USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1037 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 133 SER OG : rot -45:sc= 1.31 USER MOD Set 1.2: A 134 HIS : no HD1:sc= -0.008 X(o=1.3,f=1.2) USER MOD Set 2.1: A 121 GLN : amide:sc= 0.814 K(o=1.5,f=-0.13) USER MOD Set 2.2: A 125 ASN : amide:sc= 0.729 K(o=1.5,f=-1.6!) USER MOD Set 3.1: A 4 THR OG1 : rot 180:sc= 0.55 USER MOD Set 3.2: A 104 SER OG : rot 91:sc= 0.602 USER MOD Set 4.1: A 8 THR OG1 : rot -76:sc= 0.494 USER MOD Set 4.2: A 100 THR OG1 : rot 180:sc= 0.448 USER MOD Set 5.1: A 61 SER OG : rot -79:sc= 0.946 USER MOD Set 5.2: A 62 MET CE :methyl 162:sc= -0.0335 (180deg=-0.362) USER MOD Set 6.1: A 37 HIS : no HE2:sc= -0.866 K(o=-0.74,f=-3.5) USER MOD Set 6.2: A 39 THR OG1 : rot -150:sc= 0.129 USER MOD Set 7.1: A 20 TYR OH : rot 141:sc= 2.02 USER MOD Set 7.2: A 21 THR OG1 : rot 96:sc= 1.67 USER MOD Set 7.3: A 70 TYR OH : rot -1:sc= 0.0449 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.508 (180deg=-0.512) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.152) USER MOD Single : A 2 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.075) USER MOD Single : A 7 THR OG1 : rot 160:sc= -0.17 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 0.767 (180deg=0.721) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.17) USER MOD Single : A 30 ASN : amide:sc= -0.833 K(o=-0.83,f=-3.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0.996 (180deg=0.886) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 144:sc= 0.562 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-0.00225 X(o=-0.0023,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0.752 (180deg=0.742) USER MOD Single : A 81 TYR OH : rot 168:sc= -1.76! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.16) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.19) USER MOD Single : A 116 GLN : amide:sc= -0.665 K(o=-0.67,f=-2.1!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 126 ASN : amide:sc= 0.0611 K(o=0.061,f=-1.3) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.045 X(o=-0.045,f=-0.014) USER MOD Single : A 137 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-2.6!) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.750 13.804 13.411 1.00 0.00 N ATOM 2 CA MET A 1 -0.973 14.084 12.208 1.00 0.00 C ATOM 3 C MET A 1 -1.356 13.132 11.079 1.00 0.00 C ATOM 4 O MET A 1 -1.239 11.915 11.216 1.00 0.00 O ATOM 5 CB MET A 1 0.521 13.980 12.507 1.00 0.00 C ATOM 6 CG MET A 1 1.037 15.010 13.504 1.00 0.00 C ATOM 7 SD MET A 1 0.854 16.703 12.911 1.00 0.00 S ATOM 8 CE MET A 1 2.049 16.725 11.577 1.00 0.00 C ATOM 0 H1 MET A 1 -1.599 14.563 14.106 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.760 13.753 13.168 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.446 12.896 13.817 1.00 0.00 H new ATOM 0 HA MET A 1 -1.197 15.101 11.886 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.734 12.982 12.891 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.074 14.087 11.574 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.500 14.899 14.446 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.089 14.814 13.712 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.067 17.715 11.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.038 16.489 11.970 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.771 15.985 10.827 1.00 0.00 H new ATOM 20 N ASN A 2 -1.814 13.695 9.966 1.00 0.00 N ATOM 21 CA ASN A 2 -2.078 12.910 8.766 1.00 0.00 C ATOM 22 C ASN A 2 -0.931 13.040 7.768 1.00 0.00 C ATOM 23 O ASN A 2 -0.531 14.147 7.407 1.00 0.00 O ATOM 24 CB ASN A 2 -3.391 13.308 8.116 1.00 0.00 C ATOM 25 CG ASN A 2 -4.597 13.037 8.972 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.916 11.883 9.282 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.314 14.085 9.285 1.00 0.00 N ATOM 0 H ASN A 2 -2.010 14.691 9.870 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.158 11.867 9.071 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.359 14.371 7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.497 12.770 7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.182 13.971 9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.006 15.016 9.005 1.00 0.00 H new ATOM 34 N ILE A 3 -0.407 11.901 7.326 1.00 0.00 N ATOM 35 CA ILE A 3 0.668 11.887 6.342 1.00 0.00 C ATOM 36 C ILE A 3 0.163 11.402 4.986 1.00 0.00 C ATOM 37 O ILE A 3 -0.463 10.347 4.886 1.00 0.00 O ATOM 38 CB ILE A 3 1.838 10.995 6.795 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.337 11.429 8.175 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.967 11.043 5.778 1.00 0.00 C ATOM 41 CD1 ILE A 3 2.867 12.845 8.216 1.00 0.00 C ATOM 0 H ILE A 3 -0.710 10.977 7.634 1.00 0.00 H new ATOM 0 HA ILE A 3 1.024 12.913 6.249 1.00 0.00 H new ATOM 0 HB ILE A 3 1.483 9.967 6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.521 11.336 8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.124 10.747 8.497 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.786 10.407 6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.603 10.688 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.322 12.069 5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.202 13.079 9.227 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.705 12.940 7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.077 13.538 7.926 1.00 0.00 H new ATOM 53 N THR A 4 0.444 12.178 3.944 1.00 0.00 N ATOM 54 CA THR A 4 -0.037 11.863 2.605 1.00 0.00 C ATOM 55 C THR A 4 1.122 11.716 1.626 1.00 0.00 C ATOM 56 O THR A 4 2.062 12.511 1.637 1.00 0.00 O ATOM 57 CB THR A 4 -1.003 12.942 2.083 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.124 13.053 2.972 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.499 12.587 0.691 1.00 0.00 C ATOM 0 H THR A 4 1.003 13.030 4.002 1.00 0.00 H new ATOM 0 HA THR A 4 -0.571 10.916 2.677 1.00 0.00 H new ATOM 0 HB THR A 4 -0.471 13.892 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.738 13.741 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.181 13.361 0.339 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.651 12.513 0.010 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.022 11.631 0.724 1.00 0.00 H new ATOM 67 N VAL A 5 1.048 10.695 0.777 1.00 0.00 N ATOM 68 CA VAL A 5 2.019 10.522 -0.297 1.00 0.00 C ATOM 69 C VAL A 5 1.322 10.291 -1.634 1.00 0.00 C ATOM 70 O VAL A 5 0.171 9.861 -1.678 1.00 0.00 O ATOM 71 CB VAL A 5 2.970 9.345 -0.014 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.804 9.621 1.228 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.186 8.052 0.150 1.00 0.00 C ATOM 0 H VAL A 5 0.326 9.976 0.813 1.00 0.00 H new ATOM 0 HA VAL A 5 2.602 11.442 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 5 3.642 9.235 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.471 8.779 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.395 10.525 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.145 9.758 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.875 7.231 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.490 8.152 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.630 7.845 -0.765 1.00 0.00 H new ATOM 83 N GLU A 6 2.031 10.579 -2.721 1.00 0.00 N ATOM 84 CA GLU A 6 1.452 10.484 -4.056 1.00 0.00 C ATOM 85 C GLU A 6 2.516 10.113 -5.085 1.00 0.00 C ATOM 86 O GLU A 6 3.650 10.587 -5.022 1.00 0.00 O ATOM 87 CB GLU A 6 0.778 11.803 -4.445 1.00 0.00 C ATOM 88 CG GLU A 6 0.085 11.780 -5.800 1.00 0.00 C ATOM 89 CD GLU A 6 -0.568 13.098 -6.102 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.531 13.965 -5.262 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.009 13.281 -7.213 1.00 0.00 O ATOM 0 H GLU A 6 3.006 10.880 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 6 0.698 9.697 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.046 12.062 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.529 12.593 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.811 11.545 -6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.665 10.989 -5.814 1.00 0.00 H new ATOM 98 N THR A 7 2.141 9.258 -6.033 1.00 0.00 N ATOM 99 CA THR A 7 3.054 8.841 -7.089 1.00 0.00 C ATOM 100 C THR A 7 2.302 8.551 -8.383 1.00 0.00 C ATOM 101 O THR A 7 1.215 7.970 -8.366 1.00 0.00 O ATOM 102 CB THR A 7 3.858 7.593 -6.681 1.00 0.00 C ATOM 103 OG1 THR A 7 4.922 7.379 -7.618 1.00 0.00 O ATOM 104 CG2 THR A 7 2.959 6.367 -6.652 1.00 0.00 C ATOM 0 H THR A 7 1.212 8.842 -6.090 1.00 0.00 H new ATOM 0 HA THR A 7 3.745 9.668 -7.252 1.00 0.00 H new ATOM 0 HB THR A 7 4.269 7.754 -5.684 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.608 6.811 -7.209 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.544 5.494 -6.362 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.156 6.522 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.532 6.205 -7.642 1.00 0.00 H new ATOM 112 N THR A 8 2.887 8.956 -9.507 1.00 0.00 N ATOM 113 CA THR A 8 2.306 8.678 -10.814 1.00 0.00 C ATOM 114 C THR A 8 3.038 7.537 -11.510 1.00 0.00 C ATOM 115 O THR A 8 4.253 7.588 -11.695 1.00 0.00 O ATOM 116 CB THR A 8 2.334 9.922 -11.721 1.00 0.00 C ATOM 117 OG1 THR A 8 1.546 10.965 -11.132 1.00 0.00 O ATOM 118 CG2 THR A 8 1.780 9.591 -13.099 1.00 0.00 C ATOM 0 H THR A 8 3.763 9.478 -9.537 1.00 0.00 H new ATOM 0 HA THR A 8 1.269 8.389 -10.642 1.00 0.00 H new ATOM 0 HB THR A 8 3.367 10.252 -11.826 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.595 10.772 -11.266 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.808 10.482 -13.726 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.384 8.807 -13.556 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.750 9.246 -13.004 1.00 0.00 H new ATOM 126 N VAL A 9 2.290 6.508 -11.896 1.00 0.00 N ATOM 127 CA VAL A 9 2.882 5.307 -12.472 1.00 0.00 C ATOM 128 C VAL A 9 2.457 5.128 -13.926 1.00 0.00 C ATOM 129 O VAL A 9 1.270 5.197 -14.249 1.00 0.00 O ATOM 130 CB VAL A 9 2.494 4.048 -11.675 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.107 2.807 -12.308 1.00 0.00 C ATOM 132 CG2 VAL A 9 2.936 4.177 -10.226 1.00 0.00 C ATOM 0 H VAL A 9 1.273 6.482 -11.820 1.00 0.00 H new ATOM 0 HA VAL A 9 3.963 5.435 -12.425 1.00 0.00 H new ATOM 0 HB VAL A 9 1.409 3.948 -11.697 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.823 1.926 -11.732 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.745 2.704 -13.331 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.193 2.901 -12.315 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.653 3.278 -9.678 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.018 4.302 -10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.454 5.044 -9.774 1.00 0.00 H new ATOM 142 N ALA A 10 3.432 4.898 -14.798 1.00 0.00 N ATOM 143 CA ALA A 10 3.164 4.758 -16.225 1.00 0.00 C ATOM 144 C ALA A 10 2.765 3.326 -16.569 1.00 0.00 C ATOM 145 O ALA A 10 3.526 2.594 -17.199 1.00 0.00 O ATOM 146 CB ALA A 10 4.383 5.177 -17.033 1.00 0.00 C ATOM 0 H ALA A 10 4.415 4.804 -14.542 1.00 0.00 H new ATOM 0 HA ALA A 10 2.330 5.412 -16.481 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.170 5.068 -18.096 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.623 6.218 -16.816 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.231 4.546 -16.766 1.00 0.00 H new ATOM 152 N ALA A 11 1.566 2.935 -16.150 1.00 0.00 N ATOM 153 CA ALA A 11 1.065 1.592 -16.416 1.00 0.00 C ATOM 154 C ALA A 11 -0.457 1.584 -16.515 1.00 0.00 C ATOM 155 O ALA A 11 -1.134 2.532 -16.117 1.00 0.00 O ATOM 156 CB ALA A 11 1.530 0.631 -15.332 1.00 0.00 C ATOM 0 H ALA A 11 0.924 3.529 -15.625 1.00 0.00 H new ATOM 0 HA ALA A 11 1.467 1.264 -17.374 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.149 -0.368 -15.543 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.620 0.606 -15.310 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.155 0.965 -14.364 1.00 0.00 H new ATOM 162 N PRO A 12 -1.008 0.488 -17.057 1.00 0.00 N ATOM 163 CA PRO A 12 -2.457 0.330 -17.222 1.00 0.00 C ATOM 164 C PRO A 12 -3.181 0.198 -15.886 1.00 0.00 C ATOM 165 O PRO A 12 -2.627 -0.322 -14.917 1.00 0.00 O ATOM 166 CB PRO A 12 -2.597 -0.936 -18.073 1.00 0.00 C ATOM 167 CG PRO A 12 -1.355 -1.711 -17.790 1.00 0.00 C ATOM 168 CD PRO A 12 -0.270 -0.682 -17.625 1.00 0.00 C ATOM 0 HA PRO A 12 -2.914 1.202 -17.691 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.489 -1.501 -17.801 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.683 -0.695 -19.133 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.465 -2.314 -16.888 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.125 -2.397 -18.606 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.517 -1.028 -16.955 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.205 -0.438 -18.576 1.00 0.00 H new ATOM 176 N VAL A 13 -4.423 0.668 -15.842 1.00 0.00 N ATOM 177 CA VAL A 13 -5.159 0.768 -14.587 1.00 0.00 C ATOM 178 C VAL A 13 -5.305 -0.598 -13.926 1.00 0.00 C ATOM 179 O VAL A 13 -5.319 -0.709 -12.702 1.00 0.00 O ATOM 180 CB VAL A 13 -6.557 1.379 -14.797 1.00 0.00 C ATOM 181 CG1 VAL A 13 -6.442 2.827 -15.248 1.00 0.00 C ATOM 182 CG2 VAL A 13 -7.346 0.567 -15.813 1.00 0.00 C ATOM 0 H VAL A 13 -4.941 0.986 -16.661 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.582 1.425 -13.936 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.090 1.354 -13.847 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.439 3.244 -15.392 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.914 3.404 -14.489 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.891 2.873 -16.187 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.331 1.013 -15.949 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.816 0.561 -16.765 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.457 -0.456 -15.454 1.00 0.00 H new ATOM 192 N GLY A 14 -5.413 -1.639 -14.748 1.00 0.00 N ATOM 193 CA GLY A 14 -5.555 -2.985 -14.225 1.00 0.00 C ATOM 194 C GLY A 14 -4.350 -3.422 -13.416 1.00 0.00 C ATOM 195 O GLY A 14 -4.492 -4.015 -12.347 1.00 0.00 O ATOM 0 H GLY A 14 -5.405 -1.573 -15.766 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.447 -3.037 -13.600 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.705 -3.679 -15.052 1.00 0.00 H new ATOM 199 N LYS A 15 -3.159 -3.130 -13.928 1.00 0.00 N ATOM 200 CA LYS A 15 -1.923 -3.527 -13.264 1.00 0.00 C ATOM 201 C LYS A 15 -1.648 -2.641 -12.053 1.00 0.00 C ATOM 202 O LYS A 15 -1.183 -3.116 -11.017 1.00 0.00 O ATOM 203 CB LYS A 15 -0.746 -3.468 -14.240 1.00 0.00 C ATOM 204 CG LYS A 15 -0.810 -4.492 -15.365 1.00 0.00 C ATOM 205 CD LYS A 15 0.473 -4.496 -16.184 1.00 0.00 C ATOM 206 CE LYS A 15 0.313 -5.308 -17.461 1.00 0.00 C ATOM 207 NZ LYS A 15 1.618 -5.545 -18.136 1.00 0.00 N ATOM 0 H LYS A 15 -3.024 -2.620 -14.801 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.040 -4.554 -12.919 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.701 -2.470 -14.676 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.180 -3.615 -13.683 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.980 -5.484 -14.947 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.657 -4.270 -16.014 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.750 -3.472 -16.434 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.286 -4.909 -15.587 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.153 -6.265 -17.227 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.358 -4.785 -18.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.453 -5.966 -19.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.121 -4.641 -18.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.193 -6.194 -17.562 1.00 0.00 H new ATOM 221 N VAL A 16 -1.941 -1.352 -12.189 1.00 0.00 N ATOM 222 CA VAL A 16 -1.658 -0.387 -11.132 1.00 0.00 C ATOM 223 C VAL A 16 -2.592 -0.587 -9.942 1.00 0.00 C ATOM 224 O VAL A 16 -2.146 -0.675 -8.798 1.00 0.00 O ATOM 225 CB VAL A 16 -1.790 1.061 -11.640 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.654 2.043 -10.486 1.00 0.00 C ATOM 227 CG2 VAL A 16 -0.746 1.348 -12.707 1.00 0.00 C ATOM 0 H VAL A 16 -2.374 -0.951 -13.021 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.629 -0.557 -10.815 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.778 1.182 -12.083 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.750 3.062 -10.862 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.437 1.852 -9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.678 1.920 -10.016 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.854 2.375 -13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.251 1.210 -12.288 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.885 0.665 -13.545 1.00 0.00 H new ATOM 237 N TRP A 17 -3.889 -0.657 -10.221 1.00 0.00 N ATOM 238 CA TRP A 17 -4.895 -0.704 -9.166 1.00 0.00 C ATOM 239 C TRP A 17 -4.763 -1.982 -8.346 1.00 0.00 C ATOM 240 O TRP A 17 -4.860 -1.956 -7.118 1.00 0.00 O ATOM 241 CB TRP A 17 -6.300 -0.604 -9.761 1.00 0.00 C ATOM 242 CG TRP A 17 -6.588 0.723 -10.397 1.00 0.00 C ATOM 243 CD1 TRP A 17 -5.772 1.815 -10.408 1.00 0.00 C ATOM 244 CD2 TRP A 17 -7.772 1.096 -11.112 1.00 0.00 C ATOM 245 NE1 TRP A 17 -6.374 2.847 -11.086 1.00 0.00 N ATOM 246 CE2 TRP A 17 -7.604 2.429 -11.529 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.959 0.430 -11.442 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -8.570 3.109 -12.253 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -9.928 1.112 -12.168 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.739 2.413 -12.562 1.00 0.00 C ATOM 0 H TRP A 17 -4.268 -0.682 -11.168 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.731 0.148 -8.506 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.427 -1.390 -10.506 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.033 -0.788 -8.975 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.795 1.862 -9.950 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.973 3.773 -11.236 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.118 -0.594 -11.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.424 4.133 -12.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -10.848 0.608 -12.427 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.515 2.910 -13.125 1.00 0.00 H new ATOM 261 N ARG A 18 -4.542 -3.100 -9.029 1.00 0.00 N ATOM 262 CA ARG A 18 -4.472 -4.398 -8.371 1.00 0.00 C ATOM 263 C ARG A 18 -3.230 -4.496 -7.490 1.00 0.00 C ATOM 264 O ARG A 18 -3.231 -5.193 -6.475 1.00 0.00 O ATOM 265 CB ARG A 18 -4.549 -5.551 -9.361 1.00 0.00 C ATOM 266 CG ARG A 18 -5.917 -5.765 -9.988 1.00 0.00 C ATOM 267 CD ARG A 18 -5.965 -6.859 -10.992 1.00 0.00 C ATOM 268 NE ARG A 18 -7.276 -7.076 -11.583 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.533 -7.958 -12.569 1.00 0.00 C ATOM 270 NH1 ARG A 18 -6.571 -8.677 -13.103 1.00 0.00 N ATOM 271 NH2 ARG A 18 -8.778 -8.063 -13.002 1.00 0.00 N ATOM 0 H ARG A 18 -4.408 -3.132 -10.040 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.348 -4.482 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.824 -5.377 -10.156 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.251 -6.468 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.636 -5.981 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.235 -4.837 -10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.254 -6.637 -11.788 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.636 -7.784 -10.519 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.055 -6.522 -11.227 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.612 -8.572 -12.772 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.783 -9.340 -13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.511 -7.486 -12.591 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.005 -8.721 -13.747 1.00 0.00 H new ATOM 285 N ALA A 19 -2.175 -3.791 -7.884 1.00 0.00 N ATOM 286 CA ALA A 19 -0.872 -3.947 -7.248 1.00 0.00 C ATOM 287 C ALA A 19 -0.851 -3.282 -5.874 1.00 0.00 C ATOM 288 O ALA A 19 0.088 -3.467 -5.101 1.00 0.00 O ATOM 289 CB ALA A 19 0.220 -3.367 -8.134 1.00 0.00 C ATOM 0 H ALA A 19 -2.197 -3.107 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.685 -5.012 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.187 -3.490 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.227 -3.888 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.029 -2.307 -8.299 1.00 0.00 H new ATOM 295 N TYR A 20 -1.890 -2.509 -5.579 1.00 0.00 N ATOM 296 CA TYR A 20 -1.920 -1.700 -4.367 1.00 0.00 C ATOM 297 C TYR A 20 -1.803 -2.577 -3.123 1.00 0.00 C ATOM 298 O TYR A 20 -1.340 -2.128 -2.074 1.00 0.00 O ATOM 299 CB TYR A 20 -3.204 -0.870 -4.309 1.00 0.00 C ATOM 300 CG TYR A 20 -4.354 -1.567 -3.615 1.00 0.00 C ATOM 301 CD1 TYR A 20 -5.019 -2.620 -4.225 1.00 0.00 C ATOM 302 CD2 TYR A 20 -4.772 -1.168 -2.355 1.00 0.00 C ATOM 303 CE1 TYR A 20 -6.069 -3.260 -3.596 1.00 0.00 C ATOM 304 CE2 TYR A 20 -5.821 -1.801 -1.716 1.00 0.00 C ATOM 305 CZ TYR A 20 -6.468 -2.848 -2.342 1.00 0.00 C ATOM 306 OH TYR A 20 -7.514 -3.482 -1.712 1.00 0.00 O ATOM 0 H TYR A 20 -2.722 -2.426 -6.163 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.065 -1.024 -4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.996 0.068 -3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.506 -0.615 -5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.711 -2.945 -5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.269 -0.348 -1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.575 -4.080 -4.084 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.133 -1.479 -0.733 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.314 -3.573 -0.757 1.00 0.00 H new ATOM 316 N THR A 21 -2.226 -3.830 -3.249 1.00 0.00 N ATOM 317 CA THR A 21 -1.996 -4.823 -2.208 1.00 0.00 C ATOM 318 C THR A 21 -1.711 -6.194 -2.809 1.00 0.00 C ATOM 319 O THR A 21 -2.528 -7.110 -2.708 1.00 0.00 O ATOM 320 CB THR A 21 -3.200 -4.930 -1.254 1.00 0.00 C ATOM 321 OG1 THR A 21 -3.570 -3.623 -0.797 1.00 0.00 O ATOM 322 CG2 THR A 21 -2.857 -5.803 -0.056 1.00 0.00 C ATOM 0 H THR A 21 -2.730 -4.182 -4.063 1.00 0.00 H new ATOM 0 HA THR A 21 -1.126 -4.490 -1.642 1.00 0.00 H new ATOM 0 HB THR A 21 -4.032 -5.383 -1.794 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.295 -3.274 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.720 -5.867 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.588 -6.802 -0.399 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.017 -5.366 0.484 1.00 0.00 H new ATOM 330 N THR A 22 -0.545 -6.332 -3.433 1.00 0.00 N ATOM 331 CA THR A 22 -0.066 -7.634 -3.882 1.00 0.00 C ATOM 332 C THR A 22 1.091 -8.121 -3.016 1.00 0.00 C ATOM 333 O THR A 22 2.064 -7.405 -2.778 1.00 0.00 O ATOM 334 CB THR A 22 0.386 -7.593 -5.353 1.00 0.00 C ATOM 335 OG1 THR A 22 -0.724 -7.239 -6.188 1.00 0.00 O ATOM 336 CG2 THR A 22 0.927 -8.949 -5.782 1.00 0.00 C ATOM 0 H THR A 22 0.086 -5.557 -3.639 1.00 0.00 H new ATOM 0 HA THR A 22 -0.902 -8.327 -3.790 1.00 0.00 H new ATOM 0 HB THR A 22 1.176 -6.849 -5.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.434 -7.212 -7.124 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.242 -8.902 -6.824 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.780 -9.215 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.148 -9.703 -5.672 1.00 0.00 H new ATOM 344 N PRO A 23 0.986 -9.369 -2.535 1.00 0.00 N ATOM 345 CA PRO A 23 1.977 -9.951 -1.627 1.00 0.00 C ATOM 346 C PRO A 23 3.337 -10.133 -2.292 1.00 0.00 C ATOM 347 O PRO A 23 4.375 -10.011 -1.643 1.00 0.00 O ATOM 348 CB PRO A 23 1.372 -11.311 -1.268 1.00 0.00 C ATOM 349 CG PRO A 23 0.378 -11.580 -2.344 1.00 0.00 C ATOM 350 CD PRO A 23 -0.181 -10.238 -2.736 1.00 0.00 C ATOM 0 HA PRO A 23 2.166 -9.311 -0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.136 -12.087 -1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.897 -11.286 -0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.848 -12.071 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.411 -12.243 -1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.531 -10.224 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.024 -9.945 -2.110 1.00 0.00 H new ATOM 358 N GLU A 24 3.323 -10.424 -3.588 1.00 0.00 N ATOM 359 CA GLU A 24 4.553 -10.494 -4.368 1.00 0.00 C ATOM 360 C GLU A 24 5.241 -9.133 -4.425 1.00 0.00 C ATOM 361 O GLU A 24 6.469 -9.046 -4.422 1.00 0.00 O ATOM 362 CB GLU A 24 4.263 -10.999 -5.784 1.00 0.00 C ATOM 363 CG GLU A 24 3.867 -12.467 -5.859 1.00 0.00 C ATOM 364 CD GLU A 24 3.517 -12.867 -7.266 1.00 0.00 C ATOM 365 OE1 GLU A 24 3.517 -12.015 -8.123 1.00 0.00 O ATOM 366 OE2 GLU A 24 3.359 -14.039 -7.507 1.00 0.00 O ATOM 0 H GLU A 24 2.474 -10.615 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 24 5.224 -11.197 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.463 -10.397 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.148 -10.842 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.687 -13.086 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.015 -12.650 -5.204 1.00 0.00 H new ATOM 373 N ASP A 25 4.441 -8.075 -4.476 1.00 0.00 N ATOM 374 CA ASP A 25 4.964 -6.716 -4.399 1.00 0.00 C ATOM 375 C ASP A 25 5.424 -6.389 -2.982 1.00 0.00 C ATOM 376 O ASP A 25 6.424 -5.698 -2.788 1.00 0.00 O ATOM 377 CB ASP A 25 3.910 -5.706 -4.859 1.00 0.00 C ATOM 378 CG ASP A 25 3.636 -5.720 -6.357 1.00 0.00 C ATOM 379 OD1 ASP A 25 4.378 -6.353 -7.071 1.00 0.00 O ATOM 380 OD2 ASP A 25 2.606 -5.233 -6.756 1.00 0.00 O ATOM 0 H ASP A 25 3.427 -8.132 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 25 5.825 -6.649 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.978 -5.905 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.233 -4.706 -4.570 1.00 0.00 H new ATOM 385 N ILE A 26 4.687 -6.890 -1.996 1.00 0.00 N ATOM 386 CA ILE A 26 5.033 -6.671 -0.598 1.00 0.00 C ATOM 387 C ILE A 26 6.382 -7.294 -0.260 1.00 0.00 C ATOM 388 O ILE A 26 7.116 -6.794 0.592 1.00 0.00 O ATOM 389 CB ILE A 26 3.961 -7.245 0.347 1.00 0.00 C ATOM 390 CG1 ILE A 26 2.670 -6.429 0.247 1.00 0.00 C ATOM 391 CG2 ILE A 26 4.471 -7.269 1.779 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.483 -7.081 0.921 1.00 0.00 C ATOM 0 H ILE A 26 3.847 -7.450 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 26 5.089 -5.592 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 26 3.745 -8.270 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.836 -5.448 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.435 -6.266 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.700 -7.678 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.364 -7.892 1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.715 -6.255 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.606 -6.444 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.290 -8.050 0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.697 -7.219 1.981 1.00 0.00 H new ATOM 404 N LYS A 27 6.705 -8.391 -0.936 1.00 0.00 N ATOM 405 CA LYS A 27 8.017 -9.015 -0.803 1.00 0.00 C ATOM 406 C LYS A 27 9.126 -8.036 -1.176 1.00 0.00 C ATOM 407 O LYS A 27 10.251 -8.144 -0.691 1.00 0.00 O ATOM 408 CB LYS A 27 8.106 -10.270 -1.672 1.00 0.00 C ATOM 409 CG LYS A 27 7.292 -11.449 -1.160 1.00 0.00 C ATOM 410 CD LYS A 27 7.362 -12.630 -2.118 1.00 0.00 C ATOM 411 CE LYS A 27 6.503 -13.789 -1.635 1.00 0.00 C ATOM 412 NZ LYS A 27 6.538 -14.938 -2.579 1.00 0.00 N ATOM 0 H LYS A 27 6.076 -8.867 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 27 8.149 -9.302 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.771 -10.024 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.151 -10.571 -1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.662 -11.751 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.253 -11.146 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.030 -12.317 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.396 -12.959 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.851 -14.114 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.474 -13.451 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.940 -15.706 -2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.182 -14.635 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.516 -15.277 -2.677 1.00 0.00 H new ATOM 426 N GLN A 28 8.798 -7.079 -2.038 1.00 0.00 N ATOM 427 CA GLN A 28 9.726 -6.010 -2.382 1.00 0.00 C ATOM 428 C GLN A 28 9.651 -4.874 -1.367 1.00 0.00 C ATOM 429 O GLN A 28 10.524 -4.008 -1.322 1.00 0.00 O ATOM 430 CB GLN A 28 9.431 -5.471 -3.785 1.00 0.00 C ATOM 431 CG GLN A 28 9.557 -6.508 -4.888 1.00 0.00 C ATOM 432 CD GLN A 28 10.946 -7.113 -4.958 1.00 0.00 C ATOM 433 OE1 GLN A 28 11.952 -6.398 -4.933 1.00 0.00 O ATOM 434 NE2 GLN A 28 11.010 -8.436 -5.054 1.00 0.00 N ATOM 0 H GLN A 28 7.896 -7.023 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 28 10.733 -6.426 -2.365 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.421 -5.061 -3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.112 -4.647 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.827 -7.300 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.316 -6.047 -5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.153 -8.988 -5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.917 -8.900 -5.110 1.00 0.00 H new ATOM 443 N TRP A 29 8.600 -4.884 -0.553 1.00 0.00 N ATOM 444 CA TRP A 29 8.446 -3.896 0.507 1.00 0.00 C ATOM 445 C TRP A 29 8.988 -4.429 1.830 1.00 0.00 C ATOM 446 O TRP A 29 8.579 -3.984 2.903 1.00 0.00 O ATOM 447 CB TRP A 29 6.976 -3.501 0.662 1.00 0.00 C ATOM 448 CG TRP A 29 6.376 -2.927 -0.587 1.00 0.00 C ATOM 449 CD1 TRP A 29 7.051 -2.471 -1.679 1.00 0.00 C ATOM 450 CD2 TRP A 29 4.983 -2.749 -0.871 1.00 0.00 C ATOM 451 NE1 TRP A 29 6.166 -2.018 -2.626 1.00 0.00 N ATOM 452 CE2 TRP A 29 4.888 -2.180 -2.153 1.00 0.00 C ATOM 453 CE3 TRP A 29 3.806 -3.018 -0.162 1.00 0.00 C ATOM 454 CZ2 TRP A 29 3.672 -1.872 -2.742 1.00 0.00 C ATOM 455 CZ3 TRP A 29 2.586 -2.711 -0.753 1.00 0.00 C ATOM 456 CH2 TRP A 29 2.521 -2.155 -2.006 1.00 0.00 C ATOM 0 H TRP A 29 7.843 -5.565 -0.608 1.00 0.00 H new ATOM 0 HA TRP A 29 9.020 -3.012 0.230 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.402 -4.378 0.962 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.887 -2.771 1.467 1.00 0.00 H new ATOM 0 HD1 TRP A 29 8.126 -2.466 -1.784 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.417 -1.625 -3.533 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.845 -3.455 0.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.618 -1.432 -3.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.671 -2.914 -0.216 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.555 -1.931 -2.433 1.00 0.00 H new ATOM 467 N ASN A 30 9.907 -5.384 1.746 1.00 0.00 N ATOM 468 CA ASN A 30 10.332 -6.142 2.918 1.00 0.00 C ATOM 469 C ASN A 30 11.056 -5.241 3.914 1.00 0.00 C ATOM 470 O ASN A 30 11.380 -4.094 3.609 1.00 0.00 O ATOM 471 CB ASN A 30 11.211 -7.316 2.531 1.00 0.00 C ATOM 472 CG ASN A 30 12.537 -6.914 1.948 1.00 0.00 C ATOM 473 OD1 ASN A 30 13.271 -6.102 2.523 1.00 0.00 O ATOM 474 ND2 ASN A 30 12.810 -7.414 0.768 1.00 0.00 N ATOM 0 H ASN A 30 10.372 -5.652 0.879 1.00 0.00 H new ATOM 0 HA ASN A 30 9.435 -6.537 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.384 -7.934 3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.679 -7.934 1.808 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.662 -7.136 0.281 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.171 -8.081 0.337 1.00 0.00 H new ATOM 481 N ALA A 31 11.307 -5.772 5.107 1.00 0.00 N ATOM 482 CA ALA A 31 11.809 -4.963 6.212 1.00 0.00 C ATOM 483 C ALA A 31 13.330 -4.864 6.174 1.00 0.00 C ATOM 484 O ALA A 31 13.894 -3.775 6.293 1.00 0.00 O ATOM 485 CB ALA A 31 11.348 -5.543 7.542 1.00 0.00 C ATOM 0 H ALA A 31 11.171 -6.757 5.333 1.00 0.00 H new ATOM 0 HA ALA A 31 11.404 -3.957 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.730 -4.930 8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.259 -5.555 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.725 -6.560 7.646 1.00 0.00 H new ATOM 491 N ALA A 32 13.989 -6.005 6.007 1.00 0.00 N ATOM 492 CA ALA A 32 15.445 -6.062 6.061 1.00 0.00 C ATOM 493 C ALA A 32 16.041 -6.202 4.665 1.00 0.00 C ATOM 494 O ALA A 32 16.416 -5.211 4.038 1.00 0.00 O ATOM 495 CB ALA A 32 15.895 -7.214 6.947 1.00 0.00 C ATOM 0 H ALA A 32 13.538 -6.903 5.833 1.00 0.00 H new ATOM 0 HA ALA A 32 15.805 -5.126 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 32 16.984 -7.245 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.507 -7.071 7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.517 -8.153 6.543 1.00 0.00 H new ATOM 501 N SER A 33 16.125 -7.438 4.182 1.00 0.00 N ATOM 502 CA SER A 33 16.730 -7.711 2.884 1.00 0.00 C ATOM 503 C SER A 33 16.080 -8.926 2.229 1.00 0.00 C ATOM 504 O SER A 33 15.570 -9.814 2.910 1.00 0.00 O ATOM 505 CB SER A 33 18.224 -7.925 3.036 1.00 0.00 C ATOM 506 OG SER A 33 18.834 -8.263 1.821 1.00 0.00 O ATOM 0 H SER A 33 15.782 -8.265 4.670 1.00 0.00 H new ATOM 0 HA SER A 33 16.565 -6.848 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.681 -7.018 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.404 -8.716 3.764 1.00 0.00 H new ATOM 0 HG SER A 33 19.795 -8.390 1.962 1.00 0.00 H new ATOM 512 N ASP A 34 16.105 -8.957 0.901 1.00 0.00 N ATOM 513 CA ASP A 34 15.446 -10.019 0.149 1.00 0.00 C ATOM 514 C ASP A 34 16.247 -11.315 0.224 1.00 0.00 C ATOM 515 O ASP A 34 15.879 -12.320 -0.385 1.00 0.00 O ATOM 516 CB ASP A 34 15.251 -9.601 -1.311 1.00 0.00 C ATOM 517 CG ASP A 34 16.546 -9.386 -2.083 1.00 0.00 C ATOM 518 OD1 ASP A 34 17.594 -9.553 -1.504 1.00 0.00 O ATOM 519 OD2 ASP A 34 16.481 -9.214 -3.276 1.00 0.00 O ATOM 0 H ASP A 34 16.574 -8.259 0.323 1.00 0.00 H new ATOM 0 HA ASP A 34 14.468 -10.193 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.662 -10.365 -1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.669 -8.680 -1.338 1.00 0.00 H new ATOM 524 N ASP A 35 17.342 -11.285 0.974 1.00 0.00 N ATOM 525 CA ASP A 35 18.175 -12.468 1.161 1.00 0.00 C ATOM 526 C ASP A 35 18.054 -12.997 2.586 1.00 0.00 C ATOM 527 O ASP A 35 18.031 -14.208 2.809 1.00 0.00 O ATOM 528 CB ASP A 35 19.637 -12.154 0.835 1.00 0.00 C ATOM 529 CG ASP A 35 19.885 -11.742 -0.609 1.00 0.00 C ATOM 530 OD1 ASP A 35 19.517 -12.483 -1.491 1.00 0.00 O ATOM 531 OD2 ASP A 35 20.294 -10.626 -0.825 1.00 0.00 O ATOM 0 H ASP A 35 17.675 -10.454 1.463 1.00 0.00 H new ATOM 0 HA ASP A 35 17.823 -13.240 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 35 19.979 -11.354 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.243 -13.032 1.059 1.00 0.00 H new ATOM 536 N TRP A 36 17.980 -12.083 3.546 1.00 0.00 N ATOM 537 CA TRP A 36 18.037 -12.451 4.957 1.00 0.00 C ATOM 538 C TRP A 36 16.666 -12.318 5.611 1.00 0.00 C ATOM 539 O TRP A 36 16.501 -12.618 6.793 1.00 0.00 O ATOM 540 CB TRP A 36 19.059 -11.582 5.695 1.00 0.00 C ATOM 541 CG TRP A 36 20.444 -11.675 5.129 1.00 0.00 C ATOM 542 CD1 TRP A 36 21.057 -10.764 4.323 1.00 0.00 C ATOM 543 CD2 TRP A 36 21.386 -12.737 5.327 1.00 0.00 C ATOM 544 NE1 TRP A 36 22.323 -11.192 4.004 1.00 0.00 N ATOM 545 CE2 TRP A 36 22.549 -12.401 4.611 1.00 0.00 C ATOM 546 CE3 TRP A 36 21.357 -13.940 6.043 1.00 0.00 C ATOM 547 CZ2 TRP A 36 23.667 -13.219 4.586 1.00 0.00 C ATOM 548 CZ3 TRP A 36 22.479 -14.759 6.018 1.00 0.00 C ATOM 549 CH2 TRP A 36 23.602 -14.409 5.312 1.00 0.00 C ATOM 0 H TRP A 36 17.880 -11.082 3.374 1.00 0.00 H new ATOM 0 HA TRP A 36 18.348 -13.494 5.021 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.731 -10.543 5.663 1.00 0.00 H new ATOM 0 HB3 TRP A 36 19.084 -11.876 6.744 1.00 0.00 H new ATOM 0 HD1 TRP A 36 20.613 -9.840 3.984 1.00 0.00 H new ATOM 0 HE1 TRP A 36 22.987 -10.692 3.412 1.00 0.00 H new ATOM 0 HE3 TRP A 36 20.479 -14.226 6.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 24.551 -12.947 4.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 22.467 -15.690 6.565 1.00 0.00 H new ATOM 0 HH2 TRP A 36 24.456 -15.070 5.318 1.00 0.00 H new ATOM 560 N HIS A 37 15.686 -11.867 4.834 1.00 0.00 N ATOM 561 CA HIS A 37 14.347 -11.624 5.356 1.00 0.00 C ATOM 562 C HIS A 37 13.311 -12.448 4.598 1.00 0.00 C ATOM 563 O HIS A 37 13.338 -12.521 3.369 1.00 0.00 O ATOM 564 CB HIS A 37 13.996 -10.134 5.278 1.00 0.00 C ATOM 565 CG HIS A 37 12.740 -9.774 6.008 1.00 0.00 C ATOM 566 ND1 HIS A 37 11.501 -9.777 5.402 1.00 0.00 N ATOM 567 CD2 HIS A 37 12.530 -9.396 7.291 1.00 0.00 C ATOM 568 CE1 HIS A 37 10.582 -9.418 6.283 1.00 0.00 C ATOM 569 NE2 HIS A 37 11.181 -9.182 7.435 1.00 0.00 N ATOM 0 H HIS A 37 15.795 -11.663 3.841 1.00 0.00 H new ATOM 0 HA HIS A 37 14.335 -11.930 6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.823 -9.553 5.687 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.892 -9.848 4.231 1.00 0.00 H new ATOM 0 HD1 HIS A 37 11.322 -10.018 4.427 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.282 -9.284 8.058 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.522 -9.333 6.092 1.00 0.00 H new ATOM 576 N THR A 38 12.397 -13.067 5.339 1.00 0.00 N ATOM 577 CA THR A 38 11.294 -13.804 4.734 1.00 0.00 C ATOM 578 C THR A 38 9.998 -13.003 4.798 1.00 0.00 C ATOM 579 O THR A 38 9.546 -12.619 5.877 1.00 0.00 O ATOM 580 CB THR A 38 11.081 -15.165 5.419 1.00 0.00 C ATOM 581 OG1 THR A 38 12.260 -15.966 5.274 1.00 0.00 O ATOM 582 CG2 THR A 38 9.898 -15.896 4.800 1.00 0.00 C ATOM 0 H THR A 38 12.399 -13.073 6.359 1.00 0.00 H new ATOM 0 HA THR A 38 11.562 -13.973 3.691 1.00 0.00 H new ATOM 0 HB THR A 38 10.877 -14.993 6.476 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.123 -16.832 5.712 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.763 -16.856 5.297 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.996 -15.295 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.086 -16.060 3.739 1.00 0.00 H new ATOM 590 N THR A 39 9.401 -12.759 3.637 1.00 0.00 N ATOM 591 CA THR A 39 8.165 -11.988 3.559 1.00 0.00 C ATOM 592 C THR A 39 7.062 -12.785 2.874 1.00 0.00 C ATOM 593 O THR A 39 7.267 -13.352 1.801 1.00 0.00 O ATOM 594 CB THR A 39 8.374 -10.663 2.803 1.00 0.00 C ATOM 595 OG1 THR A 39 9.365 -9.875 3.477 1.00 0.00 O ATOM 596 CG2 THR A 39 7.072 -9.879 2.731 1.00 0.00 C ATOM 0 H THR A 39 9.753 -13.084 2.736 1.00 0.00 H new ATOM 0 HA THR A 39 7.866 -11.767 4.584 1.00 0.00 H new ATOM 0 HB THR A 39 8.707 -10.889 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.180 -8.923 3.333 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.239 -8.946 2.193 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.320 -10.470 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.723 -9.659 3.740 1.00 0.00 H new ATOM 604 N ALA A 40 5.891 -12.824 3.501 1.00 0.00 N ATOM 605 CA ALA A 40 4.708 -13.401 2.873 1.00 0.00 C ATOM 606 C ALA A 40 3.442 -12.678 3.321 1.00 0.00 C ATOM 607 O ALA A 40 3.339 -12.234 4.463 1.00 0.00 O ATOM 608 CB ALA A 40 4.611 -14.885 3.196 1.00 0.00 C ATOM 0 H ALA A 40 5.736 -12.463 4.442 1.00 0.00 H new ATOM 0 HA ALA A 40 4.803 -13.280 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.724 -15.303 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.498 -15.397 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.542 -15.019 4.276 1.00 0.00 H new ATOM 614 N ALA A 41 2.480 -12.563 2.410 1.00 0.00 N ATOM 615 CA ALA A 41 1.248 -11.837 2.690 1.00 0.00 C ATOM 616 C ALA A 41 0.043 -12.547 2.082 1.00 0.00 C ATOM 617 O ALA A 41 0.133 -13.134 1.002 1.00 0.00 O ATOM 618 CB ALA A 41 1.343 -10.413 2.164 1.00 0.00 C ATOM 0 H ALA A 41 2.531 -12.963 1.473 1.00 0.00 H new ATOM 0 HA ALA A 41 1.112 -11.805 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.416 -9.883 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.175 -9.901 2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.507 -10.433 1.087 1.00 0.00 H new ATOM 624 N THR A 42 -1.087 -12.491 2.781 1.00 0.00 N ATOM 625 CA THR A 42 -2.346 -12.988 2.242 1.00 0.00 C ATOM 626 C THR A 42 -3.434 -11.923 2.317 1.00 0.00 C ATOM 627 O THR A 42 -3.641 -11.304 3.361 1.00 0.00 O ATOM 628 CB THR A 42 -2.823 -14.249 2.986 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.835 -15.280 2.865 1.00 0.00 O ATOM 630 CG2 THR A 42 -4.140 -14.743 2.409 1.00 0.00 C ATOM 0 H THR A 42 -1.155 -12.106 3.723 1.00 0.00 H new ATOM 0 HA THR A 42 -2.162 -13.243 1.199 1.00 0.00 H new ATOM 0 HB THR A 42 -2.970 -13.999 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.139 -16.081 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.461 -15.635 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.897 -13.965 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.008 -14.984 1.354 1.00 0.00 H new ATOM 638 N VAL A 43 -4.130 -11.714 1.204 1.00 0.00 N ATOM 639 CA VAL A 43 -5.088 -10.620 1.095 1.00 0.00 C ATOM 640 C VAL A 43 -6.414 -11.107 0.521 1.00 0.00 C ATOM 641 O VAL A 43 -6.443 -11.846 -0.462 1.00 0.00 O ATOM 642 CB VAL A 43 -4.545 -9.479 0.215 1.00 0.00 C ATOM 643 CG1 VAL A 43 -4.317 -9.965 -1.209 1.00 0.00 C ATOM 644 CG2 VAL A 43 -5.503 -8.297 0.224 1.00 0.00 C ATOM 0 H VAL A 43 -4.048 -12.288 0.365 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.250 -10.240 2.104 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.589 -9.154 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.933 -9.145 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.595 -10.781 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.259 -10.317 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.103 -7.500 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.472 -8.611 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.621 -7.932 1.244 1.00 0.00 H new ATOM 654 N ASP A 44 -7.511 -10.685 1.142 1.00 0.00 N ATOM 655 CA ASP A 44 -8.828 -10.793 0.526 1.00 0.00 C ATOM 656 C ASP A 44 -9.273 -9.452 -0.046 1.00 0.00 C ATOM 657 O ASP A 44 -9.658 -8.545 0.694 1.00 0.00 O ATOM 658 CB ASP A 44 -9.856 -11.303 1.540 1.00 0.00 C ATOM 659 CG ASP A 44 -11.244 -11.542 0.962 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.438 -11.268 -0.198 1.00 0.00 O ATOM 661 OD2 ASP A 44 -12.050 -12.139 1.634 1.00 0.00 O ATOM 0 H ASP A 44 -7.514 -10.265 2.072 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.759 -11.509 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.491 -12.234 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.934 -10.582 2.354 1.00 0.00 H new ATOM 666 N LEU A 45 -9.216 -9.330 -1.368 1.00 0.00 N ATOM 667 CA LEU A 45 -9.435 -8.047 -2.028 1.00 0.00 C ATOM 668 C LEU A 45 -10.925 -7.741 -2.144 1.00 0.00 C ATOM 669 O LEU A 45 -11.554 -8.041 -3.158 1.00 0.00 O ATOM 670 CB LEU A 45 -8.778 -8.044 -3.414 1.00 0.00 C ATOM 671 CG LEU A 45 -7.244 -8.082 -3.410 1.00 0.00 C ATOM 672 CD1 LEU A 45 -6.719 -8.157 -4.838 1.00 0.00 C ATOM 673 CD2 LEU A 45 -6.707 -6.847 -2.702 1.00 0.00 C ATOM 0 H LEU A 45 -9.020 -10.103 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.976 -7.267 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.145 -8.904 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.102 -7.152 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.904 -8.969 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.629 -8.183 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.098 -9.059 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.054 -7.282 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.617 -6.874 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.046 -5.952 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.072 -6.829 -1.675 1.00 0.00 H new ATOM 685 N ARG A 46 -11.483 -7.138 -1.097 1.00 0.00 N ATOM 686 CA ARG A 46 -12.891 -6.763 -1.093 1.00 0.00 C ATOM 687 C ARG A 46 -13.191 -5.791 0.044 1.00 0.00 C ATOM 688 O ARG A 46 -12.427 -5.688 1.002 1.00 0.00 O ATOM 689 CB ARG A 46 -13.810 -7.975 -1.052 1.00 0.00 C ATOM 690 CG ARG A 46 -13.749 -8.780 0.236 1.00 0.00 C ATOM 691 CD ARG A 46 -14.658 -9.954 0.268 1.00 0.00 C ATOM 692 NE ARG A 46 -14.489 -10.816 1.427 1.00 0.00 N ATOM 693 CZ ARG A 46 -15.096 -10.628 2.616 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.879 -9.593 2.820 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.862 -11.500 3.581 1.00 0.00 N ATOM 0 H ARG A 46 -10.980 -6.900 -0.242 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.094 -6.253 -2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.836 -7.640 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.560 -8.631 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.726 -9.124 0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.992 -8.124 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.689 -9.600 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.500 -10.545 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.867 -11.619 1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.035 -8.917 2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.331 -9.466 3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.237 -12.289 3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.307 -11.384 4.492 1.00 0.00 H new ATOM 709 N GLU A 47 -14.309 -5.080 -0.071 1.00 0.00 N ATOM 710 CA GLU A 47 -14.828 -4.291 1.039 1.00 0.00 C ATOM 711 C GLU A 47 -15.190 -5.186 2.221 1.00 0.00 C ATOM 712 O GLU A 47 -16.020 -6.086 2.100 1.00 0.00 O ATOM 713 CB GLU A 47 -16.048 -3.481 0.597 1.00 0.00 C ATOM 714 CG GLU A 47 -16.653 -2.608 1.687 1.00 0.00 C ATOM 715 CD GLU A 47 -17.788 -1.778 1.157 1.00 0.00 C ATOM 716 OE1 GLU A 47 -18.733 -2.345 0.664 1.00 0.00 O ATOM 717 OE2 GLU A 47 -17.763 -0.584 1.345 1.00 0.00 O ATOM 0 H GLU A 47 -14.871 -5.035 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.046 -3.602 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.763 -2.847 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.812 -4.168 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.010 -3.237 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.885 -1.955 2.101 1.00 0.00 H new ATOM 724 N GLY A 48 -14.559 -4.933 3.363 1.00 0.00 N ATOM 725 CA GLY A 48 -14.749 -5.784 4.521 1.00 0.00 C ATOM 726 C GLY A 48 -13.757 -6.930 4.567 1.00 0.00 C ATOM 727 O GLY A 48 -13.717 -7.688 5.536 1.00 0.00 O ATOM 0 H GLY A 48 -13.919 -4.152 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.651 -5.186 5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.763 -6.185 4.511 1.00 0.00 H new ATOM 731 N GLY A 49 -12.953 -7.058 3.516 1.00 0.00 N ATOM 732 CA GLY A 49 -12.026 -8.170 3.423 1.00 0.00 C ATOM 733 C GLY A 49 -10.872 -8.048 4.398 1.00 0.00 C ATOM 734 O GLY A 49 -10.480 -6.942 4.769 1.00 0.00 O ATOM 0 H GLY A 49 -12.927 -6.411 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.560 -9.101 3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.635 -8.228 2.407 1.00 0.00 H new ATOM 738 N ALA A 50 -10.329 -9.186 4.816 1.00 0.00 N ATOM 739 CA ALA A 50 -9.242 -9.202 5.788 1.00 0.00 C ATOM 740 C ALA A 50 -7.887 -9.290 5.094 1.00 0.00 C ATOM 741 O ALA A 50 -7.762 -9.888 4.025 1.00 0.00 O ATOM 742 CB ALA A 50 -9.418 -10.363 6.755 1.00 0.00 C ATOM 0 H ALA A 50 -10.624 -10.109 4.497 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.274 -8.268 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.600 -10.364 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.366 -10.257 7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.414 -11.302 6.201 1.00 0.00 H new ATOM 748 N PHE A 51 -6.874 -8.689 5.708 1.00 0.00 N ATOM 749 CA PHE A 51 -5.505 -8.809 5.222 1.00 0.00 C ATOM 750 C PHE A 51 -4.551 -9.157 6.360 1.00 0.00 C ATOM 751 O PHE A 51 -4.710 -8.684 7.485 1.00 0.00 O ATOM 752 CB PHE A 51 -5.063 -7.512 4.540 1.00 0.00 C ATOM 753 CG PHE A 51 -3.607 -7.487 4.170 1.00 0.00 C ATOM 754 CD1 PHE A 51 -3.130 -8.260 3.123 1.00 0.00 C ATOM 755 CD2 PHE A 51 -2.713 -6.691 4.870 1.00 0.00 C ATOM 756 CE1 PHE A 51 -1.790 -8.237 2.782 1.00 0.00 C ATOM 757 CE2 PHE A 51 -1.375 -6.666 4.532 1.00 0.00 C ATOM 758 CZ PHE A 51 -0.912 -7.440 3.486 1.00 0.00 C ATOM 0 H PHE A 51 -6.975 -8.113 6.544 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.476 -9.617 4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.660 -7.364 3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.274 -6.673 5.204 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.812 -8.887 2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.068 -6.083 5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.431 -8.844 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.690 -6.041 5.086 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.135 -7.421 3.220 1.00 0.00 H new ATOM 768 N SER A 52 -3.558 -9.988 6.060 1.00 0.00 N ATOM 769 CA SER A 52 -2.540 -10.349 7.039 1.00 0.00 C ATOM 770 C SER A 52 -1.182 -10.532 6.369 1.00 0.00 C ATOM 771 O SER A 52 -1.055 -11.272 5.393 1.00 0.00 O ATOM 772 CB SER A 52 -2.943 -11.611 7.775 1.00 0.00 C ATOM 773 OG SER A 52 -1.974 -12.013 8.702 1.00 0.00 O ATOM 0 H SER A 52 -3.437 -10.424 5.146 1.00 0.00 H new ATOM 0 HA SER A 52 -2.455 -9.536 7.760 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.889 -11.443 8.290 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.110 -12.412 7.055 1.00 0.00 H new ATOM 0 HG SER A 52 -2.274 -12.829 9.155 1.00 0.00 H new ATOM 779 N SER A 53 -0.170 -9.853 6.900 1.00 0.00 N ATOM 780 CA SER A 53 1.187 -9.973 6.380 1.00 0.00 C ATOM 781 C SER A 53 2.127 -10.540 7.441 1.00 0.00 C ATOM 782 O SER A 53 2.203 -10.024 8.556 1.00 0.00 O ATOM 783 CB SER A 53 1.684 -8.626 5.896 1.00 0.00 C ATOM 784 OG SER A 53 3.016 -8.679 5.466 1.00 0.00 O ATOM 0 H SER A 53 -0.264 -9.214 7.690 1.00 0.00 H new ATOM 0 HA SER A 53 1.172 -10.664 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.053 -8.280 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.592 -7.896 6.700 1.00 0.00 H new ATOM 0 HG SER A 53 3.297 -7.791 5.161 1.00 0.00 H new ATOM 790 N ARG A 54 2.838 -11.604 7.085 1.00 0.00 N ATOM 791 CA ARG A 54 3.768 -12.244 8.007 1.00 0.00 C ATOM 792 C ARG A 54 5.212 -11.999 7.579 1.00 0.00 C ATOM 793 O ARG A 54 5.629 -12.411 6.497 1.00 0.00 O ATOM 794 CB ARG A 54 3.479 -13.729 8.178 1.00 0.00 C ATOM 795 CG ARG A 54 4.418 -14.457 9.127 1.00 0.00 C ATOM 796 CD ARG A 54 4.063 -15.879 9.367 1.00 0.00 C ATOM 797 NE ARG A 54 5.002 -16.601 10.212 1.00 0.00 N ATOM 798 CZ ARG A 54 4.861 -17.888 10.586 1.00 0.00 C ATOM 799 NH1 ARG A 54 3.807 -18.587 10.227 1.00 0.00 N ATOM 800 NH2 ARG A 54 5.801 -18.423 11.346 1.00 0.00 N ATOM 0 H ARG A 54 2.788 -12.041 6.165 1.00 0.00 H new ATOM 0 HA ARG A 54 3.623 -11.785 8.985 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.457 -13.847 8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.529 -14.209 7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.430 -14.410 8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.430 -13.932 10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.075 -15.921 9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.991 -16.389 8.407 1.00 0.00 H new ATOM 0 HE ARG A 54 5.825 -16.098 10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.080 -18.156 9.656 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.717 -19.560 10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.604 -17.864 11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.723 -19.395 11.646 1.00 0.00 H new ATOM 814 N MET A 55 5.971 -11.324 8.438 1.00 0.00 N ATOM 815 CA MET A 55 7.384 -11.079 8.178 1.00 0.00 C ATOM 816 C MET A 55 8.257 -11.741 9.240 1.00 0.00 C ATOM 817 O MET A 55 7.944 -11.695 10.428 1.00 0.00 O ATOM 818 CB MET A 55 7.660 -9.577 8.125 1.00 0.00 C ATOM 819 CG MET A 55 7.023 -8.861 6.942 1.00 0.00 C ATOM 820 SD MET A 55 7.465 -7.115 6.867 1.00 0.00 S ATOM 821 CE MET A 55 6.823 -6.672 5.254 1.00 0.00 C ATOM 0 H MET A 55 5.631 -10.938 9.319 1.00 0.00 H new ATOM 0 HA MET A 55 7.633 -11.517 7.212 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.299 -9.121 9.047 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.738 -9.419 8.092 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.331 -9.350 6.018 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.939 -8.955 7.006 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.020 -5.617 5.061 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.310 -7.278 4.490 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.748 -6.851 5.229 1.00 0.00 H new ATOM 831 N GLU A 56 9.350 -12.358 8.800 1.00 0.00 N ATOM 832 CA GLU A 56 10.284 -13.000 9.718 1.00 0.00 C ATOM 833 C GLU A 56 11.727 -12.743 9.290 1.00 0.00 C ATOM 834 O GLU A 56 12.017 -12.588 8.105 1.00 0.00 O ATOM 835 CB GLU A 56 10.014 -14.504 9.793 1.00 0.00 C ATOM 836 CG GLU A 56 8.617 -14.868 10.278 1.00 0.00 C ATOM 837 CD GLU A 56 8.450 -16.358 10.391 1.00 0.00 C ATOM 838 OE1 GLU A 56 8.702 -17.040 9.427 1.00 0.00 O ATOM 839 OE2 GLU A 56 8.180 -16.825 11.472 1.00 0.00 O ATOM 0 H GLU A 56 9.610 -12.427 7.816 1.00 0.00 H new ATOM 0 HA GLU A 56 10.137 -12.569 10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.167 -14.938 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.747 -14.960 10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.434 -14.405 11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.874 -14.468 9.588 1.00 0.00 H new ATOM 846 N ALA A 57 12.629 -12.702 10.268 1.00 0.00 N ATOM 847 CA ALA A 57 14.059 -12.717 9.987 1.00 0.00 C ATOM 848 C ALA A 57 14.579 -14.145 9.868 1.00 0.00 C ATOM 849 O ALA A 57 14.302 -14.992 10.718 1.00 0.00 O ATOM 850 CB ALA A 57 14.816 -11.967 11.071 1.00 0.00 C ATOM 0 H ALA A 57 12.394 -12.658 11.260 1.00 0.00 H new ATOM 0 HA ALA A 57 14.223 -12.217 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.883 -11.986 10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.471 -10.934 11.107 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.638 -12.443 12.035 1.00 0.00 H new ATOM 856 N LYS A 58 15.334 -14.409 8.806 1.00 0.00 N ATOM 857 CA LYS A 58 15.854 -15.746 8.549 1.00 0.00 C ATOM 858 C LYS A 58 16.860 -16.154 9.622 1.00 0.00 C ATOM 859 O LYS A 58 17.118 -17.340 9.826 1.00 0.00 O ATOM 860 CB LYS A 58 16.502 -15.813 7.165 1.00 0.00 C ATOM 861 CG LYS A 58 15.516 -15.751 6.006 1.00 0.00 C ATOM 862 CD LYS A 58 16.222 -15.923 4.669 1.00 0.00 C ATOM 863 CE LYS A 58 15.247 -15.801 3.507 1.00 0.00 C ATOM 864 NZ LYS A 58 15.919 -15.989 2.194 1.00 0.00 N ATOM 0 H LYS A 58 15.599 -13.713 8.109 1.00 0.00 H new ATOM 0 HA LYS A 58 15.018 -16.444 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.210 -14.990 7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.075 -16.737 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.763 -16.530 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.992 -14.795 6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.005 -15.171 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.710 -16.897 4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.455 -16.542 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.772 -14.820 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.275 -15.701 1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.781 -15.408 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.172 -16.991 2.074 1.00 0.00 H new ATOM 878 N ASP A 59 17.424 -15.163 10.305 1.00 0.00 N ATOM 879 CA ASP A 59 18.360 -15.420 11.392 1.00 0.00 C ATOM 880 C ASP A 59 17.617 -15.685 12.697 1.00 0.00 C ATOM 881 O ASP A 59 18.229 -15.953 13.730 1.00 0.00 O ATOM 882 CB ASP A 59 19.324 -14.243 11.564 1.00 0.00 C ATOM 883 CG ASP A 59 18.665 -12.954 12.037 1.00 0.00 C ATOM 884 OD1 ASP A 59 17.483 -12.971 12.282 1.00 0.00 O ATOM 885 OD2 ASP A 59 19.372 -12.011 12.300 1.00 0.00 O ATOM 0 H ASP A 59 17.249 -14.175 10.124 1.00 0.00 H new ATOM 0 HA ASP A 59 18.936 -16.309 11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.098 -14.524 12.278 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.821 -14.055 10.613 1.00 0.00 H new ATOM 890 N GLY A 60 16.290 -15.608 12.644 1.00 0.00 N ATOM 891 CA GLY A 60 15.474 -16.052 13.759 1.00 0.00 C ATOM 892 C GLY A 60 15.564 -15.117 14.950 1.00 0.00 C ATOM 893 O GLY A 60 15.182 -15.480 16.062 1.00 0.00 O ATOM 0 H GLY A 60 15.766 -15.246 11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.435 -16.128 13.438 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.788 -17.051 14.060 1.00 0.00 H new ATOM 897 N SER A 61 16.071 -13.910 14.716 1.00 0.00 N ATOM 898 CA SER A 61 16.288 -12.951 15.792 1.00 0.00 C ATOM 899 C SER A 61 14.984 -12.253 16.170 1.00 0.00 C ATOM 900 O SER A 61 14.755 -11.932 17.335 1.00 0.00 O ATOM 901 CB SER A 61 17.335 -11.933 15.383 1.00 0.00 C ATOM 902 OG SER A 61 16.903 -11.133 14.317 1.00 0.00 O ATOM 0 H SER A 61 16.339 -13.574 13.791 1.00 0.00 H new ATOM 0 HA SER A 61 16.648 -13.492 16.667 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.577 -11.300 16.236 1.00 0.00 H new ATOM 0 HB3 SER A 61 18.252 -12.450 15.100 1.00 0.00 H new ATOM 0 HG SER A 61 16.999 -11.628 13.477 1.00 0.00 H new ATOM 908 N MET A 62 14.134 -12.025 15.176 1.00 0.00 N ATOM 909 CA MET A 62 12.896 -11.282 15.384 1.00 0.00 C ATOM 910 C MET A 62 11.898 -11.561 14.265 1.00 0.00 C ATOM 911 O MET A 62 12.274 -12.010 13.183 1.00 0.00 O ATOM 912 CB MET A 62 13.187 -9.785 15.476 1.00 0.00 C ATOM 913 CG MET A 62 13.793 -9.184 14.215 1.00 0.00 C ATOM 914 SD MET A 62 14.351 -7.485 14.454 1.00 0.00 S ATOM 915 CE MET A 62 15.798 -7.745 15.476 1.00 0.00 C ATOM 0 H MET A 62 14.279 -12.344 14.218 1.00 0.00 H new ATOM 0 HA MET A 62 12.453 -11.613 16.323 1.00 0.00 H new ATOM 0 HB2 MET A 62 12.259 -9.260 15.705 1.00 0.00 H new ATOM 0 HB3 MET A 62 13.866 -9.610 16.310 1.00 0.00 H new ATOM 0 HG2 MET A 62 14.635 -9.797 13.893 1.00 0.00 H new ATOM 0 HG3 MET A 62 13.055 -9.211 13.413 1.00 0.00 H new ATOM 0 HE1 MET A 62 16.428 -6.856 15.448 1.00 0.00 H new ATOM 0 HE2 MET A 62 15.488 -7.938 16.503 1.00 0.00 H new ATOM 0 HE3 MET A 62 16.360 -8.600 15.100 1.00 0.00 H new ATOM 925 N GLY A 63 10.623 -11.291 14.532 1.00 0.00 N ATOM 926 CA GLY A 63 9.625 -11.305 13.479 1.00 0.00 C ATOM 927 C GLY A 63 8.685 -10.120 13.559 1.00 0.00 C ATOM 928 O GLY A 63 8.837 -9.252 14.420 1.00 0.00 O ATOM 0 H GLY A 63 10.264 -11.063 15.459 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.123 -11.305 12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.048 -12.228 13.541 1.00 0.00 H new ATOM 932 N PHE A 64 7.709 -10.079 12.657 1.00 0.00 N ATOM 933 CA PHE A 64 6.773 -8.963 12.592 1.00 0.00 C ATOM 934 C PHE A 64 5.416 -9.421 12.066 1.00 0.00 C ATOM 935 O PHE A 64 5.334 -10.125 11.060 1.00 0.00 O ATOM 936 CB PHE A 64 7.332 -7.845 11.711 1.00 0.00 C ATOM 937 CG PHE A 64 6.380 -6.700 11.507 1.00 0.00 C ATOM 938 CD1 PHE A 64 6.115 -5.809 12.535 1.00 0.00 C ATOM 939 CD2 PHE A 64 5.748 -6.514 10.287 1.00 0.00 C ATOM 940 CE1 PHE A 64 5.239 -4.755 12.348 1.00 0.00 C ATOM 941 CE2 PHE A 64 4.873 -5.462 10.097 1.00 0.00 C ATOM 942 CZ PHE A 64 4.618 -4.582 11.130 1.00 0.00 C ATOM 0 H PHE A 64 7.546 -10.807 11.961 1.00 0.00 H new ATOM 0 HA PHE A 64 6.637 -8.577 13.602 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.250 -7.466 12.160 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.600 -8.260 10.739 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.598 -5.939 13.492 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.942 -7.200 9.476 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.042 -4.067 13.157 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.389 -5.328 9.141 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.933 -3.760 10.984 1.00 0.00 H new ATOM 952 N ASP A 65 4.355 -9.016 12.754 1.00 0.00 N ATOM 953 CA ASP A 65 3.004 -9.430 12.389 1.00 0.00 C ATOM 954 C ASP A 65 2.127 -8.220 12.087 1.00 0.00 C ATOM 955 O ASP A 65 1.876 -7.388 12.959 1.00 0.00 O ATOM 956 CB ASP A 65 2.379 -10.269 13.507 1.00 0.00 C ATOM 957 CG ASP A 65 0.991 -10.810 13.187 1.00 0.00 C ATOM 958 OD1 ASP A 65 0.450 -10.439 12.173 1.00 0.00 O ATOM 959 OD2 ASP A 65 0.552 -11.703 13.871 1.00 0.00 O ATOM 0 H ASP A 65 4.403 -8.402 13.567 1.00 0.00 H new ATOM 0 HA ASP A 65 3.070 -10.040 11.488 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.040 -11.107 13.729 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.320 -9.662 14.410 1.00 0.00 H new ATOM 964 N PHE A 66 1.664 -8.127 10.844 1.00 0.00 N ATOM 965 CA PHE A 66 0.793 -7.032 10.433 1.00 0.00 C ATOM 966 C PHE A 66 -0.589 -7.550 10.047 1.00 0.00 C ATOM 967 O PHE A 66 -0.714 -8.493 9.265 1.00 0.00 O ATOM 968 CB PHE A 66 1.414 -6.265 9.264 1.00 0.00 C ATOM 969 CG PHE A 66 0.581 -5.109 8.786 1.00 0.00 C ATOM 970 CD1 PHE A 66 0.644 -3.879 9.424 1.00 0.00 C ATOM 971 CD2 PHE A 66 -0.269 -5.250 7.700 1.00 0.00 C ATOM 972 CE1 PHE A 66 -0.122 -2.816 8.985 1.00 0.00 C ATOM 973 CE2 PHE A 66 -1.036 -4.189 7.259 1.00 0.00 C ATOM 974 CZ PHE A 66 -0.962 -2.970 7.904 1.00 0.00 C ATOM 0 H PHE A 66 1.878 -8.796 10.105 1.00 0.00 H new ATOM 0 HA PHE A 66 0.681 -6.354 11.279 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.394 -5.895 9.564 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.574 -6.953 8.434 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.299 -3.751 10.273 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.332 -6.201 7.192 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.062 -1.863 9.490 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.693 -4.313 6.411 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.561 -2.139 7.562 1.00 0.00 H new ATOM 984 N ALA A 67 -1.623 -6.928 10.603 1.00 0.00 N ATOM 985 CA ALA A 67 -2.995 -7.346 10.343 1.00 0.00 C ATOM 986 C ALA A 67 -3.916 -6.141 10.184 1.00 0.00 C ATOM 987 O ALA A 67 -3.717 -5.108 10.822 1.00 0.00 O ATOM 988 CB ALA A 67 -3.494 -8.249 11.461 1.00 0.00 C ATOM 0 H ALA A 67 -1.537 -6.133 11.236 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.006 -7.905 9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.520 -8.553 11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.860 -9.133 11.525 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.461 -7.709 12.407 1.00 0.00 H new ATOM 994 N GLY A 68 -4.924 -6.280 9.327 1.00 0.00 N ATOM 995 CA GLY A 68 -5.895 -5.216 9.146 1.00 0.00 C ATOM 996 C GLY A 68 -7.105 -5.666 8.351 1.00 0.00 C ATOM 997 O GLY A 68 -7.142 -6.787 7.842 1.00 0.00 O ATOM 0 H GLY A 68 -5.085 -7.109 8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.219 -4.854 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.420 -4.378 8.636 1.00 0.00 H new ATOM 1001 N THR A 69 -8.099 -4.790 8.243 1.00 0.00 N ATOM 1002 CA THR A 69 -9.303 -5.091 7.480 1.00 0.00 C ATOM 1003 C THR A 69 -9.704 -3.914 6.598 1.00 0.00 C ATOM 1004 O THR A 69 -9.449 -2.757 6.935 1.00 0.00 O ATOM 1005 CB THR A 69 -10.480 -5.453 8.404 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.776 -4.344 9.262 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.139 -6.669 9.251 1.00 0.00 C ATOM 0 H THR A 69 -8.093 -3.866 8.675 1.00 0.00 H new ATOM 0 HA THR A 69 -9.071 -5.950 6.850 1.00 0.00 H new ATOM 0 HB THR A 69 -11.348 -5.685 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.526 -4.575 9.848 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.983 -6.910 9.898 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.926 -7.517 8.601 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.263 -6.452 9.863 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.334 -4.215 5.468 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.824 -3.178 4.566 1.00 0.00 C ATOM 1017 C TYR A 70 -12.170 -2.638 5.036 1.00 0.00 C ATOM 1018 O TYR A 70 -13.009 -3.383 5.544 1.00 0.00 O ATOM 1019 CB TYR A 70 -10.941 -3.720 3.139 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.610 -3.965 2.464 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.870 -2.913 1.948 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.100 -5.250 2.344 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.654 -3.132 1.331 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -7.884 -5.481 1.729 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.164 -4.417 1.222 1.00 0.00 C ATOM 1026 OH TYR A 70 -5.953 -4.640 0.608 1.00 0.00 O ATOM 0 H TYR A 70 -10.518 -5.168 5.154 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.105 -2.359 4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.503 -4.654 3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.517 -3.015 2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.250 -1.906 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.663 -6.084 2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.089 -2.301 0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.499 -6.487 1.645 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.584 -3.788 0.294 1.00 0.00 H new ATOM 1036 N THR A 71 -12.371 -1.335 4.864 1.00 0.00 N ATOM 1037 CA THR A 71 -13.596 -0.685 5.310 1.00 0.00 C ATOM 1038 C THR A 71 -14.433 -0.219 4.125 1.00 0.00 C ATOM 1039 O THR A 71 -15.660 -0.148 4.206 1.00 0.00 O ATOM 1040 CB THR A 71 -13.297 0.521 6.220 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.538 1.496 5.492 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.509 0.081 7.444 1.00 0.00 C ATOM 0 H THR A 71 -11.700 -0.709 4.418 1.00 0.00 H new ATOM 0 HA THR A 71 -14.157 -1.427 5.879 1.00 0.00 H new ATOM 0 HB THR A 71 -14.242 0.956 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.814 2.396 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.306 0.945 8.076 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.089 -0.652 8.006 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.567 -0.367 7.128 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.764 0.099 3.022 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.440 0.616 1.836 1.00 0.00 C ATOM 1052 C LYS A 72 -13.653 0.286 0.574 1.00 0.00 C ATOM 1053 O LYS A 72 -12.437 0.474 0.521 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.645 2.128 1.952 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.486 2.735 0.837 1.00 0.00 C ATOM 1056 CD LYS A 72 -15.776 4.206 1.100 1.00 0.00 C ATOM 1057 CE LYS A 72 -16.669 4.797 0.020 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.018 6.216 0.301 1.00 0.00 N ATOM 0 H LYS A 72 -12.753 0.008 2.924 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.416 0.135 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.120 2.346 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.670 2.615 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.963 2.630 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.424 2.188 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.257 4.316 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.839 4.761 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.164 4.732 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.582 4.207 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.627 6.581 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.523 6.276 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.148 6.784 0.350 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.353 -0.204 -0.445 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.758 -0.396 -1.761 1.00 0.00 C ATOM 1074 C VAL A 73 -14.723 0.018 -2.865 1.00 0.00 C ATOM 1075 O VAL A 73 -15.865 -0.437 -2.909 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.334 -1.860 -1.982 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.767 -2.044 -3.382 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.314 -2.284 -0.936 1.00 0.00 C ATOM 0 H VAL A 73 -15.334 -0.475 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.871 0.237 -1.802 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.216 -2.493 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.472 -3.084 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.525 -1.780 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.897 -1.400 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.026 -3.321 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.433 -1.646 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.751 -2.189 0.058 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.255 0.885 -3.758 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.090 1.393 -4.840 1.00 0.00 C ATOM 1090 C VAL A 74 -14.424 1.177 -6.195 1.00 0.00 C ATOM 1091 O VAL A 74 -13.509 1.909 -6.572 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.396 2.892 -4.662 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.257 3.400 -5.809 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.087 3.140 -3.330 1.00 0.00 C ATOM 0 H VAL A 74 -13.303 1.250 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.026 0.835 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.453 3.439 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.463 4.461 -5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.729 3.256 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.196 2.847 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.296 4.204 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.022 2.581 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.439 2.812 -2.517 1.00 0.00 H new ATOM 1104 N GLU A 75 -14.892 0.168 -6.923 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.473 -0.031 -8.307 1.00 0.00 C ATOM 1106 C GLU A 75 -12.954 0.041 -8.432 1.00 0.00 C ATOM 1107 O GLU A 75 -12.425 0.442 -9.468 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.130 1.005 -9.222 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.650 0.943 -9.252 1.00 0.00 C ATOM 1110 CD GLU A 75 -17.219 1.956 -10.206 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -16.457 2.699 -10.779 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -18.402 1.916 -10.449 1.00 0.00 O ATOM 0 H GLU A 75 -15.559 -0.523 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.795 -1.025 -8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.825 2.001 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.753 0.868 -10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.970 -0.057 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.043 1.122 -8.251 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.260 -0.350 -7.369 1.00 0.00 N ATOM 1120 CA ASN A 76 -10.805 -0.261 -7.332 1.00 0.00 C ATOM 1121 C ASN A 76 -10.339 1.166 -7.602 1.00 0.00 C ATOM 1122 O ASN A 76 -9.329 1.387 -8.272 1.00 0.00 O ATOM 1123 CB ASN A 76 -10.165 -1.221 -8.319 1.00 0.00 C ATOM 1124 CG ASN A 76 -10.523 -2.662 -8.082 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -10.209 -3.237 -7.034 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -11.106 -3.269 -9.084 1.00 0.00 N ATOM 0 H ASN A 76 -12.681 -0.731 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.486 -0.546 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.466 -0.943 -9.329 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.082 -1.112 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.322 -4.264 -9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.344 -2.747 -9.927 1.00 0.00 H new ATOM 1133 N LYS A 77 -11.082 2.134 -7.077 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.819 3.540 -7.359 1.00 0.00 C ATOM 1135 C LYS A 77 -10.734 4.348 -6.068 1.00 0.00 C ATOM 1136 O LYS A 77 -9.932 5.276 -5.957 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.902 4.116 -8.271 1.00 0.00 C ATOM 1138 CG LYS A 77 -11.871 3.583 -9.699 1.00 0.00 C ATOM 1139 CD LYS A 77 -13.092 4.035 -10.485 1.00 0.00 C ATOM 1140 CE LYS A 77 -13.115 3.420 -11.876 1.00 0.00 C ATOM 1141 NZ LYS A 77 -14.378 3.727 -12.600 1.00 0.00 N ATOM 0 H LYS A 77 -11.872 1.970 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.858 3.607 -7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.878 3.900 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.798 5.201 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.966 3.929 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.830 2.494 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.997 3.755 -9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.093 5.122 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.268 3.793 -12.451 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.996 2.339 -11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.382 3.234 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.190 3.410 -12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.447 4.753 -12.759 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.563 3.988 -5.094 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.469 4.567 -3.758 1.00 0.00 C ATOM 1157 C ARG A 78 -11.527 3.479 -2.690 1.00 0.00 C ATOM 1158 O ARG A 78 -12.530 2.778 -2.557 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.521 5.640 -3.521 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.420 6.848 -4.439 1.00 0.00 C ATOM 1161 CD ARG A 78 -11.254 7.728 -4.168 1.00 0.00 C ATOM 1162 NE ARG A 78 -11.192 8.919 -4.999 1.00 0.00 N ATOM 1163 CZ ARG A 78 -10.635 8.969 -6.225 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -10.060 7.911 -6.750 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -10.661 10.119 -6.876 1.00 0.00 N ATOM 0 H ARG A 78 -12.307 3.299 -5.204 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.500 5.061 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.508 5.193 -3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.447 5.980 -2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.366 6.501 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.333 7.436 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.279 8.031 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.339 7.152 -4.311 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.599 9.778 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.031 7.035 -6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.643 7.966 -7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.095 10.937 -6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.247 10.188 -7.806 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.445 3.344 -1.931 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.303 2.238 -0.992 1.00 0.00 C ATOM 1181 C ILE A 79 -9.808 2.728 0.365 1.00 0.00 C ATOM 1182 O ILE A 79 -8.814 3.449 0.450 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.336 1.166 -1.525 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.876 0.558 -2.823 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -9.113 0.085 -0.480 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.937 -0.435 -3.468 1.00 0.00 C ATOM 0 H ILE A 79 -9.653 3.987 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.292 1.795 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.378 1.639 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.825 0.064 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.083 1.361 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.427 -0.665 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.687 0.530 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.065 -0.387 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.388 -0.822 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.995 0.058 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.749 -1.258 -2.779 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.509 2.331 1.422 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.101 2.674 2.781 1.00 0.00 C ATOM 1200 C GLU A 80 -9.795 1.417 3.590 1.00 0.00 C ATOM 1201 O GLU A 80 -10.563 0.455 3.578 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.186 3.499 3.476 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.778 4.061 4.830 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.894 4.854 5.451 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.907 4.276 5.761 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.692 6.016 5.719 1.00 0.00 O ATOM 0 H GLU A 80 -11.361 1.773 1.365 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.192 3.273 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.471 4.325 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.071 2.876 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.495 3.245 5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.899 4.696 4.713 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.666 1.433 4.291 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.166 0.238 4.960 1.00 0.00 C ATOM 1215 C TYR A 81 -7.681 0.566 6.369 1.00 0.00 C ATOM 1216 O TYR A 81 -7.042 1.593 6.595 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.035 -0.397 4.148 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.332 -1.531 4.859 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.901 -2.795 4.922 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.099 -1.336 5.464 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -6.262 -3.835 5.572 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.452 -2.368 6.115 1.00 0.00 C ATOM 1223 CZ TYR A 81 -5.038 -3.617 6.167 1.00 0.00 C ATOM 1224 OH TYR A 81 -4.396 -4.648 6.814 1.00 0.00 O ATOM 0 H TYR A 81 -8.081 2.260 4.410 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.987 -0.475 5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.441 -0.767 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -6.304 0.372 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.859 -2.970 4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.637 -0.361 5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.719 -4.812 5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.493 -2.199 6.581 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.472 -4.387 7.009 1.00 0.00 H new ATOM 1234 N ALA A 82 -7.992 -0.316 7.314 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.692 -0.068 8.718 1.00 0.00 C ATOM 1236 C ALA A 82 -6.754 -1.132 9.276 1.00 0.00 C ATOM 1237 O ALA A 82 -6.915 -2.322 9.003 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.977 -0.017 9.531 1.00 0.00 C ATOM 0 H ALA A 82 -8.451 -1.208 7.132 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.189 0.896 8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.738 0.169 10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.613 0.785 9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.502 -0.968 9.442 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.770 -0.696 10.057 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.776 -1.606 10.612 1.00 0.00 C ATOM 1246 C PHE A 83 -4.343 -1.157 12.004 1.00 0.00 C ATOM 1247 O PHE A 83 -4.045 0.017 12.225 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.562 -1.702 9.685 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.919 -0.377 9.390 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -3.359 0.405 8.333 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.872 0.092 10.171 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -2.768 1.623 8.060 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -1.280 1.311 9.900 1.00 0.00 C ATOM 1254 CZ PHE A 83 -1.728 2.076 8.845 1.00 0.00 C ATOM 0 H PHE A 83 -5.641 0.281 10.319 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.231 -2.593 10.697 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.822 -2.362 10.138 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.869 -2.164 8.746 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.174 0.057 7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.516 -0.502 11.000 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.120 2.221 7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.466 1.664 10.515 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.266 3.029 8.633 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.314 -2.099 12.942 1.00 0.00 N ATOM 1265 CA GLY A 84 -3.865 -1.791 14.287 1.00 0.00 C ATOM 1266 C GLY A 84 -4.692 -0.701 14.939 1.00 0.00 C ATOM 1267 O GLY A 84 -5.915 -0.810 15.030 1.00 0.00 O ATOM 0 H GLY A 84 -4.593 -3.069 12.794 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.912 -2.693 14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.821 -1.481 14.256 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.024 0.353 15.395 1.00 0.00 N ATOM 1272 CA ASP A 85 -4.712 1.521 15.932 1.00 0.00 C ATOM 1273 C ASP A 85 -4.587 2.710 14.983 1.00 0.00 C ATOM 1274 O ASP A 85 -4.681 3.863 15.402 1.00 0.00 O ATOM 1275 CB ASP A 85 -4.157 1.885 17.312 1.00 0.00 C ATOM 1276 CG ASP A 85 -2.671 2.214 17.326 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -2.036 2.046 16.311 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -2.216 2.774 18.294 1.00 0.00 O ATOM 0 H ASP A 85 -3.006 0.422 15.403 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.768 1.272 16.034 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.710 2.741 17.698 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.339 1.054 17.994 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.373 2.419 13.704 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.278 3.463 12.689 1.00 0.00 C ATOM 1285 C ARG A 86 -5.104 3.100 11.459 1.00 0.00 C ATOM 1286 O ARG A 86 -5.607 1.983 11.340 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.836 3.778 12.322 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.001 4.363 13.450 1.00 0.00 C ATOM 1289 CD ARG A 86 -2.397 5.736 13.856 1.00 0.00 C ATOM 1290 NE ARG A 86 -1.529 6.342 14.853 1.00 0.00 N ATOM 1291 CZ ARG A 86 -1.644 6.155 16.183 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -2.606 5.412 16.682 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -0.775 6.759 16.975 1.00 0.00 N ATOM 0 H ARG A 86 -4.262 1.470 13.346 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.695 4.374 13.119 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.357 2.863 11.972 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.834 4.479 11.487 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.072 3.706 14.317 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.955 4.375 13.143 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.414 6.373 12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.414 5.707 14.247 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.781 6.951 14.523 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.281 4.966 16.060 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.678 5.281 17.691 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.044 7.347 16.575 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.836 6.637 17.986 1.00 0.00 H new ATOM 1307 N THR A 87 -5.241 4.055 10.543 1.00 0.00 N ATOM 1308 CA THR A 87 -6.034 3.849 9.338 1.00 0.00 C ATOM 1309 C THR A 87 -5.410 4.559 8.142 1.00 0.00 C ATOM 1310 O THR A 87 -4.638 5.503 8.301 1.00 0.00 O ATOM 1311 CB THR A 87 -7.480 4.346 9.522 1.00 0.00 C ATOM 1312 OG1 THR A 87 -8.262 3.982 8.376 1.00 0.00 O ATOM 1313 CG2 THR A 87 -7.508 5.857 9.691 1.00 0.00 C ATOM 0 H THR A 87 -4.813 4.978 10.614 1.00 0.00 H new ATOM 0 HA THR A 87 -6.051 2.775 9.151 1.00 0.00 H new ATOM 0 HB THR A 87 -7.896 3.884 10.417 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.182 4.297 8.495 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.538 6.190 9.820 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.924 6.136 10.568 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.082 6.330 8.806 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.750 4.097 6.943 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.236 4.698 5.718 1.00 0.00 C ATOM 1323 C ALA A 88 -6.268 4.631 4.598 1.00 0.00 C ATOM 1324 O ALA A 88 -7.166 3.789 4.616 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.946 4.011 5.294 1.00 0.00 C ATOM 0 H ALA A 88 -6.379 3.308 6.794 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.026 5.749 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.573 4.470 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.201 4.118 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.138 2.953 5.117 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.135 5.525 3.624 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.006 5.519 2.455 1.00 0.00 C ATOM 1333 C LYS A 89 -6.205 5.741 1.177 1.00 0.00 C ATOM 1334 O LYS A 89 -5.390 6.659 1.094 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.093 6.587 2.590 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.125 6.578 1.471 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.193 7.639 1.694 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.167 7.701 0.527 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.234 8.716 0.745 1.00 0.00 N ATOM 0 H LYS A 89 -5.432 6.264 3.621 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.482 4.540 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.606 6.448 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.619 7.568 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.630 6.753 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.593 5.595 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.737 7.422 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.719 8.612 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.623 7.938 -0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.622 6.721 0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.876 8.726 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.770 8.477 1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.802 9.655 0.857 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.442 4.893 0.180 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.760 5.014 -1.104 1.00 0.00 C ATOM 1355 C VAL A 90 -6.736 5.400 -2.210 1.00 0.00 C ATOM 1356 O VAL A 90 -7.819 4.827 -2.324 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.051 3.703 -1.492 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -6.039 2.545 -1.504 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.380 3.842 -2.850 1.00 0.00 C ATOM 0 H VAL A 90 -7.100 4.116 0.237 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.013 5.800 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.283 3.494 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.520 1.627 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.477 2.430 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.828 2.748 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.884 2.906 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.131 4.075 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.643 4.645 -2.811 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.343 6.375 -3.024 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.190 6.846 -4.113 1.00 0.00 C ATOM 1371 C GLU A 91 -6.487 6.687 -5.458 1.00 0.00 C ATOM 1372 O GLU A 91 -5.274 6.875 -5.563 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.583 8.309 -3.893 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.213 8.593 -2.536 1.00 0.00 C ATOM 1375 CD GLU A 91 -8.422 10.067 -2.329 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -7.460 10.796 -2.368 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -9.555 10.479 -2.243 1.00 0.00 O ATOM 0 H GLU A 91 -5.445 6.853 -2.950 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.094 6.237 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.696 8.932 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.283 8.606 -4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.168 8.074 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.573 8.200 -1.746 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.255 6.337 -6.483 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.699 6.096 -7.809 1.00 0.00 C ATOM 1386 C PHE A 92 -7.265 7.083 -8.825 1.00 0.00 C ATOM 1387 O PHE A 92 -8.480 7.215 -8.970 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.980 4.659 -8.253 1.00 0.00 C ATOM 1389 CG PHE A 92 -6.445 3.618 -7.312 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -5.150 3.138 -7.450 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -7.234 3.115 -6.290 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -4.657 2.179 -6.585 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -6.743 2.158 -5.423 1.00 0.00 C ATOM 1394 CZ PHE A 92 -5.453 1.690 -5.571 1.00 0.00 C ATOM 0 H PHE A 92 -8.266 6.214 -6.421 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.620 6.242 -7.755 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.057 4.524 -8.355 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.544 4.502 -9.240 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.521 3.518 -8.241 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.245 3.475 -6.170 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.648 1.813 -6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.368 1.776 -4.630 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.068 0.942 -4.894 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.374 7.777 -9.525 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.783 8.727 -10.556 1.00 0.00 C ATOM 1406 C LEU A 93 -6.278 8.291 -11.928 1.00 0.00 C ATOM 1407 O LEU A 93 -5.083 8.071 -12.118 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.270 10.132 -10.218 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.524 11.196 -11.293 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -8.021 11.437 -11.445 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.806 12.483 -10.915 1.00 0.00 C ATOM 0 H LEU A 93 -5.365 7.700 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.872 8.750 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.737 10.458 -9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.197 10.075 -10.032 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.136 10.847 -12.250 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.192 12.194 -12.210 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.511 10.508 -11.737 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.432 11.781 -10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.987 13.239 -11.679 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.181 12.840 -9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.735 12.293 -10.839 1.00 0.00 H new ATOM 1423 N GLU A 94 -7.198 8.172 -12.880 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.839 7.818 -14.248 1.00 0.00 C ATOM 1425 C GLU A 94 -6.377 9.049 -15.024 1.00 0.00 C ATOM 1426 O GLU A 94 -7.128 10.009 -15.189 1.00 0.00 O ATOM 1427 CB GLU A 94 -8.021 7.157 -14.960 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.722 6.695 -16.380 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.929 6.065 -17.015 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.951 6.004 -16.374 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.865 5.746 -18.179 1.00 0.00 O ATOM 0 H GLU A 94 -8.197 8.315 -12.729 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.014 7.107 -14.207 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.349 6.299 -14.373 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.853 7.861 -14.988 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.395 7.544 -16.980 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.900 5.979 -16.366 1.00 0.00 H new ATOM 1438 N ALA A 95 -5.137 9.010 -15.499 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.581 10.112 -16.277 1.00 0.00 C ATOM 1440 C ALA A 95 -4.254 9.668 -17.699 1.00 0.00 C ATOM 1441 O ALA A 95 -4.051 8.488 -17.975 1.00 0.00 O ATOM 1442 CB ALA A 95 -3.339 10.666 -15.596 1.00 0.00 C ATOM 0 H ALA A 95 -4.498 8.228 -15.359 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.332 10.900 -16.333 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.935 11.487 -16.188 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.600 11.029 -14.602 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.590 9.879 -15.509 1.00 0.00 H new ATOM 1448 N PRO A 96 -4.201 10.638 -18.625 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.843 10.381 -20.022 1.00 0.00 C ATOM 1450 C PRO A 96 -2.410 9.882 -20.171 1.00 0.00 C ATOM 1451 O PRO A 96 -2.083 9.183 -21.130 1.00 0.00 O ATOM 1452 CB PRO A 96 -4.049 11.733 -20.711 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.921 12.733 -19.612 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.510 12.068 -18.397 1.00 0.00 C ATOM 0 HA PRO A 96 -4.450 9.590 -20.462 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.304 11.900 -21.489 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.027 11.791 -21.189 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.878 13.003 -19.446 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.454 13.653 -19.854 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.060 12.437 -17.475 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.583 12.243 -18.320 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.559 10.246 -19.216 1.00 0.00 N ATOM 1463 CA GLN A 97 -0.147 9.890 -19.275 1.00 0.00 C ATOM 1464 C GLN A 97 0.136 8.648 -18.435 1.00 0.00 C ATOM 1465 O GLN A 97 1.130 7.955 -18.651 1.00 0.00 O ATOM 1466 CB GLN A 97 0.721 11.054 -18.789 1.00 0.00 C ATOM 1467 CG GLN A 97 0.567 12.326 -19.604 1.00 0.00 C ATOM 1468 CD GLN A 97 0.899 12.119 -21.070 1.00 0.00 C ATOM 1469 OE1 GLN A 97 1.928 11.530 -21.411 1.00 0.00 O ATOM 1470 NE2 GLN A 97 0.030 12.608 -21.947 1.00 0.00 N ATOM 0 H GLN A 97 -1.824 10.787 -18.393 1.00 0.00 H new ATOM 0 HA GLN A 97 0.101 9.672 -20.314 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.472 11.269 -17.750 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.767 10.747 -18.810 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.457 12.690 -19.514 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.217 13.098 -19.193 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.809 13.088 -21.621 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.201 12.503 -22.947 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.745 8.373 -17.478 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.524 7.267 -16.565 1.00 0.00 C ATOM 1481 C GLY A 98 -1.595 7.177 -15.495 1.00 0.00 C ATOM 1482 O GLY A 98 -2.652 7.798 -15.611 1.00 0.00 O ATOM 0 H GLY A 98 -1.606 8.895 -17.319 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.498 6.334 -17.128 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.451 7.380 -16.091 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.325 6.399 -14.452 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.238 6.292 -13.322 1.00 0.00 C ATOM 1488 C VAL A 99 -1.609 6.857 -12.052 1.00 0.00 C ATOM 1489 O VAL A 99 -0.511 6.462 -11.660 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.655 4.830 -13.070 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.603 4.744 -11.883 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.306 4.241 -14.312 1.00 0.00 C ATOM 0 H VAL A 99 -0.481 5.833 -14.367 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.124 6.874 -13.576 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.760 4.251 -12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.887 3.705 -11.719 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.107 5.129 -10.992 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.495 5.337 -12.086 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.594 3.208 -14.117 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.191 4.822 -14.569 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.599 4.270 -15.142 1.00 0.00 H new ATOM 1502 N THR A 100 -2.314 7.786 -11.412 1.00 0.00 N ATOM 1503 CA THR A 100 -1.795 8.455 -10.227 1.00 0.00 C ATOM 1504 C THR A 100 -2.390 7.860 -8.955 1.00 0.00 C ATOM 1505 O THR A 100 -3.610 7.777 -8.808 1.00 0.00 O ATOM 1506 CB THR A 100 -2.086 9.967 -10.260 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.407 10.562 -11.374 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.617 10.628 -8.973 1.00 0.00 C ATOM 0 H THR A 100 -3.245 8.091 -11.695 1.00 0.00 H new ATOM 0 HA THR A 100 -0.716 8.302 -10.226 1.00 0.00 H new ATOM 0 HB THR A 100 -3.161 10.113 -10.360 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.594 11.524 -11.395 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.831 11.696 -9.014 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.140 10.185 -8.125 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.544 10.477 -8.856 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.522 7.450 -8.036 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.961 6.826 -6.793 1.00 0.00 C ATOM 1518 C VAL A 101 -1.638 7.709 -5.593 1.00 0.00 C ATOM 1519 O VAL A 101 -0.489 8.100 -5.387 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.309 5.444 -6.594 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.778 4.817 -5.289 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.627 4.531 -7.767 1.00 0.00 C ATOM 0 H VAL A 101 -0.510 7.539 -8.129 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.041 6.699 -6.867 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.228 5.577 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.308 3.842 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.501 5.462 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.861 4.697 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.158 3.560 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.707 4.404 -7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.244 4.973 -8.687 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.660 8.017 -4.801 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.489 8.864 -3.627 1.00 0.00 C ATOM 1534 C ARG A 102 -2.898 8.123 -2.357 1.00 0.00 C ATOM 1535 O ARG A 102 -4.009 7.601 -2.263 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.222 10.190 -3.763 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.034 11.147 -2.597 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.621 12.495 -2.810 1.00 0.00 C ATOM 1539 NE ARG A 102 -5.073 12.519 -2.856 1.00 0.00 N ATOM 1540 CZ ARG A 102 -5.811 13.594 -3.200 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.240 14.742 -3.492 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -7.126 13.471 -3.212 1.00 0.00 N ATOM 0 H ARG A 102 -3.615 7.692 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.428 9.102 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.887 10.682 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.287 9.990 -3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.480 10.706 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.967 11.255 -2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.284 13.155 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.234 12.903 -3.744 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.569 11.662 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.224 14.829 -3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.813 15.545 -3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.557 12.580 -2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.710 14.267 -3.468 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.994 8.082 -1.384 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.250 7.381 -0.132 1.00 0.00 C ATOM 1558 C VAL A 103 -2.127 8.325 1.061 1.00 0.00 C ATOM 1559 O VAL A 103 -1.093 8.964 1.255 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.286 6.196 0.061 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.551 5.504 1.389 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.417 5.210 -1.089 1.00 0.00 C ATOM 0 H VAL A 103 -1.077 8.526 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.270 7.000 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.266 6.580 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.861 4.669 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.407 6.213 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.576 5.133 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.728 4.379 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.439 4.832 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.178 5.711 -2.027 1.00 0.00 H new ATOM 1572 N SER A 104 -3.190 8.406 1.854 1.00 0.00 N ATOM 1573 CA SER A 104 -3.182 9.228 3.060 1.00 0.00 C ATOM 1574 C SER A 104 -3.493 8.386 4.293 1.00 0.00 C ATOM 1575 O SER A 104 -4.464 7.630 4.314 1.00 0.00 O ATOM 1576 CB SER A 104 -4.177 10.364 2.926 1.00 0.00 C ATOM 1577 OG SER A 104 -4.141 11.229 4.029 1.00 0.00 O ATOM 0 H SER A 104 -4.067 7.914 1.684 1.00 0.00 H new ATOM 0 HA SER A 104 -2.184 9.650 3.182 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.964 10.927 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.182 9.955 2.819 1.00 0.00 H new ATOM 0 HG SER A 104 -3.503 11.952 3.857 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.660 8.522 5.320 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.734 7.648 6.486 1.00 0.00 C ATOM 1585 C PHE A 105 -2.421 8.421 7.765 1.00 0.00 C ATOM 1586 O PHE A 105 -1.829 9.498 7.723 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.775 6.468 6.333 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.328 6.867 6.266 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.240 7.269 5.066 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.467 6.841 7.402 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.571 7.636 5.002 1.00 0.00 C ATOM 1592 CE2 PHE A 105 1.798 7.208 7.341 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.350 7.606 6.142 1.00 0.00 C ATOM 0 H PHE A 105 -1.926 9.229 5.369 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.752 7.264 6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.916 5.786 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.033 5.917 5.428 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.365 7.296 4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.041 6.531 8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.002 7.946 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.406 7.183 8.233 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.390 7.894 6.094 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.823 7.860 8.901 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.587 8.495 10.192 1.00 0.00 C ATOM 1605 C VAL A 106 -1.221 8.116 10.750 1.00 0.00 C ATOM 1606 O VAL A 106 -0.849 6.943 10.766 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.673 8.114 11.216 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -3.403 8.788 12.553 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -5.052 8.495 10.698 1.00 0.00 C ATOM 0 H VAL A 106 -3.314 6.967 8.953 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.621 9.571 10.024 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.646 7.034 11.361 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.180 8.508 13.265 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -2.432 8.469 12.932 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.404 9.870 12.422 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.807 8.218 11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.091 9.570 10.525 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.248 7.969 9.763 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.476 9.118 11.206 1.00 0.00 N ATOM 1620 CA ALA A 107 0.894 8.907 11.658 1.00 0.00 C ATOM 1621 C ALA A 107 0.922 8.248 13.035 1.00 0.00 C ATOM 1622 O ALA A 107 0.052 8.496 13.869 1.00 0.00 O ATOM 1623 CB ALA A 107 1.649 10.226 11.687 1.00 0.00 C ATOM 0 H ALA A 107 -0.798 10.084 11.272 1.00 0.00 H new ATOM 0 HA ALA A 107 1.384 8.236 10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.670 10.053 12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.667 10.657 10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.152 10.915 12.370 1.00 0.00 H new ATOM 1629 N GLU A 108 1.926 7.409 13.264 1.00 0.00 N ATOM 1630 CA GLU A 108 2.136 6.809 14.575 1.00 0.00 C ATOM 1631 C GLU A 108 2.901 7.758 15.492 1.00 0.00 C ATOM 1632 O GLU A 108 3.869 8.397 15.077 1.00 0.00 O ATOM 1633 CB GLU A 108 2.886 5.482 14.445 1.00 0.00 C ATOM 1634 CG GLU A 108 2.148 4.419 13.642 1.00 0.00 C ATOM 1635 CD GLU A 108 2.982 3.180 13.479 1.00 0.00 C ATOM 1636 OE1 GLU A 108 4.040 3.269 12.903 1.00 0.00 O ATOM 1637 OE2 GLU A 108 2.618 2.166 14.028 1.00 0.00 O ATOM 0 H GLU A 108 2.607 7.129 12.558 1.00 0.00 H new ATOM 0 HA GLU A 108 1.158 6.617 15.017 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.852 5.669 13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.086 5.092 15.443 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.213 4.167 14.142 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.888 4.817 12.661 1.00 0.00 H new ATOM 1644 N THR A 109 2.460 7.848 16.744 1.00 0.00 N ATOM 1645 CA THR A 109 3.090 8.732 17.716 1.00 0.00 C ATOM 1646 C THR A 109 4.436 8.181 18.171 1.00 0.00 C ATOM 1647 O THR A 109 5.287 8.921 18.660 1.00 0.00 O ATOM 1648 CB THR A 109 2.191 8.950 18.947 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.915 7.689 19.568 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.882 9.610 18.543 1.00 0.00 C ATOM 0 H THR A 109 1.668 7.318 17.108 1.00 0.00 H new ATOM 0 HA THR A 109 3.244 9.689 17.217 1.00 0.00 H new ATOM 0 HB THR A 109 2.712 9.602 19.648 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.344 7.829 20.352 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.260 9.756 19.426 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.089 10.576 18.081 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.358 8.972 17.831 1.00 0.00 H new ATOM 1658 N GLU A 110 4.620 6.874 18.008 1.00 0.00 N ATOM 1659 CA GLU A 110 5.851 6.217 18.432 1.00 0.00 C ATOM 1660 C GLU A 110 7.000 6.552 17.485 1.00 0.00 C ATOM 1661 O GLU A 110 8.168 6.352 17.814 1.00 0.00 O ATOM 1662 CB GLU A 110 5.653 4.702 18.508 1.00 0.00 C ATOM 1663 CG GLU A 110 4.709 4.246 19.612 1.00 0.00 C ATOM 1664 CD GLU A 110 4.511 2.757 19.580 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.083 2.117 18.730 1.00 0.00 O ATOM 1666 OE2 GLU A 110 3.879 2.243 20.474 1.00 0.00 O ATOM 0 H GLU A 110 3.933 6.250 17.586 1.00 0.00 H new ATOM 0 HA GLU A 110 6.105 6.586 19.425 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.270 4.349 17.550 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.623 4.228 18.657 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.110 4.541 20.582 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.747 4.746 19.500 1.00 0.00 H new ATOM 1673 N TYR A 111 6.657 7.061 16.306 1.00 0.00 N ATOM 1674 CA TYR A 111 7.659 7.422 15.311 1.00 0.00 C ATOM 1675 C TYR A 111 7.451 8.853 14.823 1.00 0.00 C ATOM 1676 O TYR A 111 6.335 9.373 14.799 1.00 0.00 O ATOM 1677 CB TYR A 111 7.616 6.451 14.129 1.00 0.00 C ATOM 1678 CG TYR A 111 7.900 5.014 14.505 1.00 0.00 C ATOM 1679 CD1 TYR A 111 9.194 4.520 14.495 1.00 0.00 C ATOM 1680 CD2 TYR A 111 6.871 4.156 14.868 1.00 0.00 C ATOM 1681 CE1 TYR A 111 9.461 3.208 14.838 1.00 0.00 C ATOM 1682 CE2 TYR A 111 7.125 2.843 15.213 1.00 0.00 C ATOM 1683 CZ TYR A 111 8.423 2.372 15.197 1.00 0.00 C ATOM 1684 OH TYR A 111 8.682 1.065 15.538 1.00 0.00 O ATOM 0 H TYR A 111 5.694 7.232 16.017 1.00 0.00 H new ATOM 0 HA TYR A 111 8.640 7.358 15.782 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.633 6.506 13.662 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.342 6.771 13.382 1.00 0.00 H new ATOM 0 HD1 TYR A 111 10.008 5.171 14.214 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.855 4.521 14.881 1.00 0.00 H new ATOM 0 HE1 TYR A 111 10.476 2.839 14.825 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.313 2.188 15.494 1.00 0.00 H new ATOM 0 HH TYR A 111 7.842 0.614 15.766 1.00 0.00 H new ATOM 1694 N PRO A 112 8.552 9.507 14.425 1.00 0.00 N ATOM 1695 CA PRO A 112 8.506 10.848 13.833 1.00 0.00 C ATOM 1696 C PRO A 112 7.785 10.866 12.490 1.00 0.00 C ATOM 1697 O PRO A 112 7.840 9.896 11.733 1.00 0.00 O ATOM 1698 CB PRO A 112 9.980 11.239 13.693 1.00 0.00 C ATOM 1699 CG PRO A 112 10.703 9.938 13.601 1.00 0.00 C ATOM 1700 CD PRO A 112 9.942 8.995 14.496 1.00 0.00 C ATOM 0 HA PRO A 112 7.942 11.549 14.449 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.146 11.849 12.805 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.319 11.822 14.549 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.726 9.573 12.574 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.738 10.040 13.927 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.010 7.965 14.146 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.325 9.011 15.516 1.00 0.00 H new ATOM 1708 N VAL A 113 7.110 11.973 12.199 1.00 0.00 N ATOM 1709 CA VAL A 113 6.343 12.100 10.966 1.00 0.00 C ATOM 1710 C VAL A 113 7.230 11.888 9.744 1.00 0.00 C ATOM 1711 O VAL A 113 6.761 11.450 8.694 1.00 0.00 O ATOM 1712 CB VAL A 113 5.662 13.477 10.865 1.00 0.00 C ATOM 1713 CG1 VAL A 113 4.632 13.645 11.971 1.00 0.00 C ATOM 1714 CG2 VAL A 113 6.696 14.590 10.928 1.00 0.00 C ATOM 0 H VAL A 113 7.079 12.796 12.801 1.00 0.00 H new ATOM 0 HA VAL A 113 5.574 11.328 10.990 1.00 0.00 H new ATOM 0 HB VAL A 113 5.150 13.537 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.161 14.624 11.884 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.873 12.868 11.882 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.123 13.564 12.941 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.196 15.556 10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 113 7.236 14.532 11.873 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.398 14.482 10.101 1.00 0.00 H new ATOM 1724 N GLU A 114 8.513 12.204 9.889 1.00 0.00 N ATOM 1725 CA GLU A 114 9.481 11.970 8.824 1.00 0.00 C ATOM 1726 C GLU A 114 9.630 10.478 8.539 1.00 0.00 C ATOM 1727 O GLU A 114 9.694 10.059 7.385 1.00 0.00 O ATOM 1728 CB GLU A 114 10.837 12.577 9.189 1.00 0.00 C ATOM 1729 CG GLU A 114 10.865 14.099 9.190 1.00 0.00 C ATOM 1730 CD GLU A 114 12.186 14.621 9.683 1.00 0.00 C ATOM 1731 OE1 GLU A 114 13.009 13.827 10.073 1.00 0.00 O ATOM 1732 OE2 GLU A 114 12.418 15.801 9.565 1.00 0.00 O ATOM 0 H GLU A 114 8.906 12.622 10.732 1.00 0.00 H new ATOM 0 HA GLU A 114 9.111 12.455 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.127 12.220 10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.586 12.212 8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.679 14.469 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.063 14.479 9.822 1.00 0.00 H new ATOM 1739 N GLN A 115 9.684 9.684 9.603 1.00 0.00 N ATOM 1740 CA GLN A 115 9.811 8.236 9.470 1.00 0.00 C ATOM 1741 C GLN A 115 8.572 7.639 8.810 1.00 0.00 C ATOM 1742 O GLN A 115 8.675 6.735 7.981 1.00 0.00 O ATOM 1743 CB GLN A 115 10.035 7.587 10.837 1.00 0.00 C ATOM 1744 CG GLN A 115 10.231 6.081 10.789 1.00 0.00 C ATOM 1745 CD GLN A 115 11.478 5.685 10.022 1.00 0.00 C ATOM 1746 OE1 GLN A 115 12.553 6.258 10.219 1.00 0.00 O ATOM 1747 NE2 GLN A 115 11.341 4.703 9.138 1.00 0.00 N ATOM 0 H GLN A 115 9.642 10.017 10.566 1.00 0.00 H new ATOM 0 HA GLN A 115 10.675 8.034 8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 115 10.910 8.041 11.303 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.181 7.810 11.477 1.00 0.00 H new ATOM 0 HG2 GLN A 115 10.294 5.693 11.806 1.00 0.00 H new ATOM 0 HG3 GLN A 115 9.360 5.618 10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.433 4.257 9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.144 4.395 8.590 1.00 0.00 H new ATOM 1756 N GLN A 116 7.404 8.151 9.184 1.00 0.00 N ATOM 1757 CA GLN A 116 6.147 7.679 8.615 1.00 0.00 C ATOM 1758 C GLN A 116 6.065 8.007 7.128 1.00 0.00 C ATOM 1759 O GLN A 116 5.689 7.161 6.317 1.00 0.00 O ATOM 1760 CB GLN A 116 4.958 8.302 9.351 1.00 0.00 C ATOM 1761 CG GLN A 116 4.763 7.789 10.767 1.00 0.00 C ATOM 1762 CD GLN A 116 4.355 6.329 10.803 1.00 0.00 C ATOM 1763 OE1 GLN A 116 3.445 5.907 10.084 1.00 0.00 O ATOM 1764 NE2 GLN A 116 5.023 5.549 11.645 1.00 0.00 N ATOM 0 H GLN A 116 7.302 8.892 9.878 1.00 0.00 H new ATOM 0 HA GLN A 116 6.111 6.596 8.734 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.092 9.383 9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.050 8.110 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.689 7.918 11.328 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.001 8.388 11.266 1.00 0.00 H new ATOM 0 HE21 GLN A 116 5.768 5.941 12.221 1.00 0.00 H new ATOM 0 HE22 GLN A 116 4.791 4.558 11.716 1.00 0.00 H new ATOM 1773 N GLN A 117 6.420 9.238 6.778 1.00 0.00 N ATOM 1774 CA GLN A 117 6.375 9.680 5.389 1.00 0.00 C ATOM 1775 C GLN A 117 7.352 8.882 4.532 1.00 0.00 C ATOM 1776 O GLN A 117 6.993 8.380 3.468 1.00 0.00 O ATOM 1777 CB GLN A 117 6.696 11.174 5.289 1.00 0.00 C ATOM 1778 CG GLN A 117 6.653 11.726 3.874 1.00 0.00 C ATOM 1779 CD GLN A 117 6.990 13.204 3.820 1.00 0.00 C ATOM 1780 OE1 GLN A 117 7.324 13.817 4.838 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.902 13.787 2.630 1.00 0.00 N ATOM 0 H GLN A 117 6.742 9.947 7.436 1.00 0.00 H new ATOM 0 HA GLN A 117 5.365 9.509 5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.988 11.728 5.905 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.688 11.350 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.355 11.173 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.659 11.567 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.622 13.242 1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.115 14.780 2.531 1.00 0.00 H new ATOM 1790 N GLN A 118 8.590 8.770 5.005 1.00 0.00 N ATOM 1791 CA GLN A 118 9.636 8.091 4.250 1.00 0.00 C ATOM 1792 C GLN A 118 9.345 6.597 4.139 1.00 0.00 C ATOM 1793 O GLN A 118 9.629 5.974 3.118 1.00 0.00 O ATOM 1794 CB GLN A 118 11.002 8.305 4.911 1.00 0.00 C ATOM 1795 CG GLN A 118 11.560 9.707 4.742 1.00 0.00 C ATOM 1796 CD GLN A 118 12.857 9.909 5.504 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.328 9.008 6.204 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.440 11.095 5.375 1.00 0.00 N ATOM 0 H GLN A 118 8.892 9.140 5.906 1.00 0.00 H new ATOM 0 HA GLN A 118 9.655 8.518 3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 118 10.917 8.085 5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.711 7.590 4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.730 9.902 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.823 10.432 5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 118 13.015 11.811 4.785 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.313 11.290 5.865 1.00 0.00 H new ATOM 1807 N GLY A 119 8.777 6.030 5.199 1.00 0.00 N ATOM 1808 CA GLY A 119 8.457 4.614 5.200 1.00 0.00 C ATOM 1809 C GLY A 119 7.451 4.246 4.127 1.00 0.00 C ATOM 1810 O GLY A 119 7.638 3.271 3.400 1.00 0.00 O ATOM 0 H GLY A 119 8.533 6.525 6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.370 4.038 5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.061 4.335 6.176 1.00 0.00 H new ATOM 1814 N TRP A 120 6.381 5.027 4.031 1.00 0.00 N ATOM 1815 CA TRP A 120 5.374 4.819 2.995 1.00 0.00 C ATOM 1816 C TRP A 120 5.926 5.174 1.619 1.00 0.00 C ATOM 1817 O TRP A 120 5.597 4.530 0.625 1.00 0.00 O ATOM 1818 CB TRP A 120 4.129 5.658 3.291 1.00 0.00 C ATOM 1819 CG TRP A 120 2.994 4.857 3.855 1.00 0.00 C ATOM 1820 CD1 TRP A 120 1.842 4.503 3.213 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.903 4.315 5.176 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.041 3.772 4.055 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.668 3.641 5.266 1.00 0.00 C ATOM 1824 CE3 TRP A 120 3.743 4.328 6.293 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 1.256 2.992 6.426 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 3.333 3.685 7.444 1.00 0.00 C ATOM 1827 CH2 TRP A 120 2.100 3.023 7.503 1.00 0.00 C ATOM 0 H TRP A 120 6.188 5.809 4.657 1.00 0.00 H new ATOM 0 HA TRP A 120 5.102 3.764 2.994 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.391 6.449 3.994 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.800 6.144 2.372 1.00 0.00 H new ATOM 0 HD1 TRP A 120 1.597 4.760 2.193 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.126 3.388 3.817 1.00 0.00 H new ATOM 0 HE3 TRP A 120 4.697 4.833 6.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 0.305 2.482 6.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 3.974 3.693 8.313 1.00 0.00 H new ATOM 0 HH2 TRP A 120 1.809 2.527 8.417 1.00 0.00 H new ATOM 1838 N GLN A 121 6.767 6.202 1.571 1.00 0.00 N ATOM 1839 CA GLN A 121 7.393 6.618 0.322 1.00 0.00 C ATOM 1840 C GLN A 121 8.338 5.542 -0.200 1.00 0.00 C ATOM 1841 O GLN A 121 8.438 5.320 -1.407 1.00 0.00 O ATOM 1842 CB GLN A 121 8.157 7.930 0.515 1.00 0.00 C ATOM 1843 CG GLN A 121 8.711 8.524 -0.770 1.00 0.00 C ATOM 1844 CD GLN A 121 7.615 8.938 -1.735 1.00 0.00 C ATOM 1845 OE1 GLN A 121 6.686 9.662 -1.366 1.00 0.00 O ATOM 1846 NE2 GLN A 121 7.717 8.479 -2.976 1.00 0.00 N ATOM 0 H GLN A 121 7.030 6.762 2.382 1.00 0.00 H new ATOM 0 HA GLN A 121 6.602 6.772 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.494 8.658 0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.981 7.759 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.327 9.391 -0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.361 7.795 -1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.503 7.883 -3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.010 8.722 -3.669 1.00 0.00 H new ATOM 1855 N ALA A 122 9.032 4.876 0.717 1.00 0.00 N ATOM 1856 CA ALA A 122 10.009 3.859 0.348 1.00 0.00 C ATOM 1857 C ALA A 122 9.343 2.696 -0.378 1.00 0.00 C ATOM 1858 O ALA A 122 9.841 2.221 -1.398 1.00 0.00 O ATOM 1859 CB ALA A 122 10.746 3.361 1.582 1.00 0.00 C ATOM 0 H ALA A 122 8.936 5.023 1.722 1.00 0.00 H new ATOM 0 HA ALA A 122 10.729 4.313 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.472 2.602 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.263 4.194 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.032 2.929 2.283 1.00 0.00 H new ATOM 1865 N ILE A 123 8.214 2.240 0.155 1.00 0.00 N ATOM 1866 CA ILE A 123 7.462 1.153 -0.459 1.00 0.00 C ATOM 1867 C ILE A 123 6.687 1.642 -1.679 1.00 0.00 C ATOM 1868 O ILE A 123 6.407 0.872 -2.599 1.00 0.00 O ATOM 1869 CB ILE A 123 6.483 0.510 0.538 1.00 0.00 C ATOM 1870 CG1 ILE A 123 5.401 1.512 0.947 1.00 0.00 C ATOM 1871 CG2 ILE A 123 7.229 -0.002 1.761 1.00 0.00 C ATOM 1872 CD1 ILE A 123 4.282 0.905 1.762 1.00 0.00 C ATOM 0 H ILE A 123 7.800 2.607 1.012 1.00 0.00 H new ATOM 0 HA ILE A 123 8.189 0.403 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 123 6.000 -0.337 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.862 2.315 1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.980 1.964 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.521 -0.454 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.962 -0.748 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.738 0.828 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.555 1.677 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.794 0.121 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.690 0.478 2.678 1.00 0.00 H new ATOM 1884 N LEU A 124 6.346 2.926 -1.680 1.00 0.00 N ATOM 1885 CA LEU A 124 5.706 3.546 -2.835 1.00 0.00 C ATOM 1886 C LEU A 124 6.682 3.662 -4.001 1.00 0.00 C ATOM 1887 O LEU A 124 6.292 3.548 -5.164 1.00 0.00 O ATOM 1888 CB LEU A 124 5.153 4.927 -2.459 1.00 0.00 C ATOM 1889 CG LEU A 124 4.167 5.531 -3.467 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.940 4.638 -3.598 1.00 0.00 C ATOM 1891 CD2 LEU A 124 3.770 6.929 -3.015 1.00 0.00 C ATOM 0 H LEU A 124 6.502 3.558 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 124 4.878 2.911 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.658 4.851 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 124 5.990 5.615 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 124 4.644 5.600 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.246 5.076 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.244 3.650 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.450 4.548 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 124 3.069 7.358 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 124 3.298 6.874 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 124 4.658 7.558 -2.955 1.00 0.00 H new ATOM 1903 N ASN A 125 7.952 3.886 -3.684 1.00 0.00 N ATOM 1904 CA ASN A 125 8.993 3.962 -4.703 1.00 0.00 C ATOM 1905 C ASN A 125 9.167 2.618 -5.404 1.00 0.00 C ATOM 1906 O ASN A 125 9.317 2.556 -6.624 1.00 0.00 O ATOM 1907 CB ASN A 125 10.314 4.426 -4.116 1.00 0.00 C ATOM 1908 CG ASN A 125 10.338 5.887 -3.760 1.00 0.00 C ATOM 1909 OD1 ASN A 125 9.532 6.681 -4.258 1.00 0.00 O ATOM 1910 ND2 ASN A 125 11.309 6.257 -2.966 1.00 0.00 N ATOM 0 H ASN A 125 8.286 4.018 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 125 8.675 4.700 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.530 3.840 -3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 125 11.111 4.222 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 125 11.428 7.242 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.947 5.560 -2.582 1.00 0.00 H new ATOM 1917 N ASN A 126 9.147 1.542 -4.622 1.00 0.00 N ATOM 1918 CA ASN A 126 9.197 0.195 -5.177 1.00 0.00 C ATOM 1919 C ASN A 126 7.921 -0.124 -5.950 1.00 0.00 C ATOM 1920 O ASN A 126 7.958 -0.803 -6.977 1.00 0.00 O ATOM 1921 CB ASN A 126 9.431 -0.843 -4.095 1.00 0.00 C ATOM 1922 CG ASN A 126 10.833 -0.845 -3.551 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.741 -0.227 -4.118 1.00 0.00 O ATOM 1924 ND2 ASN A 126 11.030 -1.600 -2.500 1.00 0.00 N ATOM 0 H ASN A 126 9.097 1.578 -3.604 1.00 0.00 H new ATOM 0 HA ASN A 126 10.040 0.159 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.734 -0.665 -3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.205 -1.831 -4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.968 -1.699 -2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.245 -2.089 -2.069 1.00 0.00 H new ATOM 1931 N PHE A 127 6.794 0.371 -5.450 1.00 0.00 N ATOM 1932 CA PHE A 127 5.525 0.248 -6.158 1.00 0.00 C ATOM 1933 C PHE A 127 5.616 0.866 -7.550 1.00 0.00 C ATOM 1934 O PHE A 127 5.234 0.246 -8.544 1.00 0.00 O ATOM 1935 CB PHE A 127 4.399 0.908 -5.358 1.00 0.00 C ATOM 1936 CG PHE A 127 3.085 0.952 -6.085 1.00 0.00 C ATOM 1937 CD1 PHE A 127 2.242 -0.149 -6.089 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.690 2.095 -6.764 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.033 -0.108 -6.758 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.482 2.138 -7.432 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.652 1.035 -7.429 1.00 0.00 C ATOM 0 H PHE A 127 6.733 0.861 -4.557 1.00 0.00 H new ATOM 0 HA PHE A 127 5.301 -0.813 -6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.267 0.368 -4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.696 1.925 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 127 2.533 -1.047 -5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.335 2.962 -6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.386 -0.973 -6.755 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.187 3.035 -7.957 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.293 1.067 -7.951 1.00 0.00 H new ATOM 1951 N LYS A 128 6.125 2.091 -7.614 1.00 0.00 N ATOM 1952 CA LYS A 128 6.259 2.799 -8.883 1.00 0.00 C ATOM 1953 C LYS A 128 7.209 2.061 -9.821 1.00 0.00 C ATOM 1954 O LYS A 128 6.867 1.779 -10.968 1.00 0.00 O ATOM 1955 CB LYS A 128 6.749 4.228 -8.651 1.00 0.00 C ATOM 1956 CG LYS A 128 6.961 5.035 -9.925 1.00 0.00 C ATOM 1957 CD LYS A 128 7.570 6.397 -9.623 1.00 0.00 C ATOM 1958 CE LYS A 128 7.847 7.176 -10.901 1.00 0.00 C ATOM 1959 NZ LYS A 128 8.529 8.469 -10.626 1.00 0.00 N ATOM 0 H LYS A 128 6.452 2.615 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 128 5.276 2.838 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.028 4.749 -8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.687 4.192 -8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 128 7.614 4.484 -10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.008 5.166 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.893 6.967 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.498 6.267 -9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 128 8.466 6.574 -11.566 1.00 0.00 H new ATOM 0 HE3 LYS A 128 6.908 7.364 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.700 8.969 -11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.928 9.055 -10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.437 8.289 -10.152 1.00 0.00 H new ATOM 1973 N ARG A 129 8.402 1.752 -9.324 1.00 0.00 N ATOM 1974 CA ARG A 129 9.459 1.197 -10.161 1.00 0.00 C ATOM 1975 C ARG A 129 9.068 -0.181 -10.686 1.00 0.00 C ATOM 1976 O ARG A 129 9.390 -0.539 -11.820 1.00 0.00 O ATOM 1977 CB ARG A 129 10.801 1.165 -9.446 1.00 0.00 C ATOM 1978 CG ARG A 129 11.461 2.523 -9.262 1.00 0.00 C ATOM 1979 CD ARG A 129 12.762 2.479 -8.546 1.00 0.00 C ATOM 1980 NE ARG A 129 13.423 3.768 -8.419 1.00 0.00 N ATOM 1981 CZ ARG A 129 14.612 3.961 -7.814 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.255 2.964 -7.249 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.104 5.188 -7.783 1.00 0.00 N ATOM 0 H ARG A 129 8.661 1.877 -8.345 1.00 0.00 H new ATOM 0 HA ARG A 129 9.580 1.861 -11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.663 0.708 -8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.479 0.521 -10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.614 2.975 -10.242 1.00 0.00 H new ATOM 0 HG3 ARG A 129 10.780 3.174 -8.714 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.600 2.068 -7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.428 1.793 -9.070 1.00 0.00 H new ATOM 0 HE ARG A 129 12.954 4.583 -8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 129 14.855 2.026 -7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 129 16.154 3.128 -6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 129 14.586 5.956 -8.210 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.002 5.366 -7.332 1.00 0.00 H new ATOM 1997 N HIS A 130 8.374 -0.951 -9.855 1.00 0.00 N ATOM 1998 CA HIS A 130 7.952 -2.296 -10.232 1.00 0.00 C ATOM 1999 C HIS A 130 6.840 -2.246 -11.274 1.00 0.00 C ATOM 2000 O HIS A 130 6.944 -2.855 -12.338 1.00 0.00 O ATOM 2001 CB HIS A 130 7.486 -3.082 -9.002 1.00 0.00 C ATOM 2002 CG HIS A 130 7.030 -4.474 -9.315 1.00 0.00 C ATOM 2003 ND1 HIS A 130 7.909 -5.500 -9.588 1.00 0.00 N ATOM 2004 CD2 HIS A 130 5.789 -5.007 -9.399 1.00 0.00 C ATOM 2005 CE1 HIS A 130 7.227 -6.607 -9.826 1.00 0.00 C ATOM 2006 NE2 HIS A 130 5.939 -6.335 -9.717 1.00 0.00 N ATOM 0 H HIS A 130 8.092 -0.668 -8.917 1.00 0.00 H new ATOM 0 HA HIS A 130 8.811 -2.806 -10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 130 8.302 -3.130 -8.281 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.670 -2.541 -8.523 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.856 -4.486 -9.245 1.00 0.00 H new ATOM 0 HE1 HIS A 130 7.651 -7.570 -10.068 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.179 -7.003 -9.848 1.00 0.00 H new ATOM 2013 N VAL A 131 5.774 -1.517 -10.959 1.00 0.00 N ATOM 2014 CA VAL A 131 4.571 -1.526 -11.784 1.00 0.00 C ATOM 2015 C VAL A 131 4.799 -0.789 -13.098 1.00 0.00 C ATOM 2016 O VAL A 131 4.348 -1.229 -14.155 1.00 0.00 O ATOM 2017 CB VAL A 131 3.377 -0.887 -11.049 1.00 0.00 C ATOM 2018 CG1 VAL A 131 2.180 -0.771 -11.980 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.014 -1.699 -9.815 1.00 0.00 C ATOM 0 H VAL A 131 5.719 -0.913 -10.139 1.00 0.00 H new ATOM 0 HA VAL A 131 4.341 -2.571 -11.992 1.00 0.00 H new ATOM 0 HB VAL A 131 3.665 0.115 -10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.346 -0.318 -11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.443 -0.149 -12.835 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.892 -1.763 -12.328 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.169 -1.233 -9.308 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.745 -2.712 -10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.868 -1.734 -9.138 1.00 0.00 H new ATOM 2029 N GLU A 132 5.507 0.335 -13.025 1.00 0.00 N ATOM 2030 CA GLU A 132 5.755 1.158 -14.204 1.00 0.00 C ATOM 2031 C GLU A 132 6.424 0.342 -15.306 1.00 0.00 C ATOM 2032 O GLU A 132 6.202 0.581 -16.492 1.00 0.00 O ATOM 2033 CB GLU A 132 6.623 2.366 -13.842 1.00 0.00 C ATOM 2034 CG GLU A 132 6.876 3.326 -14.997 1.00 0.00 C ATOM 2035 CD GLU A 132 7.640 4.539 -14.541 1.00 0.00 C ATOM 2036 OE1 GLU A 132 7.971 4.607 -13.382 1.00 0.00 O ATOM 2037 OE2 GLU A 132 7.990 5.342 -15.373 1.00 0.00 O ATOM 0 H GLU A 132 5.918 0.696 -12.164 1.00 0.00 H new ATOM 0 HA GLU A 132 4.794 1.514 -14.575 1.00 0.00 H new ATOM 0 HB2 GLU A 132 6.144 2.912 -13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.582 2.010 -13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 132 7.434 2.815 -15.782 1.00 0.00 H new ATOM 0 HG3 GLU A 132 5.925 3.634 -15.432 1.00 0.00 H new ATOM 2044 N SER A 133 7.243 -0.625 -14.905 1.00 0.00 N ATOM 2045 CA SER A 133 8.033 -1.401 -15.855 1.00 0.00 C ATOM 2046 C SER A 133 7.149 -2.377 -16.625 1.00 0.00 C ATOM 2047 O SER A 133 7.612 -3.064 -17.537 1.00 0.00 O ATOM 2048 CB SER A 133 9.140 -2.143 -15.133 1.00 0.00 C ATOM 2049 OG SER A 133 8.642 -3.164 -14.313 1.00 0.00 O ATOM 0 H SER A 133 7.377 -0.890 -13.929 1.00 0.00 H new ATOM 0 HA SER A 133 8.482 -0.713 -16.572 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.827 -2.569 -15.864 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.713 -1.440 -14.528 1.00 0.00 H new ATOM 0 HG SER A 133 7.871 -2.831 -13.808 1.00 0.00 H new ATOM 2055 N HIS A 134 5.876 -2.436 -16.249 1.00 0.00 N ATOM 2056 CA HIS A 134 4.938 -3.364 -16.873 1.00 0.00 C ATOM 2057 C HIS A 134 4.256 -2.720 -18.075 1.00 0.00 C ATOM 2058 O HIS A 134 3.329 -3.288 -18.657 1.00 0.00 O ATOM 2059 CB HIS A 134 3.887 -3.834 -15.863 1.00 0.00 C ATOM 2060 CG HIS A 134 4.463 -4.573 -14.695 1.00 0.00 C ATOM 2061 ND1 HIS A 134 3.748 -4.814 -13.540 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.683 -5.126 -14.504 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.506 -5.482 -12.688 1.00 0.00 C ATOM 2064 NE2 HIS A 134 5.685 -5.684 -13.249 1.00 0.00 N ATOM 0 H HIS A 134 5.470 -1.854 -15.517 1.00 0.00 H new ATOM 0 HA HIS A 134 5.504 -4.230 -17.217 1.00 0.00 H new ATOM 0 HB2 HIS A 134 3.335 -2.968 -15.497 1.00 0.00 H new ATOM 0 HB3 HIS A 134 3.170 -4.478 -16.372 1.00 0.00 H new ATOM 0 HD2 HIS A 134 6.503 -5.128 -15.207 1.00 0.00 H new ATOM 0 HE1 HIS A 134 4.212 -5.807 -11.701 1.00 0.00 H new ATOM 0 HE2 HIS A 134 6.469 -6.175 -12.820 1.00 0.00 H new ATOM 2071 N LEU A 135 4.719 -1.530 -18.446 1.00 0.00 N ATOM 2072 CA LEU A 135 4.244 -0.866 -19.655 1.00 0.00 C ATOM 2073 C LEU A 135 5.356 -0.045 -20.299 1.00 0.00 C ATOM 2074 O LEU A 135 5.833 0.931 -19.721 1.00 0.00 O ATOM 2075 CB LEU A 135 3.037 0.025 -19.332 1.00 0.00 C ATOM 2076 CG LEU A 135 2.471 0.813 -20.520 1.00 0.00 C ATOM 2077 CD1 LEU A 135 1.934 -0.146 -21.573 1.00 0.00 C ATOM 2078 CD2 LEU A 135 1.376 1.749 -20.034 1.00 0.00 C ATOM 0 H LEU A 135 5.423 -1.006 -17.926 1.00 0.00 H new ATOM 0 HA LEU A 135 3.935 -1.632 -20.366 1.00 0.00 H new ATOM 0 HB2 LEU A 135 2.244 -0.600 -18.920 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.325 0.730 -18.552 1.00 0.00 H new ATOM 0 HG LEU A 135 3.264 1.408 -20.973 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.534 0.422 -22.413 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.740 -0.791 -21.922 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.143 -0.757 -21.139 1.00 0.00 H new ATOM 0 HD21 LEU A 135 0.974 2.309 -20.879 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.578 1.167 -19.572 1.00 0.00 H new ATOM 0 HD23 LEU A 135 1.789 2.443 -19.302 1.00 0.00 H new ATOM 2090 N GLU A 136 5.763 -0.447 -21.499 1.00 0.00 N ATOM 2091 CA GLU A 136 6.813 0.257 -22.224 1.00 0.00 C ATOM 2092 C GLU A 136 6.247 1.469 -22.960 1.00 0.00 C ATOM 2093 O GLU A 136 5.101 1.455 -23.412 1.00 0.00 O ATOM 2094 CB GLU A 136 7.508 -0.683 -23.211 1.00 0.00 C ATOM 2095 CG GLU A 136 8.254 -1.838 -22.558 1.00 0.00 C ATOM 2096 CD GLU A 136 8.940 -2.695 -23.586 1.00 0.00 C ATOM 2097 OE1 GLU A 136 8.790 -2.425 -24.753 1.00 0.00 O ATOM 2098 OE2 GLU A 136 9.705 -3.549 -23.203 1.00 0.00 O ATOM 0 H GLU A 136 5.381 -1.256 -21.989 1.00 0.00 H new ATOM 0 HA GLU A 136 7.547 0.607 -21.498 1.00 0.00 H new ATOM 0 HB2 GLU A 136 6.762 -1.088 -23.895 1.00 0.00 H new ATOM 0 HB3 GLU A 136 8.211 -0.105 -23.811 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.991 -1.448 -21.856 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.556 -2.445 -21.982 1.00 0.00 H new ATOM 2105 N HIS A 137 7.059 2.515 -23.077 1.00 0.00 N ATOM 2106 CA HIS A 137 6.658 3.715 -23.803 1.00 0.00 C ATOM 2107 C HIS A 137 7.731 4.128 -24.805 1.00 0.00 C ATOM 2108 O HIS A 137 7.424 4.564 -25.914 1.00 0.00 O ATOM 2109 CB HIS A 137 6.376 4.866 -22.832 1.00 0.00 C ATOM 2110 CG HIS A 137 5.233 4.601 -21.901 1.00 0.00 C ATOM 2111 ND1 HIS A 137 3.915 4.725 -22.288 1.00 0.00 N ATOM 2112 CD2 HIS A 137 5.211 4.221 -20.603 1.00 0.00 C ATOM 2113 CE1 HIS A 137 3.130 4.431 -21.265 1.00 0.00 C ATOM 2114 NE2 HIS A 137 3.892 4.122 -20.231 1.00 0.00 N ATOM 0 H HIS A 137 7.997 2.556 -22.679 1.00 0.00 H new ATOM 0 HA HIS A 137 5.743 3.485 -24.349 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.273 5.063 -22.245 1.00 0.00 H new ATOM 0 HB3 HIS A 137 6.165 5.769 -23.404 1.00 0.00 H new ATOM 0 HD1 HIS A 137 3.596 5.000 -23.217 1.00 0.00 H new ATOM 0 HD2 HIS A 137 6.070 4.031 -19.976 1.00 0.00 H new ATOM 0 HE1 HIS A 137 2.050 4.442 -21.273 1.00 0.00 H new ATOM 2121 N HIS A 138 8.992 3.987 -24.407 1.00 0.00 N ATOM 2122 CA HIS A 138 10.110 4.371 -25.262 1.00 0.00 C ATOM 2123 C HIS A 138 11.080 3.208 -25.442 1.00 0.00 C ATOM 2124 O HIS A 138 10.835 2.131 -24.899 1.00 0.00 O ATOM 2125 CB HIS A 138 10.845 5.584 -24.683 1.00 0.00 C ATOM 2126 CG HIS A 138 9.976 6.792 -24.520 1.00 0.00 C ATOM 2127 ND1 HIS A 138 9.740 7.683 -25.546 1.00 0.00 N ATOM 2128 CD2 HIS A 138 9.288 7.258 -23.451 1.00 0.00 C ATOM 2129 CE1 HIS A 138 8.941 8.644 -25.115 1.00 0.00 C ATOM 2130 NE2 HIS A 138 8.654 8.410 -23.848 1.00 0.00 N ATOM 0 H HIS A 138 9.265 3.610 -23.499 1.00 0.00 H new ATOM 0 HA HIS A 138 9.707 4.641 -26.238 1.00 0.00 H new ATOM 0 HB2 HIS A 138 11.264 5.315 -23.713 1.00 0.00 H new ATOM 0 HB3 HIS A 138 11.683 5.835 -25.334 1.00 0.00 H new ATOM 0 HD2 HIS A 138 9.246 6.808 -22.470 1.00 0.00 H new ATOM 0 HE1 HIS A 138 8.584 9.479 -25.700 1.00 0.00 H new ATOM 0 HE2 HIS A 138 8.058 8.991 -23.259 1.00 0.00 H new TER 2137 HIS A 138