USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1011 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 99 ASN : amide:sc= -1.32 K(o=-3.8,f=-7.8!) USER MOD Set 1.2: A 120 MET CE :methyl 154:sc= -2.48! (180deg=-4.54!) USER MOD Set 2.1: A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 105 THR OG1 : rot 74:sc= 0.427 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.112) USER MOD Single : A 4 ASN : amide:sc= -0.78 K(o=-0.78,f=-0.00069) USER MOD Single : A 5 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.32) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.402 K(o=0.4,f=-3.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.135 X(o=0.14,f=-0.32) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 30 GLN : amide:sc= 0.281 K(o=0.28,f=-0.69) USER MOD Single : A 31 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.4) USER MOD Single : A 32 SER OG : rot 98:sc= 1.17 USER MOD Single : A 36 MET CE :methyl 166:sc= -0.629 (180deg=-1.2) USER MOD Single : A 43 HIS : no HD1:sc=-0.00373 X(o=-0.0037,f=-0.0038) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 51 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.04) USER MOD Single : A 53 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.019) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.58! K(o=-2.6!,f=0) USER MOD Single : A 72 THR OG1 : rot 106:sc= -1.8! USER MOD Single : A 76 GLN : amide:sc= -0.97 K(o=-0.97,f=-0.0045) USER MOD Single : A 77 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.025) USER MOD Single : A 80 SER OG : rot 180:sc= 0.00778 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 170:sc= -2.69! USER MOD Single : A 89 THR OG1 : rot -89:sc= 1.23 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00802 USER MOD Single : A 106 TYR OH : rot 48:sc= 0.231 USER MOD Single : A 107 ASN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 111 SER OG : rot 69:sc= 1.23 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 128 HIS : no HD1:sc=-0.00859 X(o=-0.0086,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.58) USER MOD Single : A 130 HIS : no HE2:sc= 1.07 K(o=1.1,f=-5.6!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.989 6.938 -27.042 1.00 0.00 N ATOM 2 CA MET A 1 8.668 6.557 -26.494 1.00 0.00 C ATOM 3 C MET A 1 7.569 7.328 -27.214 1.00 0.00 C ATOM 4 O MET A 1 7.708 8.527 -27.460 1.00 0.00 O ATOM 5 CB MET A 1 8.605 6.841 -24.989 1.00 0.00 C ATOM 6 CG MET A 1 9.691 6.142 -24.187 1.00 0.00 C ATOM 7 SD MET A 1 9.702 4.356 -24.434 1.00 0.00 S ATOM 8 CE MET A 1 11.134 3.896 -23.463 1.00 0.00 C ATOM 0 H1 MET A 1 10.717 6.294 -26.672 1.00 0.00 H new ATOM 0 H2 MET A 1 9.966 6.875 -28.080 1.00 0.00 H new ATOM 0 H3 MET A 1 10.214 7.913 -26.759 1.00 0.00 H new ATOM 0 HA MET A 1 8.522 5.488 -26.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.683 7.916 -24.828 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.631 6.531 -24.611 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.662 6.549 -24.468 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.549 6.357 -23.128 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.277 2.817 -23.514 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.018 4.398 -23.858 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.981 4.193 -22.426 1.00 0.00 H new ATOM 20 N PRO A 2 6.467 6.654 -27.575 1.00 0.00 N ATOM 21 CA PRO A 2 5.368 7.276 -28.313 1.00 0.00 C ATOM 22 C PRO A 2 4.589 8.281 -27.467 1.00 0.00 C ATOM 23 O PRO A 2 3.813 7.902 -26.591 1.00 0.00 O ATOM 24 CB PRO A 2 4.463 6.097 -28.704 1.00 0.00 C ATOM 25 CG PRO A 2 5.249 4.864 -28.398 1.00 0.00 C ATOM 26 CD PRO A 2 6.201 5.238 -27.300 1.00 0.00 C ATOM 0 HA PRO A 2 5.737 7.844 -29.167 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.530 6.116 -28.141 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.198 6.140 -29.761 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.593 4.052 -28.085 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.788 4.517 -29.280 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.760 5.093 -26.314 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.112 4.641 -27.333 1.00 0.00 H new ATOM 34 N LEU A 3 4.826 9.561 -27.713 1.00 0.00 N ATOM 35 CA LEU A 3 4.085 10.618 -27.037 1.00 0.00 C ATOM 36 C LEU A 3 2.894 11.037 -27.889 1.00 0.00 C ATOM 37 O LEU A 3 3.063 11.638 -28.950 1.00 0.00 O ATOM 38 CB LEU A 3 4.995 11.821 -26.771 1.00 0.00 C ATOM 39 CG LEU A 3 4.342 12.983 -26.020 1.00 0.00 C ATOM 40 CD1 LEU A 3 3.913 12.547 -24.628 1.00 0.00 C ATOM 41 CD2 LEU A 3 5.294 14.165 -25.941 1.00 0.00 C ATOM 0 H LEU A 3 5.526 9.894 -28.376 1.00 0.00 H new ATOM 0 HA LEU A 3 3.724 10.241 -26.080 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.860 11.482 -26.201 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.368 12.191 -27.726 1.00 0.00 H new ATOM 0 HG LEU A 3 3.453 13.293 -26.570 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.451 13.387 -24.110 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.195 11.731 -24.708 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.785 12.210 -24.067 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.814 14.983 -25.404 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.201 13.867 -25.414 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.551 14.493 -26.948 1.00 0.00 H new ATOM 53 N ASN A 4 1.693 10.712 -27.437 1.00 0.00 N ATOM 54 CA ASN A 4 0.494 10.991 -28.217 1.00 0.00 C ATOM 55 C ASN A 4 -0.384 12.021 -27.519 1.00 0.00 C ATOM 56 O ASN A 4 -0.347 13.209 -27.848 1.00 0.00 O ATOM 57 CB ASN A 4 -0.307 9.707 -28.465 1.00 0.00 C ATOM 58 CG ASN A 4 0.444 8.680 -29.295 1.00 0.00 C ATOM 59 OD1 ASN A 4 0.304 7.477 -29.079 1.00 0.00 O ATOM 60 ND2 ASN A 4 1.217 9.137 -30.269 1.00 0.00 N ATOM 0 H ASN A 4 1.521 10.258 -26.540 1.00 0.00 H new ATOM 0 HA ASN A 4 0.813 11.398 -29.177 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.575 9.263 -27.506 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.239 9.961 -28.970 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.720 8.484 -30.870 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.309 10.142 -30.418 1.00 0.00 H new ATOM 67 N GLN A 5 -1.161 11.566 -26.544 1.00 0.00 N ATOM 68 CA GLN A 5 -2.078 12.440 -25.830 1.00 0.00 C ATOM 69 C GLN A 5 -1.408 13.030 -24.599 1.00 0.00 C ATOM 70 O GLN A 5 -0.890 14.148 -24.652 1.00 0.00 O ATOM 71 CB GLN A 5 -3.355 11.693 -25.430 1.00 0.00 C ATOM 72 CG GLN A 5 -4.385 11.548 -26.548 1.00 0.00 C ATOM 73 CD GLN A 5 -3.853 10.836 -27.778 1.00 0.00 C ATOM 74 OE1 GLN A 5 -3.889 9.609 -27.865 1.00 0.00 O ATOM 75 NE2 GLN A 5 -3.377 11.603 -28.748 1.00 0.00 N ATOM 0 H GLN A 5 -1.173 10.595 -26.231 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.354 13.252 -26.502 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.082 10.699 -25.074 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.818 12.215 -24.593 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.247 11.001 -26.167 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.737 12.538 -26.836 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.365 12.617 -28.637 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.023 11.180 -29.606 1.00 0.00 H new ATOM 84 N GLU A 6 -1.406 12.264 -23.506 1.00 0.00 N ATOM 85 CA GLU A 6 -0.835 12.712 -22.237 1.00 0.00 C ATOM 86 C GLU A 6 -1.431 14.058 -21.833 1.00 0.00 C ATOM 87 O GLU A 6 -0.723 15.056 -21.692 1.00 0.00 O ATOM 88 CB GLU A 6 0.697 12.788 -22.325 1.00 0.00 C ATOM 89 CG GLU A 6 1.402 11.455 -22.089 1.00 0.00 C ATOM 90 CD GLU A 6 0.838 10.313 -22.915 1.00 0.00 C ATOM 91 OE1 GLU A 6 1.241 10.154 -24.088 1.00 0.00 O ATOM 92 OE2 GLU A 6 -0.011 9.562 -22.391 1.00 0.00 O ATOM 0 H GLU A 6 -1.797 11.323 -23.476 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.087 11.983 -21.466 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.975 13.165 -23.309 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.057 13.511 -21.593 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.462 11.569 -22.318 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.330 11.198 -21.032 1.00 0.00 H new ATOM 99 N HIS A 7 -2.747 14.069 -21.667 1.00 0.00 N ATOM 100 CA HIS A 7 -3.484 15.292 -21.373 1.00 0.00 C ATOM 101 C HIS A 7 -3.243 15.777 -19.934 1.00 0.00 C ATOM 102 O HIS A 7 -2.932 16.950 -19.733 1.00 0.00 O ATOM 103 CB HIS A 7 -4.982 15.082 -21.629 1.00 0.00 C ATOM 104 CG HIS A 7 -5.781 16.349 -21.627 1.00 0.00 C ATOM 105 ND1 HIS A 7 -6.506 16.786 -20.539 1.00 0.00 N ATOM 106 CD2 HIS A 7 -5.973 17.272 -22.598 1.00 0.00 C ATOM 107 CE1 HIS A 7 -7.110 17.919 -20.843 1.00 0.00 C ATOM 108 NE2 HIS A 7 -6.801 18.236 -22.085 1.00 0.00 N ATOM 0 H HIS A 7 -3.331 13.236 -21.732 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.114 16.070 -22.041 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.110 14.585 -22.590 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.380 14.411 -20.868 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.552 17.252 -23.592 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.749 18.490 -20.186 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -7.126 19.065 -22.583 1.00 0.00 H new ATOM 117 N PRO A 8 -3.397 14.906 -18.907 1.00 0.00 N ATOM 118 CA PRO A 8 -3.137 15.292 -17.514 1.00 0.00 C ATOM 119 C PRO A 8 -1.662 15.600 -17.276 1.00 0.00 C ATOM 120 O PRO A 8 -0.816 14.704 -17.314 1.00 0.00 O ATOM 121 CB PRO A 8 -3.566 14.064 -16.696 1.00 0.00 C ATOM 122 CG PRO A 8 -4.380 13.234 -17.627 1.00 0.00 C ATOM 123 CD PRO A 8 -3.833 13.503 -18.998 1.00 0.00 C ATOM 0 HA PRO A 8 -3.676 16.199 -17.240 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.699 13.512 -16.333 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.147 14.358 -15.821 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.304 12.176 -17.376 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.435 13.500 -17.568 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.005 12.837 -19.241 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.590 13.364 -19.770 1.00 0.00 H new ATOM 131 N ASP A 9 -1.359 16.868 -17.042 1.00 0.00 N ATOM 132 CA ASP A 9 0.019 17.305 -16.865 1.00 0.00 C ATOM 133 C ASP A 9 0.399 17.340 -15.390 1.00 0.00 C ATOM 134 O ASP A 9 1.583 17.313 -15.043 1.00 0.00 O ATOM 135 CB ASP A 9 0.233 18.687 -17.501 1.00 0.00 C ATOM 136 CG ASP A 9 -0.591 19.783 -16.851 1.00 0.00 C ATOM 137 OD1 ASP A 9 -1.831 19.649 -16.796 1.00 0.00 O ATOM 138 OD2 ASP A 9 -0.001 20.800 -16.421 1.00 0.00 O ATOM 0 H ASP A 9 -2.050 17.615 -16.970 1.00 0.00 H new ATOM 0 HA ASP A 9 0.665 16.584 -17.366 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.289 18.949 -17.436 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.017 18.634 -18.561 1.00 0.00 H new ATOM 143 N TYR A 10 -0.602 17.385 -14.523 1.00 0.00 N ATOM 144 CA TYR A 10 -0.361 17.424 -13.089 1.00 0.00 C ATOM 145 C TYR A 10 -0.141 16.015 -12.549 1.00 0.00 C ATOM 146 O TYR A 10 -1.094 15.277 -12.291 1.00 0.00 O ATOM 147 CB TYR A 10 -1.526 18.101 -12.365 1.00 0.00 C ATOM 148 CG TYR A 10 -1.808 19.499 -12.863 1.00 0.00 C ATOM 149 CD1 TYR A 10 -0.877 20.514 -12.693 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.995 19.799 -13.518 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.122 21.789 -13.158 1.00 0.00 C ATOM 152 CE2 TYR A 10 -3.246 21.073 -13.991 1.00 0.00 C ATOM 153 CZ TYR A 10 -2.306 22.064 -13.806 1.00 0.00 C ATOM 154 OH TYR A 10 -2.541 23.333 -14.285 1.00 0.00 O ATOM 0 H TYR A 10 -1.587 17.395 -14.787 1.00 0.00 H new ATOM 0 HA TYR A 10 0.540 18.009 -12.907 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.422 17.492 -12.485 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.308 18.140 -11.298 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.054 20.302 -12.189 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.734 19.024 -13.660 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.389 22.569 -13.015 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.172 21.291 -14.502 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.420 23.362 -14.717 1.00 0.00 H new ATOM 164 N THR A 11 1.119 15.642 -12.401 1.00 0.00 N ATOM 165 CA THR A 11 1.473 14.307 -11.956 1.00 0.00 C ATOM 166 C THR A 11 1.838 14.296 -10.472 1.00 0.00 C ATOM 167 O THR A 11 2.632 15.118 -10.009 1.00 0.00 O ATOM 168 CB THR A 11 2.660 13.758 -12.775 1.00 0.00 C ATOM 169 OG1 THR A 11 2.396 13.918 -14.177 1.00 0.00 O ATOM 170 CG2 THR A 11 2.903 12.285 -12.472 1.00 0.00 C ATOM 0 H THR A 11 1.917 16.250 -12.584 1.00 0.00 H new ATOM 0 HA THR A 11 0.601 13.671 -12.108 1.00 0.00 H new ATOM 0 HB THR A 11 3.552 14.320 -12.497 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.152 13.570 -14.694 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.745 11.926 -13.064 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.126 12.164 -11.412 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.012 11.710 -12.723 1.00 0.00 H new ATOM 178 N TYR A 12 1.239 13.373 -9.729 1.00 0.00 N ATOM 179 CA TYR A 12 1.595 13.169 -8.333 1.00 0.00 C ATOM 180 C TYR A 12 2.896 12.380 -8.258 1.00 0.00 C ATOM 181 O TYR A 12 3.077 11.414 -8.993 1.00 0.00 O ATOM 182 CB TYR A 12 0.492 12.405 -7.592 1.00 0.00 C ATOM 183 CG TYR A 12 -0.868 13.066 -7.629 1.00 0.00 C ATOM 184 CD1 TYR A 12 -1.150 14.174 -6.839 1.00 0.00 C ATOM 185 CD2 TYR A 12 -1.877 12.573 -8.449 1.00 0.00 C ATOM 186 CE1 TYR A 12 -2.397 14.770 -6.865 1.00 0.00 C ATOM 187 CE2 TYR A 12 -3.125 13.163 -8.479 1.00 0.00 C ATOM 188 CZ TYR A 12 -3.381 14.260 -7.686 1.00 0.00 C ATOM 189 OH TYR A 12 -4.626 14.845 -7.711 1.00 0.00 O ATOM 0 H TYR A 12 0.504 12.754 -10.072 1.00 0.00 H new ATOM 0 HA TYR A 12 1.718 14.143 -7.859 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.408 11.407 -8.022 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.792 12.279 -6.552 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.382 14.576 -6.194 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.681 11.714 -9.073 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.600 15.631 -6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.897 12.766 -9.121 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.201 14.364 -8.343 1.00 0.00 H new ATOM 199 N ALA A 13 3.804 12.791 -7.387 1.00 0.00 N ATOM 200 CA ALA A 13 5.089 12.113 -7.268 1.00 0.00 C ATOM 201 C ALA A 13 5.556 12.071 -5.821 1.00 0.00 C ATOM 202 O ALA A 13 5.524 13.084 -5.121 1.00 0.00 O ATOM 203 CB ALA A 13 6.129 12.801 -8.140 1.00 0.00 C ATOM 0 H ALA A 13 3.679 13.583 -6.757 1.00 0.00 H new ATOM 0 HA ALA A 13 4.963 11.086 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.084 12.285 -8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.807 12.774 -9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.242 13.837 -7.822 1.00 0.00 H new ATOM 209 N LEU A 14 5.975 10.896 -5.372 1.00 0.00 N ATOM 210 CA LEU A 14 6.528 10.749 -4.034 1.00 0.00 C ATOM 211 C LEU A 14 7.942 11.313 -4.003 1.00 0.00 C ATOM 212 O LEU A 14 8.896 10.658 -4.424 1.00 0.00 O ATOM 213 CB LEU A 14 6.530 9.278 -3.605 1.00 0.00 C ATOM 214 CG LEU A 14 7.025 9.011 -2.180 1.00 0.00 C ATOM 215 CD1 LEU A 14 6.114 9.676 -1.160 1.00 0.00 C ATOM 216 CD2 LEU A 14 7.112 7.515 -1.922 1.00 0.00 C ATOM 0 H LEU A 14 5.942 10.032 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 14 5.905 11.303 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.516 8.888 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.153 8.715 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 14 8.022 9.440 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.484 9.473 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.100 10.752 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.104 9.280 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.465 7.341 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.126 7.067 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.807 7.064 -2.630 1.00 0.00 H new ATOM 228 N ARG A 15 8.064 12.542 -3.532 1.00 0.00 N ATOM 229 CA ARG A 15 9.343 13.235 -3.530 1.00 0.00 C ATOM 230 C ARG A 15 10.128 12.931 -2.258 1.00 0.00 C ATOM 231 O ARG A 15 11.359 12.877 -2.277 1.00 0.00 O ATOM 232 CB ARG A 15 9.123 14.744 -3.687 1.00 0.00 C ATOM 233 CG ARG A 15 8.255 15.352 -2.598 1.00 0.00 C ATOM 234 CD ARG A 15 7.841 16.774 -2.936 1.00 0.00 C ATOM 235 NE ARG A 15 8.974 17.695 -2.987 1.00 0.00 N ATOM 236 CZ ARG A 15 8.846 19.008 -3.185 1.00 0.00 C ATOM 237 NH1 ARG A 15 7.651 19.527 -3.450 1.00 0.00 N ATOM 238 NH2 ARG A 15 9.912 19.794 -3.148 1.00 0.00 N ATOM 0 H ARG A 15 7.291 13.083 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 15 9.931 12.878 -4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.091 15.245 -3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.662 14.936 -4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.365 14.738 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.799 15.346 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.330 16.780 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.125 17.126 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 15 9.912 17.314 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.832 18.921 -3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.553 20.531 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.833 19.395 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.811 20.798 -3.300 1.00 0.00 H new ATOM 252 N ALA A 16 9.406 12.719 -1.162 1.00 0.00 N ATOM 253 CA ALA A 16 10.024 12.418 0.122 1.00 0.00 C ATOM 254 C ALA A 16 8.985 11.903 1.108 1.00 0.00 C ATOM 255 O ALA A 16 7.963 12.554 1.345 1.00 0.00 O ATOM 256 CB ALA A 16 10.718 13.651 0.684 1.00 0.00 C ATOM 0 H ALA A 16 8.387 12.751 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 16 10.771 11.640 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.174 13.406 1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.490 13.982 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.988 14.448 0.822 1.00 0.00 H new ATOM 262 N ALA A 17 9.242 10.733 1.666 1.00 0.00 N ATOM 263 CA ALA A 17 8.363 10.149 2.662 1.00 0.00 C ATOM 264 C ALA A 17 9.053 10.143 4.019 1.00 0.00 C ATOM 265 O ALA A 17 10.179 9.663 4.148 1.00 0.00 O ATOM 266 CB ALA A 17 7.962 8.741 2.252 1.00 0.00 C ATOM 0 H ALA A 17 10.060 10.165 1.443 1.00 0.00 H new ATOM 0 HA ALA A 17 7.457 10.750 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.303 8.316 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.442 8.775 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.854 8.121 2.158 1.00 0.00 H new ATOM 272 N ASP A 18 8.391 10.703 5.018 1.00 0.00 N ATOM 273 CA ASP A 18 8.959 10.782 6.356 1.00 0.00 C ATOM 274 C ASP A 18 8.140 9.905 7.297 1.00 0.00 C ATOM 275 O ASP A 18 7.032 9.497 6.955 1.00 0.00 O ATOM 276 CB ASP A 18 8.976 12.237 6.844 1.00 0.00 C ATOM 277 CG ASP A 18 9.977 12.480 7.961 1.00 0.00 C ATOM 278 OD1 ASP A 18 9.689 12.111 9.119 1.00 0.00 O ATOM 279 OD2 ASP A 18 11.049 13.058 7.682 1.00 0.00 O ATOM 0 H ASP A 18 7.460 11.110 4.929 1.00 0.00 H new ATOM 0 HA ASP A 18 9.988 10.424 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.211 12.892 6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.979 12.509 7.192 1.00 0.00 H new ATOM 284 N GLY A 19 8.671 9.649 8.482 1.00 0.00 N ATOM 285 CA GLY A 19 8.073 8.681 9.382 1.00 0.00 C ATOM 286 C GLY A 19 6.652 9.019 9.799 1.00 0.00 C ATOM 287 O GLY A 19 5.820 8.124 9.954 1.00 0.00 O ATOM 0 H GLY A 19 9.514 10.098 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.076 7.703 8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.693 8.599 10.275 1.00 0.00 H new ATOM 291 N ARG A 20 6.361 10.301 9.983 1.00 0.00 N ATOM 292 CA ARG A 20 5.059 10.699 10.507 1.00 0.00 C ATOM 293 C ARG A 20 4.257 11.511 9.489 1.00 0.00 C ATOM 294 O ARG A 20 3.128 11.915 9.766 1.00 0.00 O ATOM 295 CB ARG A 20 5.234 11.496 11.803 1.00 0.00 C ATOM 296 CG ARG A 20 6.228 10.860 12.762 1.00 0.00 C ATOM 297 CD ARG A 20 6.278 11.581 14.098 1.00 0.00 C ATOM 298 NE ARG A 20 5.161 11.210 14.964 1.00 0.00 N ATOM 299 CZ ARG A 20 5.224 11.202 16.293 1.00 0.00 C ATOM 300 NH1 ARG A 20 6.337 11.575 16.916 1.00 0.00 N ATOM 301 NH2 ARG A 20 4.173 10.811 17.002 1.00 0.00 N ATOM 0 H ARG A 20 6.997 11.072 9.781 1.00 0.00 H new ATOM 0 HA ARG A 20 4.496 9.790 10.716 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.567 12.505 11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.268 11.589 12.299 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.957 9.817 12.924 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.220 10.866 12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.218 11.350 14.600 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.264 12.658 13.929 1.00 0.00 H new ATOM 0 HE ARG A 20 4.281 10.941 14.524 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.150 11.870 16.375 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.378 11.566 17.935 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.319 10.517 16.528 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.219 10.804 18.021 1.00 0.00 H new ATOM 315 N HIS A 21 4.833 11.749 8.313 1.00 0.00 N ATOM 316 CA HIS A 21 4.123 12.447 7.240 1.00 0.00 C ATOM 317 C HIS A 21 4.830 12.266 5.901 1.00 0.00 C ATOM 318 O HIS A 21 6.059 12.261 5.835 1.00 0.00 O ATOM 319 CB HIS A 21 3.927 13.944 7.549 1.00 0.00 C ATOM 320 CG HIS A 21 5.172 14.706 7.909 1.00 0.00 C ATOM 321 ND1 HIS A 21 6.344 14.640 7.189 1.00 0.00 N ATOM 322 CD2 HIS A 21 5.403 15.584 8.913 1.00 0.00 C ATOM 323 CE1 HIS A 21 7.237 15.445 7.733 1.00 0.00 C ATOM 324 NE2 HIS A 21 6.693 16.031 8.779 1.00 0.00 N ATOM 0 H HIS A 21 5.786 11.471 8.078 1.00 0.00 H new ATOM 0 HA HIS A 21 3.134 11.994 7.173 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.472 14.419 6.680 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.217 14.036 8.371 1.00 0.00 H new ATOM 0 HD1 HIS A 21 6.498 14.060 6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.701 15.879 9.679 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.246 15.598 7.379 1.00 0.00 H new ATOM 333 N ALA A 22 4.056 12.143 4.835 1.00 0.00 N ATOM 334 CA ALA A 22 4.613 11.917 3.509 1.00 0.00 C ATOM 335 C ALA A 22 4.264 13.072 2.582 1.00 0.00 C ATOM 336 O ALA A 22 3.200 13.678 2.708 1.00 0.00 O ATOM 337 CB ALA A 22 4.109 10.601 2.936 1.00 0.00 C ATOM 0 H ALA A 22 3.038 12.196 4.861 1.00 0.00 H new ATOM 0 HA ALA A 22 5.698 11.860 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.536 10.449 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.408 9.781 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.022 10.629 2.863 1.00 0.00 H new ATOM 343 N LYS A 23 5.172 13.380 1.667 1.00 0.00 N ATOM 344 CA LYS A 23 5.014 14.518 0.778 1.00 0.00 C ATOM 345 C LYS A 23 4.899 14.067 -0.673 1.00 0.00 C ATOM 346 O LYS A 23 5.878 13.620 -1.282 1.00 0.00 O ATOM 347 CB LYS A 23 6.193 15.476 0.956 1.00 0.00 C ATOM 348 CG LYS A 23 6.203 16.162 2.314 1.00 0.00 C ATOM 349 CD LYS A 23 7.578 16.706 2.673 1.00 0.00 C ATOM 350 CE LYS A 23 8.566 15.583 2.951 1.00 0.00 C ATOM 351 NZ LYS A 23 9.853 16.095 3.491 1.00 0.00 N ATOM 0 H LYS A 23 6.032 12.851 1.522 1.00 0.00 H new ATOM 0 HA LYS A 23 4.091 15.038 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.124 14.925 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.160 16.233 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.480 16.978 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.883 15.455 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.950 17.326 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.499 17.348 3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.128 14.882 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.753 15.029 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.497 15.298 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.285 16.744 2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.678 16.602 4.382 1.00 0.00 H new ATOM 365 N VAL A 24 3.697 14.177 -1.217 1.00 0.00 N ATOM 366 CA VAL A 24 3.432 13.797 -2.596 1.00 0.00 C ATOM 367 C VAL A 24 3.208 15.045 -3.443 1.00 0.00 C ATOM 368 O VAL A 24 2.299 15.828 -3.167 1.00 0.00 O ATOM 369 CB VAL A 24 2.200 12.872 -2.702 1.00 0.00 C ATOM 370 CG1 VAL A 24 1.971 12.432 -4.140 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.356 11.663 -1.792 1.00 0.00 C ATOM 0 H VAL A 24 2.881 14.531 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 24 4.300 13.250 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 24 1.326 13.437 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.098 11.782 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.805 13.308 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.846 11.890 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.477 11.024 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.244 11.101 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.459 11.996 -0.759 1.00 0.00 H new ATOM 381 N ASN A 25 4.050 15.223 -4.460 1.00 0.00 N ATOM 382 CA ASN A 25 4.034 16.414 -5.317 1.00 0.00 C ATOM 383 C ASN A 25 4.386 17.659 -4.505 1.00 0.00 C ATOM 384 O ASN A 25 5.533 18.095 -4.495 1.00 0.00 O ATOM 385 CB ASN A 25 2.678 16.587 -6.022 1.00 0.00 C ATOM 386 CG ASN A 25 2.647 17.784 -6.962 1.00 0.00 C ATOM 387 OD1 ASN A 25 2.316 18.899 -6.558 1.00 0.00 O ATOM 388 ND2 ASN A 25 2.976 17.559 -8.227 1.00 0.00 N ATOM 0 H ASN A 25 4.767 14.544 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 25 4.789 16.277 -6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.450 15.683 -6.586 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.896 16.701 -5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.960 18.324 -8.902 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.245 16.621 -8.525 1.00 0.00 H new ATOM 395 N GLU A 26 3.405 18.202 -3.803 1.00 0.00 N ATOM 396 CA GLU A 26 3.615 19.362 -2.951 1.00 0.00 C ATOM 397 C GLU A 26 2.613 19.318 -1.799 1.00 0.00 C ATOM 398 O GLU A 26 2.381 20.306 -1.103 1.00 0.00 O ATOM 399 CB GLU A 26 3.462 20.647 -3.780 1.00 0.00 C ATOM 400 CG GLU A 26 3.931 21.906 -3.070 1.00 0.00 C ATOM 401 CD GLU A 26 5.349 21.792 -2.550 1.00 0.00 C ATOM 402 OE1 GLU A 26 6.298 21.941 -3.348 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.520 21.555 -1.335 1.00 0.00 O ATOM 0 H GLU A 26 2.446 17.854 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 26 4.623 19.351 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.023 20.536 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.414 20.767 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.867 22.750 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.260 22.120 -2.238 1.00 0.00 H new ATOM 410 N GLN A 27 2.042 18.140 -1.590 1.00 0.00 N ATOM 411 CA GLN A 27 1.015 17.944 -0.582 1.00 0.00 C ATOM 412 C GLN A 27 1.537 17.050 0.539 1.00 0.00 C ATOM 413 O GLN A 27 2.022 15.946 0.283 1.00 0.00 O ATOM 414 CB GLN A 27 -0.220 17.296 -1.214 1.00 0.00 C ATOM 415 CG GLN A 27 -0.742 18.027 -2.443 1.00 0.00 C ATOM 416 CD GLN A 27 -1.799 17.230 -3.183 1.00 0.00 C ATOM 417 OE1 GLN A 27 -1.485 16.433 -4.066 1.00 0.00 O ATOM 418 NE2 GLN A 27 -3.058 17.449 -2.842 1.00 0.00 N ATOM 0 H GLN A 27 2.278 17.297 -2.114 1.00 0.00 H new ATOM 0 HA GLN A 27 0.745 18.916 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.022 16.270 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.014 17.247 -0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.160 18.987 -2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.088 18.238 -3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.278 18.118 -2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.809 16.949 -3.317 1.00 0.00 H new ATOM 427 N ILE A 28 1.453 17.533 1.769 1.00 0.00 N ATOM 428 CA ILE A 28 1.791 16.723 2.928 1.00 0.00 C ATOM 429 C ILE A 28 0.558 15.950 3.371 1.00 0.00 C ATOM 430 O ILE A 28 -0.417 16.535 3.844 1.00 0.00 O ATOM 431 CB ILE A 28 2.319 17.577 4.103 1.00 0.00 C ATOM 432 CG1 ILE A 28 3.587 18.324 3.685 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.589 16.702 5.321 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.153 19.222 4.766 1.00 0.00 C ATOM 0 H ILE A 28 1.153 18.483 1.990 1.00 0.00 H new ATOM 0 HA ILE A 28 2.589 16.039 2.639 1.00 0.00 H new ATOM 0 HB ILE A 28 1.557 18.309 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.346 17.598 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.369 18.926 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.960 17.320 6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.666 16.211 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.335 15.948 5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.050 19.717 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.412 19.973 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.405 18.623 5.641 1.00 0.00 H new ATOM 446 N LEU A 29 0.590 14.641 3.194 1.00 0.00 N ATOM 447 CA LEU A 29 -0.575 13.818 3.461 1.00 0.00 C ATOM 448 C LEU A 29 -0.401 12.993 4.729 1.00 0.00 C ATOM 449 O LEU A 29 0.520 12.181 4.837 1.00 0.00 O ATOM 450 CB LEU A 29 -0.860 12.903 2.267 1.00 0.00 C ATOM 451 CG LEU A 29 -1.103 13.623 0.938 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.350 12.616 -0.174 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.276 14.587 1.056 1.00 0.00 C ATOM 0 H LEU A 29 1.408 14.127 2.867 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.425 14.483 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.019 12.221 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.734 12.294 2.497 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.211 14.199 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.521 13.144 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.481 11.967 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.226 12.014 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.432 15.089 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.175 14.034 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.061 15.329 1.825 1.00 0.00 H new ATOM 465 N GLN A 30 -1.279 13.229 5.692 1.00 0.00 N ATOM 466 CA GLN A 30 -1.339 12.430 6.905 1.00 0.00 C ATOM 467 C GLN A 30 -2.682 11.724 6.994 1.00 0.00 C ATOM 468 O GLN A 30 -3.564 12.108 7.767 1.00 0.00 O ATOM 469 CB GLN A 30 -1.095 13.284 8.148 1.00 0.00 C ATOM 470 CG GLN A 30 0.372 13.587 8.387 1.00 0.00 C ATOM 471 CD GLN A 30 0.597 14.478 9.591 1.00 0.00 C ATOM 472 OE1 GLN A 30 -0.220 15.341 9.904 1.00 0.00 O ATOM 473 NE2 GLN A 30 1.698 14.258 10.289 1.00 0.00 N ATOM 0 H GLN A 30 -1.969 13.979 5.654 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.547 11.683 6.861 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.642 14.222 8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.500 12.769 9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.914 12.652 8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.788 14.068 7.502 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.351 13.532 9.996 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.894 14.815 11.121 1.00 0.00 H new ATOM 482 N GLN A 31 -2.829 10.709 6.164 1.00 0.00 N ATOM 483 CA GLN A 31 -4.047 9.921 6.086 1.00 0.00 C ATOM 484 C GLN A 31 -3.716 8.568 5.476 1.00 0.00 C ATOM 485 O GLN A 31 -2.546 8.282 5.222 1.00 0.00 O ATOM 486 CB GLN A 31 -5.090 10.649 5.232 1.00 0.00 C ATOM 487 CG GLN A 31 -4.640 10.891 3.798 1.00 0.00 C ATOM 488 CD GLN A 31 -5.609 11.752 3.015 1.00 0.00 C ATOM 489 OE1 GLN A 31 -6.810 11.760 3.281 1.00 0.00 O ATOM 490 NE2 GLN A 31 -5.093 12.481 2.038 1.00 0.00 N ATOM 0 H GLN A 31 -2.100 10.404 5.518 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.461 9.780 7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.011 10.066 5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.324 11.606 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.661 11.369 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.523 9.933 3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.091 12.446 1.850 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.697 13.078 1.473 1.00 0.00 H new ATOM 499 N SER A 32 -4.724 7.747 5.242 1.00 0.00 N ATOM 500 CA SER A 32 -4.514 6.476 4.574 1.00 0.00 C ATOM 501 C SER A 32 -4.873 6.606 3.099 1.00 0.00 C ATOM 502 O SER A 32 -6.047 6.650 2.732 1.00 0.00 O ATOM 503 CB SER A 32 -5.345 5.381 5.238 1.00 0.00 C ATOM 504 OG SER A 32 -5.031 5.272 6.617 1.00 0.00 O ATOM 0 H SER A 32 -5.692 7.937 5.503 1.00 0.00 H new ATOM 0 HA SER A 32 -3.463 6.199 4.657 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.406 5.602 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.160 4.428 4.743 1.00 0.00 H new ATOM 0 HG SER A 32 -5.697 5.761 7.144 1.00 0.00 H new ATOM 510 N PHE A 33 -3.854 6.702 2.260 1.00 0.00 N ATOM 511 CA PHE A 33 -4.052 6.891 0.832 1.00 0.00 C ATOM 512 C PHE A 33 -3.245 5.866 0.042 1.00 0.00 C ATOM 513 O PHE A 33 -2.233 5.357 0.524 1.00 0.00 O ATOM 514 CB PHE A 33 -3.660 8.319 0.417 1.00 0.00 C ATOM 515 CG PHE A 33 -2.227 8.677 0.718 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.853 9.095 1.985 1.00 0.00 C ATOM 517 CD2 PHE A 33 -1.257 8.596 -0.269 1.00 0.00 C ATOM 518 CE1 PHE A 33 -0.540 9.420 2.265 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.058 8.923 0.004 1.00 0.00 C ATOM 520 CZ PHE A 33 0.417 9.334 1.274 1.00 0.00 C ATOM 0 H PHE A 33 -2.876 6.652 2.546 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.109 6.746 0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.835 8.436 -0.652 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.314 9.026 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.598 9.168 2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.532 8.274 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.263 9.741 3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.804 8.857 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.444 9.587 1.490 1.00 0.00 H new ATOM 530 N ILE A 34 -3.693 5.562 -1.165 1.00 0.00 N ATOM 531 CA ILE A 34 -3.020 4.577 -1.995 1.00 0.00 C ATOM 532 C ILE A 34 -2.256 5.263 -3.118 1.00 0.00 C ATOM 533 O ILE A 34 -2.852 5.914 -3.981 1.00 0.00 O ATOM 534 CB ILE A 34 -4.014 3.568 -2.601 1.00 0.00 C ATOM 535 CG1 ILE A 34 -4.950 3.023 -1.519 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.263 2.429 -3.277 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.073 2.168 -2.063 1.00 0.00 C ATOM 0 H ILE A 34 -4.519 5.983 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.326 4.035 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.616 4.081 -3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.368 2.435 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.377 3.859 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.977 1.723 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.633 2.829 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.640 1.918 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.695 1.817 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.680 2.758 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.655 1.312 -2.592 1.00 0.00 H new ATOM 549 N LEU A 35 -0.942 5.125 -3.102 1.00 0.00 N ATOM 550 CA LEU A 35 -0.100 5.726 -4.120 1.00 0.00 C ATOM 551 C LEU A 35 0.404 4.660 -5.085 1.00 0.00 C ATOM 552 O LEU A 35 1.256 3.845 -4.737 1.00 0.00 O ATOM 553 CB LEU A 35 1.080 6.457 -3.471 1.00 0.00 C ATOM 554 CG LEU A 35 2.046 7.140 -4.442 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.333 8.217 -5.246 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.225 7.732 -3.687 1.00 0.00 C ATOM 0 H LEU A 35 -0.433 4.599 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.692 6.450 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.687 7.209 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.642 5.742 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 35 2.420 6.389 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.039 8.689 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.521 7.767 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.927 8.968 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.903 8.214 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.864 8.468 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.754 6.939 -3.159 1.00 0.00 H new ATOM 568 N MET A 36 -0.137 4.657 -6.289 1.00 0.00 N ATOM 569 CA MET A 36 0.259 3.689 -7.298 1.00 0.00 C ATOM 570 C MET A 36 0.845 4.400 -8.507 1.00 0.00 C ATOM 571 O MET A 36 0.601 5.588 -8.706 1.00 0.00 O ATOM 572 CB MET A 36 -0.940 2.838 -7.728 1.00 0.00 C ATOM 573 CG MET A 36 -1.504 1.968 -6.619 1.00 0.00 C ATOM 574 SD MET A 36 -2.807 0.861 -7.197 1.00 0.00 S ATOM 575 CE MET A 36 -1.915 -0.095 -8.422 1.00 0.00 C ATOM 0 H MET A 36 -0.854 5.315 -6.594 1.00 0.00 H new ATOM 0 HA MET A 36 1.016 3.035 -6.866 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.727 3.496 -8.097 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.641 2.201 -8.560 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.699 1.378 -6.181 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.899 2.605 -5.828 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.498 -0.976 -8.691 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.749 0.516 -9.310 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.955 -0.407 -8.011 1.00 0.00 H new ATOM 585 N PRO A 37 1.626 3.682 -9.334 1.00 0.00 N ATOM 586 CA PRO A 37 2.166 4.229 -10.584 1.00 0.00 C ATOM 587 C PRO A 37 1.073 4.461 -11.629 1.00 0.00 C ATOM 588 O PRO A 37 1.352 4.826 -12.773 1.00 0.00 O ATOM 589 CB PRO A 37 3.148 3.151 -11.053 1.00 0.00 C ATOM 590 CG PRO A 37 2.669 1.894 -10.420 1.00 0.00 C ATOM 591 CD PRO A 37 2.066 2.294 -9.103 1.00 0.00 C ATOM 0 HA PRO A 37 2.631 5.204 -10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.154 3.068 -12.140 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.167 3.385 -10.745 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.932 1.396 -11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.491 1.193 -10.275 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.231 1.648 -8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.793 2.233 -8.293 1.00 0.00 H new ATOM 599 N ASP A 38 -0.170 4.212 -11.229 1.00 0.00 N ATOM 600 CA ASP A 38 -1.329 4.484 -12.068 1.00 0.00 C ATOM 601 C ASP A 38 -1.923 5.838 -11.703 1.00 0.00 C ATOM 602 O ASP A 38 -1.961 6.753 -12.525 1.00 0.00 O ATOM 603 CB ASP A 38 -2.395 3.394 -11.898 1.00 0.00 C ATOM 604 CG ASP A 38 -1.967 2.054 -12.457 1.00 0.00 C ATOM 605 OD1 ASP A 38 -1.355 1.255 -11.714 1.00 0.00 O ATOM 606 OD2 ASP A 38 -2.245 1.784 -13.642 1.00 0.00 O ATOM 0 H ASP A 38 -0.400 3.817 -10.317 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.004 4.493 -13.108 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.626 3.282 -10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.313 3.711 -12.393 1.00 0.00 H new ATOM 611 N GLU A 39 -2.375 5.957 -10.459 1.00 0.00 N ATOM 612 CA GLU A 39 -2.942 7.202 -9.962 1.00 0.00 C ATOM 613 C GLU A 39 -2.838 7.262 -8.440 1.00 0.00 C ATOM 614 O GLU A 39 -2.321 6.340 -7.804 1.00 0.00 O ATOM 615 CB GLU A 39 -4.409 7.332 -10.383 1.00 0.00 C ATOM 616 CG GLU A 39 -5.318 6.294 -9.744 1.00 0.00 C ATOM 617 CD GLU A 39 -6.778 6.512 -10.074 1.00 0.00 C ATOM 618 OE1 GLU A 39 -7.343 7.534 -9.639 1.00 0.00 O ATOM 619 OE2 GLU A 39 -7.374 5.649 -10.752 1.00 0.00 O ATOM 0 H GLU A 39 -2.359 5.201 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.377 8.029 -10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.767 8.328 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.477 7.244 -11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.019 5.301 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.187 6.319 -8.662 1.00 0.00 H new ATOM 626 N LEU A 40 -3.341 8.343 -7.863 1.00 0.00 N ATOM 627 CA LEU A 40 -3.362 8.504 -6.419 1.00 0.00 C ATOM 628 C LEU A 40 -4.785 8.347 -5.900 1.00 0.00 C ATOM 629 O LEU A 40 -5.675 9.115 -6.268 1.00 0.00 O ATOM 630 CB LEU A 40 -2.806 9.877 -6.024 1.00 0.00 C ATOM 631 CG LEU A 40 -2.829 10.185 -4.524 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.929 9.225 -3.763 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.408 11.625 -4.270 1.00 0.00 C ATOM 0 H LEU A 40 -3.743 9.126 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.733 7.734 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.777 9.950 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.377 10.646 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.849 10.054 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.961 9.462 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.274 8.203 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.906 9.321 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.430 11.827 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.398 11.781 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.095 12.300 -4.781 1.00 0.00 H new ATOM 645 N VAL A 41 -5.001 7.348 -5.060 1.00 0.00 N ATOM 646 CA VAL A 41 -6.310 7.124 -4.469 1.00 0.00 C ATOM 647 C VAL A 41 -6.402 7.851 -3.135 1.00 0.00 C ATOM 648 O VAL A 41 -5.832 7.412 -2.135 1.00 0.00 O ATOM 649 CB VAL A 41 -6.604 5.622 -4.257 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.035 5.413 -3.781 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.340 4.837 -5.533 1.00 0.00 C ATOM 0 H VAL A 41 -4.287 6.679 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.054 7.514 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.932 5.250 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.219 4.348 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.185 5.937 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.727 5.804 -4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.553 3.782 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.982 5.212 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.296 4.954 -5.823 1.00 0.00 H new ATOM 661 N GLU A 42 -7.097 8.976 -3.145 1.00 0.00 N ATOM 662 CA GLU A 42 -7.236 9.811 -1.962 1.00 0.00 C ATOM 663 C GLU A 42 -8.432 9.358 -1.138 1.00 0.00 C ATOM 664 O GLU A 42 -8.417 9.415 0.094 1.00 0.00 O ATOM 665 CB GLU A 42 -7.428 11.265 -2.386 1.00 0.00 C ATOM 666 CG GLU A 42 -6.359 11.758 -3.343 1.00 0.00 C ATOM 667 CD GLU A 42 -6.875 12.841 -4.262 1.00 0.00 C ATOM 668 OE1 GLU A 42 -7.462 12.498 -5.310 1.00 0.00 O ATOM 669 OE2 GLU A 42 -6.704 14.034 -3.936 1.00 0.00 O ATOM 0 H GLU A 42 -7.579 9.336 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.335 9.722 -1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.405 11.373 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.431 11.898 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.511 12.140 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.993 10.922 -3.939 1.00 0.00 H new ATOM 676 N HIS A 43 -9.468 8.911 -1.831 1.00 0.00 N ATOM 677 CA HIS A 43 -10.685 8.461 -1.178 1.00 0.00 C ATOM 678 C HIS A 43 -10.550 7.008 -0.730 1.00 0.00 C ATOM 679 O HIS A 43 -10.915 6.080 -1.452 1.00 0.00 O ATOM 680 CB HIS A 43 -11.894 8.638 -2.108 1.00 0.00 C ATOM 681 CG HIS A 43 -13.183 8.121 -1.540 1.00 0.00 C ATOM 682 ND1 HIS A 43 -14.030 7.295 -2.242 1.00 0.00 N ATOM 683 CD2 HIS A 43 -13.763 8.310 -0.332 1.00 0.00 C ATOM 684 CE1 HIS A 43 -15.075 6.996 -1.495 1.00 0.00 C ATOM 685 NE2 HIS A 43 -14.938 7.599 -0.329 1.00 0.00 N ATOM 0 H HIS A 43 -9.489 8.851 -2.849 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.847 9.074 -0.291 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -12.010 9.697 -2.339 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.693 8.127 -3.049 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.374 8.908 0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.902 6.365 -1.787 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.597 7.546 0.448 1.00 0.00 H new ATOM 694 N TRP A 44 -9.995 6.830 0.455 1.00 0.00 N ATOM 695 CA TRP A 44 -9.868 5.518 1.064 1.00 0.00 C ATOM 696 C TRP A 44 -10.009 5.672 2.576 1.00 0.00 C ATOM 697 O TRP A 44 -9.026 5.874 3.284 1.00 0.00 O ATOM 698 CB TRP A 44 -8.520 4.886 0.692 1.00 0.00 C ATOM 699 CG TRP A 44 -8.433 3.416 0.980 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.266 2.439 0.516 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.441 2.754 1.773 1.00 0.00 C ATOM 702 NE1 TRP A 44 -8.864 1.212 0.986 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.745 1.379 1.760 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.332 3.192 2.502 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -6.973 0.441 2.440 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.566 2.260 3.174 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.891 0.899 3.143 1.00 0.00 C ATOM 0 H TRP A 44 -9.620 7.590 1.022 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.650 4.854 0.696 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.335 5.049 -0.370 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.727 5.400 1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.117 2.606 -0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.323 0.322 0.791 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.078 4.241 2.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.219 -0.610 2.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.702 2.587 3.733 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.276 0.196 3.685 1.00 0.00 H new ATOM 718 N PRO A 45 -11.257 5.633 3.072 1.00 0.00 N ATOM 719 CA PRO A 45 -11.579 5.964 4.467 1.00 0.00 C ATOM 720 C PRO A 45 -10.989 4.993 5.485 1.00 0.00 C ATOM 721 O PRO A 45 -11.596 3.972 5.817 1.00 0.00 O ATOM 722 CB PRO A 45 -13.114 5.916 4.515 1.00 0.00 C ATOM 723 CG PRO A 45 -13.553 5.946 3.090 1.00 0.00 C ATOM 724 CD PRO A 45 -12.461 5.271 2.313 1.00 0.00 C ATOM 0 HA PRO A 45 -11.154 6.930 4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.464 5.013 5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.517 6.764 5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.503 5.427 2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.701 6.970 2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.603 4.191 2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.415 5.629 1.284 1.00 0.00 H new ATOM 732 N VAL A 46 -9.787 5.308 5.950 1.00 0.00 N ATOM 733 CA VAL A 46 -9.164 4.589 7.052 1.00 0.00 C ATOM 734 C VAL A 46 -8.492 5.591 7.992 1.00 0.00 C ATOM 735 O VAL A 46 -7.304 5.878 7.865 1.00 0.00 O ATOM 736 CB VAL A 46 -8.116 3.550 6.568 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.556 2.760 7.742 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.714 2.606 5.535 1.00 0.00 C ATOM 0 H VAL A 46 -9.218 6.067 5.575 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.949 4.040 7.571 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.300 4.098 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.824 2.038 7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.076 3.442 8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.366 2.233 8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.957 1.890 5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.556 2.071 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.058 3.179 4.674 1.00 0.00 H new ATOM 748 N PRO A 47 -9.266 6.181 8.919 1.00 0.00 N ATOM 749 CA PRO A 47 -8.752 7.182 9.864 1.00 0.00 C ATOM 750 C PRO A 47 -7.661 6.628 10.775 1.00 0.00 C ATOM 751 O PRO A 47 -6.687 7.315 11.085 1.00 0.00 O ATOM 752 CB PRO A 47 -9.985 7.573 10.689 1.00 0.00 C ATOM 753 CG PRO A 47 -11.153 7.158 9.862 1.00 0.00 C ATOM 754 CD PRO A 47 -10.705 5.943 9.104 1.00 0.00 C ATOM 0 HA PRO A 47 -8.287 8.019 9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.988 7.070 11.656 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.003 8.645 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.016 6.932 10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.453 7.955 9.182 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.894 5.026 9.663 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.224 5.848 8.150 1.00 0.00 H new ATOM 762 N SER A 48 -7.831 5.388 11.212 1.00 0.00 N ATOM 763 CA SER A 48 -6.861 4.742 12.082 1.00 0.00 C ATOM 764 C SER A 48 -6.913 3.226 11.914 1.00 0.00 C ATOM 765 O SER A 48 -7.798 2.696 11.233 1.00 0.00 O ATOM 766 CB SER A 48 -7.124 5.124 13.542 1.00 0.00 C ATOM 767 OG SER A 48 -6.996 6.524 13.730 1.00 0.00 O ATOM 0 H SER A 48 -8.636 4.808 10.976 1.00 0.00 H new ATOM 0 HA SER A 48 -5.865 5.084 11.803 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.125 4.804 13.831 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.422 4.600 14.191 1.00 0.00 H new ATOM 0 HG SER A 48 -7.170 6.745 14.669 1.00 0.00 H new ATOM 773 N LEU A 49 -5.955 2.535 12.529 1.00 0.00 N ATOM 774 CA LEU A 49 -5.890 1.081 12.457 1.00 0.00 C ATOM 775 C LEU A 49 -7.120 0.466 13.111 1.00 0.00 C ATOM 776 O LEU A 49 -7.361 0.645 14.304 1.00 0.00 O ATOM 777 CB LEU A 49 -4.615 0.569 13.131 1.00 0.00 C ATOM 778 CG LEU A 49 -4.387 -0.943 13.030 1.00 0.00 C ATOM 779 CD1 LEU A 49 -4.258 -1.370 11.576 1.00 0.00 C ATOM 780 CD2 LEU A 49 -3.150 -1.346 13.819 1.00 0.00 C ATOM 0 H LEU A 49 -5.213 2.962 13.083 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.868 0.785 11.408 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.759 1.080 12.690 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.643 0.847 14.185 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.251 -1.452 13.458 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.097 -2.447 11.526 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.172 -1.115 11.039 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.413 -0.855 11.119 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.001 -2.423 13.738 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.278 -0.828 13.419 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.283 -1.076 14.867 1.00 0.00 H new ATOM 792 N GLY A 50 -7.890 -0.254 12.317 1.00 0.00 N ATOM 793 CA GLY A 50 -9.140 -0.815 12.789 1.00 0.00 C ATOM 794 C GLY A 50 -10.221 -0.680 11.742 1.00 0.00 C ATOM 795 O GLY A 50 -11.156 -1.475 11.688 1.00 0.00 O ATOM 0 H GLY A 50 -7.671 -0.464 11.343 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.000 -1.867 13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.448 -0.308 13.703 1.00 0.00 H new ATOM 799 N GLN A 51 -10.081 0.339 10.905 1.00 0.00 N ATOM 800 CA GLN A 51 -10.985 0.542 9.779 1.00 0.00 C ATOM 801 C GLN A 51 -10.542 -0.301 8.588 1.00 0.00 C ATOM 802 O GLN A 51 -11.216 -0.356 7.558 1.00 0.00 O ATOM 803 CB GLN A 51 -11.014 2.018 9.385 1.00 0.00 C ATOM 804 CG GLN A 51 -11.664 2.924 10.419 1.00 0.00 C ATOM 805 CD GLN A 51 -13.159 2.705 10.529 1.00 0.00 C ATOM 806 OE1 GLN A 51 -13.939 3.313 9.798 1.00 0.00 O ATOM 807 NE2 GLN A 51 -13.573 1.860 11.459 1.00 0.00 N ATOM 0 H GLN A 51 -9.346 1.042 10.985 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.987 0.234 10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.993 2.357 9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.548 2.120 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.203 2.749 11.391 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.471 3.964 10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.894 1.375 12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.571 1.694 11.589 1.00 0.00 H new ATOM 816 N LEU A 52 -9.402 -0.960 8.741 1.00 0.00 N ATOM 817 CA LEU A 52 -8.839 -1.769 7.678 1.00 0.00 C ATOM 818 C LEU A 52 -9.403 -3.183 7.723 1.00 0.00 C ATOM 819 O LEU A 52 -8.924 -4.033 8.470 1.00 0.00 O ATOM 820 CB LEU A 52 -7.310 -1.804 7.779 1.00 0.00 C ATOM 821 CG LEU A 52 -6.603 -2.618 6.691 1.00 0.00 C ATOM 822 CD1 LEU A 52 -6.903 -2.050 5.312 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.102 -2.647 6.941 1.00 0.00 C ATOM 0 H LEU A 52 -8.849 -0.947 9.598 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.114 -1.317 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.936 -0.781 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.035 -2.212 8.752 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.981 -3.640 6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.391 -2.643 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.978 -2.081 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.556 -1.018 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.614 -3.229 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.712 -1.629 6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.903 -3.103 7.911 1.00 0.00 H new ATOM 835 N GLN A 53 -10.454 -3.398 6.949 1.00 0.00 N ATOM 836 CA GLN A 53 -11.041 -4.720 6.774 1.00 0.00 C ATOM 837 C GLN A 53 -11.258 -4.963 5.284 1.00 0.00 C ATOM 838 O GLN A 53 -11.130 -4.026 4.491 1.00 0.00 O ATOM 839 CB GLN A 53 -12.372 -4.838 7.535 1.00 0.00 C ATOM 840 CG GLN A 53 -12.227 -4.751 9.048 1.00 0.00 C ATOM 841 CD GLN A 53 -13.518 -5.063 9.785 1.00 0.00 C ATOM 842 OE1 GLN A 53 -13.779 -4.521 10.861 1.00 0.00 O ATOM 843 NE2 GLN A 53 -14.328 -5.952 9.227 1.00 0.00 N ATOM 0 H GLN A 53 -10.926 -2.662 6.423 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.364 -5.472 7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.043 -4.048 7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.843 -5.787 7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.452 -5.445 9.374 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.893 -3.749 9.319 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.079 -6.380 8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.200 -6.208 9.689 1.00 0.00 H new ATOM 852 N PRO A 54 -11.575 -6.210 4.871 1.00 0.00 N ATOM 853 CA PRO A 54 -11.856 -6.543 3.465 1.00 0.00 C ATOM 854 C PRO A 54 -12.806 -5.551 2.791 1.00 0.00 C ATOM 855 O PRO A 54 -12.674 -5.276 1.602 1.00 0.00 O ATOM 856 CB PRO A 54 -12.502 -7.922 3.560 1.00 0.00 C ATOM 857 CG PRO A 54 -11.883 -8.537 4.764 1.00 0.00 C ATOM 858 CD PRO A 54 -11.647 -7.410 5.734 1.00 0.00 C ATOM 0 HA PRO A 54 -10.953 -6.512 2.855 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.585 -7.848 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.307 -8.515 2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.539 -9.293 5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.947 -9.035 4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.456 -7.332 6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.725 -7.554 6.297 1.00 0.00 H new ATOM 866 N ALA A 55 -13.734 -4.994 3.566 1.00 0.00 N ATOM 867 CA ALA A 55 -14.690 -4.007 3.056 1.00 0.00 C ATOM 868 C ALA A 55 -13.986 -2.794 2.436 1.00 0.00 C ATOM 869 O ALA A 55 -14.559 -2.095 1.601 1.00 0.00 O ATOM 870 CB ALA A 55 -15.622 -3.559 4.173 1.00 0.00 C ATOM 0 H ALA A 55 -13.846 -5.210 4.557 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.271 -4.486 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.329 -2.826 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.168 -4.420 4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.038 -3.110 4.976 1.00 0.00 H new ATOM 876 N HIS A 56 -12.750 -2.541 2.856 1.00 0.00 N ATOM 877 CA HIS A 56 -11.960 -1.445 2.300 1.00 0.00 C ATOM 878 C HIS A 56 -10.750 -1.977 1.535 1.00 0.00 C ATOM 879 O HIS A 56 -10.216 -1.304 0.656 1.00 0.00 O ATOM 880 CB HIS A 56 -11.487 -0.489 3.402 1.00 0.00 C ATOM 881 CG HIS A 56 -12.577 0.349 3.999 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.130 1.430 3.354 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.207 0.264 5.193 1.00 0.00 C ATOM 884 CE1 HIS A 56 -14.050 1.977 4.125 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.118 1.289 5.249 1.00 0.00 N ATOM 0 H HIS A 56 -12.273 -3.079 3.579 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.604 -0.898 1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.016 -1.071 4.194 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.721 0.169 2.992 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.026 -0.474 5.960 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.647 2.842 3.878 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -14.744 1.486 6.030 1.00 0.00 H new ATOM 894 N MET A 57 -10.327 -3.190 1.872 1.00 0.00 N ATOM 895 CA MET A 57 -9.131 -3.782 1.277 1.00 0.00 C ATOM 896 C MET A 57 -9.432 -4.377 -0.098 1.00 0.00 C ATOM 897 O MET A 57 -8.598 -4.329 -1.002 1.00 0.00 O ATOM 898 CB MET A 57 -8.562 -4.864 2.201 1.00 0.00 C ATOM 899 CG MET A 57 -7.263 -5.481 1.702 1.00 0.00 C ATOM 900 SD MET A 57 -5.932 -4.273 1.569 1.00 0.00 S ATOM 901 CE MET A 57 -4.594 -5.309 0.981 1.00 0.00 C ATOM 0 H MET A 57 -10.795 -3.785 2.556 1.00 0.00 H new ATOM 0 HA MET A 57 -8.392 -2.991 1.150 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.392 -4.433 3.188 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.305 -5.653 2.321 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.959 -6.278 2.380 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.433 -5.939 0.727 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.697 -4.704 0.849 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.397 -6.097 1.708 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.873 -5.757 0.027 1.00 0.00 H new ATOM 911 N ASP A 58 -10.636 -4.919 -0.258 1.00 0.00 N ATOM 912 CA ASP A 58 -11.016 -5.591 -1.498 1.00 0.00 C ATOM 913 C ASP A 58 -11.107 -4.600 -2.654 1.00 0.00 C ATOM 914 O ASP A 58 -11.054 -4.984 -3.818 1.00 0.00 O ATOM 915 CB ASP A 58 -12.344 -6.335 -1.322 1.00 0.00 C ATOM 916 CG ASP A 58 -12.711 -7.181 -2.528 1.00 0.00 C ATOM 917 OD1 ASP A 58 -11.954 -8.120 -2.859 1.00 0.00 O ATOM 918 OD2 ASP A 58 -13.769 -6.929 -3.132 1.00 0.00 O ATOM 0 H ASP A 58 -11.365 -4.906 0.455 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.240 -6.318 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.283 -6.974 -0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.138 -5.612 -1.136 1.00 0.00 H new ATOM 923 N ALA A 59 -11.227 -3.317 -2.329 1.00 0.00 N ATOM 924 CA ALA A 59 -11.208 -2.271 -3.344 1.00 0.00 C ATOM 925 C ALA A 59 -9.848 -2.241 -4.035 1.00 0.00 C ATOM 926 O ALA A 59 -9.755 -2.125 -5.259 1.00 0.00 O ATOM 927 CB ALA A 59 -11.526 -0.921 -2.721 1.00 0.00 C ATOM 0 H ALA A 59 -11.338 -2.978 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.972 -2.488 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.508 -0.151 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.516 -0.955 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.783 -0.688 -1.958 1.00 0.00 H new ATOM 933 N VAL A 60 -8.794 -2.382 -3.238 1.00 0.00 N ATOM 934 CA VAL A 60 -7.435 -2.435 -3.761 1.00 0.00 C ATOM 935 C VAL A 60 -7.242 -3.728 -4.543 1.00 0.00 C ATOM 936 O VAL A 60 -6.577 -3.758 -5.580 1.00 0.00 O ATOM 937 CB VAL A 60 -6.389 -2.371 -2.626 1.00 0.00 C ATOM 938 CG1 VAL A 60 -4.986 -2.191 -3.190 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.725 -1.259 -1.643 1.00 0.00 C ATOM 0 H VAL A 60 -8.856 -2.462 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.291 -1.572 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.416 -3.318 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.267 -2.149 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.745 -3.031 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.940 -1.264 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.975 -1.233 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.735 -0.302 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.706 -1.444 -1.206 1.00 0.00 H new ATOM 949 N LEU A 61 -7.856 -4.790 -4.040 1.00 0.00 N ATOM 950 CA LEU A 61 -7.782 -6.100 -4.669 1.00 0.00 C ATOM 951 C LEU A 61 -8.507 -6.097 -6.012 1.00 0.00 C ATOM 952 O LEU A 61 -8.103 -6.790 -6.946 1.00 0.00 O ATOM 953 CB LEU A 61 -8.385 -7.157 -3.741 1.00 0.00 C ATOM 954 CG LEU A 61 -7.772 -7.207 -2.339 1.00 0.00 C ATOM 955 CD1 LEU A 61 -8.496 -8.226 -1.471 1.00 0.00 C ATOM 956 CD2 LEU A 61 -6.287 -7.530 -2.416 1.00 0.00 C ATOM 0 H LEU A 61 -8.417 -4.768 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.734 -6.341 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.455 -6.970 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.272 -8.136 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.887 -6.225 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.044 -8.245 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.547 -7.950 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.416 -9.213 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.869 -7.561 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.150 -8.499 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.777 -6.762 -2.997 1.00 0.00 H new ATOM 968 N ALA A 62 -9.577 -5.312 -6.100 1.00 0.00 N ATOM 969 CA ALA A 62 -10.327 -5.163 -7.343 1.00 0.00 C ATOM 970 C ALA A 62 -9.478 -4.471 -8.402 1.00 0.00 C ATOM 971 O ALA A 62 -9.538 -4.812 -9.584 1.00 0.00 O ATOM 972 CB ALA A 62 -11.612 -4.387 -7.101 1.00 0.00 C ATOM 0 H ALA A 62 -9.946 -4.767 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.588 -6.157 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.158 -4.286 -8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.229 -4.921 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.372 -3.397 -6.712 1.00 0.00 H new ATOM 978 N LEU A 63 -8.684 -3.496 -7.968 1.00 0.00 N ATOM 979 CA LEU A 63 -7.734 -2.831 -8.856 1.00 0.00 C ATOM 980 C LEU A 63 -6.699 -3.834 -9.355 1.00 0.00 C ATOM 981 O LEU A 63 -6.170 -3.702 -10.461 1.00 0.00 O ATOM 982 CB LEU A 63 -7.035 -1.676 -8.133 1.00 0.00 C ATOM 983 CG LEU A 63 -7.958 -0.575 -7.603 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.153 0.484 -6.868 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.751 0.052 -8.739 1.00 0.00 C ATOM 0 H LEU A 63 -8.679 -3.149 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.282 -2.426 -9.707 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.468 -2.084 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.315 -1.225 -8.816 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.661 -1.024 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.824 1.259 -6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.630 0.026 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.427 0.928 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.401 0.832 -8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.064 0.487 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.357 -0.713 -9.225 1.00 0.00 H new ATOM 997 N ASN A 64 -6.432 -4.831 -8.514 1.00 0.00 N ATOM 998 CA ASN A 64 -5.527 -5.938 -8.824 1.00 0.00 C ATOM 999 C ASN A 64 -4.144 -5.444 -9.245 1.00 0.00 C ATOM 1000 O ASN A 64 -3.813 -5.414 -10.432 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.119 -6.849 -9.909 1.00 0.00 C ATOM 1002 CG ASN A 64 -5.304 -8.115 -10.129 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -5.212 -8.621 -11.246 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -4.721 -8.649 -9.064 1.00 0.00 N ATOM 0 H ASN A 64 -6.844 -4.894 -7.583 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.409 -6.517 -7.908 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.137 -7.122 -9.631 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.182 -6.296 -10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.176 -9.506 -9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.818 -8.203 -8.152 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.336 -5.004 -8.273 1.00 0.00 N ATOM 1012 CA PRO A 65 -1.945 -4.639 -8.516 1.00 0.00 C ATOM 1013 C PRO A 65 -1.040 -5.867 -8.557 1.00 0.00 C ATOM 1014 O PRO A 65 -1.482 -6.985 -8.289 1.00 0.00 O ATOM 1015 CB PRO A 65 -1.609 -3.763 -7.312 1.00 0.00 C ATOM 1016 CG PRO A 65 -2.460 -4.297 -6.214 1.00 0.00 C ATOM 1017 CD PRO A 65 -3.720 -4.805 -6.862 1.00 0.00 C ATOM 0 HA PRO A 65 -1.800 -4.142 -9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.550 -3.824 -7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.829 -2.714 -7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.948 -5.097 -5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.685 -3.520 -5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.058 -5.735 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.536 -4.088 -6.767 1.00 0.00 H new ATOM 1025 N ALA A 66 0.224 -5.655 -8.885 1.00 0.00 N ATOM 1026 CA ALA A 66 1.188 -6.740 -8.951 1.00 0.00 C ATOM 1027 C ALA A 66 1.757 -7.029 -7.569 1.00 0.00 C ATOM 1028 O ALA A 66 2.125 -8.163 -7.255 1.00 0.00 O ATOM 1029 CB ALA A 66 2.301 -6.395 -9.928 1.00 0.00 C ATOM 0 H ALA A 66 0.607 -4.737 -9.111 1.00 0.00 H new ATOM 0 HA ALA A 66 0.682 -7.637 -9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.017 -7.216 -9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.878 -6.233 -10.919 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.807 -5.488 -9.597 1.00 0.00 H new ATOM 1035 N VAL A 67 1.834 -5.990 -6.746 1.00 0.00 N ATOM 1036 CA VAL A 67 2.306 -6.132 -5.376 1.00 0.00 C ATOM 1037 C VAL A 67 1.771 -4.990 -4.517 1.00 0.00 C ATOM 1038 O VAL A 67 1.584 -3.877 -5.008 1.00 0.00 O ATOM 1039 CB VAL A 67 3.856 -6.176 -5.316 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.465 -4.930 -5.939 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.345 -6.356 -3.886 1.00 0.00 C ATOM 0 H VAL A 67 1.575 -5.038 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 67 1.931 -7.077 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 67 4.183 -7.038 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.552 -4.989 -5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.159 -4.859 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.121 -4.048 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.435 -6.383 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.997 -5.523 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.955 -7.290 -3.483 1.00 0.00 H new ATOM 1051 N ILE A 68 1.490 -5.273 -3.251 1.00 0.00 N ATOM 1052 CA ILE A 68 0.979 -4.259 -2.339 1.00 0.00 C ATOM 1053 C ILE A 68 1.962 -4.016 -1.199 1.00 0.00 C ATOM 1054 O ILE A 68 2.400 -4.953 -0.529 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.397 -4.655 -1.753 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.403 -4.908 -2.878 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.912 -3.566 -0.817 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.771 -5.343 -2.393 1.00 0.00 C ATOM 0 H ILE A 68 1.607 -6.196 -2.833 1.00 0.00 H new ATOM 0 HA ILE A 68 0.856 -3.343 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.276 -5.575 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.510 -3.998 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.004 -5.674 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.881 -3.861 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.206 -3.426 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.018 -2.632 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.427 -5.502 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.679 -6.271 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.193 -4.569 -1.752 1.00 0.00 H new ATOM 1070 N LEU A 69 2.312 -2.755 -0.996 1.00 0.00 N ATOM 1071 CA LEU A 69 3.188 -2.367 0.097 1.00 0.00 C ATOM 1072 C LEU A 69 2.390 -1.625 1.157 1.00 0.00 C ATOM 1073 O LEU A 69 1.892 -0.528 0.913 1.00 0.00 O ATOM 1074 CB LEU A 69 4.329 -1.475 -0.402 1.00 0.00 C ATOM 1075 CG LEU A 69 5.268 -2.109 -1.430 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.355 -1.125 -1.828 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.887 -3.384 -0.882 1.00 0.00 C ATOM 0 H LEU A 69 2.000 -1.978 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 69 3.619 -3.272 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.897 -0.575 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.921 -1.160 0.457 1.00 0.00 H new ATOM 0 HG LEU A 69 4.684 -2.365 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.016 -1.589 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.899 -0.236 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.931 -0.843 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.551 -3.817 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.456 -3.154 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.098 -4.097 -0.641 1.00 0.00 H new ATOM 1089 N LEU A 70 2.253 -2.230 2.319 1.00 0.00 N ATOM 1090 CA LEU A 70 1.524 -1.621 3.414 1.00 0.00 C ATOM 1091 C LEU A 70 2.485 -0.880 4.331 1.00 0.00 C ATOM 1092 O LEU A 70 3.283 -1.498 5.033 1.00 0.00 O ATOM 1093 CB LEU A 70 0.754 -2.684 4.204 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.072 -2.156 5.380 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.169 -1.223 4.892 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.664 -3.310 6.171 1.00 0.00 C ATOM 0 H LEU A 70 2.640 -3.150 2.531 1.00 0.00 H new ATOM 0 HA LEU A 70 0.807 -0.910 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.087 -3.209 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.465 -3.418 4.582 1.00 0.00 H new ATOM 0 HG LEU A 70 0.588 -1.589 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.743 -0.860 5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.722 -0.378 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.829 -1.762 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.248 -2.918 7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.309 -3.903 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.140 -3.938 6.555 1.00 0.00 H new ATOM 1108 N GLY A 71 2.419 0.440 4.304 1.00 0.00 N ATOM 1109 CA GLY A 71 3.268 1.240 5.157 1.00 0.00 C ATOM 1110 C GLY A 71 2.475 1.927 6.244 1.00 0.00 C ATOM 1111 O GLY A 71 1.880 2.979 6.011 1.00 0.00 O ATOM 0 H GLY A 71 1.790 0.974 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.032 0.607 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.787 1.987 4.557 1.00 0.00 H new ATOM 1115 N THR A 72 2.463 1.335 7.428 1.00 0.00 N ATOM 1116 CA THR A 72 1.682 1.860 8.539 1.00 0.00 C ATOM 1117 C THR A 72 2.449 2.940 9.305 1.00 0.00 C ATOM 1118 O THR A 72 2.641 2.847 10.519 1.00 0.00 O ATOM 1119 CB THR A 72 1.267 0.725 9.493 1.00 0.00 C ATOM 1120 OG1 THR A 72 2.404 -0.085 9.811 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.183 -0.142 8.869 1.00 0.00 C ATOM 0 H THR A 72 2.987 0.487 7.646 1.00 0.00 H new ATOM 0 HA THR A 72 0.785 2.318 8.122 1.00 0.00 H new ATOM 0 HB THR A 72 0.871 1.174 10.404 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.698 0.108 10.726 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.092 -0.936 9.563 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.693 0.470 8.652 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.556 -0.582 7.944 1.00 0.00 H new ATOM 1129 N GLY A 73 2.852 3.977 8.573 1.00 0.00 N ATOM 1130 CA GLY A 73 3.599 5.091 9.137 1.00 0.00 C ATOM 1131 C GLY A 73 4.742 4.684 10.049 1.00 0.00 C ATOM 1132 O GLY A 73 5.758 4.143 9.602 1.00 0.00 O ATOM 0 H GLY A 73 2.668 4.065 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.998 5.694 8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.913 5.726 9.697 1.00 0.00 H new ATOM 1136 N GLU A 74 4.553 4.951 11.332 1.00 0.00 N ATOM 1137 CA GLU A 74 5.577 4.745 12.347 1.00 0.00 C ATOM 1138 C GLU A 74 5.607 3.297 12.829 1.00 0.00 C ATOM 1139 O GLU A 74 6.646 2.635 12.791 1.00 0.00 O ATOM 1140 CB GLU A 74 5.292 5.674 13.524 1.00 0.00 C ATOM 1141 CG GLU A 74 6.181 5.440 14.731 1.00 0.00 C ATOM 1142 CD GLU A 74 5.630 6.092 15.977 1.00 0.00 C ATOM 1143 OE1 GLU A 74 4.790 5.465 16.656 1.00 0.00 O ATOM 1144 OE2 GLU A 74 6.030 7.231 16.285 1.00 0.00 O ATOM 0 H GLU A 74 3.677 5.320 11.702 1.00 0.00 H new ATOM 0 HA GLU A 74 6.551 4.967 11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.410 6.706 13.194 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.251 5.553 13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.288 4.368 14.900 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.178 5.831 14.528 1.00 0.00 H new ATOM 1151 N ARG A 75 4.466 2.817 13.294 1.00 0.00 N ATOM 1152 CA ARG A 75 4.372 1.488 13.874 1.00 0.00 C ATOM 1153 C ARG A 75 3.967 0.469 12.823 1.00 0.00 C ATOM 1154 O ARG A 75 2.813 0.434 12.401 1.00 0.00 O ATOM 1155 CB ARG A 75 3.361 1.483 15.022 1.00 0.00 C ATOM 1156 CG ARG A 75 3.857 2.160 16.292 1.00 0.00 C ATOM 1157 CD ARG A 75 2.721 2.366 17.281 1.00 0.00 C ATOM 1158 NE ARG A 75 3.198 2.677 18.630 1.00 0.00 N ATOM 1159 CZ ARG A 75 3.064 3.864 19.221 1.00 0.00 C ATOM 1160 NH1 ARG A 75 2.623 4.912 18.533 1.00 0.00 N ATOM 1161 NH2 ARG A 75 3.407 4.011 20.496 1.00 0.00 N ATOM 0 H ARG A 75 3.586 3.332 13.281 1.00 0.00 H new ATOM 0 HA ARG A 75 5.353 1.215 14.261 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.449 1.980 14.691 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.096 0.451 15.253 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.637 1.553 16.751 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.306 3.122 16.044 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.081 3.176 16.930 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.107 1.466 17.315 1.00 0.00 H new ATOM 0 HE ARG A 75 3.664 1.935 19.153 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.385 4.811 17.546 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.523 5.818 18.992 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.772 3.216 21.021 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.305 4.919 20.950 1.00 0.00 H new ATOM 1175 N GLN A 76 4.917 -0.349 12.393 1.00 0.00 N ATOM 1176 CA GLN A 76 4.627 -1.387 11.418 1.00 0.00 C ATOM 1177 C GLN A 76 3.838 -2.509 12.077 1.00 0.00 C ATOM 1178 O GLN A 76 4.174 -2.968 13.171 1.00 0.00 O ATOM 1179 CB GLN A 76 5.910 -1.933 10.783 1.00 0.00 C ATOM 1180 CG GLN A 76 6.859 -2.584 11.773 1.00 0.00 C ATOM 1181 CD GLN A 76 8.115 -3.130 11.116 1.00 0.00 C ATOM 1182 OE1 GLN A 76 9.184 -3.157 11.722 1.00 0.00 O ATOM 1183 NE2 GLN A 76 7.993 -3.584 9.876 1.00 0.00 N ATOM 0 H GLN A 76 5.888 -0.314 12.702 1.00 0.00 H new ATOM 0 HA GLN A 76 4.027 -0.948 10.621 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.643 -2.662 10.018 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.430 -1.118 10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.140 -1.855 12.533 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.341 -3.395 12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.089 -3.545 9.405 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.803 -3.972 9.393 1.00 0.00 H new ATOM 1192 N GLN A 77 2.782 -2.931 11.411 1.00 0.00 N ATOM 1193 CA GLN A 77 1.897 -3.954 11.938 1.00 0.00 C ATOM 1194 C GLN A 77 1.272 -4.744 10.801 1.00 0.00 C ATOM 1195 O GLN A 77 0.817 -4.169 9.812 1.00 0.00 O ATOM 1196 CB GLN A 77 0.797 -3.315 12.793 1.00 0.00 C ATOM 1197 CG GLN A 77 0.873 -3.671 14.271 1.00 0.00 C ATOM 1198 CD GLN A 77 0.530 -5.124 14.553 1.00 0.00 C ATOM 1199 OE1 GLN A 77 1.039 -5.725 15.498 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -0.347 -5.698 13.745 1.00 0.00 N ATOM 0 H GLN A 77 2.513 -2.577 10.493 1.00 0.00 H new ATOM 0 HA GLN A 77 2.482 -4.631 12.561 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.853 -2.232 12.688 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.174 -3.623 12.406 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.879 -3.464 14.637 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.192 -3.028 14.829 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.749 -5.170 12.971 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.621 -6.669 13.896 1.00 0.00 H new ATOM 1209 N PHE A 78 1.270 -6.058 10.935 1.00 0.00 N ATOM 1210 CA PHE A 78 0.608 -6.915 9.969 1.00 0.00 C ATOM 1211 C PHE A 78 -0.889 -6.931 10.243 1.00 0.00 C ATOM 1212 O PHE A 78 -1.310 -7.020 11.397 1.00 0.00 O ATOM 1213 CB PHE A 78 1.174 -8.338 10.026 1.00 0.00 C ATOM 1214 CG PHE A 78 2.569 -8.459 9.474 1.00 0.00 C ATOM 1215 CD1 PHE A 78 3.671 -8.135 10.250 1.00 0.00 C ATOM 1216 CD2 PHE A 78 2.775 -8.902 8.177 1.00 0.00 C ATOM 1217 CE1 PHE A 78 4.952 -8.249 9.741 1.00 0.00 C ATOM 1218 CE2 PHE A 78 4.053 -9.017 7.662 1.00 0.00 C ATOM 1219 CZ PHE A 78 5.142 -8.690 8.445 1.00 0.00 C ATOM 0 H PHE A 78 1.720 -6.555 11.704 1.00 0.00 H new ATOM 0 HA PHE A 78 0.787 -6.520 8.969 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.172 -8.679 11.061 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.514 -9.004 9.470 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.528 -7.790 11.263 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.927 -9.161 7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.803 -7.994 10.355 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.199 -9.362 6.649 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.141 -8.779 8.045 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.711 -6.813 9.193 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.167 -6.819 9.333 1.00 0.00 C ATOM 1231 C PRO A 79 -3.681 -8.156 9.849 1.00 0.00 C ATOM 1232 O PRO A 79 -2.981 -9.169 9.780 1.00 0.00 O ATOM 1233 CB PRO A 79 -3.671 -6.560 7.909 1.00 0.00 C ATOM 1234 CG PRO A 79 -2.545 -6.961 7.021 1.00 0.00 C ATOM 1235 CD PRO A 79 -1.289 -6.669 7.791 1.00 0.00 C ATOM 0 HA PRO A 79 -3.513 -6.078 10.054 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.568 -7.142 7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.931 -5.511 7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.608 -8.018 6.763 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.568 -6.403 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.490 -7.366 7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.914 -5.666 7.585 1.00 0.00 H new ATOM 1243 N SER A 80 -4.900 -8.151 10.364 1.00 0.00 N ATOM 1244 CA SER A 80 -5.518 -9.358 10.879 1.00 0.00 C ATOM 1245 C SER A 80 -5.666 -10.395 9.771 1.00 0.00 C ATOM 1246 O SER A 80 -5.658 -10.051 8.584 1.00 0.00 O ATOM 1247 CB SER A 80 -6.877 -9.012 11.489 1.00 0.00 C ATOM 1248 OG SER A 80 -7.619 -8.165 10.628 1.00 0.00 O ATOM 0 H SER A 80 -5.483 -7.317 10.436 1.00 0.00 H new ATOM 0 HA SER A 80 -4.883 -9.787 11.654 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.439 -9.927 11.678 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.733 -8.522 12.452 1.00 0.00 H new ATOM 0 HG SER A 80 -8.485 -7.959 11.038 1.00 0.00 H new ATOM 1254 N THR A 81 -5.807 -11.657 10.155 1.00 0.00 N ATOM 1255 CA THR A 81 -5.886 -12.748 9.193 1.00 0.00 C ATOM 1256 C THR A 81 -7.066 -12.551 8.235 1.00 0.00 C ATOM 1257 O THR A 81 -7.026 -12.995 7.092 1.00 0.00 O ATOM 1258 CB THR A 81 -5.989 -14.121 9.906 1.00 0.00 C ATOM 1259 OG1 THR A 81 -5.998 -15.184 8.947 1.00 0.00 O ATOM 1260 CG2 THR A 81 -7.235 -14.208 10.774 1.00 0.00 C ATOM 0 H THR A 81 -5.869 -11.951 11.130 1.00 0.00 H new ATOM 0 HA THR A 81 -4.965 -12.739 8.610 1.00 0.00 H new ATOM 0 HB THR A 81 -5.115 -14.220 10.550 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.062 -16.044 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.274 -15.184 11.258 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.204 -13.427 11.534 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.121 -14.075 10.153 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.095 -11.848 8.698 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.263 -11.547 7.868 1.00 0.00 C ATOM 1270 C ASP A 82 -8.875 -10.662 6.685 1.00 0.00 C ATOM 1271 O ASP A 82 -9.378 -10.828 5.575 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.335 -10.857 8.718 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.611 -10.556 7.957 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -12.106 -11.446 7.229 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -12.154 -9.446 8.129 1.00 0.00 O ATOM 0 H ASP A 82 -8.146 -11.474 9.646 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.662 -12.482 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.572 -11.490 9.573 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.929 -9.926 9.114 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.952 -9.743 6.920 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.523 -8.809 5.890 1.00 0.00 C ATOM 1282 C VAL A 83 -6.342 -9.376 5.104 1.00 0.00 C ATOM 1283 O VAL A 83 -6.286 -9.270 3.876 1.00 0.00 O ATOM 1284 CB VAL A 83 -7.122 -7.452 6.503 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -6.816 -6.432 5.417 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.215 -6.943 7.428 1.00 0.00 C ATOM 0 H VAL A 83 -7.484 -9.623 7.818 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.366 -8.657 5.216 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.215 -7.598 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.536 -5.484 5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.993 -6.793 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.699 -6.287 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.916 -5.985 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.139 -6.818 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.375 -7.661 8.232 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.413 -9.993 5.822 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.208 -10.543 5.216 1.00 0.00 C ATOM 1298 C LEU A 84 -4.565 -11.667 4.245 1.00 0.00 C ATOM 1299 O LEU A 84 -4.102 -11.680 3.104 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.256 -11.040 6.316 1.00 0.00 C ATOM 1301 CG LEU A 84 -1.801 -11.290 5.893 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -0.891 -11.276 7.111 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.659 -12.618 5.162 1.00 0.00 C ATOM 0 H LEU A 84 -5.472 -10.126 6.832 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.702 -9.762 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.257 -10.310 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.658 -11.967 6.724 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.509 -10.490 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.138 -11.454 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.958 -10.306 7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.200 -12.058 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.618 -12.766 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.974 -13.430 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.283 -12.610 4.269 1.00 0.00 H new ATOM 1315 N ALA A 85 -5.408 -12.592 4.692 1.00 0.00 N ATOM 1316 CA ALA A 85 -5.811 -13.722 3.863 1.00 0.00 C ATOM 1317 C ALA A 85 -6.626 -13.261 2.662 1.00 0.00 C ATOM 1318 O ALA A 85 -6.585 -13.882 1.602 1.00 0.00 O ATOM 1319 CB ALA A 85 -6.600 -14.733 4.678 1.00 0.00 C ATOM 0 H ALA A 85 -5.825 -12.581 5.623 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.905 -14.202 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.891 -15.568 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.983 -15.101 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.493 -14.257 5.082 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.351 -12.160 2.827 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.156 -11.602 1.745 1.00 0.00 C ATOM 1327 C ALA A 86 -7.271 -11.186 0.575 1.00 0.00 C ATOM 1328 O ALA A 86 -7.602 -11.428 -0.584 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.974 -10.419 2.244 1.00 0.00 C ATOM 0 H ALA A 86 -7.398 -11.635 3.700 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.843 -12.373 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.568 -10.016 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.637 -10.747 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.304 -9.646 2.621 1.00 0.00 H new ATOM 1335 N CYS A 87 -6.136 -10.572 0.887 1.00 0.00 N ATOM 1336 CA CYS A 87 -5.186 -10.160 -0.136 1.00 0.00 C ATOM 1337 C CYS A 87 -4.418 -11.369 -0.665 1.00 0.00 C ATOM 1338 O CYS A 87 -4.131 -11.466 -1.860 1.00 0.00 O ATOM 1339 CB CYS A 87 -4.210 -9.125 0.430 1.00 0.00 C ATOM 1340 SG CYS A 87 -2.973 -8.540 -0.754 1.00 0.00 S ATOM 0 H CYS A 87 -5.852 -10.349 1.841 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.739 -9.708 -0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.778 -8.270 0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.697 -9.558 1.289 1.00 0.00 H new ATOM 0 HG CYS A 87 -2.338 -7.523 -0.251 1.00 0.00 H new ATOM 1346 N LEU A 88 -4.105 -12.291 0.236 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.341 -13.482 -0.108 1.00 0.00 C ATOM 1348 C LEU A 88 -4.114 -14.345 -1.105 1.00 0.00 C ATOM 1349 O LEU A 88 -3.552 -14.826 -2.088 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.019 -14.270 1.170 1.00 0.00 C ATOM 1351 CG LEU A 88 -1.856 -15.266 1.079 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -1.379 -15.634 2.474 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -2.264 -16.523 0.323 1.00 0.00 C ATOM 0 H LEU A 88 -4.371 -12.235 1.219 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.405 -13.186 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.798 -13.558 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.914 -14.815 1.470 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.044 -14.789 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.553 -16.342 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.043 -14.736 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.198 -16.089 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.419 -17.209 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.094 -17.005 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.572 -16.256 -0.688 1.00 0.00 H new ATOM 1365 N THR A 89 -5.411 -14.507 -0.868 1.00 0.00 N ATOM 1366 CA THR A 89 -6.249 -15.344 -1.722 1.00 0.00 C ATOM 1367 C THR A 89 -6.523 -14.682 -3.073 1.00 0.00 C ATOM 1368 O THR A 89 -7.135 -15.281 -3.958 1.00 0.00 O ATOM 1369 CB THR A 89 -7.583 -15.688 -1.035 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.155 -14.509 -0.454 1.00 0.00 O ATOM 1371 CG2 THR A 89 -7.381 -16.747 0.039 1.00 0.00 C ATOM 0 H THR A 89 -5.906 -14.070 -0.091 1.00 0.00 H new ATOM 0 HA THR A 89 -5.693 -16.266 -1.896 1.00 0.00 H new ATOM 0 HB THR A 89 -8.263 -16.085 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.822 -14.400 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.337 -16.974 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.976 -17.652 -0.414 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.685 -16.375 0.791 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.072 -13.443 -3.226 1.00 0.00 N ATOM 1380 CA ARG A 90 -6.162 -12.751 -4.504 1.00 0.00 C ATOM 1381 C ARG A 90 -4.909 -13.013 -5.329 1.00 0.00 C ATOM 1382 O ARG A 90 -4.818 -12.610 -6.488 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.346 -11.244 -4.301 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.681 -10.858 -3.688 1.00 0.00 C ATOM 1385 CD ARG A 90 -8.845 -11.302 -4.556 1.00 0.00 C ATOM 1386 NE ARG A 90 -10.112 -10.719 -4.115 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.308 -11.192 -4.457 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -11.406 -12.323 -5.151 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -12.404 -10.544 -4.081 1.00 0.00 N ATOM 0 H ARG A 90 -5.640 -12.897 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.032 -13.134 -5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.545 -10.874 -3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.242 -10.743 -5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.772 -11.308 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.720 -9.777 -3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.655 -11.016 -5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.919 -12.389 -4.534 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.077 -9.900 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.563 -12.830 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.324 -12.683 -5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.327 -9.688 -3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.323 -10.903 -4.341 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.940 -13.682 -4.711 1.00 0.00 N ATOM 1404 CA GLY A 91 -2.703 -14.003 -5.391 1.00 0.00 C ATOM 1405 C GLY A 91 -1.723 -12.848 -5.385 1.00 0.00 C ATOM 1406 O GLY A 91 -0.738 -12.856 -6.124 1.00 0.00 O ATOM 0 H GLY A 91 -3.993 -14.008 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.243 -14.868 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.921 -14.286 -6.421 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.988 -11.859 -4.541 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.158 -10.666 -4.473 1.00 0.00 C ATOM 1412 C ILE A 92 -0.285 -10.693 -3.225 1.00 0.00 C ATOM 1413 O ILE A 92 -0.745 -11.075 -2.145 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.022 -9.386 -4.464 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.026 -9.413 -5.619 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.139 -8.146 -4.558 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -3.989 -8.247 -5.611 1.00 0.00 C ATOM 0 H ILE A 92 -2.775 -11.861 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.524 -10.656 -5.359 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.573 -9.348 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.481 -9.417 -6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.594 -10.343 -5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.764 -7.253 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.458 -8.119 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.564 -8.178 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.670 -8.332 -6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.561 -8.254 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.431 -7.314 -5.687 1.00 0.00 H new ATOM 1429 N GLY A 93 0.975 -10.310 -3.378 1.00 0.00 N ATOM 1430 CA GLY A 93 1.879 -10.262 -2.247 1.00 0.00 C ATOM 1431 C GLY A 93 1.654 -9.032 -1.389 1.00 0.00 C ATOM 1432 O GLY A 93 1.711 -7.903 -1.883 1.00 0.00 O ATOM 0 H GLY A 93 1.388 -10.031 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.746 -11.157 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.908 -10.270 -2.606 1.00 0.00 H new ATOM 1436 N LEU A 94 1.388 -9.254 -0.111 1.00 0.00 N ATOM 1437 CA LEU A 94 1.155 -8.164 0.824 1.00 0.00 C ATOM 1438 C LEU A 94 2.366 -7.968 1.730 1.00 0.00 C ATOM 1439 O LEU A 94 2.573 -8.721 2.685 1.00 0.00 O ATOM 1440 CB LEU A 94 -0.095 -8.444 1.665 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.452 -7.367 2.693 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.743 -6.042 2.006 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.644 -7.809 3.529 1.00 0.00 C ATOM 0 H LEU A 94 1.328 -10.184 0.304 1.00 0.00 H new ATOM 0 HA LEU A 94 0.997 -7.248 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.943 -8.575 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.045 -9.390 2.189 1.00 0.00 H new ATOM 0 HG LEU A 94 0.403 -7.226 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.994 -5.291 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.137 -5.719 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.581 -6.164 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.886 -7.033 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.502 -7.978 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.399 -8.733 4.053 1.00 0.00 H new ATOM 1455 N GLU A 95 3.169 -6.962 1.417 1.00 0.00 N ATOM 1456 CA GLU A 95 4.364 -6.658 2.194 1.00 0.00 C ATOM 1457 C GLU A 95 4.062 -5.564 3.213 1.00 0.00 C ATOM 1458 O GLU A 95 3.683 -4.457 2.841 1.00 0.00 O ATOM 1459 CB GLU A 95 5.492 -6.207 1.261 1.00 0.00 C ATOM 1460 CG GLU A 95 5.838 -7.217 0.177 1.00 0.00 C ATOM 1461 CD GLU A 95 6.509 -8.459 0.722 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.753 -8.470 0.817 1.00 0.00 O ATOM 1463 OE2 GLU A 95 5.803 -9.430 1.059 1.00 0.00 O ATOM 0 H GLU A 95 3.014 -6.338 0.625 1.00 0.00 H new ATOM 0 HA GLU A 95 4.679 -7.557 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.206 -5.267 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.384 -6.007 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.928 -7.503 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.495 -6.747 -0.555 1.00 0.00 H new ATOM 1470 N ALA A 96 4.221 -5.872 4.492 1.00 0.00 N ATOM 1471 CA ALA A 96 3.921 -4.908 5.547 1.00 0.00 C ATOM 1472 C ALA A 96 5.200 -4.318 6.130 1.00 0.00 C ATOM 1473 O ALA A 96 6.047 -5.041 6.657 1.00 0.00 O ATOM 1474 CB ALA A 96 3.087 -5.558 6.641 1.00 0.00 C ATOM 0 H ALA A 96 4.554 -6.776 4.826 1.00 0.00 H new ATOM 0 HA ALA A 96 3.344 -4.094 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.873 -4.825 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.151 -5.922 6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.639 -6.393 7.072 1.00 0.00 H new ATOM 1480 N MET A 97 5.335 -3.001 6.035 1.00 0.00 N ATOM 1481 CA MET A 97 6.525 -2.304 6.512 1.00 0.00 C ATOM 1482 C MET A 97 6.146 -0.961 7.129 1.00 0.00 C ATOM 1483 O MET A 97 4.966 -0.633 7.258 1.00 0.00 O ATOM 1484 CB MET A 97 7.510 -2.063 5.358 1.00 0.00 C ATOM 1485 CG MET A 97 8.087 -3.328 4.743 1.00 0.00 C ATOM 1486 SD MET A 97 9.214 -2.979 3.380 1.00 0.00 S ATOM 1487 CE MET A 97 9.688 -4.637 2.899 1.00 0.00 C ATOM 0 H MET A 97 4.628 -2.388 5.628 1.00 0.00 H new ATOM 0 HA MET A 97 6.999 -2.931 7.267 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.003 -1.494 4.578 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.331 -1.445 5.722 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.615 -3.894 5.511 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.273 -3.958 4.385 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.386 -4.588 2.063 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.165 -5.138 3.741 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.802 -5.196 2.599 1.00 0.00 H new ATOM 1497 N THR A 98 7.152 -0.193 7.519 1.00 0.00 N ATOM 1498 CA THR A 98 6.939 1.171 7.971 1.00 0.00 C ATOM 1499 C THR A 98 6.881 2.098 6.764 1.00 0.00 C ATOM 1500 O THR A 98 7.158 1.667 5.645 1.00 0.00 O ATOM 1501 CB THR A 98 8.068 1.628 8.912 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.339 1.410 8.283 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.011 0.882 10.235 1.00 0.00 C ATOM 0 H THR A 98 8.127 -0.494 7.531 1.00 0.00 H new ATOM 0 HA THR A 98 5.999 1.208 8.521 1.00 0.00 H new ATOM 0 HB THR A 98 7.938 2.691 9.115 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.056 1.703 8.883 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.820 1.224 10.881 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.054 1.074 10.720 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.119 -0.188 10.055 1.00 0.00 H new ATOM 1511 N ASN A 99 6.533 3.358 6.982 1.00 0.00 N ATOM 1512 CA ASN A 99 6.479 4.327 5.890 1.00 0.00 C ATOM 1513 C ASN A 99 7.835 4.430 5.192 1.00 0.00 C ATOM 1514 O ASN A 99 7.923 4.369 3.965 1.00 0.00 O ATOM 1515 CB ASN A 99 6.063 5.705 6.411 1.00 0.00 C ATOM 1516 CG ASN A 99 5.958 6.736 5.303 1.00 0.00 C ATOM 1517 OD1 ASN A 99 6.936 7.387 4.948 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.763 6.895 4.756 1.00 0.00 N ATOM 0 H ASN A 99 6.285 3.734 7.897 1.00 0.00 H new ATOM 0 HA ASN A 99 5.736 3.981 5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.102 5.623 6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.787 6.044 7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.630 7.579 4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.975 6.334 5.080 1.00 0.00 H new ATOM 1525 N ALA A 100 8.887 4.552 5.992 1.00 0.00 N ATOM 1526 CA ALA A 100 10.242 4.711 5.475 1.00 0.00 C ATOM 1527 C ALA A 100 10.698 3.477 4.699 1.00 0.00 C ATOM 1528 O ALA A 100 11.275 3.591 3.615 1.00 0.00 O ATOM 1529 CB ALA A 100 11.205 5.004 6.617 1.00 0.00 C ATOM 0 H ALA A 100 8.827 4.544 7.010 1.00 0.00 H new ATOM 0 HA ALA A 100 10.239 5.552 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.214 5.121 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.904 5.923 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.188 4.178 7.328 1.00 0.00 H new ATOM 1535 N ALA A 101 10.428 2.300 5.254 1.00 0.00 N ATOM 1536 CA ALA A 101 10.845 1.050 4.629 1.00 0.00 C ATOM 1537 C ALA A 101 10.042 0.776 3.362 1.00 0.00 C ATOM 1538 O ALA A 101 10.583 0.287 2.364 1.00 0.00 O ATOM 1539 CB ALA A 101 10.705 -0.103 5.610 1.00 0.00 C ATOM 0 H ALA A 101 9.924 2.186 6.133 1.00 0.00 H new ATOM 0 HA ALA A 101 11.894 1.144 4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.020 -1.030 5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.330 0.084 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.664 -0.191 5.922 1.00 0.00 H new ATOM 1545 N ALA A 102 8.756 1.105 3.400 1.00 0.00 N ATOM 1546 CA ALA A 102 7.884 0.910 2.252 1.00 0.00 C ATOM 1547 C ALA A 102 8.330 1.778 1.084 1.00 0.00 C ATOM 1548 O ALA A 102 8.406 1.309 -0.047 1.00 0.00 O ATOM 1549 CB ALA A 102 6.439 1.215 2.620 1.00 0.00 C ATOM 0 H ALA A 102 8.295 1.509 4.216 1.00 0.00 H new ATOM 0 HA ALA A 102 7.950 -0.135 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.802 1.064 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.120 0.550 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.359 2.250 2.952 1.00 0.00 H new ATOM 1555 N ALA A 103 8.641 3.039 1.367 1.00 0.00 N ATOM 1556 CA ALA A 103 9.094 3.967 0.335 1.00 0.00 C ATOM 1557 C ALA A 103 10.397 3.491 -0.304 1.00 0.00 C ATOM 1558 O ALA A 103 10.579 3.590 -1.521 1.00 0.00 O ATOM 1559 CB ALA A 103 9.271 5.361 0.919 1.00 0.00 C ATOM 0 H ALA A 103 8.588 3.442 2.302 1.00 0.00 H new ATOM 0 HA ALA A 103 8.331 4.003 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.609 6.042 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.320 5.711 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.011 5.329 1.718 1.00 0.00 H new ATOM 1565 N ARG A 104 11.289 2.957 0.524 1.00 0.00 N ATOM 1566 CA ARG A 104 12.580 2.460 0.060 1.00 0.00 C ATOM 1567 C ARG A 104 12.389 1.320 -0.939 1.00 0.00 C ATOM 1568 O ARG A 104 13.073 1.252 -1.961 1.00 0.00 O ATOM 1569 CB ARG A 104 13.417 1.995 1.257 1.00 0.00 C ATOM 1570 CG ARG A 104 14.851 1.604 0.921 1.00 0.00 C ATOM 1571 CD ARG A 104 15.588 2.728 0.208 1.00 0.00 C ATOM 1572 NE ARG A 104 16.998 2.796 0.590 1.00 0.00 N ATOM 1573 CZ ARG A 104 18.015 2.442 -0.199 1.00 0.00 C ATOM 1574 NH1 ARG A 104 17.786 1.877 -1.378 1.00 0.00 N ATOM 1575 NH2 ARG A 104 19.264 2.627 0.205 1.00 0.00 N ATOM 0 H ARG A 104 11.140 2.857 1.528 1.00 0.00 H new ATOM 0 HA ARG A 104 13.108 3.268 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.437 2.792 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.921 1.141 1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 104 15.382 1.344 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.848 0.714 0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.512 2.583 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.106 3.678 0.437 1.00 0.00 H new ATOM 0 HE ARG A 104 17.220 3.138 1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.828 1.711 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 104 18.568 1.609 -1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.448 3.040 1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 104 20.041 2.356 -0.398 1.00 0.00 H new ATOM 1589 N THR A 105 11.444 0.440 -0.647 1.00 0.00 N ATOM 1590 CA THR A 105 11.154 -0.686 -1.521 1.00 0.00 C ATOM 1591 C THR A 105 10.311 -0.238 -2.722 1.00 0.00 C ATOM 1592 O THR A 105 10.477 -0.738 -3.838 1.00 0.00 O ATOM 1593 CB THR A 105 10.409 -1.792 -0.744 1.00 0.00 C ATOM 1594 OG1 THR A 105 11.078 -2.038 0.503 1.00 0.00 O ATOM 1595 CG2 THR A 105 10.348 -3.083 -1.547 1.00 0.00 C ATOM 0 H THR A 105 10.864 0.484 0.191 1.00 0.00 H new ATOM 0 HA THR A 105 12.101 -1.083 -1.887 1.00 0.00 H new ATOM 0 HB THR A 105 9.390 -1.452 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.896 -1.301 1.123 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.817 -3.843 -0.974 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.823 -2.904 -2.485 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.360 -3.428 -1.758 1.00 0.00 H new ATOM 1603 N TYR A 106 9.434 0.731 -2.483 1.00 0.00 N ATOM 1604 CA TYR A 106 8.511 1.233 -3.499 1.00 0.00 C ATOM 1605 C TYR A 106 9.250 1.778 -4.715 1.00 0.00 C ATOM 1606 O TYR A 106 8.898 1.461 -5.851 1.00 0.00 O ATOM 1607 CB TYR A 106 7.624 2.328 -2.897 1.00 0.00 C ATOM 1608 CG TYR A 106 6.595 2.893 -3.851 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.454 2.174 -4.174 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.763 4.149 -4.422 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.507 2.688 -5.039 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.819 4.670 -5.287 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.694 3.935 -5.592 1.00 0.00 C ATOM 1614 OH TYR A 106 3.749 4.448 -6.449 1.00 0.00 O ATOM 0 H TYR A 106 9.342 1.193 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 106 7.895 0.398 -3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.110 1.924 -2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.259 3.140 -2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.303 1.196 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.645 4.727 -4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.624 2.114 -5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.962 5.648 -5.722 1.00 0.00 H new ATOM 0 HH TYR A 106 2.858 4.339 -6.056 1.00 0.00 H new ATOM 1624 N ASN A 107 10.275 2.589 -4.469 1.00 0.00 N ATOM 1625 CA ASN A 107 11.031 3.223 -5.550 1.00 0.00 C ATOM 1626 C ASN A 107 11.577 2.181 -6.526 1.00 0.00 C ATOM 1627 O ASN A 107 11.577 2.393 -7.738 1.00 0.00 O ATOM 1628 CB ASN A 107 12.177 4.068 -4.979 1.00 0.00 C ATOM 1629 CG ASN A 107 12.974 4.785 -6.058 1.00 0.00 C ATOM 1630 OD1 ASN A 107 12.626 5.890 -6.476 1.00 0.00 O ATOM 1631 ND2 ASN A 107 14.062 4.170 -6.503 1.00 0.00 N ATOM 0 H ASN A 107 10.603 2.824 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 107 10.351 3.876 -6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.770 4.803 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.846 3.426 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.642 4.612 -7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.318 3.255 -6.132 1.00 0.00 H new ATOM 1638 N VAL A 108 12.015 1.046 -5.994 1.00 0.00 N ATOM 1639 CA VAL A 108 12.567 -0.021 -6.820 1.00 0.00 C ATOM 1640 C VAL A 108 11.472 -0.680 -7.655 1.00 0.00 C ATOM 1641 O VAL A 108 11.613 -0.839 -8.868 1.00 0.00 O ATOM 1642 CB VAL A 108 13.271 -1.096 -5.961 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.852 -2.199 -6.836 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.358 -0.467 -5.106 1.00 0.00 C ATOM 0 H VAL A 108 11.999 0.841 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 108 13.304 0.434 -7.482 1.00 0.00 H new ATOM 0 HB VAL A 108 12.526 -1.543 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.342 -2.942 -6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.051 -2.674 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.580 -1.771 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.843 -1.239 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.097 0.011 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.916 0.279 -4.446 1.00 0.00 H new ATOM 1654 N LEU A 109 10.373 -1.036 -7.002 1.00 0.00 N ATOM 1655 CA LEU A 109 9.275 -1.731 -7.664 1.00 0.00 C ATOM 1656 C LEU A 109 8.627 -0.850 -8.733 1.00 0.00 C ATOM 1657 O LEU A 109 8.250 -1.332 -9.803 1.00 0.00 O ATOM 1658 CB LEU A 109 8.232 -2.172 -6.635 1.00 0.00 C ATOM 1659 CG LEU A 109 8.761 -3.085 -5.527 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.648 -3.447 -4.558 1.00 0.00 C ATOM 1661 CD2 LEU A 109 9.380 -4.342 -6.117 1.00 0.00 C ATOM 0 H LEU A 109 10.218 -0.854 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 109 9.682 -2.614 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.798 -1.283 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.426 -2.688 -7.156 1.00 0.00 H new ATOM 0 HG LEU A 109 9.534 -2.545 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.043 -4.097 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.249 -2.539 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.853 -3.966 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.750 -4.978 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.628 -4.883 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.207 -4.067 -6.772 1.00 0.00 H new ATOM 1673 N ALA A 110 8.510 0.440 -8.437 1.00 0.00 N ATOM 1674 CA ALA A 110 7.941 1.394 -9.383 1.00 0.00 C ATOM 1675 C ALA A 110 8.827 1.524 -10.618 1.00 0.00 C ATOM 1676 O ALA A 110 8.334 1.684 -11.737 1.00 0.00 O ATOM 1677 CB ALA A 110 7.748 2.748 -8.718 1.00 0.00 C ATOM 0 H ALA A 110 8.802 0.849 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 110 6.967 1.023 -9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.323 3.449 -9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.072 2.643 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 110 8.711 3.123 -8.371 1.00 0.00 H new ATOM 1683 N SER A 111 10.135 1.421 -10.410 1.00 0.00 N ATOM 1684 CA SER A 111 11.096 1.537 -11.501 1.00 0.00 C ATOM 1685 C SER A 111 11.140 0.258 -12.340 1.00 0.00 C ATOM 1686 O SER A 111 11.809 0.205 -13.375 1.00 0.00 O ATOM 1687 CB SER A 111 12.485 1.858 -10.944 1.00 0.00 C ATOM 1688 OG SER A 111 12.464 3.065 -10.195 1.00 0.00 O ATOM 0 H SER A 111 10.555 1.257 -9.495 1.00 0.00 H new ATOM 0 HA SER A 111 10.776 2.351 -12.151 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.826 1.038 -10.311 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.198 1.946 -11.763 1.00 0.00 H new ATOM 0 HG SER A 111 11.945 2.932 -9.375 1.00 0.00 H new ATOM 1694 N GLU A 112 10.425 -0.768 -11.892 1.00 0.00 N ATOM 1695 CA GLU A 112 10.324 -2.019 -12.634 1.00 0.00 C ATOM 1696 C GLU A 112 9.091 -2.025 -13.528 1.00 0.00 C ATOM 1697 O GLU A 112 8.857 -2.979 -14.274 1.00 0.00 O ATOM 1698 CB GLU A 112 10.281 -3.209 -11.676 1.00 0.00 C ATOM 1699 CG GLU A 112 11.652 -3.764 -11.341 1.00 0.00 C ATOM 1700 CD GLU A 112 12.337 -4.353 -12.556 1.00 0.00 C ATOM 1701 OE1 GLU A 112 12.152 -5.560 -12.825 1.00 0.00 O ATOM 1702 OE2 GLU A 112 13.059 -3.617 -13.256 1.00 0.00 O ATOM 0 H GLU A 112 9.905 -0.757 -11.015 1.00 0.00 H new ATOM 0 HA GLU A 112 11.208 -2.106 -13.265 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.785 -2.906 -10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.675 -4.000 -12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.272 -2.971 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.555 -4.531 -10.572 1.00 0.00 H new ATOM 1709 N GLY A 113 8.301 -0.962 -13.444 1.00 0.00 N ATOM 1710 CA GLY A 113 7.099 -0.860 -14.250 1.00 0.00 C ATOM 1711 C GLY A 113 5.997 -1.772 -13.753 1.00 0.00 C ATOM 1712 O GLY A 113 5.082 -2.124 -14.500 1.00 0.00 O ATOM 0 H GLY A 113 8.472 -0.166 -12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.746 0.171 -14.243 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.335 -1.109 -15.285 1.00 0.00 H new ATOM 1716 N ARG A 114 6.084 -2.158 -12.488 1.00 0.00 N ATOM 1717 CA ARG A 114 5.085 -3.027 -11.890 1.00 0.00 C ATOM 1718 C ARG A 114 4.064 -2.204 -11.126 1.00 0.00 C ATOM 1719 O ARG A 114 4.405 -1.193 -10.509 1.00 0.00 O ATOM 1720 CB ARG A 114 5.735 -4.042 -10.949 1.00 0.00 C ATOM 1721 CG ARG A 114 6.656 -5.017 -11.656 1.00 0.00 C ATOM 1722 CD ARG A 114 7.285 -6.000 -10.683 1.00 0.00 C ATOM 1723 NE ARG A 114 8.199 -6.909 -11.364 1.00 0.00 N ATOM 1724 CZ ARG A 114 9.384 -7.280 -10.887 1.00 0.00 C ATOM 1725 NH1 ARG A 114 9.749 -6.947 -9.653 1.00 0.00 N ATOM 1726 NH2 ARG A 114 10.191 -8.023 -11.631 1.00 0.00 N ATOM 0 H ARG A 114 6.837 -1.882 -11.857 1.00 0.00 H new ATOM 0 HA ARG A 114 4.585 -3.568 -12.693 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.301 -3.508 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 114 4.954 -4.601 -10.434 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.095 -5.563 -12.414 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.440 -4.466 -12.175 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.822 -5.454 -9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.503 -6.573 -10.185 1.00 0.00 H new ATOM 0 HE ARG A 114 7.910 -7.286 -12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.119 -6.403 -9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.659 -7.236 -9.295 1.00 0.00 H new ATOM 0 HH21 ARG A 114 9.903 -8.309 -12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 114 11.100 -8.309 -11.268 1.00 0.00 H new ATOM 1740 N ARG A 115 2.813 -2.630 -11.177 1.00 0.00 N ATOM 1741 CA ARG A 115 1.762 -1.959 -10.438 1.00 0.00 C ATOM 1742 C ARG A 115 1.893 -2.265 -8.955 1.00 0.00 C ATOM 1743 O ARG A 115 1.350 -3.253 -8.449 1.00 0.00 O ATOM 1744 CB ARG A 115 0.379 -2.363 -10.949 1.00 0.00 C ATOM 1745 CG ARG A 115 0.161 -2.049 -12.420 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.286 -2.262 -12.825 1.00 0.00 C ATOM 1747 NE ARG A 115 -2.181 -1.290 -12.193 1.00 0.00 N ATOM 1748 CZ ARG A 115 -3.398 -1.580 -11.739 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -3.844 -2.828 -11.785 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -4.162 -0.621 -11.226 1.00 0.00 N ATOM 0 H ARG A 115 2.503 -3.435 -11.721 1.00 0.00 H new ATOM 0 HA ARG A 115 1.870 -0.885 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.239 -3.432 -10.789 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.381 -1.851 -10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.448 -1.016 -12.619 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.807 -2.682 -13.028 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.374 -2.185 -13.909 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.595 -3.271 -12.551 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.851 -0.330 -12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.254 -3.567 -12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.777 -3.049 -11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.816 0.337 -11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.095 -0.843 -10.878 1.00 0.00 H new ATOM 1764 N VAL A 116 2.670 -1.447 -8.279 1.00 0.00 N ATOM 1765 CA VAL A 116 2.856 -1.572 -6.852 1.00 0.00 C ATOM 1766 C VAL A 116 1.906 -0.636 -6.113 1.00 0.00 C ATOM 1767 O VAL A 116 1.941 0.580 -6.290 1.00 0.00 O ATOM 1768 CB VAL A 116 4.327 -1.301 -6.450 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.846 -0.018 -7.084 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.473 -1.254 -4.936 1.00 0.00 C ATOM 0 H VAL A 116 3.189 -0.678 -8.703 1.00 0.00 H new ATOM 0 HA VAL A 116 2.624 -2.598 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 116 4.932 -2.126 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.881 0.144 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.793 -0.101 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.236 0.823 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.514 -1.063 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.847 -0.457 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.163 -2.208 -4.511 1.00 0.00 H new ATOM 1780 N ALA A 117 1.032 -1.218 -5.310 1.00 0.00 N ATOM 1781 CA ALA A 117 0.070 -0.450 -4.549 1.00 0.00 C ATOM 1782 C ALA A 117 0.664 -0.046 -3.212 1.00 0.00 C ATOM 1783 O ALA A 117 0.781 -0.865 -2.304 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.207 -1.250 -4.346 1.00 0.00 C ATOM 0 H ALA A 117 0.971 -2.227 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.177 0.453 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.920 -0.658 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.639 -1.498 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.979 -2.168 -3.805 1.00 0.00 H new ATOM 1790 N LEU A 118 1.065 1.207 -3.107 1.00 0.00 N ATOM 1791 CA LEU A 118 1.639 1.708 -1.875 1.00 0.00 C ATOM 1792 C LEU A 118 0.536 2.205 -0.956 1.00 0.00 C ATOM 1793 O LEU A 118 0.020 3.313 -1.124 1.00 0.00 O ATOM 1794 CB LEU A 118 2.637 2.831 -2.167 1.00 0.00 C ATOM 1795 CG LEU A 118 3.421 3.351 -0.962 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.272 2.244 -0.356 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.291 4.529 -1.369 1.00 0.00 C ATOM 0 H LEU A 118 1.004 1.894 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 118 2.173 0.897 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.347 2.476 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.096 3.666 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 118 2.711 3.687 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.822 2.635 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.628 1.427 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.976 1.877 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.844 4.890 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.993 4.213 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.661 5.330 -1.756 1.00 0.00 H new ATOM 1809 N ALA A 119 0.152 1.363 -0.011 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.857 1.722 0.966 1.00 0.00 C ATOM 1811 C ALA A 119 -0.224 2.571 2.054 1.00 0.00 C ATOM 1812 O ALA A 119 0.401 2.054 2.984 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.506 0.479 1.554 1.00 0.00 C ATOM 0 H ALA A 119 0.528 0.421 0.099 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.641 2.300 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.260 0.773 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -1.978 -0.097 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.746 -0.132 2.042 1.00 0.00 H new ATOM 1819 N MET A 120 -0.355 3.874 1.909 1.00 0.00 N ATOM 1820 CA MET A 120 0.280 4.807 2.813 1.00 0.00 C ATOM 1821 C MET A 120 -0.649 5.178 3.951 1.00 0.00 C ATOM 1822 O MET A 120 -1.508 6.044 3.804 1.00 0.00 O ATOM 1823 CB MET A 120 0.705 6.071 2.064 1.00 0.00 C ATOM 1824 CG MET A 120 1.823 5.868 1.049 1.00 0.00 C ATOM 1825 SD MET A 120 3.475 5.920 1.781 1.00 0.00 S ATOM 1826 CE MET A 120 3.482 4.430 2.772 1.00 0.00 C ATOM 0 H MET A 120 -0.901 4.312 1.167 1.00 0.00 H new ATOM 0 HA MET A 120 1.163 4.321 3.228 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.164 6.480 1.549 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.025 6.817 2.791 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.683 4.907 0.553 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.750 6.637 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 120 4.507 4.082 2.899 1.00 0.00 H new ATOM 0 HE2 MET A 120 3.047 4.641 3.749 1.00 0.00 H new ATOM 0 HE3 MET A 120 2.896 3.658 2.273 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.494 4.499 5.072 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.178 4.881 6.290 1.00 0.00 C ATOM 1838 C ILE A 121 -0.262 5.799 7.079 1.00 0.00 C ATOM 1839 O ILE A 121 0.689 5.345 7.716 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.568 3.657 7.147 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.458 2.707 6.336 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.278 4.103 8.422 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.859 1.458 7.089 1.00 0.00 C ATOM 0 H ILE A 121 0.103 3.677 5.163 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.105 5.390 6.027 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.660 3.124 7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.358 3.240 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.932 2.419 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.546 3.228 9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.615 4.745 9.002 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.181 4.655 8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.487 0.835 6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.966 0.902 7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.414 1.736 7.985 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.510 7.094 6.983 1.00 0.00 N ATOM 1856 CA VAL A 122 0.393 8.080 7.553 1.00 0.00 C ATOM 1857 C VAL A 122 -0.335 8.976 8.552 1.00 0.00 C ATOM 1858 O VAL A 122 -1.542 9.188 8.444 1.00 0.00 O ATOM 1859 CB VAL A 122 1.017 8.957 6.441 1.00 0.00 C ATOM 1860 CG1 VAL A 122 2.160 9.790 6.986 1.00 0.00 C ATOM 1861 CG2 VAL A 122 1.494 8.105 5.273 1.00 0.00 C ATOM 0 H VAL A 122 -1.328 7.487 6.517 1.00 0.00 H new ATOM 0 HA VAL A 122 1.184 7.539 8.072 1.00 0.00 H new ATOM 0 HB VAL A 122 0.241 9.631 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.582 10.397 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.790 10.441 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.931 9.132 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.928 8.748 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.246 7.398 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.650 7.558 4.853 1.00 0.00 H new ATOM 1871 N GLY A 123 0.400 9.485 9.532 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.171 10.419 10.478 1.00 0.00 C ATOM 1873 C GLY A 123 -0.155 9.895 11.895 1.00 0.00 C ATOM 1874 O GLY A 123 0.892 9.476 12.401 1.00 0.00 O ATOM 0 H GLY A 123 1.384 9.266 9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 123 0.382 11.357 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.198 10.641 10.188 1.00 0.00 H new ATOM 1878 N GLY A 124 -1.315 9.911 12.533 1.00 0.00 N ATOM 1879 CA GLY A 124 -1.416 9.463 13.905 1.00 0.00 C ATOM 1880 C GLY A 124 -2.010 10.526 14.803 1.00 0.00 C ATOM 1881 O GLY A 124 -1.371 11.540 15.083 1.00 0.00 O ATOM 0 H GLY A 124 -2.193 10.228 12.122 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -2.032 8.565 13.949 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -0.427 9.190 14.271 1.00 0.00 H new ATOM 1885 N LEU A 125 -3.235 10.298 15.247 1.00 0.00 N ATOM 1886 CA LEU A 125 -3.923 11.249 16.103 1.00 0.00 C ATOM 1887 C LEU A 125 -3.666 10.924 17.568 1.00 0.00 C ATOM 1888 O LEU A 125 -4.004 9.830 18.030 1.00 0.00 O ATOM 1889 CB LEU A 125 -5.426 11.234 15.816 1.00 0.00 C ATOM 1890 CG LEU A 125 -5.817 11.557 14.373 1.00 0.00 C ATOM 1891 CD1 LEU A 125 -7.325 11.470 14.199 1.00 0.00 C ATOM 1892 CD2 LEU A 125 -5.311 12.937 13.977 1.00 0.00 C ATOM 0 H LEU A 125 -3.774 9.460 15.028 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.537 12.246 15.892 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.818 10.249 16.070 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.913 11.951 16.477 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.352 10.821 13.717 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -7.586 11.703 13.167 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -7.661 10.462 14.440 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -7.810 12.183 14.866 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -5.599 13.148 12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -5.746 13.687 14.637 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -4.225 12.965 14.063 1.00 0.00 H new ATOM 1904 N GLU A 126 -3.074 11.886 18.281 1.00 0.00 N ATOM 1905 CA GLU A 126 -2.714 11.732 19.692 1.00 0.00 C ATOM 1906 C GLU A 126 -1.556 10.750 19.862 1.00 0.00 C ATOM 1907 O GLU A 126 -1.506 9.701 19.223 1.00 0.00 O ATOM 1908 CB GLU A 126 -3.921 11.291 20.523 1.00 0.00 C ATOM 1909 CG GLU A 126 -5.055 12.299 20.514 1.00 0.00 C ATOM 1910 CD GLU A 126 -6.330 11.739 21.099 1.00 0.00 C ATOM 1911 OE1 GLU A 126 -6.414 11.605 22.337 1.00 0.00 O ATOM 1912 OE2 GLU A 126 -7.255 11.431 20.322 1.00 0.00 O ATOM 0 H GLU A 126 -2.830 12.797 17.893 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.388 12.706 20.057 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -4.288 10.338 20.141 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -3.603 11.121 21.552 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -4.757 13.182 21.079 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -5.240 12.624 19.490 1.00 0.00 H new ATOM 1919 N HIS A 127 -0.614 11.100 20.724 1.00 0.00 N ATOM 1920 CA HIS A 127 0.560 10.263 20.925 1.00 0.00 C ATOM 1921 C HIS A 127 0.988 10.220 22.390 1.00 0.00 C ATOM 1922 O HIS A 127 1.685 9.296 22.805 1.00 0.00 O ATOM 1923 CB HIS A 127 1.728 10.745 20.048 1.00 0.00 C ATOM 1924 CG HIS A 127 2.146 12.167 20.292 1.00 0.00 C ATOM 1925 ND1 HIS A 127 3.121 12.520 21.198 1.00 0.00 N ATOM 1926 CD2 HIS A 127 1.724 13.323 19.729 1.00 0.00 C ATOM 1927 CE1 HIS A 127 3.280 13.830 21.183 1.00 0.00 C ATOM 1928 NE2 HIS A 127 2.444 14.343 20.301 1.00 0.00 N ATOM 0 H HIS A 127 -0.637 11.948 21.290 1.00 0.00 H new ATOM 0 HA HIS A 127 0.285 9.250 20.629 1.00 0.00 H new ATOM 0 HB2 HIS A 127 2.585 10.094 20.217 1.00 0.00 H new ATOM 0 HB3 HIS A 127 1.447 10.637 19.000 1.00 0.00 H new ATOM 0 HD2 HIS A 127 0.962 13.425 18.970 1.00 0.00 H new ATOM 0 HE1 HIS A 127 3.977 14.388 21.790 1.00 0.00 H new ATOM 0 HE2 HIS A 127 2.348 15.334 20.080 1.00 0.00 H new ATOM 1937 N HIS A 128 0.580 11.209 23.178 1.00 0.00 N ATOM 1938 CA HIS A 128 1.024 11.273 24.565 1.00 0.00 C ATOM 1939 C HIS A 128 -0.147 11.307 25.544 1.00 0.00 C ATOM 1940 O HIS A 128 -0.142 10.579 26.532 1.00 0.00 O ATOM 1941 CB HIS A 128 1.936 12.488 24.785 1.00 0.00 C ATOM 1942 CG HIS A 128 2.646 12.478 26.110 1.00 0.00 C ATOM 1943 ND1 HIS A 128 3.096 13.622 26.733 1.00 0.00 N ATOM 1944 CD2 HIS A 128 3.000 11.450 26.922 1.00 0.00 C ATOM 1945 CE1 HIS A 128 3.687 13.301 27.868 1.00 0.00 C ATOM 1946 NE2 HIS A 128 3.641 11.992 28.005 1.00 0.00 N ATOM 0 H HIS A 128 -0.044 11.962 22.888 1.00 0.00 H new ATOM 0 HA HIS A 128 1.589 10.362 24.762 1.00 0.00 H new ATOM 0 HB2 HIS A 128 2.677 12.525 23.986 1.00 0.00 H new ATOM 0 HB3 HIS A 128 1.340 13.397 24.709 1.00 0.00 H new ATOM 0 HD2 HIS A 128 2.812 10.401 26.747 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.133 13.994 28.566 1.00 0.00 H new ATOM 0 HE2 HIS A 128 4.022 11.466 28.792 1.00 0.00 H new ATOM 1955 N HIS A 129 -1.159 12.130 25.274 1.00 0.00 N ATOM 1956 CA HIS A 129 -2.244 12.323 26.245 1.00 0.00 C ATOM 1957 C HIS A 129 -3.340 11.264 26.095 1.00 0.00 C ATOM 1958 O HIS A 129 -4.503 11.511 26.404 1.00 0.00 O ATOM 1959 CB HIS A 129 -2.833 13.748 26.150 1.00 0.00 C ATOM 1960 CG HIS A 129 -3.677 14.038 24.938 1.00 0.00 C ATOM 1961 ND1 HIS A 129 -3.188 14.652 23.803 1.00 0.00 N ATOM 1962 CD2 HIS A 129 -4.997 13.834 24.707 1.00 0.00 C ATOM 1963 CE1 HIS A 129 -4.171 14.809 22.933 1.00 0.00 C ATOM 1964 NE2 HIS A 129 -5.274 14.321 23.459 1.00 0.00 N ATOM 0 H HIS A 129 -1.254 12.665 24.411 1.00 0.00 H new ATOM 0 HA HIS A 129 -1.811 12.203 27.238 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -3.437 13.929 27.039 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -2.009 14.462 26.173 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -5.701 13.372 25.384 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -4.084 15.261 21.956 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.189 14.308 23.008 1.00 0.00 H new ATOM 1973 N HIS A 130 -2.963 10.073 25.657 1.00 0.00 N ATOM 1974 CA HIS A 130 -3.931 9.001 25.478 1.00 0.00 C ATOM 1975 C HIS A 130 -3.368 7.686 26.014 1.00 0.00 C ATOM 1976 O HIS A 130 -3.661 6.610 25.496 1.00 0.00 O ATOM 1977 CB HIS A 130 -4.301 8.866 23.997 1.00 0.00 C ATOM 1978 CG HIS A 130 -5.696 8.361 23.776 1.00 0.00 C ATOM 1979 ND1 HIS A 130 -6.693 9.130 23.215 1.00 0.00 N ATOM 1980 CD2 HIS A 130 -6.261 7.162 24.047 1.00 0.00 C ATOM 1981 CE1 HIS A 130 -7.806 8.426 23.155 1.00 0.00 C ATOM 1982 NE2 HIS A 130 -7.573 7.226 23.653 1.00 0.00 N ATOM 0 H HIS A 130 -2.002 9.825 25.421 1.00 0.00 H new ATOM 0 HA HIS A 130 -4.834 9.243 26.039 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -4.193 9.837 23.513 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -3.596 8.189 23.514 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -6.586 10.093 22.896 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -5.769 6.310 24.492 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -8.751 8.773 22.764 1.00 0.00 H new ATOM 1991 N HIS A 131 -2.567 7.782 27.063 1.00 0.00 N ATOM 1992 CA HIS A 131 -1.969 6.606 27.678 1.00 0.00 C ATOM 1993 C HIS A 131 -2.601 6.340 29.038 1.00 0.00 C ATOM 1994 O HIS A 131 -2.267 6.993 30.026 1.00 0.00 O ATOM 1995 CB HIS A 131 -0.447 6.783 27.816 1.00 0.00 C ATOM 1996 CG HIS A 131 0.237 5.676 28.569 1.00 0.00 C ATOM 1997 ND1 HIS A 131 0.492 4.435 28.026 1.00 0.00 N ATOM 1998 CD2 HIS A 131 0.723 5.633 29.834 1.00 0.00 C ATOM 1999 CE1 HIS A 131 1.100 3.679 28.921 1.00 0.00 C ATOM 2000 NE2 HIS A 131 1.255 4.382 30.024 1.00 0.00 N ATOM 0 H HIS A 131 -2.315 8.664 27.508 1.00 0.00 H new ATOM 0 HA HIS A 131 -2.157 5.746 27.035 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -0.009 6.854 26.820 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -0.247 7.728 28.321 1.00 0.00 H new ATOM 0 HD2 HIS A 131 0.696 6.434 30.558 1.00 0.00 H new ATOM 0 HE1 HIS A 131 1.417 2.657 28.774 1.00 0.00 H new ATOM 0 HE2 HIS A 131 1.699 4.050 30.881 1.00 0.00 H new ATOM 2009 N HIS A 132 -3.528 5.399 29.075 1.00 0.00 N ATOM 2010 CA HIS A 132 -4.145 4.985 30.328 1.00 0.00 C ATOM 2011 C HIS A 132 -3.147 4.203 31.173 1.00 0.00 C ATOM 2012 O HIS A 132 -2.787 4.686 32.264 1.00 0.00 O ATOM 2013 CB HIS A 132 -5.421 4.159 30.079 1.00 0.00 C ATOM 2014 CG HIS A 132 -5.258 3.011 29.123 1.00 0.00 C ATOM 2015 ND1 HIS A 132 -5.457 3.137 27.765 1.00 0.00 N ATOM 2016 CD2 HIS A 132 -4.931 1.712 29.331 1.00 0.00 C ATOM 2017 CE1 HIS A 132 -5.259 1.971 27.181 1.00 0.00 C ATOM 2018 NE2 HIS A 132 -4.938 1.089 28.107 1.00 0.00 N ATOM 2019 OXT HIS A 132 -2.696 3.132 30.725 1.00 0.00 O ATOM 0 H HIS A 132 -3.872 4.905 28.252 1.00 0.00 H new ATOM 0 HA HIS A 132 -4.438 5.881 30.875 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -5.776 3.770 31.033 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -6.197 4.823 29.697 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -4.707 1.252 30.282 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -5.345 1.772 26.123 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -4.729 0.104 27.941 1.00 0.00 H new TER 2028 HIS A 132