USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=23 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 97 MET CE :methyl -125:sc= -0.018 (180deg=-2.17!) USER MOD Set 1.2: A 105 THR OG1 : rot 156:sc= 1.04 USER MOD Set 2.1: A 51 GLN : amide:sc= 0.76 K(o=1.3,f=-3.9) USER MOD Set 2.2: A 56 HIS : no HE2:sc= 0.565 K(o=1.3,f=-5.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.4 (180deg=0.577) USER MOD Single : A 4 ASN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.012) 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= 1.1 K(o=1.1,f=-3.7!) USER MOD Single : A 23 LYS NZ :NH3+ 143:sc= 0.501 (180deg=0.102) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 27 GLN : amide:sc= -0.0934 K(o=-0.093,f=-0.6) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.784 K(o=-0.78,f=-3.2!) USER MOD Single : A 32 SER OG : rot 148:sc= -0.617 USER MOD Single : A 36 MET CE :methyl 162:sc= -0.0945 (180deg=-0.506) USER MOD Single : A 43 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.048) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0976 USER MOD Single : A 53 GLN : amide:sc= -0.0039 K(o=-0.0039,f=-2.9!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0897 X(o=-0.09,f=-0.18) USER MOD Single : A 72 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 76 GLN :FLIP amide:sc= 0.23 F(o=-1.2!,f=0.23) USER MOD Single : A 77 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 80 SER OG : rot -159:sc= -0.322 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 87 CYS SG : rot 64:sc= -1.42! USER MOD Single : A 89 THR OG1 : rot -87:sc= 1.22 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.36 USER MOD Single : A 99 ASN : amide:sc= -0.634 K(o=-0.63,f=-5.6!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 107 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 111 SER OG : rot 67:sc= 1.25 USER MOD Single : A 120 MET CE :methyl -122:sc= -1.24 (180deg=-1.75) USER MOD Single : A 127 HIS :FLIP no HD1:sc= -1.34 F(o=-2.5!,f=-1.3) USER MOD Single : A 128 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.19) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.368 20.540 -14.968 1.00 0.00 N ATOM 2 CA MET A 1 28.267 19.835 -13.671 1.00 0.00 C ATOM 3 C MET A 1 28.053 18.347 -13.908 1.00 0.00 C ATOM 4 O MET A 1 27.576 17.951 -14.973 1.00 0.00 O ATOM 5 CB MET A 1 27.115 20.404 -12.826 1.00 0.00 C ATOM 6 CG MET A 1 25.722 20.021 -13.312 1.00 0.00 C ATOM 7 SD MET A 1 25.295 20.767 -14.898 1.00 0.00 S ATOM 8 CE MET A 1 23.649 20.106 -15.151 1.00 0.00 C ATOM 0 H1 MET A 1 28.941 21.400 -14.852 1.00 0.00 H new ATOM 0 H2 MET A 1 28.817 19.916 -15.668 1.00 0.00 H new ATOM 0 H3 MET A 1 27.416 20.800 -15.297 1.00 0.00 H new ATOM 0 HA MET A 1 29.198 19.984 -13.124 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.233 20.063 -11.798 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.195 21.491 -12.812 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.660 18.936 -13.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.988 20.324 -12.566 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.249 20.477 -16.094 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.695 19.017 -15.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.001 20.421 -14.333 1.00 0.00 H new ATOM 20 N PRO A 2 28.425 17.498 -12.938 1.00 0.00 N ATOM 21 CA PRO A 2 28.165 16.058 -13.016 1.00 0.00 C ATOM 22 C PRO A 2 26.669 15.758 -12.963 1.00 0.00 C ATOM 23 O PRO A 2 25.998 16.054 -11.972 1.00 0.00 O ATOM 24 CB PRO A 2 28.878 15.490 -11.784 1.00 0.00 C ATOM 25 CG PRO A 2 29.005 16.639 -10.844 1.00 0.00 C ATOM 26 CD PRO A 2 29.136 17.866 -11.701 1.00 0.00 C ATOM 0 HA PRO A 2 28.518 15.622 -13.951 1.00 0.00 H new ATOM 0 HB2 PRO A 2 28.306 14.677 -11.337 1.00 0.00 H new ATOM 0 HB3 PRO A 2 29.856 15.085 -12.046 1.00 0.00 H new ATOM 0 HG2 PRO A 2 28.133 16.709 -10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 2 29.875 16.520 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 2 28.688 18.738 -11.225 1.00 0.00 H new ATOM 0 HD3 PRO A 2 30.180 18.110 -11.896 1.00 0.00 H new ATOM 34 N LEU A 3 26.146 15.193 -14.042 1.00 0.00 N ATOM 35 CA LEU A 3 24.727 14.890 -14.135 1.00 0.00 C ATOM 36 C LEU A 3 24.361 13.701 -13.249 1.00 0.00 C ATOM 37 O LEU A 3 24.490 12.543 -13.651 1.00 0.00 O ATOM 38 CB LEU A 3 24.328 14.612 -15.590 1.00 0.00 C ATOM 39 CG LEU A 3 22.837 14.351 -15.821 1.00 0.00 C ATOM 40 CD1 LEU A 3 22.012 15.573 -15.443 1.00 0.00 C ATOM 41 CD2 LEU A 3 22.585 13.963 -17.271 1.00 0.00 C ATOM 0 H LEU A 3 26.686 14.935 -14.868 1.00 0.00 H new ATOM 0 HA LEU A 3 24.175 15.761 -13.782 1.00 0.00 H new ATOM 0 HB2 LEU A 3 24.630 15.462 -16.201 1.00 0.00 H new ATOM 0 HB3 LEU A 3 24.890 13.749 -15.945 1.00 0.00 H new ATOM 0 HG LEU A 3 22.530 13.523 -15.183 1.00 0.00 H new ATOM 0 HD11 LEU A 3 20.956 15.366 -15.615 1.00 0.00 H new ATOM 0 HD12 LEU A 3 22.169 15.807 -14.390 1.00 0.00 H new ATOM 0 HD13 LEU A 3 22.319 16.422 -16.053 1.00 0.00 H new ATOM 0 HD21 LEU A 3 21.521 13.781 -17.419 1.00 0.00 H new ATOM 0 HD22 LEU A 3 22.909 14.772 -17.926 1.00 0.00 H new ATOM 0 HD23 LEU A 3 23.144 13.058 -17.508 1.00 0.00 H new ATOM 53 N ASN A 4 23.933 13.999 -12.032 1.00 0.00 N ATOM 54 CA ASN A 4 23.483 12.972 -11.105 1.00 0.00 C ATOM 55 C ASN A 4 22.133 13.360 -10.518 1.00 0.00 C ATOM 56 O ASN A 4 22.048 14.233 -9.652 1.00 0.00 O ATOM 57 CB ASN A 4 24.511 12.756 -9.989 1.00 0.00 C ATOM 58 CG ASN A 4 24.094 11.671 -9.011 1.00 0.00 C ATOM 59 OD1 ASN A 4 24.349 10.488 -9.232 1.00 0.00 O ATOM 60 ND2 ASN A 4 23.465 12.066 -7.916 1.00 0.00 N ATOM 0 H ASN A 4 23.888 14.948 -11.662 1.00 0.00 H new ATOM 0 HA ASN A 4 23.376 12.034 -11.650 1.00 0.00 H new ATOM 0 HB2 ASN A 4 25.471 12.491 -10.431 1.00 0.00 H new ATOM 0 HB3 ASN A 4 24.656 13.691 -9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 4 23.174 11.380 -7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 4 23.271 13.057 -7.768 1.00 0.00 H new ATOM 67 N GLN A 5 21.086 12.722 -11.022 1.00 0.00 N ATOM 68 CA GLN A 5 19.715 13.002 -10.610 1.00 0.00 C ATOM 69 C GLN A 5 18.803 11.974 -11.273 1.00 0.00 C ATOM 70 O GLN A 5 19.297 11.027 -11.888 1.00 0.00 O ATOM 71 CB GLN A 5 19.313 14.421 -11.042 1.00 0.00 C ATOM 72 CG GLN A 5 18.101 14.977 -10.308 1.00 0.00 C ATOM 73 CD GLN A 5 17.563 16.245 -10.940 1.00 0.00 C ATOM 74 OE1 GLN A 5 18.303 17.018 -11.547 1.00 0.00 O ATOM 75 NE2 GLN A 5 16.266 16.464 -10.804 1.00 0.00 N ATOM 0 H GLN A 5 21.162 11.993 -11.731 1.00 0.00 H new ATOM 0 HA GLN A 5 19.627 12.939 -9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 5 20.159 15.090 -10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 5 19.106 14.418 -12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.314 14.223 -10.291 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.371 15.179 -9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.687 15.798 -10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.844 17.299 -11.210 1.00 0.00 H new ATOM 84 N GLU A 6 17.490 12.142 -11.135 1.00 0.00 N ATOM 85 CA GLU A 6 16.531 11.334 -11.880 1.00 0.00 C ATOM 86 C GLU A 6 16.769 11.511 -13.376 1.00 0.00 C ATOM 87 O GLU A 6 16.342 12.498 -13.970 1.00 0.00 O ATOM 88 CB GLU A 6 15.081 11.716 -11.541 1.00 0.00 C ATOM 89 CG GLU A 6 14.707 11.567 -10.071 1.00 0.00 C ATOM 90 CD GLU A 6 15.156 12.739 -9.221 1.00 0.00 C ATOM 91 OE1 GLU A 6 16.317 12.743 -8.767 1.00 0.00 O ATOM 92 OE2 GLU A 6 14.345 13.663 -8.999 1.00 0.00 O ATOM 0 H GLU A 6 17.067 12.831 -10.513 1.00 0.00 H new ATOM 0 HA GLU A 6 16.678 10.292 -11.597 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.913 12.750 -11.841 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.409 11.098 -12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.626 11.458 -9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.151 10.651 -9.680 1.00 0.00 H new ATOM 99 N HIS A 7 17.474 10.557 -13.966 1.00 0.00 N ATOM 100 CA HIS A 7 17.883 10.650 -15.363 1.00 0.00 C ATOM 101 C HIS A 7 16.683 10.599 -16.319 1.00 0.00 C ATOM 102 O HIS A 7 16.551 11.475 -17.173 1.00 0.00 O ATOM 103 CB HIS A 7 18.894 9.546 -15.696 1.00 0.00 C ATOM 104 CG HIS A 7 19.550 9.709 -17.032 1.00 0.00 C ATOM 105 ND1 HIS A 7 19.239 8.932 -18.123 1.00 0.00 N ATOM 106 CD2 HIS A 7 20.524 10.553 -17.443 1.00 0.00 C ATOM 107 CE1 HIS A 7 19.992 9.288 -19.143 1.00 0.00 C ATOM 108 NE2 HIS A 7 20.785 10.270 -18.761 1.00 0.00 N ATOM 0 H HIS A 7 17.777 9.704 -13.497 1.00 0.00 H new ATOM 0 HA HIS A 7 18.361 11.619 -15.503 1.00 0.00 H new ATOM 0 HB2 HIS A 7 19.663 9.526 -14.924 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.387 8.581 -15.666 1.00 0.00 H new ATOM 0 HD2 HIS A 7 21.008 11.311 -16.844 1.00 0.00 H new ATOM 0 HE1 HIS A 7 19.965 8.848 -20.129 1.00 0.00 H new ATOM 0 HE2 HIS A 7 21.476 10.740 -19.346 1.00 0.00 H new ATOM 117 N PRO A 8 15.797 9.581 -16.218 1.00 0.00 N ATOM 118 CA PRO A 8 14.625 9.487 -17.096 1.00 0.00 C ATOM 119 C PRO A 8 13.675 10.670 -16.920 1.00 0.00 C ATOM 120 O PRO A 8 13.437 11.431 -17.860 1.00 0.00 O ATOM 121 CB PRO A 8 13.941 8.181 -16.671 1.00 0.00 C ATOM 122 CG PRO A 8 14.987 7.416 -15.935 1.00 0.00 C ATOM 123 CD PRO A 8 15.860 8.445 -15.279 1.00 0.00 C ATOM 0 HA PRO A 8 14.911 9.500 -18.148 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.077 8.377 -16.037 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.582 7.625 -17.537 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.539 6.754 -15.194 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.564 6.789 -16.615 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.490 8.717 -14.291 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.881 8.085 -15.149 1.00 0.00 H new ATOM 131 N ASP A 9 13.150 10.828 -15.710 1.00 0.00 N ATOM 132 CA ASP A 9 12.213 11.907 -15.416 1.00 0.00 C ATOM 133 C ASP A 9 12.013 12.024 -13.908 1.00 0.00 C ATOM 134 O ASP A 9 11.967 11.013 -13.206 1.00 0.00 O ATOM 135 CB ASP A 9 10.868 11.634 -16.094 1.00 0.00 C ATOM 136 CG ASP A 9 10.139 12.901 -16.488 1.00 0.00 C ATOM 137 OD1 ASP A 9 9.557 13.562 -15.610 1.00 0.00 O ATOM 138 OD2 ASP A 9 10.139 13.235 -17.692 1.00 0.00 O ATOM 0 H ASP A 9 13.357 10.222 -14.916 1.00 0.00 H new ATOM 0 HA ASP A 9 12.622 12.842 -15.798 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.032 11.024 -16.982 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.238 11.053 -15.420 1.00 0.00 H new ATOM 143 N TYR A 10 11.905 13.245 -13.409 1.00 0.00 N ATOM 144 CA TYR A 10 11.669 13.461 -11.988 1.00 0.00 C ATOM 145 C TYR A 10 10.179 13.357 -11.679 1.00 0.00 C ATOM 146 O TYR A 10 9.340 13.832 -12.445 1.00 0.00 O ATOM 147 CB TYR A 10 12.234 14.815 -11.532 1.00 0.00 C ATOM 148 CG TYR A 10 11.954 15.961 -12.479 1.00 0.00 C ATOM 149 CD1 TYR A 10 10.765 16.677 -12.411 1.00 0.00 C ATOM 150 CD2 TYR A 10 12.889 16.329 -13.439 1.00 0.00 C ATOM 151 CE1 TYR A 10 10.515 17.726 -13.276 1.00 0.00 C ATOM 152 CE2 TYR A 10 12.646 17.375 -14.305 1.00 0.00 C ATOM 153 CZ TYR A 10 11.460 18.070 -14.220 1.00 0.00 C ATOM 154 OH TYR A 10 11.221 19.113 -15.084 1.00 0.00 O ATOM 0 H TYR A 10 11.976 14.099 -13.963 1.00 0.00 H new ATOM 0 HA TYR A 10 12.192 12.683 -11.431 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.818 15.058 -10.554 1.00 0.00 H new ATOM 0 HB3 TYR A 10 13.312 14.720 -11.405 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.025 16.410 -11.671 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.821 15.787 -13.508 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.586 18.273 -13.213 1.00 0.00 H new ATOM 0 HE2 TYR A 10 13.383 17.648 -15.046 1.00 0.00 H new ATOM 0 HH TYR A 10 11.988 19.223 -15.684 1.00 0.00 H new ATOM 164 N THR A 11 9.852 12.723 -10.565 1.00 0.00 N ATOM 165 CA THR A 11 8.466 12.448 -10.231 1.00 0.00 C ATOM 166 C THR A 11 8.040 13.177 -8.955 1.00 0.00 C ATOM 167 O THR A 11 8.770 13.200 -7.966 1.00 0.00 O ATOM 168 CB THR A 11 8.248 10.932 -10.069 1.00 0.00 C ATOM 169 OG1 THR A 11 8.875 10.243 -11.160 1.00 0.00 O ATOM 170 CG2 THR A 11 6.767 10.590 -10.044 1.00 0.00 C ATOM 0 H THR A 11 10.528 12.390 -9.877 1.00 0.00 H new ATOM 0 HA THR A 11 7.848 12.816 -11.050 1.00 0.00 H new ATOM 0 HB THR A 11 8.689 10.621 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.739 9.278 -11.059 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.644 9.513 -9.929 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.290 11.101 -9.208 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.304 10.910 -10.977 1.00 0.00 H new ATOM 178 N TYR A 12 6.854 13.781 -8.998 1.00 0.00 N ATOM 179 CA TYR A 12 6.302 14.506 -7.854 1.00 0.00 C ATOM 180 C TYR A 12 5.762 13.549 -6.793 1.00 0.00 C ATOM 181 O TYR A 12 5.428 13.966 -5.681 1.00 0.00 O ATOM 182 CB TYR A 12 5.179 15.448 -8.312 1.00 0.00 C ATOM 183 CG TYR A 12 4.015 14.745 -8.991 1.00 0.00 C ATOM 184 CD1 TYR A 12 2.996 14.152 -8.247 1.00 0.00 C ATOM 185 CD2 TYR A 12 3.934 14.676 -10.375 1.00 0.00 C ATOM 186 CE1 TYR A 12 1.939 13.512 -8.866 1.00 0.00 C ATOM 187 CE2 TYR A 12 2.880 14.039 -10.999 1.00 0.00 C ATOM 188 CZ TYR A 12 1.886 13.459 -10.241 1.00 0.00 C ATOM 189 OH TYR A 12 0.834 12.821 -10.862 1.00 0.00 O ATOM 0 H TYR A 12 6.251 13.782 -9.821 1.00 0.00 H new ATOM 0 HA TYR A 12 7.111 15.088 -7.413 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.804 15.995 -7.447 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.595 16.184 -8.999 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.033 14.193 -7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.710 15.129 -10.975 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.159 13.056 -8.275 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.835 13.995 -12.077 1.00 0.00 H new ATOM 0 HH TYR A 12 0.947 12.875 -11.834 1.00 0.00 H new ATOM 199 N ALA A 13 5.665 12.276 -7.147 1.00 0.00 N ATOM 200 CA ALA A 13 5.074 11.279 -6.268 1.00 0.00 C ATOM 201 C ALA A 13 5.985 10.972 -5.088 1.00 0.00 C ATOM 202 O ALA A 13 7.045 10.373 -5.255 1.00 0.00 O ATOM 203 CB ALA A 13 4.758 10.007 -7.041 1.00 0.00 C ATOM 0 H ALA A 13 5.990 11.908 -8.041 1.00 0.00 H new ATOM 0 HA ALA A 13 4.144 11.690 -5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.317 9.272 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.055 10.233 -7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.676 9.603 -7.467 1.00 0.00 H new ATOM 209 N LEU A 14 5.556 11.411 -3.908 1.00 0.00 N ATOM 210 CA LEU A 14 6.259 11.147 -2.655 1.00 0.00 C ATOM 211 C LEU A 14 7.653 11.775 -2.652 1.00 0.00 C ATOM 212 O LEU A 14 8.659 11.106 -2.883 1.00 0.00 O ATOM 213 CB LEU A 14 6.347 9.639 -2.388 1.00 0.00 C ATOM 214 CG LEU A 14 6.845 9.251 -0.996 1.00 0.00 C ATOM 215 CD1 LEU A 14 5.857 9.705 0.068 1.00 0.00 C ATOM 216 CD2 LEU A 14 7.071 7.751 -0.914 1.00 0.00 C ATOM 0 H LEU A 14 4.706 11.963 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 14 5.684 11.608 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.360 9.202 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.009 9.193 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 14 7.796 9.752 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.227 9.421 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.744 10.788 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.891 9.232 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.425 7.490 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.134 7.230 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.816 7.454 -1.653 1.00 0.00 H new ATOM 228 N ARG A 15 7.699 13.074 -2.397 1.00 0.00 N ATOM 229 CA ARG A 15 8.961 13.794 -2.334 1.00 0.00 C ATOM 230 C ARG A 15 9.507 13.759 -0.910 1.00 0.00 C ATOM 231 O ARG A 15 10.715 13.841 -0.686 1.00 0.00 O ATOM 232 CB ARG A 15 8.768 15.239 -2.802 1.00 0.00 C ATOM 233 CG ARG A 15 10.064 16.025 -2.909 1.00 0.00 C ATOM 234 CD ARG A 15 9.824 17.423 -3.453 1.00 0.00 C ATOM 235 NE ARG A 15 11.071 18.171 -3.593 1.00 0.00 N ATOM 236 CZ ARG A 15 11.219 19.246 -4.364 1.00 0.00 C ATOM 237 NH1 ARG A 15 10.188 19.739 -5.042 1.00 0.00 N ATOM 238 NH2 ARG A 15 12.402 19.836 -4.450 1.00 0.00 N ATOM 0 H ARG A 15 6.875 13.652 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 15 9.681 13.312 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.275 15.234 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.100 15.750 -2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.533 16.091 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.760 15.495 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.329 17.356 -4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.150 17.962 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 15 11.882 17.848 -3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.273 19.293 -4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.312 20.563 -5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.196 19.466 -3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.519 20.660 -5.040 1.00 0.00 H new ATOM 252 N ALA A 16 8.599 13.623 0.045 1.00 0.00 N ATOM 253 CA ALA A 16 8.957 13.526 1.451 1.00 0.00 C ATOM 254 C ALA A 16 8.148 12.412 2.100 1.00 0.00 C ATOM 255 O ALA A 16 6.942 12.311 1.866 1.00 0.00 O ATOM 256 CB ALA A 16 8.707 14.852 2.152 1.00 0.00 C ATOM 0 H ALA A 16 7.596 13.577 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 16 10.018 13.293 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.979 14.765 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.310 15.630 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.652 15.113 2.071 1.00 0.00 H new ATOM 262 N ALA A 17 8.802 11.585 2.909 1.00 0.00 N ATOM 263 CA ALA A 17 8.161 10.390 3.445 1.00 0.00 C ATOM 264 C ALA A 17 8.515 10.155 4.910 1.00 0.00 C ATOM 265 O ALA A 17 9.680 9.955 5.258 1.00 0.00 O ATOM 266 CB ALA A 17 8.545 9.174 2.615 1.00 0.00 C ATOM 0 H ALA A 17 9.769 11.719 3.206 1.00 0.00 H new ATOM 0 HA ALA A 17 7.084 10.546 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.061 8.287 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.223 9.321 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.627 9.042 2.642 1.00 0.00 H new ATOM 272 N ASP A 18 7.494 10.192 5.753 1.00 0.00 N ATOM 273 CA ASP A 18 7.610 9.838 7.163 1.00 0.00 C ATOM 274 C ASP A 18 6.367 9.063 7.569 1.00 0.00 C ATOM 275 O ASP A 18 5.429 8.939 6.783 1.00 0.00 O ATOM 276 CB ASP A 18 7.731 11.080 8.059 1.00 0.00 C ATOM 277 CG ASP A 18 9.020 11.852 7.866 1.00 0.00 C ATOM 278 OD1 ASP A 18 10.053 11.448 8.442 1.00 0.00 O ATOM 279 OD2 ASP A 18 8.997 12.884 7.158 1.00 0.00 O ATOM 0 H ASP A 18 6.553 10.471 5.477 1.00 0.00 H new ATOM 0 HA ASP A 18 8.513 9.241 7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.889 11.743 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.656 10.772 9.102 1.00 0.00 H new ATOM 284 N GLY A 19 6.348 8.554 8.788 1.00 0.00 N ATOM 285 CA GLY A 19 5.168 7.871 9.280 1.00 0.00 C ATOM 286 C GLY A 19 4.095 8.837 9.735 1.00 0.00 C ATOM 287 O GLY A 19 2.956 8.447 9.978 1.00 0.00 O ATOM 0 H GLY A 19 7.125 8.600 9.447 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.768 7.230 8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.446 7.222 10.111 1.00 0.00 H new ATOM 291 N ARG A 20 4.467 10.103 9.848 1.00 0.00 N ATOM 292 CA ARG A 20 3.545 11.150 10.272 1.00 0.00 C ATOM 293 C ARG A 20 3.683 12.367 9.367 1.00 0.00 C ATOM 294 O ARG A 20 3.319 13.482 9.737 1.00 0.00 O ATOM 295 CB ARG A 20 3.828 11.540 11.724 1.00 0.00 C ATOM 296 CG ARG A 20 5.286 11.882 11.979 1.00 0.00 C ATOM 297 CD ARG A 20 5.521 12.298 13.419 1.00 0.00 C ATOM 298 NE ARG A 20 6.945 12.384 13.730 1.00 0.00 N ATOM 299 CZ ARG A 20 7.489 13.338 14.482 1.00 0.00 C ATOM 300 NH1 ARG A 20 6.737 14.316 14.971 1.00 0.00 N ATOM 301 NH2 ARG A 20 8.790 13.322 14.738 1.00 0.00 N ATOM 0 H ARG A 20 5.411 10.434 9.650 1.00 0.00 H new ATOM 0 HA ARG A 20 2.525 10.773 10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.209 12.396 11.991 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.535 10.719 12.378 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.909 11.019 11.743 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.593 12.688 11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.050 13.264 13.600 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.045 11.581 14.088 1.00 0.00 H new ATOM 0 HE ARG A 20 7.562 11.668 13.347 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.737 14.339 14.771 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.159 15.045 15.547 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.375 12.578 14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.205 14.054 15.314 1.00 0.00 H new ATOM 315 N HIS A 21 4.196 12.136 8.168 1.00 0.00 N ATOM 316 CA HIS A 21 4.478 13.210 7.230 1.00 0.00 C ATOM 317 C HIS A 21 4.657 12.642 5.831 1.00 0.00 C ATOM 318 O HIS A 21 5.193 11.554 5.660 1.00 0.00 O ATOM 319 CB HIS A 21 5.741 13.959 7.670 1.00 0.00 C ATOM 320 CG HIS A 21 6.237 14.994 6.708 1.00 0.00 C ATOM 321 ND1 HIS A 21 7.485 14.930 6.129 1.00 0.00 N ATOM 322 CD2 HIS A 21 5.663 16.126 6.236 1.00 0.00 C ATOM 323 CE1 HIS A 21 7.658 15.974 5.346 1.00 0.00 C ATOM 324 NE2 HIS A 21 6.568 16.718 5.390 1.00 0.00 N ATOM 0 H HIS A 21 4.427 11.205 7.820 1.00 0.00 H new ATOM 0 HA HIS A 21 3.641 13.908 7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.543 14.441 8.627 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.535 13.232 7.838 1.00 0.00 H new ATOM 0 HD1 HIS A 21 8.169 14.189 6.283 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.677 16.494 6.480 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.543 16.186 4.765 1.00 0.00 H new ATOM 333 N ALA A 22 4.199 13.385 4.848 1.00 0.00 N ATOM 334 CA ALA A 22 4.322 12.992 3.452 1.00 0.00 C ATOM 335 C ALA A 22 3.977 14.168 2.557 1.00 0.00 C ATOM 336 O ALA A 22 3.097 14.956 2.887 1.00 0.00 O ATOM 337 CB ALA A 22 3.416 11.807 3.140 1.00 0.00 C ATOM 0 H ALA A 22 3.730 14.280 4.988 1.00 0.00 H new ATOM 0 HA ALA A 22 5.352 12.688 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.525 11.532 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.694 10.961 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.379 12.080 3.337 1.00 0.00 H new ATOM 343 N LYS A 23 4.675 14.304 1.445 1.00 0.00 N ATOM 344 CA LYS A 23 4.384 15.373 0.503 1.00 0.00 C ATOM 345 C LYS A 23 4.408 14.847 -0.924 1.00 0.00 C ATOM 346 O LYS A 23 5.439 14.374 -1.404 1.00 0.00 O ATOM 347 CB LYS A 23 5.374 16.535 0.650 1.00 0.00 C ATOM 348 CG LYS A 23 5.133 17.664 -0.348 1.00 0.00 C ATOM 349 CD LYS A 23 6.155 18.782 -0.205 1.00 0.00 C ATOM 350 CE LYS A 23 5.938 19.598 1.061 1.00 0.00 C ATOM 351 NZ LYS A 23 4.709 20.437 0.990 1.00 0.00 N ATOM 0 H LYS A 23 5.444 13.692 1.171 1.00 0.00 H new ATOM 0 HA LYS A 23 3.386 15.748 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.307 16.934 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.388 16.157 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.172 17.266 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.131 18.068 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.158 18.356 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.097 19.439 -1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.867 18.926 1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.803 20.239 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.252 20.463 1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.964 21.403 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.051 20.031 0.294 1.00 0.00 H new ATOM 365 N VAL A 24 3.265 14.918 -1.584 1.00 0.00 N ATOM 366 CA VAL A 24 3.166 14.567 -2.988 1.00 0.00 C ATOM 367 C VAL A 24 2.976 15.839 -3.799 1.00 0.00 C ATOM 368 O VAL A 24 1.945 16.501 -3.683 1.00 0.00 O ATOM 369 CB VAL A 24 1.998 13.593 -3.261 1.00 0.00 C ATOM 370 CG1 VAL A 24 1.920 13.242 -4.740 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.145 12.331 -2.422 1.00 0.00 C ATOM 0 H VAL A 24 2.385 15.219 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 24 4.086 14.060 -3.280 1.00 0.00 H new ATOM 0 HB VAL A 24 1.070 14.090 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.090 12.555 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.763 14.150 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.851 12.769 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.313 11.658 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.083 11.835 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.144 12.595 -1.364 1.00 0.00 H new ATOM 381 N ASN A 25 3.987 16.175 -4.596 1.00 0.00 N ATOM 382 CA ASN A 25 4.027 17.438 -5.338 1.00 0.00 C ATOM 383 C ASN A 25 4.068 18.620 -4.367 1.00 0.00 C ATOM 384 O ASN A 25 5.141 19.118 -4.027 1.00 0.00 O ATOM 385 CB ASN A 25 2.830 17.566 -6.290 1.00 0.00 C ATOM 386 CG ASN A 25 2.908 18.801 -7.171 1.00 0.00 C ATOM 387 OD1 ASN A 25 3.986 19.208 -7.606 1.00 0.00 O ATOM 388 ND2 ASN A 25 1.763 19.416 -7.422 1.00 0.00 N ATOM 0 H ASN A 25 4.803 15.582 -4.748 1.00 0.00 H new ATOM 0 HA ASN A 25 4.934 17.445 -5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.776 16.678 -6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.910 17.599 -5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.752 20.260 -7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.892 19.046 -7.042 1.00 0.00 H new ATOM 395 N GLU A 26 2.900 19.045 -3.902 1.00 0.00 N ATOM 396 CA GLU A 26 2.805 20.136 -2.940 1.00 0.00 C ATOM 397 C GLU A 26 2.057 19.685 -1.690 1.00 0.00 C ATOM 398 O GLU A 26 2.321 20.164 -0.586 1.00 0.00 O ATOM 399 CB GLU A 26 2.072 21.330 -3.559 1.00 0.00 C ATOM 400 CG GLU A 26 2.757 21.912 -4.782 1.00 0.00 C ATOM 401 CD GLU A 26 1.887 22.924 -5.497 1.00 0.00 C ATOM 402 OE1 GLU A 26 1.105 22.519 -6.381 1.00 0.00 O ATOM 403 OE2 GLU A 26 1.978 24.130 -5.184 1.00 0.00 O ATOM 0 H GLU A 26 2.001 18.649 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 26 3.818 20.433 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.063 21.021 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.972 22.111 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.691 22.386 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.015 21.107 -5.470 1.00 0.00 H new ATOM 410 N GLN A 27 1.150 18.735 -1.874 1.00 0.00 N ATOM 411 CA GLN A 27 0.202 18.356 -0.836 1.00 0.00 C ATOM 412 C GLN A 27 0.834 17.485 0.241 1.00 0.00 C ATOM 413 O GLN A 27 1.434 16.447 -0.048 1.00 0.00 O ATOM 414 CB GLN A 27 -0.986 17.630 -1.465 1.00 0.00 C ATOM 415 CG GLN A 27 -1.752 18.498 -2.447 1.00 0.00 C ATOM 416 CD GLN A 27 -2.368 19.708 -1.780 1.00 0.00 C ATOM 417 OE1 GLN A 27 -2.776 19.650 -0.618 1.00 0.00 O ATOM 418 NE2 GLN A 27 -2.409 20.821 -2.493 1.00 0.00 N ATOM 0 H GLN A 27 1.051 18.208 -2.742 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.134 19.272 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.630 16.736 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.662 17.298 -0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.080 18.825 -3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.537 17.906 -2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.061 20.826 -3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.789 21.675 -2.084 1.00 0.00 H new ATOM 427 N ILE A 28 0.704 17.928 1.483 1.00 0.00 N ATOM 428 CA ILE A 28 1.120 17.138 2.626 1.00 0.00 C ATOM 429 C ILE A 28 -0.005 16.204 3.043 1.00 0.00 C ATOM 430 O ILE A 28 -1.043 16.641 3.545 1.00 0.00 O ATOM 431 CB ILE A 28 1.523 18.023 3.827 1.00 0.00 C ATOM 432 CG1 ILE A 28 2.710 18.913 3.456 1.00 0.00 C ATOM 433 CG2 ILE A 28 1.859 17.162 5.041 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.172 19.812 4.583 1.00 0.00 C ATOM 0 H ILE A 28 0.310 18.838 1.723 1.00 0.00 H new ATOM 0 HA ILE A 28 1.996 16.563 2.325 1.00 0.00 H new ATOM 0 HB ILE A 28 0.678 18.661 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.542 18.282 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.437 19.530 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.140 17.804 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.988 16.568 5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.689 16.498 4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.016 20.413 4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.355 20.469 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.477 19.202 5.433 1.00 0.00 H new ATOM 446 N LEU A 29 0.199 14.920 2.819 1.00 0.00 N ATOM 447 CA LEU A 29 -0.804 13.925 3.141 1.00 0.00 C ATOM 448 C LEU A 29 -0.603 13.422 4.562 1.00 0.00 C ATOM 449 O LEU A 29 0.484 12.977 4.928 1.00 0.00 O ATOM 450 CB LEU A 29 -0.747 12.775 2.134 1.00 0.00 C ATOM 451 CG LEU A 29 -0.998 13.189 0.681 1.00 0.00 C ATOM 452 CD1 LEU A 29 -0.854 11.999 -0.250 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.377 13.816 0.532 1.00 0.00 C ATOM 0 H LEU A 29 1.055 14.541 2.413 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.793 14.379 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.232 12.300 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.485 12.024 2.417 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.249 13.932 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.037 12.316 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.155 11.594 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.577 11.231 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.536 14.103 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.139 13.095 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.446 14.699 1.167 1.00 0.00 H new ATOM 465 N GLN A 30 -1.653 13.521 5.359 1.00 0.00 N ATOM 466 CA GLN A 30 -1.599 13.148 6.765 1.00 0.00 C ATOM 467 C GLN A 30 -2.565 12.003 7.033 1.00 0.00 C ATOM 468 O GLN A 30 -2.903 11.710 8.177 1.00 0.00 O ATOM 469 CB GLN A 30 -1.973 14.350 7.634 1.00 0.00 C ATOM 470 CG GLN A 30 -1.124 15.583 7.367 1.00 0.00 C ATOM 471 CD GLN A 30 -1.718 16.839 7.972 1.00 0.00 C ATOM 472 OE1 GLN A 30 -1.426 17.200 9.111 1.00 0.00 O ATOM 473 NE2 GLN A 30 -2.569 17.512 7.212 1.00 0.00 N ATOM 0 H GLN A 30 -2.565 13.861 5.053 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.586 12.828 7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.021 14.597 7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.876 14.073 8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.124 15.426 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.014 15.719 6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.786 17.180 6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.008 18.362 7.567 1.00 0.00 H new ATOM 482 N GLN A 31 -3.008 11.368 5.960 1.00 0.00 N ATOM 483 CA GLN A 31 -4.026 10.333 6.042 1.00 0.00 C ATOM 484 C GLN A 31 -3.493 9.025 5.474 1.00 0.00 C ATOM 485 O GLN A 31 -2.346 8.952 5.030 1.00 0.00 O ATOM 486 CB GLN A 31 -5.285 10.747 5.260 1.00 0.00 C ATOM 487 CG GLN A 31 -5.914 12.069 5.698 1.00 0.00 C ATOM 488 CD GLN A 31 -5.121 13.291 5.258 1.00 0.00 C ATOM 489 OE1 GLN A 31 -4.449 13.281 4.227 1.00 0.00 O ATOM 490 NE2 GLN A 31 -5.192 14.355 6.042 1.00 0.00 N ATOM 0 H GLN A 31 -2.675 11.554 5.014 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.286 10.197 7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.031 10.816 4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.030 9.958 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.923 12.135 5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.006 12.077 6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.759 14.327 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.679 15.203 5.799 1.00 0.00 H new ATOM 499 N SER A 32 -4.322 7.994 5.497 1.00 0.00 N ATOM 500 CA SER A 32 -3.991 6.735 4.857 1.00 0.00 C ATOM 501 C SER A 32 -4.333 6.825 3.374 1.00 0.00 C ATOM 502 O SER A 32 -5.502 6.748 2.995 1.00 0.00 O ATOM 503 CB SER A 32 -4.768 5.591 5.511 1.00 0.00 C ATOM 504 OG SER A 32 -4.618 5.616 6.922 1.00 0.00 O ATOM 0 H SER A 32 -5.233 8.007 5.955 1.00 0.00 H new ATOM 0 HA SER A 32 -2.925 6.536 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.824 5.669 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.414 4.637 5.121 1.00 0.00 H new ATOM 0 HG SER A 32 -5.434 5.274 7.344 1.00 0.00 H new ATOM 510 N PHE A 33 -3.324 7.020 2.538 1.00 0.00 N ATOM 511 CA PHE A 33 -3.569 7.253 1.125 1.00 0.00 C ATOM 512 C PHE A 33 -3.055 6.110 0.264 1.00 0.00 C ATOM 513 O PHE A 33 -2.033 5.490 0.562 1.00 0.00 O ATOM 514 CB PHE A 33 -2.949 8.582 0.673 1.00 0.00 C ATOM 515 CG PHE A 33 -1.448 8.645 0.757 1.00 0.00 C ATOM 516 CD1 PHE A 33 -0.821 9.053 1.922 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.665 8.313 -0.339 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.556 9.128 1.993 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.712 8.383 -0.272 1.00 0.00 C ATOM 520 CZ PHE A 33 1.323 8.793 0.895 1.00 0.00 C ATOM 0 H PHE A 33 -2.341 7.022 2.810 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.650 7.308 0.992 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.248 8.773 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.366 9.385 1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.415 9.315 2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.139 7.996 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.033 9.449 2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.310 8.117 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.400 8.852 0.950 1.00 0.00 H new ATOM 530 N ILE A 34 -3.789 5.835 -0.800 1.00 0.00 N ATOM 531 CA ILE A 34 -3.392 4.840 -1.777 1.00 0.00 C ATOM 532 C ILE A 34 -2.747 5.531 -2.971 1.00 0.00 C ATOM 533 O ILE A 34 -3.423 6.223 -3.738 1.00 0.00 O ATOM 534 CB ILE A 34 -4.603 4.014 -2.263 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.373 3.440 -1.071 1.00 0.00 C ATOM 536 CG2 ILE A 34 -4.141 2.894 -3.189 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.674 2.768 -1.455 1.00 0.00 C ATOM 0 H ILE A 34 -4.675 6.295 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.682 4.163 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.271 4.671 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.740 2.719 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.583 4.243 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.005 2.320 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.633 3.322 -4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.455 2.238 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.164 2.386 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.326 3.491 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.470 1.943 -2.137 1.00 0.00 H new ATOM 549 N LEU A 35 -1.442 5.370 -3.112 1.00 0.00 N ATOM 550 CA LEU A 35 -0.716 5.987 -4.207 1.00 0.00 C ATOM 551 C LEU A 35 -0.349 4.952 -5.258 1.00 0.00 C ATOM 552 O LEU A 35 0.431 4.032 -5.003 1.00 0.00 O ATOM 553 CB LEU A 35 0.550 6.685 -3.696 1.00 0.00 C ATOM 554 CG LEU A 35 1.397 7.372 -4.776 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.628 8.510 -5.431 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.699 7.884 -4.178 1.00 0.00 C ATOM 0 H LEU A 35 -0.864 4.816 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.367 6.734 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.261 7.430 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.170 5.949 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 35 1.630 6.636 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.251 8.979 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.277 8.118 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.359 9.249 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.290 8.369 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.479 8.602 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.262 7.048 -3.762 1.00 0.00 H new ATOM 568 N MET A 36 -0.941 5.088 -6.428 1.00 0.00 N ATOM 569 CA MET A 36 -0.587 4.268 -7.569 1.00 0.00 C ATOM 570 C MET A 36 -0.171 5.190 -8.703 1.00 0.00 C ATOM 571 O MET A 36 -0.676 6.308 -8.788 1.00 0.00 O ATOM 572 CB MET A 36 -1.764 3.375 -7.987 1.00 0.00 C ATOM 573 CG MET A 36 -2.155 2.354 -6.927 1.00 0.00 C ATOM 574 SD MET A 36 -3.531 1.298 -7.430 1.00 0.00 S ATOM 575 CE MET A 36 -2.814 0.431 -8.824 1.00 0.00 C ATOM 0 H MET A 36 -1.678 5.768 -6.614 1.00 0.00 H new ATOM 0 HA MET A 36 0.239 3.606 -7.310 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.626 4.004 -8.211 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.504 2.851 -8.907 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.292 1.730 -6.697 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.424 2.877 -6.009 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.401 -0.462 -9.038 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.813 1.084 -9.697 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.790 0.143 -8.586 1.00 0.00 H new ATOM 585 N PRO A 37 0.781 4.767 -9.551 1.00 0.00 N ATOM 586 CA PRO A 37 1.301 5.596 -10.653 1.00 0.00 C ATOM 587 C PRO A 37 0.237 5.998 -11.684 1.00 0.00 C ATOM 588 O PRO A 37 0.222 5.478 -12.801 1.00 0.00 O ATOM 589 CB PRO A 37 2.365 4.705 -11.305 1.00 0.00 C ATOM 590 CG PRO A 37 2.719 3.699 -10.264 1.00 0.00 C ATOM 591 CD PRO A 37 1.459 3.463 -9.484 1.00 0.00 C ATOM 0 HA PRO A 37 1.680 6.546 -10.277 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.979 4.224 -12.204 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.237 5.287 -11.604 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.078 2.775 -10.718 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.516 4.067 -9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.854 2.670 -9.924 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.670 3.170 -8.456 1.00 0.00 H new ATOM 599 N ASP A 38 -0.654 6.905 -11.270 1.00 0.00 N ATOM 600 CA ASP A 38 -1.661 7.526 -12.136 1.00 0.00 C ATOM 601 C ASP A 38 -2.674 8.287 -11.286 1.00 0.00 C ATOM 602 O ASP A 38 -2.979 9.449 -11.555 1.00 0.00 O ATOM 603 CB ASP A 38 -2.404 6.500 -13.000 1.00 0.00 C ATOM 604 CG ASP A 38 -3.373 7.159 -13.965 1.00 0.00 C ATOM 605 OD1 ASP A 38 -2.932 8.001 -14.779 1.00 0.00 O ATOM 606 OD2 ASP A 38 -4.578 6.834 -13.924 1.00 0.00 O ATOM 0 H ASP A 38 -0.696 7.234 -10.305 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.133 8.206 -12.805 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.681 5.908 -13.561 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.948 5.810 -12.355 1.00 0.00 H new ATOM 611 N GLU A 39 -3.170 7.630 -10.242 1.00 0.00 N ATOM 612 CA GLU A 39 -4.207 8.204 -9.391 1.00 0.00 C ATOM 613 C GLU A 39 -3.787 8.195 -7.924 1.00 0.00 C ATOM 614 O GLU A 39 -2.943 7.397 -7.510 1.00 0.00 O ATOM 615 CB GLU A 39 -5.520 7.433 -9.548 1.00 0.00 C ATOM 616 CG GLU A 39 -6.170 7.586 -10.914 1.00 0.00 C ATOM 617 CD GLU A 39 -7.458 6.799 -11.029 1.00 0.00 C ATOM 618 OE1 GLU A 39 -8.499 7.271 -10.523 1.00 0.00 O ATOM 619 OE2 GLU A 39 -7.437 5.698 -11.619 1.00 0.00 O ATOM 0 H GLU A 39 -2.869 6.696 -9.964 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.354 9.237 -9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.332 6.375 -9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.221 7.770 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.373 8.640 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.474 7.254 -11.684 1.00 0.00 H new ATOM 626 N LEU A 40 -4.389 9.082 -7.145 1.00 0.00 N ATOM 627 CA LEU A 40 -4.110 9.180 -5.722 1.00 0.00 C ATOM 628 C LEU A 40 -5.411 9.136 -4.932 1.00 0.00 C ATOM 629 O LEU A 40 -6.309 9.945 -5.156 1.00 0.00 O ATOM 630 CB LEU A 40 -3.351 10.477 -5.416 1.00 0.00 C ATOM 631 CG LEU A 40 -3.080 10.744 -3.931 1.00 0.00 C ATOM 632 CD1 LEU A 40 -2.211 9.647 -3.336 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.422 12.103 -3.750 1.00 0.00 C ATOM 0 H LEU A 40 -5.082 9.751 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.488 8.335 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.398 10.453 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.919 11.315 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.033 10.746 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.031 9.857 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.719 8.687 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.259 9.609 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.236 12.279 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.477 12.125 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.081 12.881 -4.136 1.00 0.00 H new ATOM 645 N VAL A 41 -5.519 8.175 -4.027 1.00 0.00 N ATOM 646 CA VAL A 41 -6.700 8.055 -3.184 1.00 0.00 C ATOM 647 C VAL A 41 -6.339 8.318 -1.726 1.00 0.00 C ATOM 648 O VAL A 41 -6.006 7.398 -0.984 1.00 0.00 O ATOM 649 CB VAL A 41 -7.358 6.661 -3.307 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.655 6.600 -2.508 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.612 6.309 -4.766 1.00 0.00 C ATOM 0 H VAL A 41 -4.804 7.467 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.418 8.800 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.668 5.926 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.099 5.610 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.444 6.796 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.350 7.350 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.075 5.324 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.277 7.051 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.666 6.299 -5.308 1.00 0.00 H new ATOM 661 N GLU A 42 -6.365 9.584 -1.334 1.00 0.00 N ATOM 662 CA GLU A 42 -6.059 9.968 0.038 1.00 0.00 C ATOM 663 C GLU A 42 -7.335 10.009 0.871 1.00 0.00 C ATOM 664 O GLU A 42 -7.300 10.164 2.092 1.00 0.00 O ATOM 665 CB GLU A 42 -5.350 11.333 0.070 1.00 0.00 C ATOM 666 CG GLU A 42 -6.257 12.542 -0.164 1.00 0.00 C ATOM 667 CD GLU A 42 -7.098 12.442 -1.423 1.00 0.00 C ATOM 668 OE1 GLU A 42 -6.552 12.087 -2.485 1.00 0.00 O ATOM 669 OE2 GLU A 42 -8.320 12.689 -1.343 1.00 0.00 O ATOM 0 H GLU A 42 -6.595 10.365 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.388 9.223 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.860 11.448 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.566 11.335 -0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.918 12.660 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.642 13.440 -0.219 1.00 0.00 H new ATOM 676 N HIS A 43 -8.463 9.846 0.195 1.00 0.00 N ATOM 677 CA HIS A 43 -9.767 9.934 0.831 1.00 0.00 C ATOM 678 C HIS A 43 -10.217 8.552 1.300 1.00 0.00 C ATOM 679 O HIS A 43 -11.387 8.184 1.200 1.00 0.00 O ATOM 680 CB HIS A 43 -10.771 10.538 -0.160 1.00 0.00 C ATOM 681 CG HIS A 43 -12.031 11.054 0.465 1.00 0.00 C ATOM 682 ND1 HIS A 43 -13.265 10.486 0.249 1.00 0.00 N ATOM 683 CD2 HIS A 43 -12.246 12.112 1.282 1.00 0.00 C ATOM 684 CE1 HIS A 43 -14.184 11.170 0.901 1.00 0.00 C ATOM 685 NE2 HIS A 43 -13.592 12.162 1.537 1.00 0.00 N ATOM 0 H HIS A 43 -8.499 9.650 -0.805 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.709 10.580 1.707 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.286 11.354 -0.696 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.032 9.781 -0.900 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.497 12.790 1.662 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.242 10.955 0.912 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -14.059 12.854 2.123 1.00 0.00 H new ATOM 694 N TRP A 44 -9.272 7.814 1.849 1.00 0.00 N ATOM 695 CA TRP A 44 -9.514 6.453 2.309 1.00 0.00 C ATOM 696 C TRP A 44 -9.642 6.444 3.834 1.00 0.00 C ATOM 697 O TRP A 44 -8.658 6.633 4.552 1.00 0.00 O ATOM 698 CB TRP A 44 -8.372 5.543 1.840 1.00 0.00 C ATOM 699 CG TRP A 44 -8.609 4.080 2.065 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.764 3.386 1.837 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.653 3.124 2.536 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.586 2.060 2.152 1.00 0.00 N ATOM 703 CE2 TRP A 44 -8.298 1.874 2.579 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.312 3.205 2.926 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -7.650 0.716 3.001 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.669 2.053 3.344 1.00 0.00 C ATOM 707 CH2 TRP A 44 -6.338 0.823 3.375 1.00 0.00 C ATOM 0 H TRP A 44 -8.315 8.137 1.990 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.445 6.076 1.887 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.204 5.711 0.776 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.457 5.834 2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.682 3.816 1.464 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.297 1.333 2.080 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.788 4.149 2.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.165 -0.233 3.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.635 2.103 3.651 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.807 -0.059 3.701 1.00 0.00 H new ATOM 718 N PRO A 45 -10.867 6.249 4.344 1.00 0.00 N ATOM 719 CA PRO A 45 -11.167 6.387 5.767 1.00 0.00 C ATOM 720 C PRO A 45 -10.889 5.120 6.578 1.00 0.00 C ATOM 721 O PRO A 45 -11.812 4.448 7.048 1.00 0.00 O ATOM 722 CB PRO A 45 -12.660 6.704 5.756 1.00 0.00 C ATOM 723 CG PRO A 45 -13.195 5.979 4.566 1.00 0.00 C ATOM 724 CD PRO A 45 -12.065 5.878 3.569 1.00 0.00 C ATOM 0 HA PRO A 45 -10.542 7.142 6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.142 6.368 6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.836 7.777 5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.552 4.988 4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.042 6.514 4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.981 4.870 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.217 6.550 2.724 1.00 0.00 H new ATOM 732 N VAL A 46 -9.616 4.794 6.734 1.00 0.00 N ATOM 733 CA VAL A 46 -9.212 3.672 7.567 1.00 0.00 C ATOM 734 C VAL A 46 -8.194 4.128 8.607 1.00 0.00 C ATOM 735 O VAL A 46 -7.095 4.571 8.263 1.00 0.00 O ATOM 736 CB VAL A 46 -8.623 2.512 6.730 1.00 0.00 C ATOM 737 CG1 VAL A 46 -8.094 1.403 7.630 1.00 0.00 C ATOM 738 CG2 VAL A 46 -9.673 1.961 5.777 1.00 0.00 C ATOM 0 H VAL A 46 -8.842 5.292 6.293 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.106 3.300 8.068 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.789 2.904 6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.686 0.600 7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.311 1.801 8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.907 1.013 8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.244 1.146 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.524 1.590 6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.004 2.752 5.104 1.00 0.00 H new ATOM 748 N PRO A 47 -8.567 4.059 9.896 1.00 0.00 N ATOM 749 CA PRO A 47 -7.686 4.439 11.002 1.00 0.00 C ATOM 750 C PRO A 47 -6.540 3.448 11.193 1.00 0.00 C ATOM 751 O PRO A 47 -6.637 2.517 11.998 1.00 0.00 O ATOM 752 CB PRO A 47 -8.608 4.441 12.233 1.00 0.00 C ATOM 753 CG PRO A 47 -9.998 4.336 11.696 1.00 0.00 C ATOM 754 CD PRO A 47 -9.881 3.623 10.380 1.00 0.00 C ATOM 0 HA PRO A 47 -7.208 5.402 10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.380 3.606 12.895 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.481 5.353 12.816 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.641 3.785 12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.442 5.323 11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.930 2.541 10.500 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.680 3.905 9.694 1.00 0.00 H new ATOM 762 N SER A 48 -5.472 3.655 10.428 1.00 0.00 N ATOM 763 CA SER A 48 -4.270 2.820 10.463 1.00 0.00 C ATOM 764 C SER A 48 -4.598 1.323 10.409 1.00 0.00 C ATOM 765 O SER A 48 -5.037 0.815 9.377 1.00 0.00 O ATOM 766 CB SER A 48 -3.394 3.159 11.684 1.00 0.00 C ATOM 767 OG SER A 48 -4.106 3.008 12.903 1.00 0.00 O ATOM 0 H SER A 48 -5.414 4.419 9.755 1.00 0.00 H new ATOM 0 HA SER A 48 -3.698 3.048 9.563 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.517 2.512 11.693 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.033 4.184 11.599 1.00 0.00 H new ATOM 0 HG SER A 48 -3.518 3.230 13.655 1.00 0.00 H new ATOM 773 N LEU A 49 -4.411 0.631 11.525 1.00 0.00 N ATOM 774 CA LEU A 49 -4.614 -0.808 11.576 1.00 0.00 C ATOM 775 C LEU A 49 -5.617 -1.156 12.670 1.00 0.00 C ATOM 776 O LEU A 49 -5.563 -2.230 13.262 1.00 0.00 O ATOM 777 CB LEU A 49 -3.276 -1.512 11.831 1.00 0.00 C ATOM 778 CG LEU A 49 -2.949 -2.679 10.889 1.00 0.00 C ATOM 779 CD1 LEU A 49 -3.961 -3.804 11.034 1.00 0.00 C ATOM 780 CD2 LEU A 49 -2.890 -2.198 9.446 1.00 0.00 C ATOM 0 H LEU A 49 -4.118 1.046 12.409 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.013 -1.148 10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.478 -0.774 11.756 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.271 -1.884 12.856 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.971 -3.071 11.167 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.703 -4.616 10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.951 -4.173 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.956 -3.431 10.792 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.657 -3.038 8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.854 -1.775 9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.117 -1.436 9.348 1.00 0.00 H new ATOM 792 N GLY A 50 -6.535 -0.234 12.930 1.00 0.00 N ATOM 793 CA GLY A 50 -7.569 -0.481 13.919 1.00 0.00 C ATOM 794 C GLY A 50 -8.540 -1.555 13.469 1.00 0.00 C ATOM 795 O GLY A 50 -9.141 -2.248 14.290 1.00 0.00 O ATOM 0 H GLY A 50 -6.583 0.678 12.476 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.107 -0.781 14.860 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.114 0.443 14.112 1.00 0.00 H new ATOM 799 N GLN A 51 -8.685 -1.697 12.155 1.00 0.00 N ATOM 800 CA GLN A 51 -9.587 -2.688 11.583 1.00 0.00 C ATOM 801 C GLN A 51 -8.878 -3.506 10.510 1.00 0.00 C ATOM 802 O GLN A 51 -8.574 -4.683 10.701 1.00 0.00 O ATOM 803 CB GLN A 51 -10.799 -2.013 10.938 1.00 0.00 C ATOM 804 CG GLN A 51 -11.640 -1.172 11.878 1.00 0.00 C ATOM 805 CD GLN A 51 -12.724 -0.423 11.132 1.00 0.00 C ATOM 806 OE1 GLN A 51 -12.551 -0.063 9.963 1.00 0.00 O ATOM 807 NE2 GLN A 51 -13.847 -0.191 11.786 1.00 0.00 N ATOM 0 H GLN A 51 -8.187 -1.135 11.465 1.00 0.00 H new ATOM 0 HA GLN A 51 -9.911 -3.337 12.397 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.452 -1.380 10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.433 -2.783 10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.093 -1.813 12.634 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.001 -0.462 12.403 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.949 -0.505 12.751 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.612 0.302 11.326 1.00 0.00 H new ATOM 816 N LEU A 52 -8.625 -2.843 9.382 1.00 0.00 N ATOM 817 CA LEU A 52 -8.109 -3.485 8.177 1.00 0.00 C ATOM 818 C LEU A 52 -9.007 -4.650 7.780 1.00 0.00 C ATOM 819 O LEU A 52 -8.551 -5.716 7.374 1.00 0.00 O ATOM 820 CB LEU A 52 -6.658 -3.943 8.357 1.00 0.00 C ATOM 821 CG LEU A 52 -5.943 -4.303 7.052 1.00 0.00 C ATOM 822 CD1 LEU A 52 -5.932 -3.106 6.110 1.00 0.00 C ATOM 823 CD2 LEU A 52 -4.527 -4.783 7.330 1.00 0.00 C ATOM 0 H LEU A 52 -8.774 -1.839 9.280 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.114 -2.750 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.099 -3.152 8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.643 -4.810 9.017 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.487 -5.116 6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.421 -3.375 5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.957 -2.811 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.411 -2.275 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.037 -5.034 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.967 -3.994 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.561 -5.666 7.968 1.00 0.00 H new ATOM 835 N GLN A 53 -10.300 -4.416 7.895 1.00 0.00 N ATOM 836 CA GLN A 53 -11.297 -5.395 7.507 1.00 0.00 C ATOM 837 C GLN A 53 -11.499 -5.339 5.995 1.00 0.00 C ATOM 838 O GLN A 53 -11.498 -4.249 5.414 1.00 0.00 O ATOM 839 CB GLN A 53 -12.612 -5.112 8.242 1.00 0.00 C ATOM 840 CG GLN A 53 -13.731 -6.090 7.921 1.00 0.00 C ATOM 841 CD GLN A 53 -15.016 -5.750 8.642 1.00 0.00 C ATOM 842 OE1 GLN A 53 -15.836 -4.982 8.139 1.00 0.00 O ATOM 843 NE2 GLN A 53 -15.208 -6.323 9.818 1.00 0.00 N ATOM 0 H GLN A 53 -10.688 -3.545 8.259 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.959 -6.395 7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.426 -5.131 9.316 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.944 -4.104 7.994 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.910 -6.093 6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.419 -7.098 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.503 -6.954 10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.061 -6.134 10.344 1.00 0.00 H new ATOM 852 N PRO A 54 -11.658 -6.504 5.339 1.00 0.00 N ATOM 853 CA PRO A 54 -11.851 -6.593 3.884 1.00 0.00 C ATOM 854 C PRO A 54 -12.914 -5.633 3.352 1.00 0.00 C ATOM 855 O PRO A 54 -12.829 -5.183 2.216 1.00 0.00 O ATOM 856 CB PRO A 54 -12.293 -8.040 3.677 1.00 0.00 C ATOM 857 CG PRO A 54 -11.656 -8.786 4.794 1.00 0.00 C ATOM 858 CD PRO A 54 -11.631 -7.843 5.965 1.00 0.00 C ATOM 0 HA PRO A 54 -10.943 -6.318 3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.379 -8.132 3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.967 -8.420 2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.220 -9.688 5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.648 -9.102 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.489 -7.996 6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.737 -7.983 6.572 1.00 0.00 H new ATOM 866 N ALA A 55 -13.902 -5.311 4.180 1.00 0.00 N ATOM 867 CA ALA A 55 -14.967 -4.391 3.786 1.00 0.00 C ATOM 868 C ALA A 55 -14.422 -2.986 3.510 1.00 0.00 C ATOM 869 O ALA A 55 -14.952 -2.256 2.675 1.00 0.00 O ATOM 870 CB ALA A 55 -16.042 -4.341 4.860 1.00 0.00 C ATOM 0 H ALA A 55 -13.989 -5.673 5.130 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.406 -4.764 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.830 -3.652 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.464 -5.336 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.604 -3.999 5.798 1.00 0.00 H new ATOM 876 N HIS A 56 -13.353 -2.616 4.209 1.00 0.00 N ATOM 877 CA HIS A 56 -12.757 -1.292 4.051 1.00 0.00 C ATOM 878 C HIS A 56 -11.547 -1.336 3.123 1.00 0.00 C ATOM 879 O HIS A 56 -11.198 -0.336 2.494 1.00 0.00 O ATOM 880 CB HIS A 56 -12.363 -0.706 5.414 1.00 0.00 C ATOM 881 CG HIS A 56 -13.466 0.080 6.063 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.538 0.319 7.423 1.00 0.00 N ATOM 883 CD2 HIS A 56 -14.545 0.696 5.523 1.00 0.00 C ATOM 884 CE1 HIS A 56 -14.612 1.043 7.683 1.00 0.00 C ATOM 885 NE2 HIS A 56 -15.236 1.285 6.549 1.00 0.00 N ATOM 0 H HIS A 56 -12.882 -3.213 4.889 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.508 -0.645 3.598 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.065 -1.517 6.078 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.493 -0.062 5.287 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -12.867 -0.012 8.117 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.811 0.719 4.477 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.925 1.379 8.660 1.00 0.00 H new ATOM 894 N MET A 57 -10.917 -2.499 3.029 1.00 0.00 N ATOM 895 CA MET A 57 -9.753 -2.667 2.167 1.00 0.00 C ATOM 896 C MET A 57 -10.185 -3.138 0.777 1.00 0.00 C ATOM 897 O MET A 57 -9.363 -3.302 -0.128 1.00 0.00 O ATOM 898 CB MET A 57 -8.769 -3.663 2.796 1.00 0.00 C ATOM 899 CG MET A 57 -7.430 -3.746 2.078 1.00 0.00 C ATOM 900 SD MET A 57 -6.276 -4.872 2.884 1.00 0.00 S ATOM 901 CE MET A 57 -4.867 -4.757 1.785 1.00 0.00 C ATOM 0 H MET A 57 -11.191 -3.339 3.538 1.00 0.00 H new ATOM 0 HA MET A 57 -9.251 -1.705 2.061 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.596 -3.381 3.835 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.226 -4.652 2.807 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.593 -4.073 1.051 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.986 -2.752 2.029 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.067 -5.400 2.151 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.159 -5.075 0.784 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.516 -3.726 1.750 1.00 0.00 H new ATOM 911 N ASP A 58 -11.491 -3.326 0.616 1.00 0.00 N ATOM 912 CA ASP A 58 -12.073 -3.789 -0.645 1.00 0.00 C ATOM 913 C ASP A 58 -11.708 -2.865 -1.799 1.00 0.00 C ATOM 914 O ASP A 58 -11.504 -3.317 -2.922 1.00 0.00 O ATOM 915 CB ASP A 58 -13.596 -3.888 -0.518 1.00 0.00 C ATOM 916 CG ASP A 58 -14.273 -4.253 -1.824 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.096 -5.395 -2.295 1.00 0.00 O ATOM 918 OD2 ASP A 58 -15.004 -3.399 -2.376 1.00 0.00 O ATOM 0 H ASP A 58 -12.177 -3.163 1.353 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.662 -4.776 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.845 -4.635 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.989 -2.935 -0.165 1.00 0.00 H new ATOM 923 N ALA A 59 -11.607 -1.572 -1.509 1.00 0.00 N ATOM 924 CA ALA A 59 -11.233 -0.585 -2.515 1.00 0.00 C ATOM 925 C ALA A 59 -9.872 -0.916 -3.122 1.00 0.00 C ATOM 926 O ALA A 59 -9.684 -0.831 -4.335 1.00 0.00 O ATOM 927 CB ALA A 59 -11.217 0.809 -1.904 1.00 0.00 C ATOM 0 H ALA A 59 -11.780 -1.182 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.975 -0.610 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.936 1.537 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.208 1.049 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.495 0.840 -1.088 1.00 0.00 H new ATOM 933 N VAL A 60 -8.936 -1.322 -2.270 1.00 0.00 N ATOM 934 CA VAL A 60 -7.589 -1.666 -2.712 1.00 0.00 C ATOM 935 C VAL A 60 -7.614 -2.938 -3.555 1.00 0.00 C ATOM 936 O VAL A 60 -6.923 -3.045 -4.569 1.00 0.00 O ATOM 937 CB VAL A 60 -6.640 -1.876 -1.511 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.204 -2.068 -1.981 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.738 -0.716 -0.531 1.00 0.00 C ATOM 0 H VAL A 60 -9.086 -1.421 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.220 -0.834 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.950 -2.783 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.555 -2.214 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.147 -2.942 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.881 -1.185 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.060 -0.888 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.464 0.211 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.760 -0.639 -0.160 1.00 0.00 H new ATOM 949 N LEU A 61 -8.432 -3.893 -3.136 1.00 0.00 N ATOM 950 CA LEU A 61 -8.539 -5.171 -3.825 1.00 0.00 C ATOM 951 C LEU A 61 -9.236 -5.004 -5.173 1.00 0.00 C ATOM 952 O LEU A 61 -8.914 -5.701 -6.138 1.00 0.00 O ATOM 953 CB LEU A 61 -9.296 -6.179 -2.959 1.00 0.00 C ATOM 954 CG LEU A 61 -8.665 -6.464 -1.591 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.537 -7.422 -0.794 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.262 -7.031 -1.757 1.00 0.00 C ATOM 0 H LEU A 61 -9.034 -3.806 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.532 -5.547 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.311 -5.812 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.376 -7.118 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.592 -5.525 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.075 -7.614 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.522 -6.979 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.640 -8.360 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.830 -7.227 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.310 -7.960 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.640 -6.312 -2.290 1.00 0.00 H new ATOM 968 N ALA A 62 -10.184 -4.073 -5.230 1.00 0.00 N ATOM 969 CA ALA A 62 -10.911 -3.785 -6.460 1.00 0.00 C ATOM 970 C ALA A 62 -9.994 -3.155 -7.501 1.00 0.00 C ATOM 971 O ALA A 62 -10.160 -3.379 -8.700 1.00 0.00 O ATOM 972 CB ALA A 62 -12.093 -2.872 -6.178 1.00 0.00 C ATOM 0 H ALA A 62 -10.467 -3.503 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.284 -4.728 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.624 -2.667 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.768 -3.358 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.735 -1.935 -5.751 1.00 0.00 H new ATOM 978 N LEU A 63 -9.031 -2.363 -7.037 1.00 0.00 N ATOM 979 CA LEU A 63 -8.038 -1.774 -7.928 1.00 0.00 C ATOM 980 C LEU A 63 -7.183 -2.873 -8.546 1.00 0.00 C ATOM 981 O LEU A 63 -6.791 -2.787 -9.710 1.00 0.00 O ATOM 982 CB LEU A 63 -7.151 -0.784 -7.167 1.00 0.00 C ATOM 983 CG LEU A 63 -7.887 0.412 -6.558 1.00 0.00 C ATOM 984 CD1 LEU A 63 -6.925 1.290 -5.775 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.582 1.221 -7.643 1.00 0.00 C ATOM 0 H LEU A 63 -8.918 -2.116 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.556 -1.234 -8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.637 -1.320 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.384 -0.411 -7.846 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.644 0.034 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.467 2.135 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.473 0.708 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.144 1.658 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.100 2.067 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.842 1.587 -8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.303 0.590 -8.162 1.00 0.00 H new ATOM 997 N ASN A 64 -6.923 -3.907 -7.745 1.00 0.00 N ATOM 998 CA ASN A 64 -6.201 -5.102 -8.184 1.00 0.00 C ATOM 999 C ASN A 64 -4.807 -4.768 -8.723 1.00 0.00 C ATOM 1000 O ASN A 64 -4.606 -4.606 -9.927 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.022 -5.878 -9.228 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.338 -7.151 -9.700 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.423 -8.195 -9.049 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.686 -7.084 -10.851 1.00 0.00 N ATOM 0 H ASN A 64 -7.209 -3.939 -6.767 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.061 -5.737 -7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.993 -6.131 -8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.209 -5.233 -10.087 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.231 -7.915 -11.229 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.639 -6.201 -11.360 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.833 -4.614 -7.822 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.446 -4.400 -8.183 1.00 0.00 C ATOM 1013 C PRO A 65 -1.653 -5.704 -8.200 1.00 0.00 C ATOM 1014 O PRO A 65 -2.137 -6.742 -7.749 1.00 0.00 O ATOM 1015 CB PRO A 65 -1.952 -3.482 -7.065 1.00 0.00 C ATOM 1016 CG PRO A 65 -2.846 -3.755 -5.887 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.001 -4.604 -6.367 1.00 0.00 C ATOM 0 HA PRO A 65 -2.328 -3.985 -9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.910 -3.688 -6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.008 -2.435 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.294 -4.271 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.211 -2.821 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.960 -5.611 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.961 -4.178 -6.076 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.432 -5.649 -8.715 1.00 0.00 N ATOM 1026 CA ALA A 66 0.422 -6.825 -8.765 1.00 0.00 C ATOM 1027 C ALA A 66 1.084 -7.054 -7.414 1.00 0.00 C ATOM 1028 O ALA A 66 1.224 -8.191 -6.957 1.00 0.00 O ATOM 1029 CB ALA A 66 1.472 -6.677 -9.857 1.00 0.00 C ATOM 0 H ALA A 66 -0.013 -4.804 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.195 -7.692 -9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.102 -7.566 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.979 -6.557 -10.822 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.088 -5.801 -9.653 1.00 0.00 H new ATOM 1035 N VAL A 67 1.486 -5.961 -6.781 1.00 0.00 N ATOM 1036 CA VAL A 67 2.104 -6.014 -5.463 1.00 0.00 C ATOM 1037 C VAL A 67 1.639 -4.823 -4.626 1.00 0.00 C ATOM 1038 O VAL A 67 1.391 -3.742 -5.165 1.00 0.00 O ATOM 1039 CB VAL A 67 3.651 -6.041 -5.569 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.168 -4.848 -6.357 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.300 -6.100 -4.192 1.00 0.00 C ATOM 0 H VAL A 67 1.394 -5.019 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 67 1.793 -6.936 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 67 3.926 -6.948 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.256 -4.894 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.750 -4.868 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.870 -3.926 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.384 -6.118 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.008 -5.223 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.973 -7.001 -3.674 1.00 0.00 H new ATOM 1051 N ILE A 68 1.490 -5.024 -3.322 1.00 0.00 N ATOM 1052 CA ILE A 68 0.985 -3.973 -2.449 1.00 0.00 C ATOM 1053 C ILE A 68 1.980 -3.670 -1.336 1.00 0.00 C ATOM 1054 O ILE A 68 2.425 -4.569 -0.622 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.370 -4.358 -1.814 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.362 -4.804 -2.892 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.937 -3.183 -1.025 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.691 -5.280 -2.343 1.00 0.00 C ATOM 0 H ILE A 68 1.710 -5.900 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 68 0.844 -3.089 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.207 -5.191 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.539 -3.973 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.912 -5.607 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.892 -3.468 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.240 -2.905 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.085 -2.334 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.339 -5.579 -3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.528 -6.132 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.164 -4.473 -1.784 1.00 0.00 H new ATOM 1070 N LEU A 69 2.325 -2.400 -1.196 1.00 0.00 N ATOM 1071 CA LEU A 69 3.192 -1.961 -0.119 1.00 0.00 C ATOM 1072 C LEU A 69 2.359 -1.300 0.967 1.00 0.00 C ATOM 1073 O LEU A 69 1.759 -0.251 0.742 1.00 0.00 O ATOM 1074 CB LEU A 69 4.249 -0.983 -0.636 1.00 0.00 C ATOM 1075 CG LEU A 69 5.226 -1.562 -1.658 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.192 -0.490 -2.133 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.986 -2.736 -1.065 1.00 0.00 C ATOM 0 H LEU A 69 2.015 -1.654 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 69 3.705 -2.830 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.742 -0.129 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.818 -0.605 0.214 1.00 0.00 H new ATOM 0 HG LEU A 69 4.656 -1.920 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.882 -0.918 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.634 0.323 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.755 -0.105 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.677 -3.135 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.546 -2.403 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.282 -3.514 -0.770 1.00 0.00 H new ATOM 1089 N LEU A 70 2.311 -1.922 2.132 1.00 0.00 N ATOM 1090 CA LEU A 70 1.521 -1.406 3.235 1.00 0.00 C ATOM 1091 C LEU A 70 2.430 -0.799 4.292 1.00 0.00 C ATOM 1092 O LEU A 70 3.153 -1.513 4.987 1.00 0.00 O ATOM 1093 CB LEU A 70 0.668 -2.521 3.849 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.245 -2.088 5.001 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.272 -1.072 4.525 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.934 -3.298 5.614 1.00 0.00 C ATOM 0 H LEU A 70 2.811 -2.787 2.338 1.00 0.00 H new ATOM 0 HA LEU A 70 0.857 -0.630 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.052 -2.959 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.332 -3.307 4.209 1.00 0.00 H new ATOM 0 HG LEU A 70 0.370 -1.614 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.909 -0.780 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.760 -0.193 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.885 -1.514 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.579 -2.974 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.534 -3.799 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.183 -3.989 5.997 1.00 0.00 H new ATOM 1108 N GLY A 71 2.407 0.518 4.393 1.00 0.00 N ATOM 1109 CA GLY A 71 3.220 1.196 5.377 1.00 0.00 C ATOM 1110 C GLY A 71 2.378 1.817 6.467 1.00 0.00 C ATOM 1111 O GLY A 71 1.500 2.629 6.186 1.00 0.00 O ATOM 0 H GLY A 71 1.838 1.132 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.922 0.489 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.812 1.970 4.889 1.00 0.00 H new ATOM 1115 N THR A 72 2.624 1.425 7.706 1.00 0.00 N ATOM 1116 CA THR A 72 1.887 1.968 8.834 1.00 0.00 C ATOM 1117 C THR A 72 2.784 2.838 9.716 1.00 0.00 C ATOM 1118 O THR A 72 3.231 2.412 10.783 1.00 0.00 O ATOM 1119 CB THR A 72 1.255 0.839 9.674 1.00 0.00 C ATOM 1120 OG1 THR A 72 2.216 -0.201 9.907 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.040 0.257 8.973 1.00 0.00 C ATOM 0 H THR A 72 3.329 0.732 7.956 1.00 0.00 H new ATOM 0 HA THR A 72 1.090 2.594 8.432 1.00 0.00 H new ATOM 0 HB THR A 72 0.940 1.264 10.627 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.879 0.107 10.559 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.388 -0.537 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.703 1.040 8.823 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.338 -0.150 8.007 1.00 0.00 H new ATOM 1129 N GLY A 73 3.055 4.055 9.256 1.00 0.00 N ATOM 1130 CA GLY A 73 3.943 4.947 9.980 1.00 0.00 C ATOM 1131 C GLY A 73 5.312 4.333 10.209 1.00 0.00 C ATOM 1132 O GLY A 73 5.869 3.686 9.320 1.00 0.00 O ATOM 0 H GLY A 73 2.674 4.441 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.053 5.878 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.495 5.201 10.941 1.00 0.00 H new ATOM 1136 N GLU A 74 5.862 4.547 11.396 1.00 0.00 N ATOM 1137 CA GLU A 74 7.089 3.877 11.802 1.00 0.00 C ATOM 1138 C GLU A 74 6.765 2.710 12.734 1.00 0.00 C ATOM 1139 O GLU A 74 7.626 2.227 13.474 1.00 0.00 O ATOM 1140 CB GLU A 74 8.051 4.845 12.505 1.00 0.00 C ATOM 1141 CG GLU A 74 8.746 5.839 11.580 1.00 0.00 C ATOM 1142 CD GLU A 74 7.928 7.083 11.301 1.00 0.00 C ATOM 1143 OE1 GLU A 74 6.901 7.294 11.977 1.00 0.00 O ATOM 1144 OE2 GLU A 74 8.326 7.873 10.416 1.00 0.00 O ATOM 0 H GLU A 74 5.477 5.181 12.096 1.00 0.00 H new ATOM 0 HA GLU A 74 7.578 3.504 10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.497 5.400 13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.811 4.264 13.028 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.697 6.132 12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.974 5.345 10.635 1.00 0.00 H new ATOM 1151 N ARG A 75 5.518 2.254 12.689 1.00 0.00 N ATOM 1152 CA ARG A 75 5.067 1.166 13.547 1.00 0.00 C ATOM 1153 C ARG A 75 4.599 -0.013 12.704 1.00 0.00 C ATOM 1154 O ARG A 75 3.473 -0.025 12.213 1.00 0.00 O ATOM 1155 CB ARG A 75 3.937 1.644 14.464 1.00 0.00 C ATOM 1156 CG ARG A 75 4.335 2.804 15.366 1.00 0.00 C ATOM 1157 CD ARG A 75 3.193 3.231 16.273 1.00 0.00 C ATOM 1158 NE ARG A 75 2.791 2.168 17.195 1.00 0.00 N ATOM 1159 CZ ARG A 75 1.732 2.244 18.000 1.00 0.00 C ATOM 1160 NH1 ARG A 75 0.990 3.344 18.027 1.00 0.00 N ATOM 1161 NH2 ARG A 75 1.428 1.229 18.796 1.00 0.00 N ATOM 0 H ARG A 75 4.800 2.623 12.065 1.00 0.00 H new ATOM 0 HA ARG A 75 5.904 0.842 14.166 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.087 1.945 13.852 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.605 0.810 15.083 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.193 2.515 15.973 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.649 3.650 14.754 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.494 4.110 16.844 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.338 3.524 15.664 1.00 0.00 H new ATOM 0 HE ARG A 75 3.355 1.319 17.223 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.230 4.136 17.430 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.180 3.398 18.645 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.005 0.388 18.793 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.617 1.289 19.412 1.00 0.00 H new ATOM 1175 N GLN A 76 5.470 -0.996 12.530 1.00 0.00 N ATOM 1176 CA GLN A 76 5.181 -2.128 11.659 1.00 0.00 C ATOM 1177 C GLN A 76 4.100 -3.024 12.260 1.00 0.00 C ATOM 1178 O GLN A 76 4.292 -3.623 13.321 1.00 0.00 O ATOM 1179 CB GLN A 76 6.449 -2.942 11.409 1.00 0.00 C ATOM 1180 CG GLN A 76 6.312 -3.971 10.298 1.00 0.00 C ATOM 1181 CD GLN A 76 7.526 -4.871 10.182 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.127 -5.207 11.311 1.00 0.00 O flip ATOM 1183 NE2 GLN A 76 7.904 -5.285 9.088 1.00 0.00 N flip ATOM 0 H GLN A 76 6.384 -1.033 12.981 1.00 0.00 H new ATOM 0 HA GLN A 76 4.814 -1.735 10.711 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.263 -2.261 11.162 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.729 -3.452 12.331 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.428 -4.582 10.481 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.154 -3.457 9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.414 -5.003 8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.708 -5.910 9.029 1.00 0.00 H new ATOM 1192 N GLN A 77 2.966 -3.094 11.577 1.00 0.00 N ATOM 1193 CA GLN A 77 1.863 -3.953 11.989 1.00 0.00 C ATOM 1194 C GLN A 77 1.865 -5.239 11.172 1.00 0.00 C ATOM 1195 O GLN A 77 2.835 -5.541 10.475 1.00 0.00 O ATOM 1196 CB GLN A 77 0.530 -3.221 11.812 1.00 0.00 C ATOM 1197 CG GLN A 77 0.369 -2.011 12.719 1.00 0.00 C ATOM 1198 CD GLN A 77 0.295 -2.384 14.189 1.00 0.00 C ATOM 1199 OE1 GLN A 77 1.311 -2.450 14.880 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -0.912 -2.630 14.675 1.00 0.00 N ATOM 0 H GLN A 77 2.784 -2.561 10.727 1.00 0.00 H new ATOM 0 HA GLN A 77 1.990 -4.205 13.042 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.437 -2.900 10.774 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.285 -3.919 12.004 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.207 -1.331 12.563 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.536 -1.471 12.440 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.729 -2.564 14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.024 -2.885 15.656 1.00 0.00 H new ATOM 1209 N PHE A 78 0.789 -5.999 11.275 1.00 0.00 N ATOM 1210 CA PHE A 78 0.641 -7.223 10.502 1.00 0.00 C ATOM 1211 C PHE A 78 -0.734 -7.259 9.838 1.00 0.00 C ATOM 1212 O PHE A 78 -1.694 -6.700 10.367 1.00 0.00 O ATOM 1213 CB PHE A 78 0.846 -8.460 11.392 1.00 0.00 C ATOM 1214 CG PHE A 78 -0.172 -8.614 12.494 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -0.025 -7.936 13.695 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -1.269 -9.445 12.329 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -0.955 -8.084 14.707 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -2.202 -9.595 13.337 1.00 0.00 C ATOM 1219 CZ PHE A 78 -2.045 -8.914 14.528 1.00 0.00 C ATOM 0 H PHE A 78 0.001 -5.790 11.888 1.00 0.00 H new ATOM 0 HA PHE A 78 1.406 -7.238 9.726 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.821 -9.351 10.765 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.840 -8.411 11.837 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.825 -7.286 13.841 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.396 -9.982 11.401 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.830 -7.551 15.638 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.053 -10.244 13.194 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.773 -9.030 15.318 1.00 0.00 H new ATOM 1229 N PRO A 79 -0.836 -7.890 8.657 1.00 0.00 N ATOM 1230 CA PRO A 79 -2.105 -8.022 7.935 1.00 0.00 C ATOM 1231 C PRO A 79 -3.110 -8.893 8.683 1.00 0.00 C ATOM 1232 O PRO A 79 -2.767 -9.976 9.167 1.00 0.00 O ATOM 1233 CB PRO A 79 -1.711 -8.686 6.609 1.00 0.00 C ATOM 1234 CG PRO A 79 -0.230 -8.536 6.514 1.00 0.00 C ATOM 1235 CD PRO A 79 0.274 -8.515 7.927 1.00 0.00 C ATOM 0 HA PRO A 79 -2.595 -7.057 7.810 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.001 -9.737 6.595 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.209 -8.206 5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.211 -9.361 5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 79 0.037 -7.618 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.487 -9.518 8.296 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.195 -7.939 8.020 1.00 0.00 H new ATOM 1243 N SER A 80 -4.343 -8.409 8.774 1.00 0.00 N ATOM 1244 CA SER A 80 -5.415 -9.130 9.443 1.00 0.00 C ATOM 1245 C SER A 80 -5.683 -10.473 8.764 1.00 0.00 C ATOM 1246 O SER A 80 -5.548 -10.601 7.544 1.00 0.00 O ATOM 1247 CB SER A 80 -6.681 -8.270 9.444 1.00 0.00 C ATOM 1248 OG SER A 80 -6.410 -6.979 9.966 1.00 0.00 O ATOM 0 H SER A 80 -4.626 -7.509 8.387 1.00 0.00 H new ATOM 0 HA SER A 80 -5.113 -9.333 10.470 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.068 -8.183 8.429 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.455 -8.754 10.040 1.00 0.00 H new ATOM 0 HG SER A 80 -7.246 -6.567 10.270 1.00 0.00 H new ATOM 1254 N THR A 81 -6.067 -11.465 9.565 1.00 0.00 N ATOM 1255 CA THR A 81 -6.296 -12.825 9.084 1.00 0.00 C ATOM 1256 C THR A 81 -7.295 -12.859 7.923 1.00 0.00 C ATOM 1257 O THR A 81 -7.135 -13.629 6.976 1.00 0.00 O ATOM 1258 CB THR A 81 -6.809 -13.714 10.231 1.00 0.00 C ATOM 1259 OG1 THR A 81 -6.007 -13.491 11.400 1.00 0.00 O ATOM 1260 CG2 THR A 81 -6.759 -15.188 9.851 1.00 0.00 C ATOM 0 H THR A 81 -6.228 -11.348 10.565 1.00 0.00 H new ATOM 0 HA THR A 81 -5.342 -13.206 8.719 1.00 0.00 H new ATOM 0 HB THR A 81 -7.847 -13.450 10.433 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.333 -14.055 12.133 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.128 -15.790 10.681 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.383 -15.359 8.974 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.731 -15.471 9.626 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.313 -12.010 7.998 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.346 -11.941 6.965 1.00 0.00 C ATOM 1270 C ASP A 82 -8.750 -11.577 5.607 1.00 0.00 C ATOM 1271 O ASP A 82 -9.186 -12.076 4.568 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.403 -10.901 7.340 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.092 -11.202 8.654 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -10.452 -11.037 9.715 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -12.282 -11.574 8.635 1.00 0.00 O ATOM 0 H ASP A 82 -8.448 -11.355 8.768 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.805 -12.927 6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.933 -9.919 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.150 -10.849 6.548 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.743 -10.716 5.626 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.137 -10.210 4.402 1.00 0.00 C ATOM 1282 C VAL A 83 -6.194 -11.246 3.792 1.00 0.00 C ATOM 1283 O VAL A 83 -5.970 -11.264 2.578 1.00 0.00 O ATOM 1284 CB VAL A 83 -6.360 -8.903 4.671 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -5.835 -8.300 3.377 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -7.236 -7.904 5.410 1.00 0.00 C ATOM 0 H VAL A 83 -7.326 -10.351 6.482 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.943 -10.005 3.698 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.503 -9.145 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.292 -7.381 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.165 -9.009 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.671 -8.077 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.672 -6.989 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.115 -7.675 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.550 -8.331 6.362 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.664 -12.121 4.639 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.707 -13.136 4.208 1.00 0.00 C ATOM 1298 C LEU A 84 -5.304 -14.041 3.134 1.00 0.00 C ATOM 1299 O LEU A 84 -4.609 -14.454 2.206 1.00 0.00 O ATOM 1300 CB LEU A 84 -4.254 -13.980 5.400 1.00 0.00 C ATOM 1301 CG LEU A 84 -3.575 -13.201 6.529 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -3.245 -14.128 7.687 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -2.317 -12.510 6.025 1.00 0.00 C ATOM 0 H LEU A 84 -5.882 -12.148 5.635 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.846 -12.620 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.122 -14.498 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.565 -14.745 5.042 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.266 -12.436 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.763 -13.559 8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.163 -14.576 8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.572 -14.914 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.850 -11.962 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.620 -13.256 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.578 -11.816 5.226 1.00 0.00 H new ATOM 1315 N ALA A 85 -6.595 -14.327 3.256 1.00 0.00 N ATOM 1316 CA ALA A 85 -7.283 -15.198 2.309 1.00 0.00 C ATOM 1317 C ALA A 85 -7.253 -14.619 0.897 1.00 0.00 C ATOM 1318 O ALA A 85 -6.994 -15.333 -0.075 1.00 0.00 O ATOM 1319 CB ALA A 85 -8.718 -15.431 2.757 1.00 0.00 C ATOM 0 H ALA A 85 -7.188 -13.967 4.004 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.758 -16.153 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.221 -16.082 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.720 -15.901 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.242 -14.477 2.810 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.496 -13.319 0.789 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.551 -12.650 -0.505 1.00 0.00 C ATOM 1327 C ALA A 86 -6.158 -12.499 -1.108 1.00 0.00 C ATOM 1328 O ALA A 86 -5.975 -12.637 -2.320 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.220 -11.291 -0.368 1.00 0.00 C ATOM 0 H ALA A 86 -7.659 -12.704 1.586 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.143 -13.268 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.254 -10.803 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.235 -11.421 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.651 -10.674 0.328 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.179 -12.223 -0.258 1.00 0.00 N ATOM 1336 CA CYS A 87 -3.808 -12.036 -0.711 1.00 0.00 C ATOM 1337 C CYS A 87 -3.212 -13.353 -1.198 1.00 0.00 C ATOM 1338 O CYS A 87 -2.526 -13.396 -2.221 1.00 0.00 O ATOM 1339 CB CYS A 87 -2.953 -11.458 0.417 1.00 0.00 C ATOM 1340 SG CYS A 87 -3.592 -9.912 1.101 1.00 0.00 S ATOM 0 H CYS A 87 -5.309 -12.124 0.749 1.00 0.00 H new ATOM 0 HA CYS A 87 -3.817 -11.334 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.878 -12.194 1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.943 -11.289 0.044 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.751 -10.126 1.649 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.499 -14.427 -0.468 1.00 0.00 N ATOM 1347 CA LEU A 88 -2.952 -15.742 -0.778 1.00 0.00 C ATOM 1348 C LEU A 88 -3.531 -16.276 -2.087 1.00 0.00 C ATOM 1349 O LEU A 88 -2.794 -16.754 -2.947 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.242 -16.707 0.384 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.465 -18.034 0.383 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -2.430 -18.619 1.786 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -3.090 -19.038 -0.575 1.00 0.00 C ATOM 0 H LEU A 88 -4.112 -14.410 0.347 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.873 -15.656 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.031 -16.188 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.308 -16.936 0.380 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.448 -17.827 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.878 -19.559 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.939 -17.917 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.448 -18.801 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.518 -19.966 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.118 -19.238 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.082 -18.630 -1.586 1.00 0.00 H new ATOM 1365 N THR A 89 -4.847 -16.176 -2.239 1.00 0.00 N ATOM 1366 CA THR A 89 -5.532 -16.735 -3.401 1.00 0.00 C ATOM 1367 C THR A 89 -5.090 -16.070 -4.705 1.00 0.00 C ATOM 1368 O THR A 89 -4.748 -16.751 -5.676 1.00 0.00 O ATOM 1369 CB THR A 89 -7.060 -16.616 -3.254 1.00 0.00 C ATOM 1370 OG1 THR A 89 -7.402 -15.308 -2.776 1.00 0.00 O ATOM 1371 CG2 THR A 89 -7.594 -17.673 -2.298 1.00 0.00 C ATOM 0 H THR A 89 -5.463 -15.712 -1.571 1.00 0.00 H new ATOM 0 HA THR A 89 -5.256 -17.789 -3.446 1.00 0.00 H new ATOM 0 HB THR A 89 -7.515 -16.774 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.380 -15.302 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.676 -17.570 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.354 -18.665 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.135 -17.542 -1.318 1.00 0.00 H new ATOM 1379 N ARG A 90 -5.087 -14.742 -4.724 1.00 0.00 N ATOM 1380 CA ARG A 90 -4.687 -14.006 -5.918 1.00 0.00 C ATOM 1381 C ARG A 90 -3.174 -14.059 -6.108 1.00 0.00 C ATOM 1382 O ARG A 90 -2.673 -13.899 -7.221 1.00 0.00 O ATOM 1383 CB ARG A 90 -5.157 -12.550 -5.849 1.00 0.00 C ATOM 1384 CG ARG A 90 -6.671 -12.388 -5.853 1.00 0.00 C ATOM 1385 CD ARG A 90 -7.072 -10.923 -5.921 1.00 0.00 C ATOM 1386 NE ARG A 90 -8.524 -10.749 -5.897 1.00 0.00 N ATOM 1387 CZ ARG A 90 -9.143 -9.579 -6.046 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -8.443 -8.472 -6.285 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -10.464 -9.525 -5.975 1.00 0.00 N ATOM 0 H ARG A 90 -5.355 -14.156 -3.933 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.163 -14.483 -6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.755 -12.091 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.741 -12.004 -6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.093 -12.922 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.089 -12.840 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.629 -10.387 -5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.669 -10.479 -6.831 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.101 -11.579 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.426 -8.517 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.923 -7.579 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.001 -10.376 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.945 -8.633 -6.088 1.00 0.00 H new ATOM 1403 N GLY A 91 -2.452 -14.298 -5.021 1.00 0.00 N ATOM 1404 CA GLY A 91 -1.006 -14.356 -5.090 1.00 0.00 C ATOM 1405 C GLY A 91 -0.389 -12.975 -5.131 1.00 0.00 C ATOM 1406 O GLY A 91 0.429 -12.670 -6.000 1.00 0.00 O ATOM 0 H GLY A 91 -2.843 -14.453 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.623 -14.900 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.707 -14.914 -5.977 1.00 0.00 H new ATOM 1410 N ILE A 92 -0.791 -12.128 -4.197 1.00 0.00 N ATOM 1411 CA ILE A 92 -0.292 -10.765 -4.143 1.00 0.00 C ATOM 1412 C ILE A 92 0.626 -10.586 -2.942 1.00 0.00 C ATOM 1413 O ILE A 92 0.272 -10.955 -1.820 1.00 0.00 O ATOM 1414 CB ILE A 92 -1.445 -9.739 -4.061 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -2.409 -9.923 -5.237 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -0.892 -8.319 -4.045 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -3.602 -8.990 -5.199 1.00 0.00 C ATOM 0 H ILE A 92 -1.462 -12.362 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 92 0.264 -10.586 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.993 -9.908 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.866 -9.766 -6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.765 -10.953 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.716 -7.608 -3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.241 -8.192 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.322 -8.140 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.239 -9.179 -6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.170 -9.162 -4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.256 -7.956 -5.222 1.00 0.00 H new ATOM 1429 N GLY A 93 1.810 -10.047 -3.183 1.00 0.00 N ATOM 1430 CA GLY A 93 2.728 -9.766 -2.103 1.00 0.00 C ATOM 1431 C GLY A 93 2.319 -8.533 -1.327 1.00 0.00 C ATOM 1432 O GLY A 93 2.431 -7.413 -1.826 1.00 0.00 O ATOM 0 H GLY A 93 2.152 -9.799 -4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.771 -10.622 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.731 -9.627 -2.505 1.00 0.00 H new ATOM 1436 N LEU A 94 1.810 -8.740 -0.124 1.00 0.00 N ATOM 1437 CA LEU A 94 1.435 -7.636 0.743 1.00 0.00 C ATOM 1438 C LEU A 94 2.567 -7.347 1.719 1.00 0.00 C ATOM 1439 O LEU A 94 2.709 -8.017 2.743 1.00 0.00 O ATOM 1440 CB LEU A 94 0.140 -7.963 1.498 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.362 -6.872 2.449 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.628 -5.580 1.692 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.620 -7.334 3.166 1.00 0.00 C ATOM 0 H LEU A 94 1.647 -9.664 0.275 1.00 0.00 H new ATOM 0 HA LEU A 94 1.256 -6.749 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.642 -8.173 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.295 -8.877 2.071 1.00 0.00 H new ATOM 0 HG LEU A 94 0.413 -6.681 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.984 -4.818 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.293 -5.239 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.384 -5.756 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.965 -6.548 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.397 -7.552 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.401 -8.234 3.741 1.00 0.00 H new ATOM 1455 N GLU A 95 3.378 -6.355 1.390 1.00 0.00 N ATOM 1456 CA GLU A 95 4.555 -6.049 2.184 1.00 0.00 C ATOM 1457 C GLU A 95 4.219 -5.052 3.284 1.00 0.00 C ATOM 1458 O GLU A 95 4.068 -3.860 3.030 1.00 0.00 O ATOM 1459 CB GLU A 95 5.665 -5.480 1.294 1.00 0.00 C ATOM 1460 CG GLU A 95 6.158 -6.451 0.234 1.00 0.00 C ATOM 1461 CD GLU A 95 6.727 -7.722 0.828 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.869 -7.693 1.335 1.00 0.00 O ATOM 1463 OE2 GLU A 95 6.038 -8.760 0.793 1.00 0.00 O ATOM 0 H GLU A 95 3.243 -5.749 0.580 1.00 0.00 H new ATOM 0 HA GLU A 95 4.903 -6.974 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.299 -4.577 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.506 -5.184 1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.334 -6.703 -0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.922 -5.964 -0.372 1.00 0.00 H new ATOM 1470 N ALA A 96 4.076 -5.560 4.502 1.00 0.00 N ATOM 1471 CA ALA A 96 3.846 -4.711 5.659 1.00 0.00 C ATOM 1472 C ALA A 96 5.167 -4.135 6.149 1.00 0.00 C ATOM 1473 O ALA A 96 6.025 -4.863 6.649 1.00 0.00 O ATOM 1474 CB ALA A 96 3.153 -5.493 6.766 1.00 0.00 C ATOM 0 H ALA A 96 4.116 -6.557 4.712 1.00 0.00 H new ATOM 0 HA ALA A 96 3.193 -3.888 5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.989 -4.841 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.194 -5.864 6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.779 -6.334 7.064 1.00 0.00 H new ATOM 1480 N MET A 97 5.333 -2.836 5.982 1.00 0.00 N ATOM 1481 CA MET A 97 6.577 -2.165 6.329 1.00 0.00 C ATOM 1482 C MET A 97 6.291 -0.814 6.966 1.00 0.00 C ATOM 1483 O MET A 97 5.151 -0.506 7.317 1.00 0.00 O ATOM 1484 CB MET A 97 7.440 -1.952 5.078 1.00 0.00 C ATOM 1485 CG MET A 97 7.900 -3.230 4.399 1.00 0.00 C ATOM 1486 SD MET A 97 8.877 -2.906 2.918 1.00 0.00 S ATOM 1487 CE MET A 97 9.232 -4.577 2.381 1.00 0.00 C ATOM 0 H MET A 97 4.615 -2.217 5.604 1.00 0.00 H new ATOM 0 HA MET A 97 7.113 -2.797 7.037 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.874 -1.359 4.360 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.317 -1.367 5.354 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.492 -3.818 5.100 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.030 -3.831 4.133 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.309 -4.704 2.276 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.853 -5.284 3.118 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.750 -4.761 1.421 1.00 0.00 H new ATOM 1497 N THR A 98 7.335 -0.016 7.119 1.00 0.00 N ATOM 1498 CA THR A 98 7.184 1.354 7.559 1.00 0.00 C ATOM 1499 C THR A 98 7.015 2.254 6.342 1.00 0.00 C ATOM 1500 O THR A 98 7.324 1.844 5.223 1.00 0.00 O ATOM 1501 CB THR A 98 8.409 1.819 8.371 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.596 1.686 7.577 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.554 1.007 9.650 1.00 0.00 C ATOM 0 H THR A 98 8.299 -0.299 6.943 1.00 0.00 H new ATOM 0 HA THR A 98 6.306 1.415 8.201 1.00 0.00 H new ATOM 0 HB THR A 98 8.264 2.865 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.372 1.984 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.426 1.355 10.205 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.661 1.130 10.263 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.680 -0.046 9.400 1.00 0.00 H new ATOM 1511 N ASN A 99 6.528 3.468 6.555 1.00 0.00 N ATOM 1512 CA ASN A 99 6.370 4.434 5.467 1.00 0.00 C ATOM 1513 C ASN A 99 7.701 4.676 4.762 1.00 0.00 C ATOM 1514 O ASN A 99 7.753 4.836 3.542 1.00 0.00 O ATOM 1515 CB ASN A 99 5.806 5.752 6.004 1.00 0.00 C ATOM 1516 CG ASN A 99 4.341 5.646 6.380 1.00 0.00 C ATOM 1517 OD1 ASN A 99 3.832 4.560 6.631 1.00 0.00 O ATOM 1518 ND2 ASN A 99 3.658 6.776 6.450 1.00 0.00 N ATOM 0 H ASN A 99 6.234 3.811 7.469 1.00 0.00 H new ATOM 0 HA ASN A 99 5.668 4.022 4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.381 6.060 6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.929 6.530 5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.675 6.762 6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.115 7.662 6.234 1.00 0.00 H new ATOM 1525 N ALA A 100 8.779 4.672 5.536 1.00 0.00 N ATOM 1526 CA ALA A 100 10.115 4.875 4.991 1.00 0.00 C ATOM 1527 C ALA A 100 10.573 3.658 4.192 1.00 0.00 C ATOM 1528 O ALA A 100 11.099 3.792 3.087 1.00 0.00 O ATOM 1529 CB ALA A 100 11.100 5.176 6.110 1.00 0.00 C ATOM 0 H ALA A 100 8.754 4.530 6.546 1.00 0.00 H new ATOM 0 HA ALA A 100 10.079 5.728 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.094 5.326 5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.789 6.079 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.124 4.340 6.809 1.00 0.00 H new ATOM 1535 N ALA A 101 10.360 2.470 4.747 1.00 0.00 N ATOM 1536 CA ALA A 101 10.768 1.234 4.089 1.00 0.00 C ATOM 1537 C ALA A 101 9.962 1.004 2.816 1.00 0.00 C ATOM 1538 O ALA A 101 10.495 0.540 1.808 1.00 0.00 O ATOM 1539 CB ALA A 101 10.615 0.053 5.034 1.00 0.00 C ATOM 0 H ALA A 101 9.907 2.337 5.651 1.00 0.00 H new ATOM 0 HA ALA A 101 11.819 1.327 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.924 -0.861 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.239 0.208 5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.572 -0.036 5.339 1.00 0.00 H new ATOM 1545 N ALA A 102 8.679 1.345 2.864 1.00 0.00 N ATOM 1546 CA ALA A 102 7.808 1.212 1.705 1.00 0.00 C ATOM 1547 C ALA A 102 8.273 2.124 0.577 1.00 0.00 C ATOM 1548 O ALA A 102 8.223 1.751 -0.592 1.00 0.00 O ATOM 1549 CB ALA A 102 6.367 1.519 2.082 1.00 0.00 C ATOM 0 H ALA A 102 8.220 1.716 3.696 1.00 0.00 H new ATOM 0 HA ALA A 102 7.859 0.181 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.731 1.414 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.037 0.824 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.299 2.539 2.460 1.00 0.00 H new ATOM 1555 N ALA A 103 8.744 3.315 0.938 1.00 0.00 N ATOM 1556 CA ALA A 103 9.273 4.258 -0.039 1.00 0.00 C ATOM 1557 C ALA A 103 10.527 3.700 -0.708 1.00 0.00 C ATOM 1558 O ALA A 103 10.773 3.932 -1.893 1.00 0.00 O ATOM 1559 CB ALA A 103 9.577 5.592 0.627 1.00 0.00 C ATOM 0 H ALA A 103 8.769 3.649 1.902 1.00 0.00 H new ATOM 0 HA ALA A 103 8.517 4.414 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.972 6.287 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.663 6.001 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.315 5.445 1.416 1.00 0.00 H new ATOM 1565 N ARG A 104 11.312 2.960 0.063 1.00 0.00 N ATOM 1566 CA ARG A 104 12.528 2.337 -0.442 1.00 0.00 C ATOM 1567 C ARG A 104 12.177 1.197 -1.397 1.00 0.00 C ATOM 1568 O ARG A 104 12.707 1.117 -2.507 1.00 0.00 O ATOM 1569 CB ARG A 104 13.377 1.839 0.739 1.00 0.00 C ATOM 1570 CG ARG A 104 14.744 1.271 0.363 1.00 0.00 C ATOM 1571 CD ARG A 104 14.666 -0.187 -0.067 1.00 0.00 C ATOM 1572 NE ARG A 104 13.975 -1.014 0.924 1.00 0.00 N ATOM 1573 CZ ARG A 104 13.787 -2.328 0.803 1.00 0.00 C ATOM 1574 NH1 ARG A 104 14.312 -2.989 -0.222 1.00 0.00 N ATOM 1575 NH2 ARG A 104 13.094 -2.981 1.727 1.00 0.00 N ATOM 0 H ARG A 104 11.126 2.775 1.049 1.00 0.00 H new ATOM 0 HA ARG A 104 13.112 3.069 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.524 2.665 1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.816 1.071 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 104 15.171 1.864 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.419 1.361 1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 104 14.146 -0.256 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.673 -0.573 -0.223 1.00 0.00 H new ATOM 0 HE ARG A 104 13.614 -0.555 1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 104 14.862 -2.491 -0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 104 14.165 -3.995 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 104 12.708 -2.477 2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 104 12.947 -3.987 1.639 1.00 0.00 H new ATOM 1589 N THR A 105 11.270 0.329 -0.963 1.00 0.00 N ATOM 1590 CA THR A 105 10.847 -0.810 -1.766 1.00 0.00 C ATOM 1591 C THR A 105 10.116 -0.353 -3.032 1.00 0.00 C ATOM 1592 O THR A 105 10.195 -1.003 -4.076 1.00 0.00 O ATOM 1593 CB THR A 105 9.932 -1.741 -0.948 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.536 -2.015 0.321 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.688 -3.052 -1.680 1.00 0.00 C ATOM 0 H THR A 105 10.812 0.394 -0.054 1.00 0.00 H new ATOM 0 HA THR A 105 11.743 -1.356 -2.060 1.00 0.00 H new ATOM 0 HB THR A 105 8.975 -1.239 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 105 9.842 -2.266 0.966 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.039 -3.689 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.211 -2.850 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.639 -3.558 -1.847 1.00 0.00 H new ATOM 1603 N TYR A 106 9.421 0.778 -2.931 1.00 0.00 N ATOM 1604 CA TYR A 106 8.674 1.335 -4.054 1.00 0.00 C ATOM 1605 C TYR A 106 9.586 1.574 -5.252 1.00 0.00 C ATOM 1606 O TYR A 106 9.225 1.265 -6.386 1.00 0.00 O ATOM 1607 CB TYR A 106 7.994 2.645 -3.640 1.00 0.00 C ATOM 1608 CG TYR A 106 7.109 3.246 -4.710 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.806 2.800 -4.891 1.00 0.00 C ATOM 1610 CD2 TYR A 106 7.574 4.262 -5.538 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.993 3.345 -5.867 1.00 0.00 C ATOM 1612 CE2 TYR A 106 6.768 4.812 -6.515 1.00 0.00 C ATOM 1613 CZ TYR A 106 5.478 4.350 -6.676 1.00 0.00 C ATOM 1614 OH TYR A 106 4.673 4.893 -7.650 1.00 0.00 O ATOM 0 H TYR A 106 9.360 1.330 -2.075 1.00 0.00 H new ATOM 0 HA TYR A 106 7.910 0.614 -4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.395 2.465 -2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.761 3.370 -3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.421 2.014 -4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.583 4.627 -5.415 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.983 2.985 -5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.146 5.600 -7.150 1.00 0.00 H new ATOM 0 HH TYR A 106 5.166 5.590 -8.131 1.00 0.00 H new ATOM 1624 N ASN A 107 10.774 2.110 -4.987 1.00 0.00 N ATOM 1625 CA ASN A 107 11.743 2.400 -6.042 1.00 0.00 C ATOM 1626 C ASN A 107 12.117 1.126 -6.794 1.00 0.00 C ATOM 1627 O ASN A 107 12.226 1.123 -8.020 1.00 0.00 O ATOM 1628 CB ASN A 107 13.000 3.049 -5.450 1.00 0.00 C ATOM 1629 CG ASN A 107 14.035 3.410 -6.506 1.00 0.00 C ATOM 1630 OD1 ASN A 107 14.000 4.500 -7.077 1.00 0.00 O ATOM 1631 ND2 ASN A 107 14.978 2.511 -6.755 1.00 0.00 N ATOM 0 H ASN A 107 11.090 2.353 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 107 11.284 3.096 -6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.715 3.949 -4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.448 2.367 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.707 2.713 -7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.974 1.618 -6.262 1.00 0.00 H new ATOM 1638 N VAL A 108 12.284 0.041 -6.052 1.00 0.00 N ATOM 1639 CA VAL A 108 12.683 -1.233 -6.631 1.00 0.00 C ATOM 1640 C VAL A 108 11.562 -1.824 -7.482 1.00 0.00 C ATOM 1641 O VAL A 108 11.779 -2.225 -8.625 1.00 0.00 O ATOM 1642 CB VAL A 108 13.072 -2.245 -5.533 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.569 -3.549 -6.143 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.123 -1.650 -4.609 1.00 0.00 C ATOM 0 H VAL A 108 12.148 0.018 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 108 13.550 -1.041 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 108 12.181 -2.467 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.836 -4.244 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.782 -3.986 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.445 -3.351 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.386 -2.377 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.012 -1.394 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.726 -0.751 -4.137 1.00 0.00 H new ATOM 1654 N LEU A 109 10.358 -1.853 -6.924 1.00 0.00 N ATOM 1655 CA LEU A 109 9.217 -2.462 -7.597 1.00 0.00 C ATOM 1656 C LEU A 109 8.812 -1.669 -8.835 1.00 0.00 C ATOM 1657 O LEU A 109 8.439 -2.249 -9.858 1.00 0.00 O ATOM 1658 CB LEU A 109 8.036 -2.581 -6.631 1.00 0.00 C ATOM 1659 CG LEU A 109 8.317 -3.403 -5.372 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.079 -3.475 -4.495 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.792 -4.800 -5.738 1.00 0.00 C ATOM 0 H LEU A 109 10.146 -1.462 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 109 9.512 -3.459 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.727 -1.579 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.195 -3.029 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 109 9.109 -2.908 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.298 -4.064 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.782 -2.468 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.267 -3.945 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.986 -5.368 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.023 -5.304 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.708 -4.731 -6.325 1.00 0.00 H new ATOM 1673 N ALA A 110 8.900 -0.346 -8.744 1.00 0.00 N ATOM 1674 CA ALA A 110 8.577 0.518 -9.872 1.00 0.00 C ATOM 1675 C ALA A 110 9.572 0.316 -11.008 1.00 0.00 C ATOM 1676 O ALA A 110 9.191 0.259 -12.177 1.00 0.00 O ATOM 1677 CB ALA A 110 8.551 1.978 -9.440 1.00 0.00 C ATOM 0 H ALA A 110 9.192 0.150 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 110 7.585 0.248 -10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 110 8.308 2.607 -10.297 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.797 2.115 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.529 2.259 -9.049 1.00 0.00 H new ATOM 1683 N SER A 111 10.846 0.187 -10.655 1.00 0.00 N ATOM 1684 CA SER A 111 11.895 -0.041 -11.641 1.00 0.00 C ATOM 1685 C SER A 111 11.782 -1.443 -12.234 1.00 0.00 C ATOM 1686 O SER A 111 12.200 -1.689 -13.366 1.00 0.00 O ATOM 1687 CB SER A 111 13.272 0.152 -11.003 1.00 0.00 C ATOM 1688 OG SER A 111 13.389 1.443 -10.428 1.00 0.00 O ATOM 0 H SER A 111 11.177 0.237 -9.692 1.00 0.00 H new ATOM 0 HA SER A 111 11.774 0.685 -12.445 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.432 -0.607 -10.237 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.048 0.013 -11.756 1.00 0.00 H new ATOM 0 HG SER A 111 12.780 1.517 -9.663 1.00 0.00 H new ATOM 1694 N GLU A 112 11.208 -2.359 -11.463 1.00 0.00 N ATOM 1695 CA GLU A 112 10.989 -3.721 -11.924 1.00 0.00 C ATOM 1696 C GLU A 112 9.818 -3.762 -12.906 1.00 0.00 C ATOM 1697 O GLU A 112 9.626 -4.739 -13.633 1.00 0.00 O ATOM 1698 CB GLU A 112 10.724 -4.644 -10.728 1.00 0.00 C ATOM 1699 CG GLU A 112 10.680 -6.121 -11.086 1.00 0.00 C ATOM 1700 CD GLU A 112 11.962 -6.595 -11.738 1.00 0.00 C ATOM 1701 OE1 GLU A 112 12.894 -7.000 -11.009 1.00 0.00 O ATOM 1702 OE2 GLU A 112 12.046 -6.568 -12.984 1.00 0.00 O ATOM 0 H GLU A 112 10.885 -2.180 -10.512 1.00 0.00 H new ATOM 0 HA GLU A 112 11.883 -4.070 -12.440 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.501 -4.485 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.776 -4.363 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.496 -6.705 -10.184 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.843 -6.304 -11.760 1.00 0.00 H new ATOM 1709 N GLY A 113 9.036 -2.691 -12.919 1.00 0.00 N ATOM 1710 CA GLY A 113 7.929 -2.591 -13.847 1.00 0.00 C ATOM 1711 C GLY A 113 6.666 -3.232 -13.314 1.00 0.00 C ATOM 1712 O GLY A 113 5.684 -3.378 -14.043 1.00 0.00 O ATOM 0 H GLY A 113 9.150 -1.888 -12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.735 -1.541 -14.065 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.204 -3.066 -14.789 1.00 0.00 H new ATOM 1716 N ARG A 114 6.684 -3.618 -12.046 1.00 0.00 N ATOM 1717 CA ARG A 114 5.521 -4.237 -11.432 1.00 0.00 C ATOM 1718 C ARG A 114 4.541 -3.183 -10.947 1.00 0.00 C ATOM 1719 O ARG A 114 4.932 -2.202 -10.315 1.00 0.00 O ATOM 1720 CB ARG A 114 5.920 -5.159 -10.277 1.00 0.00 C ATOM 1721 CG ARG A 114 6.259 -6.571 -10.724 1.00 0.00 C ATOM 1722 CD ARG A 114 6.429 -7.512 -9.542 1.00 0.00 C ATOM 1723 NE ARG A 114 6.391 -8.914 -9.960 1.00 0.00 N ATOM 1724 CZ ARG A 114 6.430 -9.952 -9.122 1.00 0.00 C ATOM 1725 NH1 ARG A 114 6.542 -9.756 -7.815 1.00 0.00 N ATOM 1726 NH2 ARG A 114 6.354 -11.190 -9.595 1.00 0.00 N ATOM 0 H ARG A 114 7.487 -3.514 -11.426 1.00 0.00 H new ATOM 0 HA ARG A 114 5.034 -4.844 -12.196 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.780 -4.732 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 114 5.104 -5.200 -9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.470 -6.945 -11.376 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.177 -6.556 -11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.377 -7.305 -9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.640 -7.328 -8.813 1.00 0.00 H new ATOM 0 HE ARG A 114 6.331 -9.111 -10.959 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.599 -8.807 -7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.571 -10.554 -7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.266 -11.348 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.384 -11.983 -8.955 1.00 0.00 H new ATOM 1740 N ARG A 115 3.271 -3.386 -11.267 1.00 0.00 N ATOM 1741 CA ARG A 115 2.222 -2.468 -10.852 1.00 0.00 C ATOM 1742 C ARG A 115 2.022 -2.552 -9.342 1.00 0.00 C ATOM 1743 O ARG A 115 1.339 -3.447 -8.832 1.00 0.00 O ATOM 1744 CB ARG A 115 0.920 -2.771 -11.601 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.185 -1.746 -11.373 1.00 0.00 C ATOM 1746 CD ARG A 115 0.296 -0.324 -11.640 1.00 0.00 C ATOM 1747 NE ARG A 115 1.028 -0.207 -12.903 1.00 0.00 N ATOM 1748 CZ ARG A 115 1.220 0.939 -13.554 1.00 0.00 C ATOM 1749 NH1 ARG A 115 0.641 2.059 -13.138 1.00 0.00 N ATOM 1750 NH2 ARG A 115 1.978 0.962 -14.640 1.00 0.00 N ATOM 0 H ARG A 115 2.942 -4.181 -11.815 1.00 0.00 H new ATOM 0 HA ARG A 115 2.521 -1.450 -11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.133 -2.828 -12.669 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.558 -3.753 -11.295 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.030 -1.972 -12.024 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.544 -1.821 -10.347 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.561 0.349 -11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 115 0.938 -0.001 -10.820 1.00 0.00 H new ATOM 0 HE ARG A 115 1.416 -1.058 -13.310 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.042 2.047 -12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.795 2.931 -13.644 1.00 0.00 H new ATOM 0 HH21 ARG A 115 2.413 0.103 -14.976 1.00 0.00 H new ATOM 0 HH22 ARG A 115 2.126 1.839 -15.140 1.00 0.00 H new ATOM 1764 N VAL A 116 2.650 -1.629 -8.639 1.00 0.00 N ATOM 1765 CA VAL A 116 2.624 -1.614 -7.191 1.00 0.00 C ATOM 1766 C VAL A 116 1.622 -0.589 -6.669 1.00 0.00 C ATOM 1767 O VAL A 116 1.474 0.499 -7.230 1.00 0.00 O ATOM 1768 CB VAL A 116 4.035 -1.319 -6.620 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.589 -0.012 -7.172 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.017 -1.295 -5.097 1.00 0.00 C ATOM 0 H VAL A 116 3.191 -0.871 -9.055 1.00 0.00 H new ATOM 0 HA VAL A 116 2.309 -2.602 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 116 4.694 -2.127 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.579 0.169 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.660 -0.076 -8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.925 0.808 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.020 -1.086 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.333 -0.519 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.685 -2.263 -4.722 1.00 0.00 H new ATOM 1780 N ALA A 117 0.909 -0.964 -5.620 1.00 0.00 N ATOM 1781 CA ALA A 117 0.017 -0.050 -4.934 1.00 0.00 C ATOM 1782 C ALA A 117 0.646 0.386 -3.621 1.00 0.00 C ATOM 1783 O ALA A 117 0.834 -0.429 -2.713 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.334 -0.703 -4.687 1.00 0.00 C ATOM 0 H ALA A 117 0.933 -1.904 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.143 0.827 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.989 -0.001 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.782 -0.984 -5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.201 -1.593 -4.072 1.00 0.00 H new ATOM 1790 N LEU A 118 0.997 1.657 -3.529 1.00 0.00 N ATOM 1791 CA LEU A 118 1.622 2.183 -2.331 1.00 0.00 C ATOM 1792 C LEU A 118 0.560 2.646 -1.343 1.00 0.00 C ATOM 1793 O LEU A 118 0.042 3.758 -1.442 1.00 0.00 O ATOM 1794 CB LEU A 118 2.566 3.336 -2.679 1.00 0.00 C ATOM 1795 CG LEU A 118 3.332 3.941 -1.498 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.238 2.900 -0.857 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.143 5.145 -1.952 1.00 0.00 C ATOM 0 H LEU A 118 0.859 2.343 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 118 2.207 1.388 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.288 2.982 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.986 4.126 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 118 2.609 4.272 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.773 3.349 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.636 2.066 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.955 2.538 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.681 5.563 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.856 4.836 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.474 5.900 -2.364 1.00 0.00 H new ATOM 1809 N ALA A 119 0.215 1.773 -0.413 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.731 2.111 0.632 1.00 0.00 C ATOM 1811 C ALA A 119 0.019 2.662 1.833 1.00 0.00 C ATOM 1812 O ALA A 119 0.437 1.917 2.722 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.565 0.898 1.022 1.00 0.00 C ATOM 0 H ALA A 119 0.578 0.821 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.415 2.873 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.267 1.177 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.116 0.541 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.909 0.107 1.386 1.00 0.00 H new ATOM 1819 N MET A 120 0.222 3.966 1.833 1.00 0.00 N ATOM 1820 CA MET A 120 0.994 4.606 2.878 1.00 0.00 C ATOM 1821 C MET A 120 0.073 5.238 3.905 1.00 0.00 C ATOM 1822 O MET A 120 -0.639 6.202 3.618 1.00 0.00 O ATOM 1823 CB MET A 120 1.945 5.650 2.287 1.00 0.00 C ATOM 1824 CG MET A 120 2.782 6.370 3.332 1.00 0.00 C ATOM 1825 SD MET A 120 4.059 7.420 2.611 1.00 0.00 S ATOM 1826 CE MET A 120 5.074 6.196 1.789 1.00 0.00 C ATOM 0 H MET A 120 -0.137 4.602 1.121 1.00 0.00 H new ATOM 0 HA MET A 120 1.595 3.846 3.377 1.00 0.00 H new ATOM 0 HB2 MET A 120 2.610 5.162 1.574 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.364 6.385 1.730 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.128 6.979 3.956 1.00 0.00 H new ATOM 0 HG3 MET A 120 3.251 5.633 3.985 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.094 6.253 2.170 1.00 0.00 H new ATOM 0 HE2 MET A 120 4.671 5.201 1.980 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.077 6.387 0.716 1.00 0.00 H new ATOM 1836 N ILE A 121 0.076 4.668 5.094 1.00 0.00 N ATOM 1837 CA ILE A 121 -0.727 5.170 6.188 1.00 0.00 C ATOM 1838 C ILE A 121 0.068 6.185 6.991 1.00 0.00 C ATOM 1839 O ILE A 121 1.059 5.843 7.648 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.196 4.024 7.109 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.121 3.076 6.334 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -1.893 4.576 8.346 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.594 1.884 7.138 1.00 0.00 C ATOM 0 H ILE A 121 0.634 3.846 5.327 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.610 5.650 5.767 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.324 3.462 7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.990 3.635 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.598 2.719 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.215 3.751 8.981 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.202 5.211 8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.761 5.161 8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.243 1.263 6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.733 1.299 7.462 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.147 2.230 8.011 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.347 7.435 6.907 1.00 0.00 N ATOM 1856 CA VAL A 122 0.290 8.501 7.653 1.00 0.00 C ATOM 1857 C VAL A 122 -0.468 8.749 8.949 1.00 0.00 C ATOM 1858 O VAL A 122 -1.683 8.949 8.939 1.00 0.00 O ATOM 1859 CB VAL A 122 0.357 9.806 6.832 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.031 10.913 7.625 1.00 0.00 C ATOM 1861 CG2 VAL A 122 1.084 9.573 5.516 1.00 0.00 C ATOM 0 H VAL A 122 -1.128 7.737 6.325 1.00 0.00 H new ATOM 0 HA VAL A 122 1.311 8.190 7.876 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.663 10.120 6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.066 11.822 7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.466 11.103 8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.046 10.610 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.121 10.504 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.099 9.230 5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.554 8.818 4.936 1.00 0.00 H new ATOM 1871 N GLY A 123 0.251 8.715 10.059 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.368 8.918 11.351 1.00 0.00 C ATOM 1873 C GLY A 123 -0.542 10.380 11.679 1.00 0.00 C ATOM 1874 O GLY A 123 0.146 10.922 12.548 1.00 0.00 O ATOM 0 H GLY A 123 1.257 8.550 10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -1.341 8.426 11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.241 8.445 12.121 1.00 0.00 H new ATOM 1878 N GLY A 124 -1.451 11.016 10.969 1.00 0.00 N ATOM 1879 CA GLY A 124 -1.757 12.407 11.219 1.00 0.00 C ATOM 1880 C GLY A 124 -2.600 12.577 12.466 1.00 0.00 C ATOM 1881 O GLY A 124 -3.598 11.879 12.646 1.00 0.00 O ATOM 0 H GLY A 124 -1.990 10.591 10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -0.830 12.970 11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -2.286 12.824 10.362 1.00 0.00 H new ATOM 1885 N LEU A 125 -2.196 13.493 13.330 1.00 0.00 N ATOM 1886 CA LEU A 125 -2.908 13.724 14.577 1.00 0.00 C ATOM 1887 C LEU A 125 -4.153 14.572 14.342 1.00 0.00 C ATOM 1888 O LEU A 125 -4.078 15.799 14.242 1.00 0.00 O ATOM 1889 CB LEU A 125 -1.991 14.388 15.607 1.00 0.00 C ATOM 1890 CG LEU A 125 -0.765 13.564 16.010 1.00 0.00 C ATOM 1891 CD1 LEU A 125 0.071 14.317 17.033 1.00 0.00 C ATOM 1892 CD2 LEU A 125 -1.188 12.208 16.561 1.00 0.00 C ATOM 0 H LEU A 125 -1.380 14.089 13.192 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.224 12.758 14.971 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -1.652 15.343 15.207 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -2.573 14.606 16.502 1.00 0.00 H new ATOM 0 HG LEU A 125 -0.156 13.399 15.121 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.938 13.716 17.308 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.405 15.262 16.605 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.530 14.513 17.921 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.303 11.637 16.842 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.820 12.352 17.437 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.744 11.663 15.798 1.00 0.00 H new ATOM 1904 N GLU A 126 -5.287 13.896 14.223 1.00 0.00 N ATOM 1905 CA GLU A 126 -6.567 14.557 14.022 1.00 0.00 C ATOM 1906 C GLU A 126 -7.039 15.217 15.316 1.00 0.00 C ATOM 1907 O GLU A 126 -6.843 14.677 16.405 1.00 0.00 O ATOM 1908 CB GLU A 126 -7.604 13.542 13.528 1.00 0.00 C ATOM 1909 CG GLU A 126 -9.005 14.113 13.361 1.00 0.00 C ATOM 1910 CD GLU A 126 -9.085 15.208 12.317 1.00 0.00 C ATOM 1911 OE1 GLU A 126 -8.664 16.349 12.611 1.00 0.00 O ATOM 1912 OE2 GLU A 126 -9.581 14.929 11.208 1.00 0.00 O ATOM 0 H GLU A 126 -5.345 12.878 14.263 1.00 0.00 H new ATOM 0 HA GLU A 126 -6.447 15.335 13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.273 13.137 12.572 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -7.644 12.709 14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -9.687 13.309 13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.346 14.508 14.318 1.00 0.00 H new ATOM 1919 N HIS A 127 -7.681 16.375 15.170 1.00 0.00 N ATOM 1920 CA HIS A 127 -8.161 17.172 16.297 1.00 0.00 C ATOM 1921 C HIS A 127 -7.002 17.647 17.163 1.00 0.00 C ATOM 1922 O HIS A 127 -6.782 17.149 18.267 1.00 0.00 O ATOM 1923 CB HIS A 127 -9.187 16.406 17.144 1.00 0.00 C ATOM 1924 CG HIS A 127 -10.401 15.978 16.377 1.00 0.00 C ATOM 1925 ND1 HIS A 127 -10.868 14.744 16.080 1.00 0.00 N flip ATOM 1926 CD2 HIS A 127 -11.276 16.864 15.791 1.00 0.00 C flip ATOM 1927 CE1 HIS A 127 -12.003 14.904 15.324 1.00 0.00 C flip ATOM 1928 NE2 HIS A 127 -12.226 16.196 15.167 1.00 0.00 N flip ATOM 0 H HIS A 127 -7.884 16.789 14.260 1.00 0.00 H new ATOM 0 HA HIS A 127 -8.663 18.045 15.881 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -8.708 15.525 17.570 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -9.498 17.035 17.978 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -11.197 17.940 15.835 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -12.612 14.106 14.924 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -13.003 16.608 14.650 1.00 0.00 H new ATOM 1937 N HIS A 128 -6.253 18.604 16.639 1.00 0.00 N ATOM 1938 CA HIS A 128 -5.130 19.183 17.366 1.00 0.00 C ATOM 1939 C HIS A 128 -5.572 20.428 18.125 1.00 0.00 C ATOM 1940 O HIS A 128 -6.581 21.047 17.787 1.00 0.00 O ATOM 1941 CB HIS A 128 -3.952 19.498 16.429 1.00 0.00 C ATOM 1942 CG HIS A 128 -4.338 20.015 15.073 1.00 0.00 C ATOM 1943 ND1 HIS A 128 -4.535 21.348 14.792 1.00 0.00 N ATOM 1944 CD2 HIS A 128 -4.538 19.357 13.907 1.00 0.00 C ATOM 1945 CE1 HIS A 128 -4.839 21.488 13.517 1.00 0.00 C ATOM 1946 NE2 HIS A 128 -4.845 20.295 12.954 1.00 0.00 N ATOM 0 H HIS A 128 -6.402 18.999 15.710 1.00 0.00 H new ATOM 0 HA HIS A 128 -4.782 18.444 18.087 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -3.310 20.234 16.912 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -3.358 18.593 16.300 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -4.469 18.290 13.755 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -5.048 22.422 13.017 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -5.045 20.102 11.973 1.00 0.00 H new ATOM 1955 N HIS A 129 -4.806 20.796 19.143 1.00 0.00 N ATOM 1956 CA HIS A 129 -5.203 21.861 20.058 1.00 0.00 C ATOM 1957 C HIS A 129 -4.908 23.225 19.459 1.00 0.00 C ATOM 1958 O HIS A 129 -3.846 23.438 18.868 1.00 0.00 O ATOM 1959 CB HIS A 129 -4.467 21.740 21.398 1.00 0.00 C ATOM 1960 CG HIS A 129 -4.540 20.384 22.029 1.00 0.00 C ATOM 1961 ND1 HIS A 129 -5.549 19.995 22.883 1.00 0.00 N ATOM 1962 CD2 HIS A 129 -3.706 19.322 21.930 1.00 0.00 C ATOM 1963 CE1 HIS A 129 -5.328 18.758 23.285 1.00 0.00 C ATOM 1964 NE2 HIS A 129 -4.217 18.326 22.721 1.00 0.00 N ATOM 0 H HIS A 129 -3.903 20.372 19.358 1.00 0.00 H new ATOM 0 HA HIS A 129 -6.275 21.760 20.225 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -3.419 22.000 21.247 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -4.880 22.472 22.092 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -2.805 19.269 21.337 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -5.952 18.194 23.962 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -3.805 17.402 22.852 1.00 0.00 H new ATOM 1973 N HIS A 130 -5.846 24.150 19.618 1.00 0.00 N ATOM 1974 CA HIS A 130 -5.650 25.524 19.170 1.00 0.00 C ATOM 1975 C HIS A 130 -4.850 26.289 20.212 1.00 0.00 C ATOM 1976 O HIS A 130 -4.342 27.378 19.954 1.00 0.00 O ATOM 1977 CB HIS A 130 -6.990 26.214 18.900 1.00 0.00 C ATOM 1978 CG HIS A 130 -7.732 25.632 17.734 1.00 0.00 C ATOM 1979 ND1 HIS A 130 -9.055 25.255 17.793 1.00 0.00 N ATOM 1980 CD2 HIS A 130 -7.323 25.364 16.472 1.00 0.00 C ATOM 1981 CE1 HIS A 130 -9.427 24.777 16.617 1.00 0.00 C ATOM 1982 NE2 HIS A 130 -8.392 24.833 15.800 1.00 0.00 N ATOM 0 H HIS A 130 -6.751 23.974 20.054 1.00 0.00 H new ATOM 0 HA HIS A 130 -5.095 25.511 18.232 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -7.614 26.143 19.791 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -6.815 27.274 18.718 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -6.336 25.537 16.069 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -10.410 24.405 16.368 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -8.389 24.530 14.826 1.00 0.00 H new ATOM 1991 N HIS A 131 -4.757 25.708 21.397 1.00 0.00 N ATOM 1992 CA HIS A 131 -3.858 26.197 22.427 1.00 0.00 C ATOM 1993 C HIS A 131 -2.825 25.117 22.712 1.00 0.00 C ATOM 1994 O HIS A 131 -3.108 24.156 23.425 1.00 0.00 O ATOM 1995 CB HIS A 131 -4.627 26.553 23.704 1.00 0.00 C ATOM 1996 CG HIS A 131 -3.794 27.247 24.740 1.00 0.00 C ATOM 1997 ND1 HIS A 131 -3.062 26.576 25.697 1.00 0.00 N ATOM 1998 CD2 HIS A 131 -3.582 28.565 24.966 1.00 0.00 C ATOM 1999 CE1 HIS A 131 -2.441 27.450 26.465 1.00 0.00 C ATOM 2000 NE2 HIS A 131 -2.739 28.661 26.043 1.00 0.00 N ATOM 0 H HIS A 131 -5.300 24.889 21.670 1.00 0.00 H new ATOM 0 HA HIS A 131 -3.365 27.105 22.080 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -5.471 27.192 23.442 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -5.039 25.641 24.135 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -3.999 29.387 24.403 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -1.797 27.213 27.299 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -2.398 29.531 26.452 1.00 0.00 H new ATOM 2009 N HIS A 132 -1.650 25.256 22.117 1.00 0.00 N ATOM 2010 CA HIS A 132 -0.612 24.243 22.236 1.00 0.00 C ATOM 2011 C HIS A 132 -0.002 24.268 23.633 1.00 0.00 C ATOM 2012 O HIS A 132 0.779 25.196 23.926 1.00 0.00 O ATOM 2013 CB HIS A 132 0.477 24.460 21.180 1.00 0.00 C ATOM 2014 CG HIS A 132 1.372 23.273 20.984 1.00 0.00 C ATOM 2015 ND1 HIS A 132 2.538 23.075 21.692 1.00 0.00 N ATOM 2016 CD2 HIS A 132 1.266 22.218 20.143 1.00 0.00 C ATOM 2017 CE1 HIS A 132 3.108 21.955 21.294 1.00 0.00 C ATOM 2018 NE2 HIS A 132 2.359 21.413 20.355 1.00 0.00 N ATOM 2019 OXT HIS A 132 -0.312 23.362 24.434 1.00 0.00 O ATOM 0 H HIS A 132 -1.391 26.061 21.546 1.00 0.00 H new ATOM 0 HA HIS A 132 -1.067 23.266 22.070 1.00 0.00 H new ATOM 0 HB2 HIS A 132 0.005 24.709 20.230 1.00 0.00 H new ATOM 0 HB3 HIS A 132 1.084 25.318 21.468 1.00 0.00 H new ATOM 0 HD2 HIS A 132 0.469 22.041 19.436 1.00 0.00 H new ATOM 0 HE1 HIS A 132 4.034 21.549 21.674 1.00 0.00 H new ATOM 0 HE2 HIS A 132 2.558 20.540 19.866 1.00 0.00 H new TER 2028 HIS A 132