ALA A 35 1.105 3.857 3.265 1.00 0.00 O ATOM 554 CB ALA A 35 -1.283 1.788 3.980 1.00 0.00 C ATOM 0 H ALA A 35 -2.107 3.060 5.943 1.00 0.00 H new ATOM 0 HA ALA A 35 0.490 2.205 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.745 1.438 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.547 0.936 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.191 2.305 3.669 1.00 0.00 H new ATOM 560 N PHE A 36 -0.775 4.951 3.850 1.00 0.00 N ATOM 561 CA PHE A 36 -0.466 6.157 3.090 1.00 0.00 C ATOM 562 C PHE A 36 0.868 6.749 3.542 1.00 0.00 C ATOM 563 O PHE A 36 1.754 7.012 2.724 1.00 0.00 O ATOM 564 CB PHE A 36 -1.594 7.182 3.264 1.00 0.00 C ATOM 565 CG PHE A 36 -1.401 8.455 2.483 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.693 8.505 1.129 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.937 9.605 3.106 1.00 0.00 C ATOM 568 CE1 PHE A 36 -1.526 9.675 0.412 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.768 10.776 2.393 1.00 0.00 C ATOM 570 CZ PHE A 36 -1.062 10.810 1.045 1.00 0.00 C ATOM 0 H PHE A 36 -1.668 4.987 4.342 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.382 5.897 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.536 6.723 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.685 7.429 4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.055 7.619 0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.705 9.584 4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.758 9.701 -0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.406 11.664 2.890 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.929 11.724 0.486 1.00 0.00 H new ATOM 580 N ASP A 37 1.008 6.946 4.851 1.00 0.00 N ATOM 581 CA ASP A 37 2.254 7.451 5.422 1.00 0.00 C ATOM 582 C ASP A 37 3.402 6.487 5.155 1.00 0.00 C ATOM 583 O ASP A 37 4.515 6.903 4.837 1.00 0.00 O ATOM 584 CB ASP A 37 2.115 7.666 6.931 1.00 0.00 C ATOM 585 CG ASP A 37 1.424 8.965 7.284 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.059 10.033 7.154 1.00 0.00 O ATOM 587 OD2 ASP A 37 0.265 8.928 7.736 1.00 0.00 O ATOM 0 H ASP A 37 0.274 6.764 5.536 1.00 0.00 H new ATOM 0 HA ASP A 37 2.470 8.406 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.555 6.835 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.105 7.652 7.387 1.00 0.00 H new ATOM 592 N PHE A 38 3.115 5.197 5.281 1.00 0.00 N ATOM 593 CA PHE A 38 4.107 4.152 5.056 1.00 0.00 C ATOM 594 C PHE A 38 4.690 4.243 3.646 1.00 0.00 C ATOM 595 O PHE A 38 5.909 4.185 3.463 1.00 0.00 O ATOM 596 CB PHE A 38 3.465 2.778 5.286 1.00 0.00 C ATOM 597 CG PHE A 38 4.380 1.617 5.024 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.421 1.325 5.890 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.187 0.806 3.915 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.253 0.250 5.654 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.017 -0.268 3.675 1.00 0.00 C ATOM 602 CZ PHE A 38 6.051 -0.547 4.544 1.00 0.00 C ATOM 0 H PHE A 38 2.193 4.847 5.541 1.00 0.00 H new ATOM 0 HA PHE A 38 4.926 4.289 5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.112 2.723 6.316 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.589 2.687 4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.583 1.945 6.759 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.378 1.019 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.061 0.032 6.336 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.858 -0.891 2.807 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.702 -1.388 4.357 1.00 0.00 H new ATOM 612 N LEU A 39 3.814 4.409 2.661 1.00 0.00 N ATOM 613 CA LEU A 39 4.230 4.497 1.265 1.00 0.00 C ATOM 614 C LEU A 39 5.114 5.716 1.020 1.00 0.00 C ATOM 615 O LEU A 39 6.052 5.663 0.219 1.00 0.00 O ATOM 616 CB LEU A 39 3.008 4.558 0.344 1.00 0.00 C ATOM 617 CG LEU A 39 2.095 3.331 0.376 1.00 0.00 C ATOM 618 CD1 LEU A 39 0.902 3.538 -0.542 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.862 2.081 -0.024 1.00 0.00 C ATOM 0 H LEU A 39 2.807 4.486 2.804 1.00 0.00 H new ATOM 0 HA LEU A 39 4.809 3.601 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.418 5.435 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.353 4.705 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 39 1.732 3.198 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.261 2.657 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.337 4.410 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.251 3.695 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.195 1.220 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.254 2.202 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.688 1.924 0.669 1.00 0.00 H new ATOM 631 N GLN A 40 4.811 6.812 1.704 1.00 0.00 N ATOM 632 CA GLN A 40 5.560 8.051 1.527 1.00 0.00 C ATOM 633 C GLN A 40 6.884 8.022 2.274 1.00 0.00 C ATOM 634 O GLN A 40 7.881 8.554 1.789 1.00 0.00 O ATOM 635 CB GLN A 40 4.748 9.255 1.998 1.00 0.00 C ATOM 636 CG GLN A 40 3.587 9.617 1.089 1.00 0.00 C ATOM 637 CD GLN A 40 2.834 10.836 1.584 1.00 0.00 C ATOM 638 OE1 GLN A 40 2.739 11.076 2.788 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.318 11.628 0.660 1.00 0.00 N ATOM 0 H GLN A 40 4.054 6.869 2.385 1.00 0.00 H new ATOM 0 HA GLN A 40 5.762 8.144 0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.363 9.051 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.411 10.116 2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.960 9.806 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.903 8.771 1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.419 11.393 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.819 12.474 0.934 1.00 0.00 H new ATOM 648 N HIS A 41 6.891 7.408 3.447 1.00 0.00 N ATOM 649 CA HIS A 41 8.089 7.380 4.279 1.00 0.00 C ATOM 650 C HIS A 41 9.216 6.654 3.571 1.00 0.00 C ATOM 651 O HIS A 41 10.216 7.266 3.194 1.00 0.00 O ATOM 652 CB HIS A 41 7.809 6.726 5.632 1.00 0.00 C ATOM 653 CG HIS A 41 6.998 7.582 6.553 1.00 0.00 C ATOM 654 ND1 HIS A 41 6.460 7.119 7.732 1.00 0.00 N ATOM 655 CD2 HIS A 41 6.636 8.884 6.462 1.00 0.00 C ATOM 656 CE1 HIS A 41 5.800 8.097 8.326 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.894 9.178 7.576 1.00 0.00 N ATOM 0 H HIS A 41 6.086 6.924 3.845 1.00 0.00 H new ATOM 0 HA HIS A 41 8.392 8.412 4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.286 5.784 5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.757 6.485 6.113 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.886 9.564 5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.273 8.024 9.266 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.481 10.086 7.790 1.00 0.00 H new ATOM 666 N GLU A 42 9.051 5.354 3.378 1.00 0.00 N ATOM 667 CA GLU A 42 10.052 4.580 2.672 1.00 0.00 C ATOM 668 C GLU A 42 9.518 3.226 2.234 1.00 0.00 C ATOM 669 O GLU A 42 9.572 2.246 2.978 1.00 0.00 O ATOM 670 CB GLU A 42 11.319 4.410 3.516 1.00 0.00 C ATOM 671 CG GLU A 42 12.388 3.578 2.828 1.00 0.00 C ATOM 672 CD GLU A 42 13.784 3.929 3.283 1.00 0.00 C ATOM 673 OE1 GLU A 42 14.207 3.452 4.356 1.00 0.00 O ATOM 674 OE2 GLU A 42 14.466 4.689 2.563 1.00 0.00 O ATOM 0 H GLU A 42 8.242 4.821 3.697 1.00 0.00 H new ATOM 0 HA GLU A 42 10.310 5.140 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.727 5.393 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.056 3.941 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.202 2.522 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.315 3.721 1.750 1.00 0.00 H new ATOM 681 N TRP A 43 8.951 3.200 1.042 1.00 0.00 N ATOM 682 CA TRP A 43 8.695 1.948 0.354 1.00 0.00 C ATOM 683 C TRP A 43 9.963 1.563 -0.410 1.00 0.00 C ATOM 684 O TRP A 43 10.587 2.425 -1.027 1.00 0.00 O ATOM 685 CB TRP A 43 7.503 2.103 -0.599 1.00 0.00 C ATOM 686 CG TRP A 43 7.121 0.840 -1.321 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.535 0.449 -2.561 1.00 0.00 C ATOM 688 CD2 TRP A 43 6.242 -0.190 -0.852 1.00 0.00 C ATOM 689 NE1 TRP A 43 6.974 -0.757 -2.890 1.00 0.00 N ATOM 690 CE2 TRP A 43 6.175 -1.172 -1.859 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.505 -0.382 0.320 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.403 -2.325 -1.729 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.738 -1.526 0.447 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.693 -2.484 -0.572 1.00 0.00 C ATOM 0 H TRP A 43 8.659 4.032 0.530 1.00 0.00 H new ATOM 0 HA TRP A 43 8.443 1.163 1.067 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.643 2.458 -0.032 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.739 2.872 -1.335 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.208 1.010 -3.193 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.127 -1.264 -3.762 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.534 0.351 1.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.367 -3.066 -2.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.164 -1.683 1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.085 -3.367 -0.442 1.00 0.00 H new ATOM 705 N PRO A 44 10.371 0.279 -0.368 1.00 0.00 N ATOM 706 CA PRO A 44 11.621 -0.192 -1.002 1.00 0.00 C ATOM 707 C PRO A 44 11.609 -0.133 -2.536 1.00 0.00 C ATOM 708 O PRO A 44 12.466 -0.723 -3.195 1.00 0.00 O ATOM 709 CB PRO A 44 11.733 -1.646 -0.529 1.00 0.00 C ATOM 710 CG PRO A 44 10.339 -2.049 -0.196 1.00 0.00 C ATOM 711 CD PRO A 44 9.665 -0.813 0.327 1.00 0.00 C ATOM 0 HA PRO A 44 12.460 0.444 -0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.153 -2.283 -1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.387 -1.730 0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.823 -2.432 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.330 -2.844 0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.599 -0.810 0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.762 -0.730 1.409 1.00 0.00 H new ATOM 719 N ALA A 45 10.646 0.587 -3.092 1.00 0.00 N ATOM 720 CA ALA A 45 10.539 0.783 -4.530 1.00 0.00 C ATOM 721 C ALA A 45 9.631 1.973 -4.815 1.00 0.00 C ATOM 722 O ALA A 45 8.493 1.817 -5.263 1.00 0.00 O ATOM 723 CB ALA A 45 10.018 -0.475 -5.220 1.00 0.00 C ATOM 0 H ALA A 45 9.914 1.054 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 45 11.532 0.987 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.948 -0.299 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.702 -1.303 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.031 -0.723 -4.828 1.00 0.00 H new ATOM 729 N ARG A 46 10.121 3.161 -4.501 1.00 0.00 N ATOM 730 CA ARG A 46 9.336 4.372 -4.662 1.00 0.00 C ATOM 731 C ARG A 46 9.798 5.148 -5.888 1.00 0.00 C ATOM 732 O ARG A 46 10.995 5.245 -6.161 1.00 0.00 O ATOM 733 CB ARG A 46 9.419 5.232 -3.395 1.00 0.00 C ATOM 734 CG ARG A 46 10.810 5.752 -3.073 1.00 0.00 C ATOM 735 CD ARG A 46 10.887 6.247 -1.639 1.00 0.00 C ATOM 736 NE ARG A 46 12.130 6.963 -1.359 1.00 0.00 N ATOM 737 CZ ARG A 46 13.028 6.581 -0.453 1.00 0.00 C ATOM 738 NH1 ARG A 46 12.899 5.417 0.176 1.00 0.00 N ATOM 739 NH2 ARG A 46 14.072 7.357 -0.202 1.00 0.00 N ATOM 0 H ARG A 46 11.060 3.312 -4.133 1.00 0.00 H new ATOM 0 HA ARG A 46 8.292 4.097 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.744 6.081 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.060 4.645 -2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.543 4.960 -3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.066 6.562 -3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.040 6.904 -1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.800 5.399 -0.960 1.00 0.00 H new ATOM 0 HE ARG A 46 12.322 7.811 -1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.108 4.809 -0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.591 5.132 0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.183 8.240 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.765 7.072 0.490 1.00 0.00 H new ATOM 753 N GLY A 47 8.841 5.673 -6.637 1.00 0.00 N ATOM 754 CA GLY A 47 9.153 6.363 -7.871 1.00 0.00 C ATOM 755 C GLY A 47 8.396 5.770 -9.040 1.00 0.00 C ATOM 756 O GLY A 47 8.240 6.399 -10.086 1.00 0.00 O ATOM 0 H GLY A 47 7.847 5.633 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.904 7.420 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.225 6.305 -8.062 1.00 0.00 H new ATOM 760 N ASP A 48 7.909 4.554 -8.841 1.00 0.00 N ATOM 761 CA ASP A 48 7.200 3.820 -9.869 1.00 0.00 C ATOM 762 C ASP A 48 5.715 4.170 -9.848 1.00 0.00 C ATOM 763 O ASP A 48 5.139 4.412 -8.783 1.00 0.00 O ATOM 764 CB ASP A 48 7.416 2.323 -9.650 1.00 0.00 C ATOM 765 CG ASP A 48 6.445 1.473 -10.428 1.00 0.00 C ATOM 766 OD1 ASP A 48 6.668 1.259 -11.636 1.00 0.00 O ATOM 767 OD2 ASP A 48 5.452 1.031 -9.829 1.00 0.00 O ATOM 0 H ASP A 48 7.997 4.051 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 48 7.588 4.095 -10.850 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.434 2.061 -9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.319 2.098 -8.588 1.00 0.00 H new ATOM 772 N ARG A 49 5.101 4.187 -11.026 1.00 0.00 N ATOM 773 CA ARG A 49 3.722 4.637 -11.172 1.00 0.00 C ATOM 774 C ARG A 49 2.718 3.646 -10.590 1.00 0.00 C ATOM 775 O ARG A 49 1.576 4.010 -10.320 1.00 0.00 O ATOM 776 CB ARG A 49 3.402 4.907 -12.640 1.00 0.00 C ATOM 777 CG ARG A 49 4.141 6.107 -13.207 1.00 0.00 C ATOM 778 CD ARG A 49 3.773 6.344 -14.658 1.00 0.00 C ATOM 779 NE ARG A 49 4.437 7.522 -15.212 1.00 0.00 N ATOM 780 CZ ARG A 49 4.644 7.710 -16.511 1.00 0.00 C ATOM 781 NH1 ARG A 49 4.306 6.771 -17.382 1.00 0.00 N ATOM 782 NH2 ARG A 49 5.208 8.830 -16.939 1.00 0.00 N ATOM 0 H ARG A 49 5.540 3.892 -11.898 1.00 0.00 H new ATOM 0 HA ARG A 49 3.629 5.562 -10.603 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.653 4.024 -13.227 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.329 5.066 -12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.904 6.994 -12.620 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.216 5.948 -13.123 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.042 5.467 -15.247 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.693 6.465 -14.742 1.00 0.00 H new ATOM 0 HE ARG A 49 4.760 8.241 -14.565 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.886 5.901 -17.056 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.466 6.918 -18.379 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.484 9.550 -16.271 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.366 8.973 -17.937 1.00 0.00 H new ATOM 796 N ALA A 50 3.136 2.409 -10.363 1.00 0.00 N ATOM 797 CA ALA A 50 2.226 1.413 -9.804 1.00 0.00 C ATOM 798 C ALA A 50 2.159 1.594 -8.301 1.00 0.00 C ATOM 799 O ALA A 50 1.090 1.512 -7.690 1.00 0.00 O ATOM 800 CB ALA A 50 2.661 0.001 -10.158 1.00 0.00 C ATOM 0 H ALA A 50 4.080 2.073 -10.552 1.00 0.00 H new ATOM 0 HA ALA A 50 1.235 1.559 -10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.961 -0.714 -9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.675 -0.114 -11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.659 -0.183 -9.761 1.00 0.00 H new ATOM 806 N HIS A 51 3.315 1.863 -7.714 1.00 0.00 N ATOM 807 CA HIS A 51 3.395 2.233 -6.312 1.00 0.00 C ATOM 808 C HIS A 51 2.588 3.502 -6.064 1.00 0.00 C ATOM 809 O HIS A 51 1.941 3.649 -5.027 1.00 0.00 O ATOM 810 CB HIS A 51 4.857 2.448 -5.898 1.00 0.00 C ATOM 811 CG HIS A 51 5.019 3.042 -4.529 1.00 0.00 C ATOM 812 ND1 HIS A 51 5.456 4.332 -4.316 1.00 0.00 N ATOM 813 CD2 HIS A 51 4.795 2.516 -3.304 1.00 0.00 C ATOM 814 CE1 HIS A 51 5.494 4.574 -3.020 1.00 0.00 C ATOM 815 NE2 HIS A 51 5.097 3.489 -2.382 1.00 0.00 N ATOM 0 H HIS A 51 4.216 1.831 -8.192 1.00 0.00 H new ATOM 0 HA HIS A 51 2.980 1.424 -5.711 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.379 1.492 -5.933 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.339 3.101 -6.626 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.710 4.996 -5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.444 1.517 -3.090 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.798 5.502 -2.559 1.00 0.00 H new ATOM 824 N GLU A 52 2.625 4.411 -7.029 1.00 0.00 N ATOM 825 CA GLU A 52 1.930 5.677 -6.900 1.00 0.00 C ATOM 826 C GLU A 52 0.435 5.493 -7.139 1.00 0.00 C ATOM 827 O GLU A 52 -0.379 6.199 -6.557 1.00 0.00 O ATOM 828 CB GLU A 52 2.504 6.706 -7.868 1.00 0.00 C ATOM 829 CG GLU A 52 2.098 8.130 -7.534 1.00 0.00 C ATOM 830 CD GLU A 52 2.743 9.148 -8.444 1.00 0.00 C ATOM 831 OE1 GLU A 52 3.891 8.921 -8.874 1.00 0.00 O ATOM 832 OE2 GLU A 52 2.103 10.180 -8.732 1.00 0.00 O ATOM 0 H GLU A 52 3.129 4.292 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 52 2.074 6.045 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.592 6.634 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.174 6.468 -8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.014 8.221 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.369 8.348 -6.501 1.00 0.00 H new ATOM 839 N GLN A 53 0.081 4.538 -7.997 1.00 0.00 N ATOM 840 CA GLN A 53 -1.319 4.183 -8.221 1.00 0.00 C ATOM 841 C GLN A 53 -1.989 3.841 -6.896 1.00 0.00 C ATOM 842 O GLN A 53 -3.081 4.327 -6.598 1.00 0.00 O ATOM 843 CB GLN A 53 -1.429 2.998 -9.191 1.00 0.00 C ATOM 844 CG GLN A 53 -2.841 2.437 -9.339 1.00 0.00 C ATOM 845 CD GLN A 53 -3.806 3.399 -10.012 1.00 0.00 C ATOM 846 OE1 GLN A 53 -3.957 3.389 -11.233 1.00 0.00 O ATOM 847 NE2 GLN A 53 -4.472 4.229 -9.221 1.00 0.00 N ATOM 0 H GLN A 53 0.745 3.996 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.826 5.039 -8.665 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.070 3.312 -10.171 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.768 2.201 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.798 1.514 -9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.226 2.178 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.318 4.206 -8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.138 4.890 -9.621 1.00 0.00 H new ATOM 856 N ALA A 54 -1.320 3.015 -6.101 1.00 0.00 N ATOM 857 CA ALA A 54 -1.818 2.656 -4.781 1.00 0.00 C ATOM 858 C ALA A 54 -1.842 3.876 -3.867 1.00 0.00 C ATOM 859 O ALA A 54 -2.822 4.115 -3.164 1.00 0.00 O ATOM 860 CB ALA A 54 -0.961 1.556 -4.173 1.00 0.00 C ATOM 0 H ALA A 54 -0.431 2.581 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.837 2.285 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.346 1.298 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.990 0.676 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.068 1.905 -4.082 1.00 0.00 H new ATOM 866 N LEU A 55 -0.765 4.654 -3.905 1.00 0.00 N ATOM 867 CA LEU A 55 -0.632 5.850 -3.074 1.00 0.00 C ATOM 868 C LEU A 55 -1.745 6.855 -3.368 1.00 0.00 C ATOM 869 O LEU A 55 -2.359 7.404 -2.450 1.00 0.00 O ATOM 870 CB LEU A 55 0.736 6.495 -3.315 1.00 0.00 C ATOM 871 CG LEU A 55 1.033 7.748 -2.485 1.00 0.00 C ATOM 872 CD1 LEU A 55 1.073 7.414 -1.002 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.346 8.376 -2.927 1.00 0.00 C ATOM 0 H LEU A 55 0.038 4.476 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.716 5.553 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.508 5.754 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.815 6.753 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 55 0.231 8.468 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.285 8.318 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.109 7.008 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.853 6.676 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.544 9.265 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.156 7.659 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.280 8.654 -3.979 1.00 0.00 H new ATOM 885 N ARG A 56 -2.005 7.083 -4.651 1.00 0.00 N ATOM 886 CA ARG A 56 -3.050 8.006 -5.077 1.00 0.00 C ATOM 887 C ARG A 56 -4.414 7.539 -4.582 1.00 0.00 C ATOM 888 O ARG A 56 -5.231 8.342 -4.130 1.00 0.00 O ATOM 889 CB ARG A 56 -3.059 8.140 -6.604 1.00 0.00 C ATOM 890 CG ARG A 56 -1.834 8.846 -7.166 1.00 0.00 C ATOM 891 CD ARG A 56 -1.875 8.907 -8.686 1.00 0.00 C ATOM 892 NE ARG A 56 -0.673 9.524 -9.247 1.00 0.00 N ATOM 893 CZ ARG A 56 -0.567 9.942 -10.508 1.00 0.00 C ATOM 894 NH1 ARG A 56 -1.590 9.815 -11.343 1.00 0.00 N ATOM 895 NH2 ARG A 56 0.569 10.479 -10.928 1.00 0.00 N ATOM 0 H ARG A 56 -1.502 6.638 -5.419 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.839 8.983 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.129 7.146 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.952 8.687 -6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.777 9.857 -6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.933 8.324 -6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.984 7.899 -9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.752 9.472 -9.002 1.00 0.00 H new ATOM 0 HE ARG A 56 0.134 9.642 -8.635 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.462 9.396 -11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.504 10.136 -12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.357 10.571 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.655 10.800 -11.892 1.00 0.00 H new ATOM 909 N LEU A 57 -4.645 6.233 -4.651 1.00 0.00 N ATOM 910 CA LEU A 57 -5.902 5.660 -4.193 1.00 0.00 C ATOM 911 C LEU A 57 -6.020 5.744 -2.680 1.00 0.00 C ATOM 912 O LEU A 57 -7.109 5.952 -2.155 1.00 0.00 O ATOM 913 CB LEU A 57 -6.039 4.210 -4.643 1.00 0.00 C ATOM 914 CG LEU A 57 -6.214 4.011 -6.147 1.00 0.00 C ATOM 915 CD1 LEU A 57 -6.306 2.534 -6.467 1.00 0.00 C ATOM 916 CD2 LEU A 57 -7.451 4.748 -6.643 1.00 0.00 C ATOM 0 H LEU A 57 -3.979 5.554 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.708 6.242 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.154 3.661 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.894 3.767 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.346 4.425 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.431 2.402 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.393 2.034 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.161 2.102 -5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.560 4.595 -7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.333 4.364 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.347 5.813 -6.437 1.00 0.00 H new ATOM 928 N CYS A 58 -4.901 5.585 -1.981 1.00 0.00 N ATOM 929 CA CYS A 58 -4.888 5.721 -0.528 1.00 0.00 C ATOM 930 C CYS A 58 -5.341 7.122 -0.132 1.00 0.00 C ATOM 931 O CYS A 58 -6.146 7.290 0.781 1.00 0.00 O ATOM 932 CB CYS A 58 -3.494 5.433 0.033 1.00 0.00 C ATOM 933 SG CYS A 58 -2.918 3.745 -0.261 1.00 0.00 S ATOM 0 H CYS A 58 -3.995 5.363 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.580 4.992 -0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.784 6.131 -0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.499 5.623 1.106 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.621 3.601 -1.518 1.00 0.00 H new ATOM 939 N ARG A 59 -4.840 8.120 -0.851 1.00 0.00 N ATOM 940 CA ARG A 59 -5.239 9.504 -0.627 1.00 0.00 C ATOM 941 C ARG A 59 -6.728 9.670 -0.911 1.00 0.00 C ATOM 942 O ARG A 59 -7.458 10.276 -0.129 1.00 0.00 O ATOM 943 CB ARG A 59 -4.429 10.443 -1.527 1.00 0.00 C ATOM 944 CG ARG A 59 -4.631 11.919 -1.219 1.00 0.00 C ATOM 945 CD ARG A 59 -3.893 12.795 -2.216 1.00 0.00 C ATOM 946 NE ARG A 59 -3.905 14.205 -1.830 1.00 0.00 N ATOM 947 CZ ARG A 59 -4.000 15.214 -2.698 1.00 0.00 C ATOM 948 NH1 ARG A 59 -4.197 14.978 -3.989 1.00 0.00 N ATOM 949 NH2 ARG A 59 -3.927 16.464 -2.264 1.00 0.00 N ATOM 0 H ARG A 59 -4.155 7.996 -1.596 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.043 9.760 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.371 10.203 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.701 10.258 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.695 12.155 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.278 12.134 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.862 12.453 -2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.349 12.686 -3.200 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.837 14.431 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.277 14.018 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.268 15.756 -4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.799 16.652 -1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.999 17.238 -2.924 1.00 0.00 H new ATOM 963 N ALA A 60 -7.171 9.104 -2.026 1.00 0.00 N ATOM 964 CA ALA A 60 -8.566 9.193 -2.434 1.00 0.00 C ATOM 965 C ALA A 60 -9.479 8.433 -1.475 1.00 0.00 C ATOM 966 O ALA A 60 -10.652 8.769 -1.325 1.00 0.00 O ATOM 967 CB ALA A 60 -8.732 8.675 -3.853 1.00 0.00 C ATOM 0 H ALA A 60 -6.580 8.575 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.858 10.243 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.779 8.747 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.123 9.272 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.413 7.634 -3.900 1.00 0.00 H new ATOM 973 N SER A 61 -8.940 7.410 -0.825 1.00 0.00 N ATOM 974 CA SER A 61 -9.687 6.664 0.177 1.00 0.00 C ATOM 975 C SER A 61 -9.914 7.530 1.408 1.00 0.00 C ATOM 976 O SER A 61 -10.980 7.494 2.017 1.00 0.00 O ATOM 977 CB SER A 61 -8.944 5.382 0.559 1.00 0.00 C ATOM 978 OG SER A 61 -8.727 4.561 -0.575 1.00 0.00 O ATOM 0 H SER A 61 -7.987 7.078 -0.974 1.00 0.00 H new ATOM 0 HA SER A 61 -10.654 6.387 -0.244 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.988 5.635 1.017 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.519 4.833 1.305 1.00 0.00 H new ATOM 0 HG SER A 61 -8.133 5.022 -1.204 1.00 0.00 H new ATOM 984 N LEU A 62 -8.913 8.341 1.742 1.00 0.00 N ATOM 985 CA LEU A 62 -9.014 9.269 2.864 1.00 0.00 C ATOM 986 C LEU A 62 -10.025 10.367 2.539 1.00 0.00 C ATOM 987 O LEU A 62 -10.555 11.038 3.426 1.00 0.00 O ATOM 988 CB LEU A 62 -7.644 9.889 3.160 1.00 0.00 C ATOM 989 CG LEU A 62 -6.488 8.894 3.297 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.190 9.627 3.593 1.00 0.00 C ATOM 991 CD2 LEU A 62 -6.779 7.866 4.380 1.00 0.00 C ATOM 0 H LEU A 62 -8.020 8.374 1.250 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.351 8.724 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.403 10.593 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.716 10.465 4.083 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.381 8.365 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.378 8.906 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.969 10.318 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.291 10.184 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.942 7.172 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.919 8.373 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.685 7.316 4.126 1.00 0.00 H new ATOM 1003 N MET A 63 -10.279 10.537 1.249 1.00 0.00 N ATOM 1004 CA MET A 63 -11.256 11.502 0.762 1.00 0.00 C ATOM 1005 C MET A 63 -12.640 10.866 0.685 1.00 0.00 C ATOM 1006 O MET A 63 -13.618 11.519 0.318 1.00 0.00 O ATOM 1007 CB MET A 63 -10.845 12.002 -0.623 1.00 0.00 C ATOM 1008 CG MET A 63 -9.492 12.693 -0.654 1.00 0.00 C ATOM 1009 SD MET A 63 -8.854 12.891 -2.330 1.00 0.00 S ATOM 1010 CE MET A 63 -10.141 13.889 -3.076 1.00 0.00 C ATOM 0 H MET A 63 -9.814 10.010 0.510 1.00 0.00 H new ATOM 0 HA MET A 63 -11.292 12.341 1.456 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.826 11.158 -1.312 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.604 12.694 -0.988 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.577 13.672 -0.183 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.780 12.117 -0.064 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.688 14.686 -3.666 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.757 13.264 -3.723 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.762 14.325 -2.294 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.710 9.583 1.021 1.00 0.00 N ATOM 1021 CA GLY A 64 -13.967 8.858 0.965 1.00 0.00 C ATOM 1022 C GLY A 64 -14.415 8.589 -0.457 1.00 0.00 C ATOM 1023 O GLY A 64 -15.586 8.314 -0.705 1.00 0.00 O ATOM 0 H GLY A 64 -11.913 9.028 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.861 7.911 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.737 9.430 1.484 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.481 8.667 -1.395 1.00 0.00 N ATOM 1028 CA ASP A 65 -13.800 8.494 -2.805 1.00 0.00 C ATOM 1029 C ASP A 65 -13.561 7.054 -3.240 1.00 0.00 C ATOM 1030 O ASP A 65 -14.266 6.523 -4.099 1.00 0.00 O ATOM 1031 CB ASP A 65 -12.964 9.448 -3.656 1.00 0.00 C ATOM 1032 CG ASP A 65 -13.406 9.462 -5.103 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -14.481 10.019 -5.388 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -12.671 8.930 -5.962 1.00 0.00 O ATOM 0 H ASP A 65 -12.496 8.849 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.856 8.725 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.036 10.455 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.915 9.156 -3.601 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.560 6.428 -2.635 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.239 5.037 -2.923 1.00 0.00 C ATOM 1041 C VAL A 66 -12.569 4.163 -1.718 1.00 0.00 C ATOM 1042 O VAL A 66 -11.919 4.251 -0.678 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.750 4.868 -3.302 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.421 3.410 -3.569 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.412 5.713 -4.517 1.00 0.00 C ATOM 0 H VAL A 66 -11.955 6.864 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.843 4.724 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.147 5.207 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.368 3.317 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.623 2.822 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.035 3.043 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.360 5.582 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.029 5.402 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.604 6.763 -4.295 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.593 3.335 -1.860 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.074 2.521 -0.754 1.00 0.00 C ATOM 1057 C ALA A 67 -13.305 1.209 -0.617 1.00 0.00 C ATOM 1058 O ALA A 67 -13.652 0.205 -1.238 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.563 2.247 -0.905 1.00 0.00 C ATOM 0 H ALA A 67 -14.108 3.209 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.903 3.091 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.907 1.637 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.108 3.191 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.742 1.716 -1.840 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.230 1.253 0.164 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.563 0.046 0.637 1.00 0.00 C ATOM 1067 C GLY A 68 -11.012 -0.868 -0.449 1.00 0.00 C ATOM 1068 O GLY A 68 -9.880 -0.687 -0.908 1.00 0.00 O ATOM 0 H GLY A 68 -11.800 2.120 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.742 0.339 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.267 -0.523 1.243 1.00 0.00 H new ATOM 1072 N GLU A 69 -11.810 -1.859 -0.843 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.352 -2.953 -1.698 1.00 0.00 C ATOM 1074 C GLU A 69 -10.795 -2.466 -3.037 1.00 0.00 C ATOM 1075 O GLU A 69 -9.922 -3.112 -3.618 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.489 -3.945 -1.936 1.00 0.00 C ATOM 1077 CG GLU A 69 -12.051 -5.202 -2.668 1.00 0.00 C ATOM 1078 CD GLU A 69 -13.176 -6.196 -2.843 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -13.373 -7.039 -1.944 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -13.861 -6.142 -3.884 1.00 0.00 O ATOM 0 H GLU A 69 -12.793 -1.926 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.534 -3.445 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.923 -4.225 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.275 -3.454 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.657 -4.929 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.237 -5.674 -2.117 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.288 -1.339 -3.527 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.772 -0.774 -4.770 1.00 0.00 C ATOM 1089 C ILE A 70 -9.283 -0.454 -4.620 1.00 0.00 C ATOM 1090 O ILE A 70 -8.448 -0.888 -5.424 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.542 0.500 -5.175 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -13.043 0.205 -5.260 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -11.027 1.035 -6.506 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.887 1.420 -5.584 1.00 0.00 C ATOM 0 H ILE A 70 -12.036 -0.801 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.910 -1.516 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.379 1.263 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.212 -0.557 -6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.376 -0.214 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.582 1.934 -6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.968 1.276 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.163 0.279 -7.279 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.937 1.132 -5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.749 2.175 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.583 1.828 -6.548 1.00 0.00 H new ATOM 1106 N ALA A 71 -8.956 0.272 -3.554 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.570 0.594 -3.241 1.00 0.00 C ATOM 1108 C ALA A 71 -6.792 -0.680 -2.941 1.00 0.00 C ATOM 1109 O ALA A 71 -5.631 -0.805 -3.313 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.498 1.557 -2.065 1.00 0.00 C ATOM 0 H ALA A 71 -9.635 0.648 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.120 1.081 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.455 1.786 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.027 2.477 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.960 1.099 -1.191 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.454 -1.625 -2.279 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.866 -2.932 -1.988 1.00 0.00 C ATOM 1118 C ARG A 72 -6.390 -3.607 -3.271 1.00 0.00 C ATOM 1119 O ARG A 72 -5.244 -4.043 -3.363 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.893 -3.831 -1.291 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.476 -5.290 -1.222 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.677 -6.202 -1.029 1.00 0.00 C ATOM 1123 NE ARG A 72 -8.317 -7.607 -1.175 1.00 0.00 N ATOM 1124 CZ ARG A 72 -9.024 -8.496 -1.867 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -10.164 -8.145 -2.451 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -8.582 -9.737 -1.970 1.00 0.00 N ATOM 0 H ARG A 72 -8.406 -1.509 -1.931 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.011 -2.780 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.060 -3.461 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.844 -3.758 -1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.953 -5.564 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.774 -5.431 -0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.104 -6.037 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.448 -5.947 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.466 -7.930 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.504 -7.187 -2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.699 -8.834 -2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.706 -10.005 -1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.117 -10.427 -2.498 1.00 0.00 H new ATOM 1140 N THR A 73 -7.281 -3.671 -4.256 1.00 0.00 N ATOM 1141 CA THR A 73 -6.995 -4.326 -5.527 1.00 0.00 C ATOM 1142 C THR A 73 -5.723 -3.757 -6.163 1.00 0.00 C ATOM 1143 O THR A 73 -4.838 -4.502 -6.601 1.00 0.00 O ATOM 1144 CB THR A 73 -8.176 -4.160 -6.508 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.405 -4.537 -5.868 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.978 -5.015 -7.751 1.00 0.00 C ATOM 0 H THR A 73 -8.218 -3.272 -4.196 1.00 0.00 H new ATOM 0 HA THR A 73 -6.846 -5.386 -5.323 1.00 0.00 H new ATOM 0 HB THR A 73 -8.220 -3.112 -6.805 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.617 -3.892 -5.161 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.824 -4.879 -8.425 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.060 -4.715 -8.256 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.908 -6.064 -7.464 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.624 -2.436 -6.188 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.464 -1.783 -6.783 1.00 0.00 C ATOM 1156 C ALA A 74 -3.246 -1.854 -5.865 1.00 0.00 C ATOM 1157 O ALA A 74 -2.111 -1.898 -6.338 1.00 0.00 O ATOM 1158 CB ALA A 74 -4.783 -0.344 -7.121 1.00 0.00 C ATOM 0 H ALA A 74 -6.324 -1.799 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.220 -2.317 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.906 0.129 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.610 -0.312 -7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.063 0.190 -6.213 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.479 -1.864 -4.558 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.388 -1.935 -3.593 1.00 0.00 C ATOM 1166 C PHE A 75 -1.658 -3.267 -3.736 1.00 0.00 C ATOM 1167 O PHE A 75 -0.428 -3.325 -3.706 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.915 -1.772 -2.161 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.843 -1.488 -1.143 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -1.467 -0.184 -0.869 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.212 -2.520 -0.463 1.00 0.00 C ATOM 1172 CE1 PHE A 75 -0.483 0.089 0.062 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.225 -2.252 0.470 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.138 -0.946 0.731 1.00 0.00 C ATOM 0 H PHE A 75 -4.410 -1.824 -4.143 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.693 -1.120 -3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.643 -0.961 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.443 -2.681 -1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.949 0.630 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.494 -3.543 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.200 1.111 0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.260 -3.063 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.908 -0.734 1.458 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.432 -4.336 -3.901 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.875 -5.662 -4.124 1.00 0.00 C ATOM 1186 C VAL A 76 -1.112 -5.694 -5.447 1.00 0.00 C ATOM 1187 O VAL A 76 -0.043 -6.297 -5.545 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.978 -6.746 -4.125 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -2.393 -8.125 -4.392 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.734 -6.738 -2.803 1.00 0.00 C ATOM 0 H VAL A 76 -3.451 -4.307 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.190 -5.879 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.676 -6.514 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.192 -8.866 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.900 -8.129 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.667 -8.369 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.506 -7.507 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.041 -6.939 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.197 -5.762 -2.654 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.658 -5.021 -6.454 1.00 0.00 N ATOM 1201 CA ALA A 77 -0.993 -4.909 -7.748 1.00 0.00 C ATOM 1202 C ALA A 77 0.383 -4.261 -7.601 1.00 0.00 C ATOM 1203 O ALA A 77 1.362 -4.716 -8.191 1.00 0.00 O ATOM 1204 CB ALA A 77 -1.848 -4.110 -8.715 1.00 0.00 C ATOM 0 H ALA A 77 -2.558 -4.545 -6.400 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.857 -5.914 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.338 -4.035 -9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.807 -4.610 -8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.014 -3.110 -8.314 1.00 0.00 H new ATOM 1210 N ALA A 78 0.451 -3.205 -6.797 1.00 0.00 N ATOM 1211 CA ALA A 78 1.709 -2.513 -6.547 1.00 0.00 C ATOM 1212 C ALA A 78 2.666 -3.391 -5.745 1.00 0.00 C ATOM 1213 O ALA A 78 3.871 -3.415 -6.005 1.00 0.00 O ATOM 1214 CB ALA A 78 1.454 -1.204 -5.815 1.00 0.00 C ATOM 0 H ALA A 78 -0.352 -2.810 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 78 2.174 -2.295 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.402 -0.697 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.812 -0.566 -6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.965 -1.409 -4.863 1.00 0.00 H new ATOM 1220 N SER A 79 2.116 -4.125 -4.787 1.00 0.00 N ATOM 1221 CA SER A 79 2.912 -4.990 -3.924 1.00 0.00 C ATOM 1222 C SER A 79 3.473 -6.180 -4.705 1.00 0.00 C ATOM 1223 O SER A 79 4.449 -6.805 -4.285 1.00 0.00 O ATOM 1224 CB SER A 79 2.065 -5.478 -2.749 1.00 0.00 C ATOM 1225 OG SER A 79 1.509 -4.383 -2.037 1.00 0.00 O ATOM 0 H SER A 79 1.116 -4.139 -4.587 1.00 0.00 H new ATOM 0 HA SER A 79 3.753 -4.412 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.266 -6.123 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.678 -6.080 -2.078 1.00 0.00 H new ATOM 0 HG SER A 79 0.811 -3.960 -2.580 1.00 0.00 H new ATOM 1231 N ARG A 80 2.855 -6.482 -5.847 1.00 0.00 N ATOM 1232 CA ARG A 80 3.328 -7.553 -6.720 1.00 0.00 C ATOM 1233 C ARG A 80 4.763 -7.289 -7.162 1.00 0.00 C ATOM 1234 O ARG A 80 5.574 -8.210 -7.270 1.00 0.00 O ATOM 1235 CB ARG A 80 2.424 -7.679 -7.953 1.00 0.00 C ATOM 1236 CG ARG A 80 2.925 -8.690 -8.974 1.00 0.00 C ATOM 1237 CD ARG A 80 2.168 -8.588 -10.289 1.00 0.00 C ATOM 1238 NE ARG A 80 2.750 -9.454 -11.313 1.00 0.00 N ATOM 1239 CZ ARG A 80 2.884 -9.113 -12.595 1.00 0.00 C ATOM 1240 NH1 ARG A 80 2.436 -7.943 -13.032 1.00 0.00 N ATOM 1241 NH2 ARG A 80 3.465 -9.948 -13.447 1.00 0.00 N ATOM 0 H ARG A 80 2.024 -5.998 -6.188 1.00 0.00 H new ATOM 0 HA ARG A 80 3.296 -8.487 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.423 -7.965 -7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.338 -6.704 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.988 -8.529 -9.153 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.819 -9.697 -8.571 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.125 -8.861 -10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.178 -7.555 -10.636 1.00 0.00 H new ATOM 0 HE ARG A 80 3.074 -10.378 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.985 -7.296 -12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.543 -7.691 -14.014 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.809 -10.851 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.567 -9.687 -14.428 1.00 0.00 H new ATOM 1255 N GLN A 81 5.077 -6.019 -7.389 1.00 0.00 N ATOM 1256 CA GLN A 81 6.396 -5.627 -7.870 1.00 0.00 C ATOM 1257 C GLN A 81 7.451 -5.790 -6.777 1.00 0.00 C ATOM 1258 O GLN A 81 8.648 -5.816 -7.056 1.00 0.00 O ATOM 1259 CB GLN A 81 6.357 -4.183 -8.373 1.00 0.00 C ATOM 1260 CG GLN A 81 5.365 -3.974 -9.507 1.00 0.00 C ATOM 1261 CD GLN A 81 5.323 -2.543 -10.007 1.00 0.00 C ATOM 1262 OE1 GLN A 81 5.055 -2.296 -11.184 1.00 0.00 O ATOM 1263 NE2 GLN A 81 5.572 -1.593 -9.122 1.00 0.00 N ATOM 0 H GLN A 81 4.433 -5.241 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 81 6.672 -6.282 -8.696 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.098 -3.523 -7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.352 -3.895 -8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.625 -4.634 -10.335 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.370 -4.263 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.790 -1.840 -8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.546 -0.613 -9.405 1.00 0.00 H new ATOM 1272 N ALA A 82 6.998 -5.913 -5.536 1.00 0.00 N ATOM 1273 CA ALA A 82 7.898 -6.140 -4.415 1.00 0.00 C ATOM 1274 C ALA A 82 8.125 -7.635 -4.215 1.00 0.00 C ATOM 1275 O ALA A 82 8.919 -8.045 -3.370 1.00 0.00 O ATOM 1276 CB ALA A 82 7.340 -5.508 -3.148 1.00 0.00 C ATOM 0 H ALA A 82 6.012 -5.859 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 82 8.857 -5.671 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.025 -5.687 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.224 -4.435 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.370 -5.949 -2.918 1.00 0.00 H new ATOM 1282 N HIS A 83 7.405 -8.438 -5.003 1.00 0.00 N ATOM 1283 CA HIS A 83 7.525 -9.899 -4.979 1.00 0.00 C ATOM 1284 C HIS A 83 7.165 -10.465 -3.611 1.00 0.00 C ATOM 1285 O HIS A 83 7.609 -11.549 -3.239 1.00 0.00 O ATOM 1286 CB HIS A 83 8.939 -10.341 -5.374 1.00 0.00 C ATOM 1287 CG HIS A 83 9.308 -9.975 -6.777 1.00 0.00 C ATOM 1288 ND1 HIS A 83 10.172 -8.949 -7.079 1.00 0.00 N ATOM 1289 CD2 HIS A 83 8.926 -10.504 -7.962 1.00 0.00 C ATOM 1290 CE1 HIS A 83 10.302 -8.857 -8.387 1.00 0.00 C ATOM 1291 NE2 HIS A 83 9.558 -9.791 -8.948 1.00 0.00 N ATOM 0 H HIS A 83 6.721 -8.093 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 83 6.818 -10.293 -5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.657 -9.890 -4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.020 -11.422 -5.255 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.249 -11.333 -8.105 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.914 -8.138 -8.911 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.468 -9.956 -9.951 1.00 0.00 H new ATOM 1300 N CYS A 84 6.323 -9.749 -2.886 1.00 0.00 N ATOM 1301 CA CYS A 84 5.908 -10.177 -1.567 1.00 0.00 C ATOM 1302 C CYS A 84 4.428 -9.878 -1.382 1.00 0.00 C ATOM 1303 O CYS A 84 4.046 -8.801 -0.927 1.00 0.00 O ATOM 1304 CB CYS A 84 6.745 -9.487 -0.484 1.00 0.00 C ATOM 1305 SG CYS A 84 6.565 -10.207 1.164 1.00 0.00 S ATOM 0 H CYS A 84 5.914 -8.866 -3.192 1.00 0.00 H new ATOM 0 HA CYS A 84 6.068 -11.251 -1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.795 -9.526 -0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.466 -8.434 -0.441 1.00 0.00 H new ATOM 0 HG CYS A 84 7.081 -9.404 2.047 1.00 0.00 H new ATOM 1311 N LEU A 85 3.597 -10.819 -1.798 1.00 0.00 N ATOM 1312 CA LEU A 85 2.158 -10.681 -1.674 1.00 0.00 C ATOM 1313 C LEU A 85 1.657 -11.401 -0.438 1.00 0.00 C ATOM 1314 O LEU A 85 1.868 -12.605 -0.272 1.00 0.00 O ATOM 1315 CB LEU A 85 1.453 -11.221 -2.916 1.00 0.00 C ATOM 1316 CG LEU A 85 1.707 -10.423 -4.192 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.004 -11.072 -5.370 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.240 -8.988 -4.020 1.00 0.00 C ATOM 0 H LEU A 85 3.899 -11.693 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 85 1.929 -9.620 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.771 -12.251 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.380 -11.245 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 85 2.779 -10.416 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.195 -10.491 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.380 -12.086 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.069 -11.106 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.428 -8.432 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.172 -8.977 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.784 -8.524 -3.197 1.00 0.00 H new ATOM 1330 N MET A 86 0.996 -10.651 0.419 1.00 0.00 N ATOM 1331 CA MET A 86 0.478 -11.179 1.669 1.00 0.00 C ATOM 1332 C MET A 86 -0.634 -10.275 2.186 1.00 0.00 C ATOM 1333 O MET A 86 -0.382 -9.220 2.756 1.00 0.00 O ATOM 1334 CB MET A 86 1.613 -11.302 2.701 1.00 0.00 C ATOM 1335 CG MET A 86 1.176 -11.824 4.065 1.00 0.00 C ATOM 1336 SD MET A 86 2.570 -12.114 5.176 1.00 0.00 S ATOM 1337 CE MET A 86 3.444 -13.404 4.291 1.00 0.00 C ATOM 0 H MET A 86 0.802 -9.661 0.272 1.00 0.00 H new ATOM 0 HA MET A 86 0.065 -12.173 1.500 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.380 -11.966 2.301 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.075 -10.323 2.832 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.494 -11.107 4.523 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.621 -12.753 3.934 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.049 -13.980 4.991 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.725 -14.064 3.805 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.090 -12.954 3.537 1.00 0.00 H new ATOM 1347 N GLU A 87 -1.870 -10.660 1.931 1.00 0.00 N ATOM 1348 CA GLU A 87 -3.007 -9.917 2.447 1.00 0.00 C ATOM 1349 C GLU A 87 -3.332 -10.430 3.833 1.00 0.00 C ATOM 1350 O GLU A 87 -3.171 -9.728 4.833 1.00 0.00 O ATOM 1351 CB GLU A 87 -4.212 -10.068 1.524 1.00 0.00 C ATOM 1352 CG GLU A 87 -3.968 -9.555 0.118 1.00 0.00 C ATOM 1353 CD GLU A 87 -5.195 -9.674 -0.753 1.00 0.00 C ATOM 1354 OE1 GLU A 87 -6.179 -8.959 -0.489 1.00 0.00 O ATOM 1355 OE2 GLU A 87 -5.186 -10.501 -1.691 1.00 0.00 O ATOM 0 H GLU A 87 -2.113 -11.478 1.373 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.759 -8.857 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.491 -11.120 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.058 -9.533 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.656 -8.512 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.148 -10.114 -0.334 1.00 0.00 H new ATOM 1362 N ASP A 88 -3.769 -11.670 3.875 1.00 0.00 N ATOM 1363 CA ASP A 88 -3.932 -12.389 5.119 1.00 0.00 C ATOM 1364 C ASP A 88 -2.638 -13.127 5.432 1.00 0.00 C ATOM 1365 O ASP A 88 -1.862 -13.446 4.525 1.00 0.00 O ATOM 1366 CB ASP A 88 -5.105 -13.372 5.021 1.00 0.00 C ATOM 1367 CG ASP A 88 -4.937 -14.364 3.888 1.00 0.00 C ATOM 1368 OD1 ASP A 88 -5.097 -13.965 2.715 1.00 0.00 O ATOM 1369 OD2 ASP A 88 -4.641 -15.544 4.157 1.00 0.00 O ATOM 0 H ASP A 88 -4.022 -12.208 3.046 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.153 -11.686 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.201 -13.913 5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.031 -12.815 4.878 1.00 0.00 H new ATOM 1374 N LYS A 89 -2.395 -13.378 6.705 1.00 0.00 N ATOM 1375 CA LYS A 89 -1.175 -14.049 7.129 1.00 0.00 C ATOM 1376 C LYS A 89 -1.223 -15.536 6.815 1.00 0.00 C ATOM 1377 O LYS A 89 -2.283 -16.092 6.531 1.00 0.00 O ATOM 1378 CB LYS A 89 -0.959 -13.879 8.629 1.00 0.00 C ATOM 1379 CG LYS A 89 -0.405 -12.532 9.046 1.00 0.00 C ATOM 1380 CD LYS A 89 -0.178 -12.509 10.544 1.00 0.00 C ATOM 1381 CE LYS A 89 0.636 -11.313 10.992 1.00 0.00 C ATOM 1382 NZ LYS A 89 0.891 -11.357 12.454 1.00 0.00 N ATOM 0 H LYS A 89 -3.026 -13.128 7.466 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.352 -13.591 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.910 -14.038 9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.279 -14.658 8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.532 -12.337 8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.098 -11.740 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.142 -12.499 11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.332 -13.424 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.584 -11.293 10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.107 -10.394 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.743 -10.803 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.076 -10.955 12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.032 -12.343 12.752 1.00 0.00 H new ATOM 1396 N ALA A 90 -0.064 -16.174 6.884 1.00 0.00 N ATOM 1397 CA ALA A 90 0.014 -17.622 6.802 1.00 0.00 C ATOM 1398 C ALA A 90 -0.232 -18.209 8.185 1.00 0.00 C ATOM 1399 O ALA A 90 -0.358 -19.424 8.356 1.00 0.00 O ATOM 1400 CB ALA A 90 1.365 -18.059 6.257 1.00 0.00 C ATOM 0 H ALA A 90 0.837 -15.709 6.997 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.748 -17.989 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.401 -19.147 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.507 -17.642 5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.156 -17.701 6.916 1.00 0.00 H new ATOM 1406 N GLU A 91 -0.282 -17.316 9.171 1.00 0.00 N ATOM 1407 CA GLU A 91 -0.637 -17.676 10.534 1.00 0.00 C ATOM 1408 C GLU A 91 -2.151 -17.731 10.653 1.00 0.00 C ATOM 1409 O GLU A 91 -2.805 -16.699 10.826 1.00 0.00 O ATOM 1410 CB GLU A 91 -0.090 -16.647 11.528 1.00 0.00 C ATOM 1411 CG GLU A 91 1.293 -16.127 11.181 1.00 0.00 C ATOM 1412 CD GLU A 91 1.873 -15.236 12.261 1.00 0.00 C ATOM 1413 OE1 GLU A 91 1.234 -14.229 12.625 1.00 0.00 O ATOM 1414 OE2 GLU A 91 2.971 -15.552 12.759 1.00 0.00 O ATOM 0 H GLU A 91 -0.077 -16.325 9.044 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.202 -18.648 10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.781 -15.805 11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.059 -17.097 12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 91 1.962 -16.971 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 91 1.243 -15.570 10.245 1.00 0.00 H new ATOM 1421 N ALA A 92 -2.709 -18.924 10.544 1.00 0.00 N ATOM 1422 CA ALA A 92 -4.151 -19.081 10.534 1.00 0.00 C ATOM 1423 C ALA A 92 -4.630 -19.861 11.748 1.00 0.00 C ATOM 1424 O ALA A 92 -4.498 -21.083 11.804 1.00 0.00 O ATOM 1425 CB ALA A 92 -4.603 -19.764 9.250 1.00 0.00 C ATOM 0 H ALA A 92 -2.186 -19.796 10.461 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.596 -18.087 10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.687 -19.874 9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.306 -19.160 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.139 -20.748 9.178 1.00 0.00 H new ATOM 1431 N PRO A 93 -5.177 -19.155 12.749 1.00 0.00 N ATOM 1432 CA PRO A 93 -5.785 -19.783 13.924 1.00 0.00 C ATOM 1433 C PRO A 93 -7.106 -20.453 13.568 1.00 0.00 C ATOM 1434 O PRO A 93 -7.636 -21.270 14.327 1.00 0.00 O ATOM 1435 CB PRO A 93 -6.021 -18.613 14.891 1.00 0.00 C ATOM 1436 CG PRO A 93 -5.265 -17.461 14.317 1.00 0.00 C ATOM 1437 CD PRO A 93 -5.228 -17.692 12.835 1.00 0.00 C ATOM 0 HA PRO A 93 -5.154 -20.565 14.347 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.083 -18.382 14.976 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.666 -18.855 15.893 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.754 -16.516 14.553 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.257 -17.410 14.730 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.109 -17.286 12.338 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.358 -17.227 12.372 1.00 0.00 H new ATOM 1445 N ASN A 94 -7.625 -20.098 12.400 1.00 0.00 N ATOM 1446 CA ASN A 94 -8.873 -20.654 11.902 1.00 0.00 C ATOM 1447 C ASN A 94 -8.628 -22.039 11.329 1.00 0.00 C ATOM 1448 O ASN A 94 -8.525 -22.219 10.113 1.00 0.00 O ATOM 1449 CB ASN A 94 -9.482 -19.748 10.828 1.00 0.00 C ATOM 1450 CG ASN A 94 -9.672 -18.321 11.304 1.00 0.00 C ATOM 1451 OD1 ASN A 94 -9.929 -18.072 12.481 1.00 0.00 O ATOM 1452 ND2 ASN A 94 -9.530 -17.371 10.394 1.00 0.00 N ATOM 0 H ASN A 94 -7.193 -19.418 11.774 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.575 -20.724 12.733 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.838 -19.750 9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.445 -20.155 10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.634 -16.391 10.659 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.317 -17.618 9.428 1.00 0.00 H new ATOM 1459 N THR A 95 -8.507 -23.009 12.211 1.00 0.00 N ATOM 1460 CA THR A 95 -8.233 -24.372 11.811 1.00 0.00 C ATOM 1461 C THR A 95 -9.489 -25.226 11.896 1.00 0.00 C ATOM 1462 O THR A 95 -10.226 -25.171 12.882 1.00 0.00 O ATOM 1463 CB THR A 95 -7.119 -24.979 12.682 1.00 0.00 C ATOM 1464 OG1 THR A 95 -7.227 -24.481 14.023 1.00 0.00 O ATOM 1465 CG2 THR A 95 -5.747 -24.642 12.119 1.00 0.00 C ATOM 0 H THR A 95 -8.595 -22.876 13.218 1.00 0.00 H new ATOM 0 HA THR A 95 -7.897 -24.356 10.774 1.00 0.00 H new ATOM 0 HB THR A 95 -7.235 -26.063 12.684 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.517 -24.871 14.575 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.976 -25.082 12.752 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.660 -25.043 11.109 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.621 -23.560 12.092 1.00 0.00 H new ATOM 1473 N ILE A 96 -9.744 -25.993 10.848 1.00 0.00 N ATOM 1474 CA ILE A 96 -10.904 -26.866 10.809 1.00 0.00 C ATOM 1475 C ILE A 96 -10.561 -28.207 11.438 1.00 0.00 C ATOM 1476 O ILE A 96 -9.651 -28.902 10.978 1.00 0.00 O ATOM 1477 CB ILE A 96 -11.397 -27.094 9.363 1.00 0.00 C ATOM 1478 CG1 ILE A 96 -11.676 -25.754 8.679 1.00 0.00 C ATOM 1479 CG2 ILE A 96 -12.645 -27.966 9.356 1.00 0.00 C ATOM 1480 CD1 ILE A 96 -12.083 -25.884 7.226 1.00 0.00 C ATOM 0 H ILE A 96 -9.161 -26.028 10.012 1.00 0.00 H new ATOM 0 HA ILE A 96 -11.703 -26.381 11.370 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.614 -27.611 8.808 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -12.466 -25.236 9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -10.784 -25.131 8.743 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -12.978 -28.116 8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.417 -28.931 9.808 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -13.435 -27.476 9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.264 -24.893 6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -11.285 -26.373 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -12.993 -26.479 7.155 1.00 0.00 H new ATOM 1492 N ALA A 97 -11.271 -28.561 12.496 1.00 0.00 N ATOM 1493 CA ALA A 97 -11.037 -29.825 13.170 1.00 0.00 C ATOM 1494 C ALA A 97 -11.863 -30.927 12.526 1.00 0.00 C ATOM 1495 O ALA A 97 -13.002 -31.177 12.921 1.00 0.00 O ATOM 1496 CB ALA A 97 -11.350 -29.711 14.655 1.00 0.00 C ATOM 0 H ALA A 97 -12.012 -27.992 12.905 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.982 -30.081 13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.168 -30.670 15.140 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.712 -28.950 15.104 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.395 -29.431 14.786 1.00 0.00 H new ATOM 1502 N SER A 98 -11.300 -31.550 11.504 1.00 0.00 N ATOM 1503 CA SER A 98 -11.977 -32.628 10.803 1.00 0.00 C ATOM 1504 C SER A 98 -12.034 -33.868 11.685 1.00 0.00 C ATOM 1505 O SER A 98 -11.048 -34.592 11.821 1.00 0.00 O ATOM 1506 CB SER A 98 -11.251 -32.942 9.497 1.00 0.00 C ATOM 1507 OG SER A 98 -10.970 -31.752 8.773 1.00 0.00 O ATOM 0 H SER A 98 -10.373 -31.327 11.141 1.00 0.00 H new ATOM 0 HA SER A 98 -12.995 -32.315 10.571 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.322 -33.470 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.863 -33.607 8.887 1.00 0.00 H new ATOM 0 HG SER A 98 -10.503 -31.978 7.941 1.00 0.00 H new ATOM 1513 N GLY A 99 -13.181 -34.085 12.308 1.00 0.00 N ATOM 1514 CA GLY A 99 -13.343 -35.223 13.178 1.00 0.00 C ATOM 1515 C GLY A 99 -14.796 -35.515 13.474 1.00 0.00 C ATOM 1516 O GLY A 99 -15.549 -34.619 13.865 1.00 0.00 O ATOM 0 H GLY A 99 -14.004 -33.489 12.224 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.885 -36.098 12.717 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.813 -35.041 14.113 1.00 0.00 H new ATOM 1520 N SER A 100 -15.186 -36.765 13.273 1.00 0.00 N ATOM 1521 CA SER A 100 -16.540 -37.215 13.548 1.00 0.00 C ATOM 1522 C SER A 100 -16.626 -38.734 13.411 1.00 0.00 C ATOM 1523 O SER A 100 -16.428 -39.432 14.426 1.00 0.00 O ATOM 1524 CB SER A 100 -17.547 -36.516 12.623 1.00 0.00 C ATOM 1525 OG SER A 100 -17.076 -36.452 11.284 1.00 0.00 O ATOM 1526 OXT SER A 100 -16.863 -39.225 12.290 1.00 0.00 O ATOM 0 H SER A 100 -14.571 -37.496 12.914 1.00 0.00 H new ATOM 0 HA SER A 100 -16.796 -36.948 14.573 1.00 0.00 H new ATOM 0 HB2 SER A 100 -18.497 -37.050 12.649 1.00 0.00 H new ATOM 0 HB3 SER A 100 -17.738 -35.508 12.990 1.00 0.00 H new ATOM 0 HG SER A 100 -16.785 -37.343 10.997 1.00 0.00 H new TER 1532 SER A 100