USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 938 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 57 THR OG1 : rot -48:sc= 0.693 USER MOD Set 1.2: A 94 THR OG1 : rot 78:sc= 0.632 USER MOD Set 2.1: A 56 LYS NZ :NH3+ -138:sc= 1.02 (180deg=0) USER MOD Set 2.2: A 58 GLN : amide:sc= 0.876 K(o=1.9,f=-2.9) USER MOD Set 3.1: A 24 ASN : amide:sc= 0.306 K(o=0.077,f=-1.9) USER MOD Set 3.2: A 34 HIS : no HE2:sc= -0.229 K(o=0.077,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0237 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -178:sc= -0.0315 (180deg=-0.0393) USER MOD Single : A 20 ASN : amide:sc= -0.927 K(o=-0.93,f=-0.23) USER MOD Single : A 27 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.16) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -36:sc= 1.18 USER MOD Single : A 46 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.41) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.219 USER MOD Single : A 53 TYR OH : rot 30:sc= 0.547 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 0.894 (180deg=0.578) USER MOD Single : A 64 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.3) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.0037) USER MOD Single : A 78 SER OG : rot 180:sc= 0.106 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.574 K(o=0.57,f=-2.9!) USER MOD Single : A 83 MET CE :methyl -134:sc= -5.15! (180deg=-7.4!) USER MOD Single : A 91 SER OG : rot 31:sc= 0.667 USER MOD Single : A 92 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.037) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.269 USER MOD Single : A 96 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.18) USER MOD Single : A 101 ASN : amide:sc= 1.47 K(o=1.5,f=-9.4!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 91:sc= 0.754 USER MOD Single : A 115 ASN : amide:sc= 0.0842 K(o=0.084,f=-2!) USER MOD Single : A 116 THR OG1 : rot -175:sc= 1.49 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.189 -31.709 -0.911 1.00 0.00 N ATOM 2 CA GLY A 1 -13.783 -31.080 -2.097 1.00 0.00 C ATOM 3 C GLY A 1 -12.717 -30.406 -2.939 1.00 0.00 C ATOM 4 O GLY A 1 -11.606 -30.922 -3.043 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.548 -32.681 -0.817 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.154 -31.730 -1.011 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.444 -31.162 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.301 -31.832 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.529 -30.346 -1.790 1.00 0.00 H new ATOM 8 N SER A 2 -13.076 -29.260 -3.521 1.00 0.00 N ATOM 9 CA SER A 2 -12.239 -28.201 -4.084 1.00 0.00 C ATOM 10 C SER A 2 -10.970 -28.713 -4.778 1.00 0.00 C ATOM 11 O SER A 2 -9.913 -28.808 -4.155 1.00 0.00 O ATOM 12 CB SER A 2 -11.938 -27.186 -2.970 1.00 0.00 C ATOM 13 OG SER A 2 -13.091 -26.967 -2.160 1.00 0.00 O ATOM 0 H SER A 2 -14.064 -29.028 -3.619 1.00 0.00 H new ATOM 0 HA SER A 2 -12.791 -27.715 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.117 -27.550 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.612 -26.243 -3.409 1.00 0.00 H new ATOM 0 HG SER A 2 -12.878 -26.319 -1.456 1.00 0.00 H new ATOM 19 N SER A 3 -11.073 -29.093 -6.051 1.00 0.00 N ATOM 20 CA SER A 3 -9.908 -29.475 -6.838 1.00 0.00 C ATOM 21 C SER A 3 -9.034 -28.259 -7.149 1.00 0.00 C ATOM 22 O SER A 3 -9.502 -27.118 -7.162 1.00 0.00 O ATOM 23 CB SER A 3 -10.357 -30.133 -8.142 1.00 0.00 C ATOM 24 OG SER A 3 -10.712 -31.481 -7.890 1.00 0.00 O ATOM 0 H SER A 3 -11.956 -29.144 -6.558 1.00 0.00 H new ATOM 0 HA SER A 3 -9.319 -30.183 -6.255 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.207 -29.594 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.556 -30.088 -8.880 1.00 0.00 H new ATOM 0 HG SER A 3 -11.002 -31.904 -8.725 1.00 0.00 H new ATOM 30 N GLY A 4 -7.775 -28.565 -7.447 1.00 0.00 N ATOM 31 CA GLY A 4 -6.661 -27.653 -7.606 1.00 0.00 C ATOM 32 C GLY A 4 -5.529 -28.195 -6.741 1.00 0.00 C ATOM 33 O GLY A 4 -5.784 -28.816 -5.703 1.00 0.00 O ATOM 0 H GLY A 4 -7.492 -29.534 -7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.356 -27.592 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.938 -26.645 -7.296 1.00 0.00 H new ATOM 37 N SER A 5 -4.284 -27.998 -7.154 1.00 0.00 N ATOM 38 CA SER A 5 -3.156 -28.154 -6.249 1.00 0.00 C ATOM 39 C SER A 5 -3.077 -26.894 -5.383 1.00 0.00 C ATOM 40 O SER A 5 -3.581 -25.839 -5.778 1.00 0.00 O ATOM 41 CB SER A 5 -1.877 -28.347 -7.062 1.00 0.00 C ATOM 42 OG SER A 5 -2.069 -29.329 -8.068 1.00 0.00 O ATOM 0 H SER A 5 -4.032 -27.731 -8.106 1.00 0.00 H new ATOM 0 HA SER A 5 -3.279 -29.028 -5.609 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.584 -27.402 -7.520 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.063 -28.648 -6.403 1.00 0.00 H new ATOM 0 HG SER A 5 -1.241 -29.439 -8.580 1.00 0.00 H new ATOM 48 N SER A 6 -2.419 -26.987 -4.233 1.00 0.00 N ATOM 49 CA SER A 6 -2.176 -25.874 -3.327 1.00 0.00 C ATOM 50 C SER A 6 -0.734 -25.962 -2.811 1.00 0.00 C ATOM 51 O SER A 6 -0.066 -26.987 -3.004 1.00 0.00 O ATOM 52 CB SER A 6 -3.230 -25.924 -2.210 1.00 0.00 C ATOM 53 OG SER A 6 -4.217 -24.924 -2.380 1.00 0.00 O ATOM 0 H SER A 6 -2.028 -27.867 -3.896 1.00 0.00 H new ATOM 0 HA SER A 6 -2.274 -24.909 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.704 -26.906 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.743 -25.795 -1.243 1.00 0.00 H new ATOM 0 HG SER A 6 -4.873 -24.985 -1.654 1.00 0.00 H new ATOM 59 N GLY A 7 -0.252 -24.891 -2.175 1.00 0.00 N ATOM 60 CA GLY A 7 1.127 -24.759 -1.729 1.00 0.00 C ATOM 61 C GLY A 7 1.368 -23.385 -1.106 1.00 0.00 C ATOM 62 O GLY A 7 0.418 -22.685 -0.743 1.00 0.00 O ATOM 0 H GLY A 7 -0.826 -24.077 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.354 -25.538 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.802 -24.904 -2.573 1.00 0.00 H new ATOM 66 N HIS A 8 2.643 -23.001 -1.006 1.00 0.00 N ATOM 67 CA HIS A 8 3.164 -21.803 -0.350 1.00 0.00 C ATOM 68 C HIS A 8 2.950 -21.861 1.170 1.00 0.00 C ATOM 69 O HIS A 8 2.178 -21.068 1.722 1.00 0.00 O ATOM 70 CB HIS A 8 2.611 -20.505 -0.971 1.00 0.00 C ATOM 71 CG HIS A 8 2.719 -20.357 -2.467 1.00 0.00 C ATOM 72 ND1 HIS A 8 1.802 -19.707 -3.264 1.00 0.00 N ATOM 73 CD2 HIS A 8 3.770 -20.721 -3.262 1.00 0.00 C ATOM 74 CE1 HIS A 8 2.292 -19.654 -4.511 1.00 0.00 C ATOM 75 NE2 HIS A 8 3.482 -20.277 -4.560 1.00 0.00 N ATOM 0 H HIS A 8 3.392 -23.562 -1.412 1.00 0.00 H new ATOM 0 HA HIS A 8 4.240 -21.784 -0.524 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.559 -20.422 -0.698 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.128 -19.663 -0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.657 -21.252 -2.948 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.804 -19.181 -5.350 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.066 -20.403 -5.387 1.00 0.00 H new ATOM 83 N SER A 9 3.642 -22.775 1.858 1.00 0.00 N ATOM 84 CA SER A 9 3.395 -23.095 3.266 1.00 0.00 C ATOM 85 C SER A 9 4.686 -23.091 4.089 1.00 0.00 C ATOM 86 O SER A 9 5.632 -23.802 3.731 1.00 0.00 O ATOM 87 CB SER A 9 2.739 -24.481 3.355 1.00 0.00 C ATOM 88 OG SER A 9 1.681 -24.645 2.428 1.00 0.00 O ATOM 0 H SER A 9 4.399 -23.320 1.446 1.00 0.00 H new ATOM 0 HA SER A 9 2.738 -22.329 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.493 -25.248 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.359 -24.634 4.365 1.00 0.00 H new ATOM 0 HG SER A 9 1.299 -25.542 2.523 1.00 0.00 H new ATOM 94 N GLY A 10 4.692 -22.363 5.207 1.00 0.00 N ATOM 95 CA GLY A 10 5.746 -22.277 6.214 1.00 0.00 C ATOM 96 C GLY A 10 5.116 -22.185 7.610 1.00 0.00 C ATOM 97 O GLY A 10 3.930 -22.486 7.769 1.00 0.00 O ATOM 0 H GLY A 10 3.896 -21.772 5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.394 -23.152 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.371 -21.404 6.027 1.00 0.00 H new ATOM 101 N GLU A 11 5.911 -21.837 8.625 1.00 0.00 N ATOM 102 CA GLU A 11 5.496 -21.837 10.029 1.00 0.00 C ATOM 103 C GLU A 11 4.858 -20.514 10.437 1.00 0.00 C ATOM 104 O GLU A 11 3.665 -20.479 10.712 1.00 0.00 O ATOM 105 CB GLU A 11 6.682 -22.154 10.945 1.00 0.00 C ATOM 106 CG GLU A 11 6.966 -23.656 10.960 1.00 0.00 C ATOM 107 CD GLU A 11 6.056 -24.470 11.891 1.00 0.00 C ATOM 108 OE1 GLU A 11 4.892 -24.093 12.149 1.00 0.00 O ATOM 109 OE2 GLU A 11 6.524 -25.548 12.332 1.00 0.00 O ATOM 0 H GLU A 11 6.878 -21.542 8.491 1.00 0.00 H new ATOM 0 HA GLU A 11 4.742 -22.616 10.139 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.566 -21.615 10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.469 -21.809 11.957 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.864 -24.042 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.003 -23.813 11.258 1.00 0.00 H new ATOM 116 N ASP A 12 5.633 -19.431 10.525 1.00 0.00 N ATOM 117 CA ASP A 12 5.127 -18.162 11.054 1.00 0.00 C ATOM 118 C ASP A 12 4.720 -17.227 9.922 1.00 0.00 C ATOM 119 O ASP A 12 3.998 -16.272 10.184 1.00 0.00 O ATOM 120 CB ASP A 12 6.169 -17.444 11.929 1.00 0.00 C ATOM 121 CG ASP A 12 6.304 -18.003 13.340 1.00 0.00 C ATOM 122 OD1 ASP A 12 6.988 -19.045 13.484 1.00 0.00 O ATOM 123 OD2 ASP A 12 5.811 -17.370 14.304 1.00 0.00 O ATOM 0 H ASP A 12 6.611 -19.407 10.238 1.00 0.00 H new ATOM 0 HA ASP A 12 4.260 -18.408 11.668 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.139 -17.500 11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.905 -16.389 11.994 1.00 0.00 H new ATOM 128 N LEU A 13 5.186 -17.434 8.686 1.00 0.00 N ATOM 129 CA LEU A 13 4.874 -16.550 7.566 1.00 0.00 C ATOM 130 C LEU A 13 3.385 -16.603 7.188 1.00 0.00 C ATOM 131 O LEU A 13 2.795 -17.687 7.197 1.00 0.00 O ATOM 132 CB LEU A 13 5.717 -16.924 6.339 1.00 0.00 C ATOM 133 CG LEU A 13 7.145 -16.357 6.342 1.00 0.00 C ATOM 134 CD1 LEU A 13 7.888 -16.883 5.115 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.162 -14.823 6.310 1.00 0.00 C ATOM 0 H LEU A 13 5.789 -18.218 8.438 1.00 0.00 H new ATOM 0 HA LEU A 13 5.110 -15.535 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.773 -18.010 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.204 -16.575 5.443 1.00 0.00 H new ATOM 0 HG LEU A 13 7.628 -16.677 7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.903 -16.487 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.924 -17.972 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.368 -16.566 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.193 -14.470 6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.662 -14.472 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.643 -14.435 7.187 1.00 0.00 H new ATOM 147 N PRO A 14 2.795 -15.463 6.784 1.00 0.00 N ATOM 148 CA PRO A 14 1.397 -15.376 6.381 1.00 0.00 C ATOM 149 C PRO A 14 1.160 -16.032 5.016 1.00 0.00 C ATOM 150 O PRO A 14 2.028 -16.018 4.135 1.00 0.00 O ATOM 151 CB PRO A 14 1.090 -13.879 6.301 1.00 0.00 C ATOM 152 CG PRO A 14 2.437 -13.297 5.923 1.00 0.00 C ATOM 153 CD PRO A 14 3.448 -14.173 6.623 1.00 0.00 C ATOM 0 HA PRO A 14 0.754 -15.898 7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.327 -13.659 5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.729 -13.486 7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.584 -13.309 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.523 -12.259 6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.361 -14.266 6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.731 -13.753 7.588 1.00 0.00 H new ATOM 161 N MET A 15 -0.064 -16.523 4.816 1.00 0.00 N ATOM 162 CA MET A 15 -0.394 -17.445 3.740 1.00 0.00 C ATOM 163 C MET A 15 -1.247 -16.826 2.637 1.00 0.00 C ATOM 164 O MET A 15 -1.017 -17.168 1.477 1.00 0.00 O ATOM 165 CB MET A 15 -1.100 -18.679 4.319 1.00 0.00 C ATOM 166 CG MET A 15 -0.150 -19.475 5.223 1.00 0.00 C ATOM 167 SD MET A 15 -0.720 -21.129 5.690 1.00 0.00 S ATOM 168 CE MET A 15 -2.258 -20.750 6.561 1.00 0.00 C ATOM 0 H MET A 15 -0.861 -16.285 5.407 1.00 0.00 H new ATOM 0 HA MET A 15 0.549 -17.725 3.271 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.976 -18.369 4.888 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.455 -19.314 3.508 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.810 -19.570 4.716 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.025 -18.900 6.132 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.700 -21.673 6.936 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.048 -20.082 7.397 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.954 -20.266 5.876 1.00 0.00 H new ATOM 178 N VAL A 16 -2.230 -15.964 2.940 1.00 0.00 N ATOM 179 CA VAL A 16 -3.200 -15.513 1.932 1.00 0.00 C ATOM 180 C VAL A 16 -3.431 -13.996 1.955 1.00 0.00 C ATOM 181 O VAL A 16 -3.333 -13.351 3.001 1.00 0.00 O ATOM 182 CB VAL A 16 -4.512 -16.334 1.988 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.264 -17.832 1.743 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.395 -16.172 3.226 1.00 0.00 C ATOM 0 H VAL A 16 -2.373 -15.568 3.869 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.754 -15.713 0.958 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.083 -15.886 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.211 -18.370 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.817 -17.971 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.588 -18.218 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.277 -16.804 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.834 -16.465 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.703 -15.131 3.319 1.00 0.00 H new ATOM 194 N ALA A 17 -3.708 -13.439 0.773 1.00 0.00 N ATOM 195 CA ALA A 17 -3.998 -12.039 0.508 1.00 0.00 C ATOM 196 C ALA A 17 -5.473 -11.745 0.801 1.00 0.00 C ATOM 197 O ALA A 17 -6.301 -12.662 0.705 1.00 0.00 O ATOM 198 CB ALA A 17 -3.747 -11.762 -0.982 1.00 0.00 C ATOM 0 H ALA A 17 -3.736 -13.999 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.364 -11.415 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.960 -10.715 -1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.706 -11.978 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.397 -12.397 -1.585 1.00 0.00 H new ATOM 204 N PRO A 18 -5.819 -10.472 1.067 1.00 0.00 N ATOM 205 CA PRO A 18 -7.189 -10.080 1.333 1.00 0.00 C ATOM 206 C PRO A 18 -8.071 -10.198 0.098 1.00 0.00 C ATOM 207 O PRO A 18 -7.592 -10.255 -1.036 1.00 0.00 O ATOM 208 CB PRO A 18 -7.138 -8.650 1.875 1.00 0.00 C ATOM 209 CG PRO A 18 -5.809 -8.104 1.405 1.00 0.00 C ATOM 210 CD PRO A 18 -4.925 -9.332 1.185 1.00 0.00 C ATOM 0 HA PRO A 18 -7.644 -10.749 2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.967 -8.053 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.208 -8.637 2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.922 -7.531 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.374 -7.434 2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.321 -9.218 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.234 -9.466 2.017 1.00 0.00 H new ATOM 218 N GLY A 19 -9.372 -10.198 0.383 1.00 0.00 N ATOM 219 CA GLY A 19 -10.470 -10.391 -0.538 1.00 0.00 C ATOM 220 C GLY A 19 -10.638 -9.296 -1.577 1.00 0.00 C ATOM 221 O GLY A 19 -9.686 -8.687 -2.060 1.00 0.00 O ATOM 0 H GLY A 19 -9.701 -10.051 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.329 -11.341 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.394 -10.473 0.034 1.00 0.00 H new ATOM 225 N ASN A 20 -11.890 -9.086 -1.971 1.00 0.00 N ATOM 226 CA ASN A 20 -12.293 -8.218 -3.067 1.00 0.00 C ATOM 227 C ASN A 20 -12.022 -6.737 -2.789 1.00 0.00 C ATOM 228 O ASN A 20 -12.934 -5.964 -2.509 1.00 0.00 O ATOM 229 CB ASN A 20 -13.747 -8.516 -3.469 1.00 0.00 C ATOM 230 CG ASN A 20 -14.790 -8.410 -2.358 1.00 0.00 C ATOM 231 OD1 ASN A 20 -15.213 -9.424 -1.805 1.00 0.00 O ATOM 232 ND2 ASN A 20 -15.231 -7.210 -2.032 1.00 0.00 N ATOM 0 H ASN A 20 -12.683 -9.536 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.664 -8.444 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.028 -7.831 -4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.788 -9.524 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.940 -7.107 -1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.863 -6.385 -2.506 1.00 0.00 H new ATOM 239 N VAL A 21 -10.774 -6.306 -2.939 1.00 0.00 N ATOM 240 CA VAL A 21 -10.366 -4.930 -2.720 1.00 0.00 C ATOM 241 C VAL A 21 -11.244 -4.001 -3.556 1.00 0.00 C ATOM 242 O VAL A 21 -11.575 -4.321 -4.704 1.00 0.00 O ATOM 243 CB VAL A 21 -8.862 -4.770 -3.018 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.339 -3.369 -2.692 1.00 0.00 C ATOM 245 CG2 VAL A 21 -8.058 -5.750 -2.156 1.00 0.00 C ATOM 0 H VAL A 21 -10.007 -6.917 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.506 -4.654 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.741 -4.960 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.275 -3.315 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.877 -2.632 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.492 -3.161 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.995 -5.635 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.242 -5.542 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.365 -6.771 -2.384 1.00 0.00 H new ATOM 255 N ARG A 22 -11.624 -2.866 -2.979 1.00 0.00 N ATOM 256 CA ARG A 22 -12.306 -1.760 -3.647 1.00 0.00 C ATOM 257 C ARG A 22 -11.449 -0.523 -3.449 1.00 0.00 C ATOM 258 O ARG A 22 -10.647 -0.493 -2.518 1.00 0.00 O ATOM 259 CB ARG A 22 -13.702 -1.504 -3.052 1.00 0.00 C ATOM 260 CG ARG A 22 -14.522 -2.764 -2.739 1.00 0.00 C ATOM 261 CD ARG A 22 -14.329 -3.199 -1.283 1.00 0.00 C ATOM 262 NE ARG A 22 -15.167 -4.325 -0.880 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.382 -4.200 -0.337 1.00 0.00 C ATOM 264 NH1 ARG A 22 -17.131 -3.120 -0.548 1.00 0.00 N ATOM 265 NH2 ARG A 22 -16.843 -5.171 0.436 1.00 0.00 N ATOM 0 H ARG A 22 -11.458 -2.682 -1.989 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.440 -2.003 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.588 -0.927 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.268 -0.886 -3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.578 -2.571 -2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.222 -3.572 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.283 -3.466 -1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.540 -2.351 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.802 -5.267 -1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.781 -2.363 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.055 -3.049 -0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.273 -5.999 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.768 -5.091 0.858 1.00 0.00 H new ATOM 279 N VAL A 23 -11.587 0.496 -4.286 1.00 0.00 N ATOM 280 CA VAL A 23 -10.992 1.793 -4.038 1.00 0.00 C ATOM 281 C VAL A 23 -11.907 2.869 -4.593 1.00 0.00 C ATOM 282 O VAL A 23 -12.320 2.814 -5.751 1.00 0.00 O ATOM 283 CB VAL A 23 -9.533 1.842 -4.508 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.199 0.802 -5.573 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.010 3.254 -4.777 1.00 0.00 C ATOM 0 H VAL A 23 -12.116 0.442 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.913 1.989 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.942 1.525 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.151 0.896 -5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.379 -0.197 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.828 0.963 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.972 3.201 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.613 3.723 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.072 3.845 -3.863 1.00 0.00 H new ATOM 295 N ASN A 24 -12.281 3.781 -3.710 1.00 0.00 N ATOM 296 CA ASN A 24 -13.296 4.802 -3.859 1.00 0.00 C ATOM 297 C ASN A 24 -12.691 6.154 -3.578 1.00 0.00 C ATOM 298 O ASN A 24 -12.416 6.500 -2.423 1.00 0.00 O ATOM 299 CB ASN A 24 -14.507 4.512 -2.975 1.00 0.00 C ATOM 300 CG ASN A 24 -14.292 3.599 -1.767 1.00 0.00 C ATOM 301 OD1 ASN A 24 -14.146 2.388 -1.916 1.00 0.00 O ATOM 302 ND2 ASN A 24 -14.277 4.143 -0.565 1.00 0.00 N ATOM 0 H ASN A 24 -11.841 3.826 -2.791 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.662 4.800 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.896 5.464 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.282 4.068 -3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.143 3.556 0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.400 5.150 -0.459 1.00 0.00 H new ATOM 309 N VAL A 25 -12.405 6.899 -4.638 1.00 0.00 N ATOM 310 CA VAL A 25 -11.680 8.124 -4.543 1.00 0.00 C ATOM 311 C VAL A 25 -12.558 9.211 -3.954 1.00 0.00 C ATOM 312 O VAL A 25 -13.618 9.541 -4.485 1.00 0.00 O ATOM 313 CB VAL A 25 -10.920 8.455 -5.823 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.550 7.211 -6.627 1.00 0.00 C ATOM 315 CG2 VAL A 25 -11.420 9.631 -6.660 1.00 0.00 C ATOM 0 H VAL A 25 -12.680 6.653 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.865 8.020 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.987 8.874 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.011 7.507 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.917 6.562 -6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.457 6.675 -6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.785 9.749 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.446 9.442 -6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.387 10.543 -6.063 1.00 0.00 H new ATOM 325 N VAL A 26 -12.141 9.689 -2.791 1.00 0.00 N ATOM 326 CA VAL A 26 -12.921 10.624 -2.011 1.00 0.00 C ATOM 327 C VAL A 26 -12.929 11.959 -2.761 1.00 0.00 C ATOM 328 O VAL A 26 -13.999 12.541 -2.951 1.00 0.00 O ATOM 329 CB VAL A 26 -12.332 10.735 -0.584 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.205 11.654 0.270 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.189 9.362 0.129 1.00 0.00 C ATOM 0 H VAL A 26 -11.249 9.436 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.951 10.290 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.329 11.148 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.784 11.727 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.240 12.645 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.214 11.246 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.771 9.511 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.169 8.892 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.527 8.718 -0.450 1.00 0.00 H new ATOM 341 N ASN A 27 -11.737 12.421 -3.166 1.00 0.00 N ATOM 342 CA ASN A 27 -11.444 13.782 -3.613 1.00 0.00 C ATOM 343 C ASN A 27 -10.499 13.718 -4.820 1.00 0.00 C ATOM 344 O ASN A 27 -10.338 12.656 -5.415 1.00 0.00 O ATOM 345 CB ASN A 27 -10.787 14.556 -2.460 1.00 0.00 C ATOM 346 CG ASN A 27 -11.626 14.633 -1.202 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.751 15.120 -1.208 1.00 0.00 O ATOM 348 ND2 ASN A 27 -11.076 14.121 -0.116 1.00 0.00 N ATOM 0 H ASN A 27 -10.912 11.821 -3.190 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.362 14.292 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.834 14.085 -2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.566 15.569 -2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.591 14.120 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.136 13.726 -0.158 1.00 0.00 H new ATOM 355 N SER A 28 -9.839 14.817 -5.197 1.00 0.00 N ATOM 356 CA SER A 28 -8.881 14.798 -6.314 1.00 0.00 C ATOM 357 C SER A 28 -7.539 14.167 -5.944 1.00 0.00 C ATOM 358 O SER A 28 -6.869 13.620 -6.811 1.00 0.00 O ATOM 359 CB SER A 28 -8.610 16.196 -6.879 1.00 0.00 C ATOM 360 OG SER A 28 -8.910 17.244 -5.988 1.00 0.00 O ATOM 0 H SER A 28 -9.947 15.728 -4.750 1.00 0.00 H new ATOM 0 HA SER A 28 -9.366 14.183 -7.072 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.560 16.264 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.195 16.328 -7.789 1.00 0.00 H new ATOM 0 HG SER A 28 -8.711 18.103 -6.415 1.00 0.00 H new ATOM 366 N THR A 29 -7.142 14.278 -4.680 1.00 0.00 N ATOM 367 CA THR A 29 -5.801 13.959 -4.192 1.00 0.00 C ATOM 368 C THR A 29 -5.867 12.944 -3.048 1.00 0.00 C ATOM 369 O THR A 29 -4.884 12.740 -2.331 1.00 0.00 O ATOM 370 CB THR A 29 -5.136 15.274 -3.759 1.00 0.00 C ATOM 371 OG1 THR A 29 -6.032 15.991 -2.928 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.839 16.140 -4.978 1.00 0.00 C ATOM 0 H THR A 29 -7.765 14.603 -3.941 1.00 0.00 H new ATOM 0 HA THR A 29 -5.205 13.494 -4.978 1.00 0.00 H new ATOM 0 HB THR A 29 -4.210 15.042 -3.233 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.615 16.831 -2.645 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.368 17.069 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.167 15.605 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.769 16.366 -5.499 1.00 0.00 H new ATOM 380 N LEU A 30 -7.048 12.348 -2.855 1.00 0.00 N ATOM 381 CA LEU A 30 -7.380 11.499 -1.733 1.00 0.00 C ATOM 382 C LEU A 30 -8.280 10.389 -2.240 1.00 0.00 C ATOM 383 O LEU A 30 -9.251 10.657 -2.960 1.00 0.00 O ATOM 384 CB LEU A 30 -8.080 12.333 -0.656 1.00 0.00 C ATOM 385 CG LEU A 30 -8.085 11.734 0.749 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.025 10.546 0.859 1.00 0.00 C ATOM 387 CD2 LEU A 30 -6.665 11.405 1.233 1.00 0.00 C ATOM 0 H LEU A 30 -7.823 12.456 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.485 11.063 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.601 13.311 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.112 12.497 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.475 12.498 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.996 10.152 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.041 10.862 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.714 9.770 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.712 10.981 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.207 10.684 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.067 12.316 1.252 1.00 0.00 H new ATOM 399 N ALA A 31 -8.021 9.164 -1.805 1.00 0.00 N ATOM 400 CA ALA A 31 -8.830 8.010 -2.160 1.00 0.00 C ATOM 401 C ALA A 31 -8.988 7.118 -0.946 1.00 0.00 C ATOM 402 O ALA A 31 -8.267 7.311 0.036 1.00 0.00 O ATOM 403 CB ALA A 31 -8.222 7.271 -3.359 1.00 0.00 C ATOM 0 H ALA A 31 -7.237 8.943 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.824 8.334 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.843 6.410 -3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.174 7.944 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.217 6.933 -3.106 1.00 0.00 H new ATOM 409 N GLU A 32 -9.920 6.163 -0.973 1.00 0.00 N ATOM 410 CA GLU A 32 -10.076 5.264 0.137 1.00 0.00 C ATOM 411 C GLU A 32 -10.100 3.866 -0.443 1.00 0.00 C ATOM 412 O GLU A 32 -10.900 3.579 -1.323 1.00 0.00 O ATOM 413 CB GLU A 32 -11.358 5.673 0.832 1.00 0.00 C ATOM 414 CG GLU A 32 -11.616 4.837 2.063 1.00 0.00 C ATOM 415 CD GLU A 32 -11.333 5.570 3.369 1.00 0.00 C ATOM 416 OE1 GLU A 32 -12.241 6.258 3.886 1.00 0.00 O ATOM 417 OE2 GLU A 32 -10.175 5.497 3.857 1.00 0.00 O ATOM 0 H GLU A 32 -10.564 6.005 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.276 5.294 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.301 6.725 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.195 5.572 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.656 4.509 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.999 3.940 2.019 1.00 0.00 H new ATOM 424 N VAL A 33 -9.177 3.026 -0.007 1.00 0.00 N ATOM 425 CA VAL A 33 -9.066 1.640 -0.430 1.00 0.00 C ATOM 426 C VAL A 33 -9.766 0.827 0.647 1.00 0.00 C ATOM 427 O VAL A 33 -9.595 1.133 1.827 1.00 0.00 O ATOM 428 CB VAL A 33 -7.584 1.239 -0.552 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.471 -0.183 -1.109 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.798 2.170 -1.483 1.00 0.00 C ATOM 0 H VAL A 33 -8.464 3.297 0.670 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.518 1.472 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.161 1.308 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.420 -0.459 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.976 -0.878 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.936 -0.226 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.760 1.842 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.236 2.141 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.839 3.189 -1.098 1.00 0.00 H new ATOM 440 N HIS A 34 -10.489 -0.222 0.263 1.00 0.00 N ATOM 441 CA HIS A 34 -11.149 -1.126 1.210 1.00 0.00 C ATOM 442 C HIS A 34 -10.759 -2.564 0.924 1.00 0.00 C ATOM 443 O HIS A 34 -10.531 -2.909 -0.237 1.00 0.00 O ATOM 444 CB HIS A 34 -12.670 -1.011 1.108 1.00 0.00 C ATOM 445 CG HIS A 34 -13.232 0.257 1.679 1.00 0.00 C ATOM 446 ND1 HIS A 34 -13.775 0.422 2.935 1.00 0.00 N ATOM 447 CD2 HIS A 34 -13.295 1.456 1.032 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.155 1.706 3.044 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.917 2.362 1.894 1.00 0.00 N ATOM 0 H HIS A 34 -10.636 -0.472 -0.715 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.829 -0.841 2.212 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.959 -1.083 0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.122 -1.859 1.622 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -13.871 -0.299 3.651 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.931 1.666 0.037 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -14.589 2.148 3.928 1.00 0.00 H new ATOM 457 N TRP A 35 -10.748 -3.403 1.957 1.00 0.00 N ATOM 458 CA TRP A 35 -10.463 -4.827 1.879 1.00 0.00 C ATOM 459 C TRP A 35 -11.199 -5.572 3.006 1.00 0.00 C ATOM 460 O TRP A 35 -11.897 -4.964 3.823 1.00 0.00 O ATOM 461 CB TRP A 35 -8.938 -5.016 1.927 1.00 0.00 C ATOM 462 CG TRP A 35 -8.238 -4.479 3.140 1.00 0.00 C ATOM 463 CD1 TRP A 35 -8.066 -5.151 4.299 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.638 -3.163 3.354 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.435 -4.342 5.215 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.118 -3.117 4.680 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.494 -1.993 2.577 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.477 -1.987 5.206 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.854 -0.849 3.092 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.329 -0.850 4.396 1.00 0.00 C ATOM 0 H TRP A 35 -10.946 -3.093 2.908 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.826 -5.253 0.944 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.723 -6.082 1.852 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.507 -4.541 1.045 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.377 -6.169 4.479 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.228 -4.618 6.175 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.882 -1.975 1.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.103 -1.991 6.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.766 0.036 2.480 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.814 0.021 4.773 1.00 0.00 H new ATOM 481 N ASP A 36 -11.058 -6.900 3.060 1.00 0.00 N ATOM 482 CA ASP A 36 -11.571 -7.717 4.163 1.00 0.00 C ATOM 483 C ASP A 36 -10.418 -8.079 5.090 1.00 0.00 C ATOM 484 O ASP A 36 -9.318 -8.339 4.596 1.00 0.00 O ATOM 485 CB ASP A 36 -12.262 -9.003 3.668 1.00 0.00 C ATOM 486 CG ASP A 36 -13.782 -8.929 3.804 1.00 0.00 C ATOM 487 OD1 ASP A 36 -14.291 -8.400 4.811 1.00 0.00 O ATOM 488 OD2 ASP A 36 -14.488 -9.372 2.860 1.00 0.00 O ATOM 0 H ASP A 36 -10.583 -7.440 2.337 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.322 -7.131 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.000 -9.176 2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.889 -9.856 4.235 1.00 0.00 H new ATOM 493 N PRO A 37 -10.647 -8.115 6.413 1.00 0.00 N ATOM 494 CA PRO A 37 -9.652 -8.535 7.374 1.00 0.00 C ATOM 495 C PRO A 37 -9.474 -10.045 7.226 1.00 0.00 C ATOM 496 O PRO A 37 -10.404 -10.820 7.498 1.00 0.00 O ATOM 497 CB PRO A 37 -10.192 -8.122 8.744 1.00 0.00 C ATOM 498 CG PRO A 37 -11.712 -8.151 8.562 1.00 0.00 C ATOM 499 CD PRO A 37 -11.932 -7.934 7.067 1.00 0.00 C ATOM 0 HA PRO A 37 -8.671 -8.081 7.232 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.870 -8.810 9.525 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.842 -7.130 9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.131 -9.103 8.889 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.195 -7.371 9.150 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.664 -8.642 6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.323 -6.935 6.877 1.00 0.00 H new ATOM 507 N VAL A 38 -8.311 -10.465 6.736 1.00 0.00 N ATOM 508 CA VAL A 38 -8.010 -11.882 6.608 1.00 0.00 C ATOM 509 C VAL A 38 -7.906 -12.508 8.010 1.00 0.00 C ATOM 510 O VAL A 38 -7.675 -11.815 9.010 1.00 0.00 O ATOM 511 CB VAL A 38 -6.773 -12.120 5.720 1.00 0.00 C ATOM 512 CG1 VAL A 38 -7.058 -11.733 4.276 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.550 -11.349 6.178 1.00 0.00 C ATOM 0 H VAL A 38 -7.565 -9.844 6.423 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.824 -12.389 6.089 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.560 -13.186 5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.170 -11.910 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.884 -12.334 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.325 -10.677 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.715 -11.561 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.766 -10.281 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.289 -11.650 7.192 1.00 0.00 H new ATOM 523 N PRO A 39 -8.117 -13.825 8.120 1.00 0.00 N ATOM 524 CA PRO A 39 -8.194 -14.491 9.399 1.00 0.00 C ATOM 525 C PRO A 39 -6.777 -14.689 9.926 1.00 0.00 C ATOM 526 O PRO A 39 -5.866 -15.001 9.155 1.00 0.00 O ATOM 527 CB PRO A 39 -8.921 -15.806 9.110 1.00 0.00 C ATOM 528 CG PRO A 39 -8.588 -16.115 7.651 1.00 0.00 C ATOM 529 CD PRO A 39 -8.288 -14.758 7.025 1.00 0.00 C ATOM 0 HA PRO A 39 -8.729 -13.934 10.168 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.580 -16.602 9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.996 -15.706 9.259 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.731 -16.784 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.422 -16.606 7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.388 -14.805 6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.102 -14.444 6.372 1.00 0.00 H new ATOM 537 N LEU A 40 -6.595 -14.572 11.242 1.00 0.00 N ATOM 538 CA LEU A 40 -5.279 -14.698 11.872 1.00 0.00 C ATOM 539 C LEU A 40 -4.668 -16.067 11.583 1.00 0.00 C ATOM 540 O LEU A 40 -3.451 -16.177 11.485 1.00 0.00 O ATOM 541 CB LEU A 40 -5.367 -14.439 13.386 1.00 0.00 C ATOM 542 CG LEU A 40 -5.329 -12.953 13.805 1.00 0.00 C ATOM 543 CD1 LEU A 40 -3.917 -12.364 13.734 1.00 0.00 C ATOM 544 CD2 LEU A 40 -6.319 -12.085 13.020 1.00 0.00 C ATOM 0 H LEU A 40 -7.353 -14.388 11.900 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.624 -13.941 11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.290 -14.881 13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.543 -14.959 13.875 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.645 -12.939 14.848 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.944 -11.318 14.038 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.257 -12.919 14.401 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.544 -12.436 12.712 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.245 -11.052 13.359 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.084 -12.135 11.957 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.333 -12.450 13.185 1.00 0.00 H new ATOM 556 N LYS A 41 -5.498 -17.091 11.359 1.00 0.00 N ATOM 557 CA LYS A 41 -5.029 -18.404 10.948 1.00 0.00 C ATOM 558 C LYS A 41 -4.268 -18.371 9.622 1.00 0.00 C ATOM 559 O LYS A 41 -3.261 -19.060 9.501 1.00 0.00 O ATOM 560 CB LYS A 41 -6.218 -19.378 10.893 1.00 0.00 C ATOM 561 CG LYS A 41 -5.773 -20.835 11.037 1.00 0.00 C ATOM 562 CD LYS A 41 -5.334 -21.157 12.466 1.00 0.00 C ATOM 563 CE LYS A 41 -4.641 -22.516 12.556 1.00 0.00 C ATOM 564 NZ LYS A 41 -5.453 -23.489 13.304 1.00 0.00 N ATOM 0 H LYS A 41 -6.511 -17.026 11.459 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.312 -18.753 11.691 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.923 -19.134 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.746 -19.252 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.592 -21.495 10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.950 -21.033 10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.657 -20.380 12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.203 -21.148 13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.451 -22.895 11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.672 -22.400 13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.953 -24.400 13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.613 -23.138 14.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.368 -23.618 12.826 1.00 0.00 H new ATOM 578 N SER A 42 -4.698 -17.563 8.647 1.00 0.00 N ATOM 579 CA SER A 42 -3.920 -17.378 7.427 1.00 0.00 C ATOM 580 C SER A 42 -2.619 -16.643 7.734 1.00 0.00 C ATOM 581 O SER A 42 -1.570 -16.990 7.200 1.00 0.00 O ATOM 582 CB SER A 42 -4.713 -16.628 6.352 1.00 0.00 C ATOM 583 OG SER A 42 -4.978 -15.273 6.673 1.00 0.00 O ATOM 0 H SER A 42 -5.570 -17.035 8.681 1.00 0.00 H new ATOM 0 HA SER A 42 -3.688 -18.368 7.033 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.160 -16.667 5.413 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.659 -17.144 6.187 1.00 0.00 H new ATOM 0 HG SER A 42 -5.150 -15.192 7.634 1.00 0.00 H new ATOM 589 N ILE A 43 -2.702 -15.620 8.589 1.00 0.00 N ATOM 590 CA ILE A 43 -1.593 -14.740 8.903 1.00 0.00 C ATOM 591 C ILE A 43 -0.520 -15.518 9.675 1.00 0.00 C ATOM 592 O ILE A 43 0.631 -15.103 9.641 1.00 0.00 O ATOM 593 CB ILE A 43 -2.099 -13.482 9.651 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.163 -12.713 8.825 1.00 0.00 C ATOM 595 CG2 ILE A 43 -0.960 -12.491 9.966 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.077 -11.845 9.697 1.00 0.00 C ATOM 0 H ILE A 43 -3.560 -15.383 9.087 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.126 -14.381 7.986 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.533 -13.855 10.579 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.661 -12.082 8.092 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.770 -13.427 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.365 -11.626 10.491 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.215 -12.980 10.594 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.493 -12.166 9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.801 -11.331 9.065 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.603 -12.476 10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.477 -11.110 10.234 1.00 0.00 H new ATOM 608 N ARG A 44 -0.857 -16.626 10.352 1.00 0.00 N ATOM 609 CA ARG A 44 0.049 -17.481 11.130 1.00 0.00 C ATOM 610 C ARG A 44 0.825 -16.737 12.225 1.00 0.00 C ATOM 611 O ARG A 44 1.719 -17.313 12.850 1.00 0.00 O ATOM 612 CB ARG A 44 0.960 -18.290 10.185 1.00 0.00 C ATOM 613 CG ARG A 44 0.152 -19.298 9.340 1.00 0.00 C ATOM 614 CD ARG A 44 0.800 -20.681 9.235 1.00 0.00 C ATOM 615 NE ARG A 44 0.921 -21.296 10.567 1.00 0.00 N ATOM 616 CZ ARG A 44 1.229 -22.557 10.870 1.00 0.00 C ATOM 617 NH1 ARG A 44 1.252 -23.505 9.940 1.00 0.00 N ATOM 618 NH2 ARG A 44 1.490 -22.847 12.137 1.00 0.00 N ATOM 0 H ARG A 44 -1.818 -16.966 10.372 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.572 -18.183 11.686 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.496 -17.609 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.710 -18.823 10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.842 -19.406 9.774 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.020 -18.892 8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.202 -21.321 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.785 -20.594 8.777 1.00 0.00 H new ATOM 0 HE ARG A 44 0.747 -20.678 11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.031 -23.275 8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.491 -24.463 10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.452 -22.115 12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.729 -23.802 12.403 1.00 0.00 H new ATOM 632 N GLY A 45 0.454 -15.496 12.519 1.00 0.00 N ATOM 633 CA GLY A 45 1.083 -14.617 13.476 1.00 0.00 C ATOM 634 C GLY A 45 0.170 -13.419 13.695 1.00 0.00 C ATOM 635 O GLY A 45 -0.894 -13.317 13.082 1.00 0.00 O ATOM 0 H GLY A 45 -0.345 -15.057 12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.255 -15.140 14.417 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.056 -14.291 13.110 1.00 0.00 H new ATOM 639 N HIS A 46 0.578 -12.503 14.568 1.00 0.00 N ATOM 640 CA HIS A 46 -0.142 -11.261 14.794 1.00 0.00 C ATOM 641 C HIS A 46 0.100 -10.349 13.599 1.00 0.00 C ATOM 642 O HIS A 46 1.252 -10.068 13.263 1.00 0.00 O ATOM 643 CB HIS A 46 0.316 -10.632 16.121 1.00 0.00 C ATOM 644 CG HIS A 46 -0.044 -11.473 17.325 1.00 0.00 C ATOM 645 ND1 HIS A 46 0.683 -11.593 18.489 1.00 0.00 N ATOM 646 CD2 HIS A 46 -1.143 -12.278 17.445 1.00 0.00 C ATOM 647 CE1 HIS A 46 0.043 -12.467 19.286 1.00 0.00 C ATOM 648 NE2 HIS A 46 -1.069 -12.928 18.683 1.00 0.00 N ATOM 0 H HIS A 46 1.418 -12.604 15.138 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.215 -11.434 14.882 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.396 -10.487 16.095 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.136 -9.645 16.225 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.929 -12.392 16.714 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.375 -12.758 20.272 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.726 -13.614 19.054 1.00 0.00 H new ATOM 656 N LEU A 47 -0.983 -9.921 12.949 1.00 0.00 N ATOM 657 CA LEU A 47 -0.963 -8.970 11.848 1.00 0.00 C ATOM 658 C LEU A 47 -0.293 -7.685 12.329 1.00 0.00 C ATOM 659 O LEU A 47 -0.859 -6.983 13.174 1.00 0.00 O ATOM 660 CB LEU A 47 -2.404 -8.694 11.392 1.00 0.00 C ATOM 661 CG LEU A 47 -2.494 -7.658 10.254 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.308 -8.289 8.873 1.00 0.00 C ATOM 663 CD2 LEU A 47 -3.841 -6.956 10.303 1.00 0.00 C ATOM 0 H LEU A 47 -1.923 -10.238 13.184 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.404 -9.371 11.003 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.858 -9.628 11.061 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.986 -8.340 12.243 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.684 -6.944 10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.380 -7.517 8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.328 -8.763 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.083 -9.038 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.900 -6.225 9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.638 -7.690 10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.952 -6.449 11.261 1.00 0.00 H new ATOM 675 N GLN A 48 0.888 -7.385 11.785 1.00 0.00 N ATOM 676 CA GLN A 48 1.555 -6.103 11.943 1.00 0.00 C ATOM 677 C GLN A 48 0.766 -5.027 11.211 1.00 0.00 C ATOM 678 O GLN A 48 0.578 -3.934 11.743 1.00 0.00 O ATOM 679 CB GLN A 48 2.984 -6.159 11.372 1.00 0.00 C ATOM 680 CG GLN A 48 4.029 -6.712 12.345 1.00 0.00 C ATOM 681 CD GLN A 48 4.017 -5.959 13.674 1.00 0.00 C ATOM 682 OE1 GLN A 48 4.253 -4.753 13.747 1.00 0.00 O ATOM 683 NE2 GLN A 48 3.646 -6.642 14.736 1.00 0.00 N ATOM 0 H GLN A 48 1.414 -8.044 11.211 1.00 0.00 H new ATOM 0 HA GLN A 48 1.610 -5.869 13.006 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.980 -6.775 10.473 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.282 -5.155 11.069 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.836 -7.770 12.524 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.019 -6.641 11.895 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.454 -7.641 14.659 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.550 -6.173 15.636 1.00 0.00 H new ATOM 692 N GLY A 49 0.306 -5.313 9.993 1.00 0.00 N ATOM 693 CA GLY A 49 -0.529 -4.395 9.248 1.00 0.00 C ATOM 694 C GLY A 49 -0.787 -4.881 7.838 1.00 0.00 C ATOM 695 O GLY A 49 -0.336 -5.957 7.438 1.00 0.00 O ATOM 0 H GLY A 49 0.505 -6.186 9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.479 -4.266 9.767 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.050 -3.416 9.212 1.00 0.00 H new ATOM 699 N TYR A 50 -1.499 -4.036 7.111 1.00 0.00 N ATOM 700 CA TYR A 50 -1.724 -4.108 5.683 1.00 0.00 C ATOM 701 C TYR A 50 -0.859 -3.015 5.066 1.00 0.00 C ATOM 702 O TYR A 50 -1.083 -1.827 5.310 1.00 0.00 O ATOM 703 CB TYR A 50 -3.216 -3.905 5.388 1.00 0.00 C ATOM 704 CG TYR A 50 -4.095 -5.020 5.925 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.183 -6.239 5.228 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.795 -4.857 7.135 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.946 -7.300 5.747 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.564 -5.912 7.656 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.616 -7.152 6.981 1.00 0.00 C ATOM 710 OH TYR A 50 -6.275 -8.209 7.532 1.00 0.00 O ATOM 0 H TYR A 50 -1.963 -3.232 7.533 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.455 -5.077 5.263 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.539 -2.958 5.821 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.358 -3.828 4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.662 -6.360 4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.741 -3.918 7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.020 -8.229 5.201 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.116 -5.774 8.574 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.680 -7.935 8.381 1.00 0.00 H new ATOM 720 N ARG A 51 0.169 -3.399 4.311 1.00 0.00 N ATOM 721 CA ARG A 51 0.974 -2.437 3.579 1.00 0.00 C ATOM 722 C ARG A 51 0.231 -2.159 2.281 1.00 0.00 C ATOM 723 O ARG A 51 -0.486 -3.041 1.801 1.00 0.00 O ATOM 724 CB ARG A 51 2.366 -3.049 3.369 1.00 0.00 C ATOM 725 CG ARG A 51 3.427 -1.968 3.173 1.00 0.00 C ATOM 726 CD ARG A 51 4.816 -2.570 2.937 1.00 0.00 C ATOM 727 NE ARG A 51 5.319 -3.274 4.131 1.00 0.00 N ATOM 728 CZ ARG A 51 6.285 -4.197 4.144 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.960 -4.488 3.041 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.593 -4.796 5.280 1.00 0.00 N ATOM 0 H ARG A 51 0.460 -4.370 4.194 1.00 0.00 H new ATOM 0 HA ARG A 51 1.120 -1.492 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.627 -3.666 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.349 -3.706 2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.154 -1.340 2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.455 -1.323 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.773 -3.264 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.513 -1.779 2.661 1.00 0.00 H new ATOM 0 HE ARG A 51 4.892 -3.035 5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.744 -4.005 2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.695 -5.195 3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.095 -4.553 6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.329 -5.502 5.301 1.00 0.00 H new ATOM 744 N ILE A 52 0.406 -0.986 1.675 1.00 0.00 N ATOM 745 CA ILE A 52 -0.133 -0.722 0.343 1.00 0.00 C ATOM 746 C ILE A 52 1.023 -0.284 -0.554 1.00 0.00 C ATOM 747 O ILE A 52 1.684 0.721 -0.279 1.00 0.00 O ATOM 748 CB ILE A 52 -1.364 0.222 0.380 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.552 -0.462 1.102 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.762 0.631 -1.049 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.921 0.225 0.958 1.00 0.00 C ATOM 0 H ILE A 52 0.917 -0.204 2.085 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.554 -1.626 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.098 1.120 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.639 -1.482 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.314 -0.532 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.627 1.293 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.929 1.149 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.012 -0.259 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.673 -0.344 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.865 1.236 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.196 0.271 -0.096 1.00 0.00 H new ATOM 763 N TYR A 53 1.322 -1.053 -1.601 1.00 0.00 N ATOM 764 CA TYR A 53 2.295 -0.711 -2.638 1.00 0.00 C ATOM 765 C TYR A 53 1.533 -0.002 -3.736 1.00 0.00 C ATOM 766 O TYR A 53 0.675 -0.636 -4.343 1.00 0.00 O ATOM 767 CB TYR A 53 2.945 -1.986 -3.211 1.00 0.00 C ATOM 768 CG TYR A 53 4.075 -2.535 -2.369 1.00 0.00 C ATOM 769 CD1 TYR A 53 5.353 -1.956 -2.478 1.00 0.00 C ATOM 770 CD2 TYR A 53 3.842 -3.547 -1.416 1.00 0.00 C ATOM 771 CE1 TYR A 53 6.389 -2.365 -1.626 1.00 0.00 C ATOM 772 CE2 TYR A 53 4.873 -3.955 -0.551 1.00 0.00 C ATOM 773 CZ TYR A 53 6.147 -3.349 -0.645 1.00 0.00 C ATOM 774 OH TYR A 53 7.113 -3.626 0.268 1.00 0.00 O ATOM 0 H TYR A 53 0.880 -1.959 -1.755 1.00 0.00 H new ATOM 0 HA TYR A 53 3.086 -0.084 -2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.179 -2.755 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.322 -1.771 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.537 -1.194 -3.221 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.869 -4.010 -1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.372 -1.927 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.692 -4.728 0.182 1.00 0.00 H new ATOM 0 HH TYR A 53 7.649 -2.822 0.432 1.00 0.00 H new ATOM 784 N TYR A 54 1.822 1.265 -4.011 1.00 0.00 N ATOM 785 CA TYR A 54 1.168 2.030 -5.067 1.00 0.00 C ATOM 786 C TYR A 54 2.186 2.825 -5.872 1.00 0.00 C ATOM 787 O TYR A 54 3.352 2.930 -5.468 1.00 0.00 O ATOM 788 CB TYR A 54 0.073 2.919 -4.458 1.00 0.00 C ATOM 789 CG TYR A 54 0.565 4.113 -3.677 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.946 3.951 -2.337 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.588 5.386 -4.276 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.323 5.076 -1.578 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.982 6.514 -3.534 1.00 0.00 C ATOM 794 CZ TYR A 54 1.332 6.365 -2.172 1.00 0.00 C ATOM 795 OH TYR A 54 1.713 7.446 -1.432 1.00 0.00 O ATOM 0 H TYR A 54 2.526 1.797 -3.500 1.00 0.00 H new ATOM 0 HA TYR A 54 0.689 1.347 -5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.572 3.273 -5.262 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.544 2.306 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.950 2.968 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.302 5.498 -5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.606 4.958 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.017 7.487 -4.001 1.00 0.00 H new ATOM 0 HH TYR A 54 1.666 8.254 -1.985 1.00 0.00 H new ATOM 805 N TRP A 55 1.784 3.298 -7.046 1.00 0.00 N ATOM 806 CA TRP A 55 2.546 4.233 -7.853 1.00 0.00 C ATOM 807 C TRP A 55 1.606 5.124 -8.674 1.00 0.00 C ATOM 808 O TRP A 55 0.435 4.786 -8.867 1.00 0.00 O ATOM 809 CB TRP A 55 3.545 3.454 -8.712 1.00 0.00 C ATOM 810 CG TRP A 55 2.983 2.341 -9.546 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.483 2.449 -10.797 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.854 0.933 -9.188 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.071 1.209 -11.241 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.256 0.237 -10.279 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.170 0.174 -8.041 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.000 -1.141 -10.229 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.953 -1.214 -7.996 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.374 -1.878 -9.093 1.00 0.00 C ATOM 0 H TRP A 55 0.895 3.033 -7.471 1.00 0.00 H new ATOM 0 HA TRP A 55 3.118 4.907 -7.216 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.047 4.158 -9.376 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.308 3.037 -8.055 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.416 3.366 -11.363 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.678 1.033 -12.166 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.588 0.671 -7.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.517 -1.633 -11.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.232 -1.773 -7.115 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.218 -2.946 -9.062 1.00 0.00 H new ATOM 829 N LYS A 56 2.143 6.235 -9.189 1.00 0.00 N ATOM 830 CA LYS A 56 1.505 7.087 -10.193 1.00 0.00 C ATOM 831 C LYS A 56 1.463 6.322 -11.507 1.00 0.00 C ATOM 832 O LYS A 56 2.493 5.784 -11.926 1.00 0.00 O ATOM 833 CB LYS A 56 2.340 8.377 -10.349 1.00 0.00 C ATOM 834 CG LYS A 56 1.930 9.320 -11.498 1.00 0.00 C ATOM 835 CD LYS A 56 0.714 10.194 -11.169 1.00 0.00 C ATOM 836 CE LYS A 56 0.253 11.085 -12.333 1.00 0.00 C ATOM 837 NZ LYS A 56 1.301 11.959 -12.916 1.00 0.00 N ATOM 0 H LYS A 56 3.063 6.575 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 56 0.491 7.354 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.287 8.934 -9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.383 8.094 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.773 9.964 -11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.710 8.725 -12.385 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.113 9.550 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.954 10.826 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.145 10.447 -13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.568 11.712 -11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.903 12.902 -13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.094 12.044 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.642 11.545 -13.807 1.00 0.00 H new ATOM 851 N THR A 57 0.327 6.359 -12.198 1.00 0.00 N ATOM 852 CA THR A 57 0.133 5.641 -13.443 1.00 0.00 C ATOM 853 C THR A 57 -0.343 6.639 -14.508 1.00 0.00 C ATOM 854 O THR A 57 -1.100 7.570 -14.225 1.00 0.00 O ATOM 855 CB THR A 57 -0.813 4.455 -13.184 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.385 3.714 -12.054 1.00 0.00 O ATOM 857 CG2 THR A 57 -0.815 3.497 -14.366 1.00 0.00 C ATOM 0 H THR A 57 -0.489 6.895 -11.902 1.00 0.00 H new ATOM 0 HA THR A 57 1.054 5.205 -13.831 1.00 0.00 H new ATOM 0 HB THR A 57 -1.808 4.870 -13.023 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.577 3.538 -12.123 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.491 2.667 -14.160 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.149 4.023 -15.260 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.193 3.114 -14.525 1.00 0.00 H new ATOM 865 N GLN A 58 0.157 6.503 -15.735 1.00 0.00 N ATOM 866 CA GLN A 58 -0.087 7.435 -16.832 1.00 0.00 C ATOM 867 C GLN A 58 0.353 6.780 -18.142 1.00 0.00 C ATOM 868 O GLN A 58 1.058 5.770 -18.111 1.00 0.00 O ATOM 869 CB GLN A 58 0.674 8.755 -16.584 1.00 0.00 C ATOM 870 CG GLN A 58 2.144 8.593 -16.149 1.00 0.00 C ATOM 871 CD GLN A 58 2.828 9.948 -15.967 1.00 0.00 C ATOM 872 OE1 GLN A 58 2.257 10.887 -15.410 1.00 0.00 O ATOM 873 NE2 GLN A 58 4.056 10.081 -16.435 1.00 0.00 N ATOM 0 H GLN A 58 0.758 5.722 -15.999 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.149 7.672 -16.894 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.645 9.349 -17.497 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.145 9.322 -15.818 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.188 8.034 -15.214 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.683 8.010 -16.895 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.515 9.294 -16.894 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.545 10.971 -16.338 1.00 0.00 H new ATOM 882 N SER A 59 0.001 7.367 -19.287 1.00 0.00 N ATOM 883 CA SER A 59 0.415 6.915 -20.608 1.00 0.00 C ATOM 884 C SER A 59 0.821 8.159 -21.394 1.00 0.00 C ATOM 885 O SER A 59 -0.047 8.943 -21.781 1.00 0.00 O ATOM 886 CB SER A 59 -0.725 6.113 -21.262 1.00 0.00 C ATOM 887 OG SER A 59 -0.380 5.639 -22.554 1.00 0.00 O ATOM 0 H SER A 59 -0.597 8.193 -19.317 1.00 0.00 H new ATOM 0 HA SER A 59 1.267 6.236 -20.571 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.983 5.267 -20.625 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.613 6.741 -21.333 1.00 0.00 H new ATOM 0 HG SER A 59 -1.132 5.135 -22.929 1.00 0.00 H new ATOM 893 N SER A 60 2.124 8.353 -21.606 1.00 0.00 N ATOM 894 CA SER A 60 2.701 9.471 -22.351 1.00 0.00 C ATOM 895 C SER A 60 3.950 9.012 -23.120 1.00 0.00 C ATOM 896 O SER A 60 4.933 9.753 -23.222 1.00 0.00 O ATOM 897 CB SER A 60 2.982 10.634 -21.384 1.00 0.00 C ATOM 898 OG SER A 60 1.769 11.233 -20.976 1.00 0.00 O ATOM 0 H SER A 60 2.832 7.711 -21.250 1.00 0.00 H new ATOM 0 HA SER A 60 1.996 9.832 -23.100 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.527 10.269 -20.513 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.617 11.375 -21.870 1.00 0.00 H new ATOM 0 HG SER A 60 1.960 11.971 -20.360 1.00 0.00 H new ATOM 904 N SER A 61 3.904 7.788 -23.653 1.00 0.00 N ATOM 905 CA SER A 61 4.953 7.007 -24.305 1.00 0.00 C ATOM 906 C SER A 61 5.500 7.649 -25.593 1.00 0.00 C ATOM 907 O SER A 61 5.328 7.108 -26.682 1.00 0.00 O ATOM 908 CB SER A 61 4.350 5.618 -24.575 1.00 0.00 C ATOM 909 OG SER A 61 3.073 5.736 -25.191 1.00 0.00 O ATOM 0 H SER A 61 3.030 7.263 -23.634 1.00 0.00 H new ATOM 0 HA SER A 61 5.824 6.951 -23.652 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.018 5.045 -25.218 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.258 5.067 -23.639 1.00 0.00 H new ATOM 0 HG SER A 61 2.706 4.843 -25.357 1.00 0.00 H new ATOM 915 N LYS A 62 6.125 8.822 -25.479 1.00 0.00 N ATOM 916 CA LYS A 62 6.617 9.649 -26.581 1.00 0.00 C ATOM 917 C LYS A 62 7.816 10.497 -26.139 1.00 0.00 C ATOM 918 O LYS A 62 8.163 11.441 -26.848 1.00 0.00 O ATOM 919 CB LYS A 62 5.452 10.533 -27.103 1.00 0.00 C ATOM 920 CG LYS A 62 4.764 9.994 -28.367 1.00 0.00 C ATOM 921 CD LYS A 62 5.413 10.402 -29.700 1.00 0.00 C ATOM 922 CE LYS A 62 6.785 9.786 -30.005 1.00 0.00 C ATOM 923 NZ LYS A 62 7.925 10.626 -29.572 1.00 0.00 N ATOM 0 H LYS A 62 6.311 9.242 -24.568 1.00 0.00 H new ATOM 0 HA LYS A 62 6.967 9.009 -27.391 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.707 10.634 -26.314 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.835 11.532 -27.310 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.743 8.906 -28.312 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.728 10.334 -28.368 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.731 10.136 -30.508 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.515 11.487 -29.713 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.854 8.815 -29.515 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.863 9.608 -31.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.801 10.066 -29.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.014 11.445 -30.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.762 10.958 -28.600 1.00 0.00 H new ATOM 937 N ARG A 63 8.431 10.215 -24.988 1.00 0.00 N ATOM 938 CA ARG A 63 9.534 10.989 -24.420 1.00 0.00 C ATOM 939 C ARG A 63 10.690 10.046 -24.106 1.00 0.00 C ATOM 940 O ARG A 63 10.553 8.832 -24.257 1.00 0.00 O ATOM 941 CB ARG A 63 9.039 11.766 -23.172 1.00 0.00 C ATOM 942 CG ARG A 63 9.011 13.292 -23.379 1.00 0.00 C ATOM 943 CD ARG A 63 9.892 14.041 -22.371 1.00 0.00 C ATOM 944 NE ARG A 63 10.157 15.414 -22.825 1.00 0.00 N ATOM 945 CZ ARG A 63 9.461 16.528 -22.579 1.00 0.00 C ATOM 946 NH1 ARG A 63 8.415 16.528 -21.756 1.00 0.00 N ATOM 947 NH2 ARG A 63 9.842 17.637 -23.200 1.00 0.00 N ATOM 0 H ARG A 63 8.166 9.418 -24.409 1.00 0.00 H new ATOM 0 HA ARG A 63 9.895 11.730 -25.133 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.038 11.423 -22.912 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.686 11.532 -22.326 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.345 13.524 -24.390 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.984 13.648 -23.293 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.400 14.064 -21.398 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.834 13.509 -22.239 1.00 0.00 H new ATOM 0 HE ARG A 63 10.986 15.533 -23.408 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.128 15.664 -21.296 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.901 17.392 -21.585 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.639 17.617 -23.837 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.338 18.509 -23.041 1.00 0.00 H new ATOM 961 N ASN A 64 11.823 10.601 -23.662 1.00 0.00 N ATOM 962 CA ASN A 64 12.946 9.792 -23.194 1.00 0.00 C ATOM 963 C ASN A 64 12.508 8.954 -21.990 1.00 0.00 C ATOM 964 O ASN A 64 11.537 9.287 -21.296 1.00 0.00 O ATOM 965 CB ASN A 64 14.153 10.672 -22.800 1.00 0.00 C ATOM 966 CG ASN A 64 15.068 11.010 -23.971 1.00 0.00 C ATOM 967 OD1 ASN A 64 15.467 10.135 -24.733 1.00 0.00 O ATOM 968 ND2 ASN A 64 15.456 12.265 -24.119 1.00 0.00 N ATOM 0 H ASN A 64 11.983 11.607 -23.618 1.00 0.00 H new ATOM 0 HA ASN A 64 13.256 9.140 -24.011 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.788 11.598 -22.356 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.732 10.158 -22.033 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.095 12.516 -24.874 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.117 12.983 -23.478 1.00 0.00 H new ATOM 975 N ARG A 65 13.295 7.912 -21.698 1.00 0.00 N ATOM 976 CA ARG A 65 13.160 7.079 -20.505 1.00 0.00 C ATOM 977 C ARG A 65 12.997 7.939 -19.249 1.00 0.00 C ATOM 978 O ARG A 65 13.769 8.877 -19.031 1.00 0.00 O ATOM 979 CB ARG A 65 14.332 6.083 -20.374 1.00 0.00 C ATOM 980 CG ARG A 65 15.722 6.728 -20.488 1.00 0.00 C ATOM 981 CD ARG A 65 16.867 5.826 -20.006 1.00 0.00 C ATOM 982 NE ARG A 65 18.169 6.406 -20.380 1.00 0.00 N ATOM 983 CZ ARG A 65 19.376 6.095 -19.895 1.00 0.00 C ATOM 984 NH1 ARG A 65 19.535 5.133 -18.997 1.00 0.00 N ATOM 985 NH2 ARG A 65 20.447 6.752 -20.322 1.00 0.00 N ATOM 0 H ARG A 65 14.063 7.620 -22.303 1.00 0.00 H new ATOM 0 HA ARG A 65 12.252 6.486 -20.613 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.257 5.575 -19.412 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.234 5.320 -21.146 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.901 7.001 -21.528 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.732 7.652 -19.909 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.813 5.705 -18.924 1.00 0.00 H new ATOM 0 HD3 ARG A 65 16.765 4.833 -20.443 1.00 0.00 H new ATOM 0 HE ARG A 65 18.147 7.133 -21.095 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.726 4.611 -18.660 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.466 4.915 -18.643 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.348 7.491 -21.018 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.369 6.518 -19.954 1.00 0.00 H new ATOM 999 N ARG A 66 11.998 7.623 -18.433 1.00 0.00 N ATOM 1000 CA ARG A 66 11.870 8.055 -17.045 1.00 0.00 C ATOM 1001 C ARG A 66 12.193 6.852 -16.157 1.00 0.00 C ATOM 1002 O ARG A 66 12.523 5.776 -16.664 1.00 0.00 O ATOM 1003 CB ARG A 66 10.448 8.592 -16.794 1.00 0.00 C ATOM 1004 CG ARG A 66 10.297 10.074 -17.157 1.00 0.00 C ATOM 1005 CD ARG A 66 9.120 10.657 -16.368 1.00 0.00 C ATOM 1006 NE ARG A 66 9.064 12.122 -16.476 1.00 0.00 N ATOM 1007 CZ ARG A 66 8.728 12.989 -15.512 1.00 0.00 C ATOM 1008 NH1 ARG A 66 8.309 12.565 -14.328 1.00 0.00 N ATOM 1009 NH2 ARG A 66 8.824 14.294 -15.741 1.00 0.00 N ATOM 0 H ARG A 66 11.222 7.033 -18.733 1.00 0.00 H new ATOM 0 HA ARG A 66 12.560 8.867 -16.815 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.736 8.006 -17.376 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.193 8.453 -15.744 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.214 10.615 -16.923 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.126 10.185 -18.228 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.188 10.229 -16.737 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.209 10.373 -15.319 1.00 0.00 H new ATOM 0 HE ARG A 66 9.307 12.521 -17.383 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.239 11.565 -14.140 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.057 13.239 -13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.152 14.630 -16.646 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.570 14.960 -15.011 1.00 0.00 H new ATOM 1023 N HIS A 67 12.074 7.021 -14.844 1.00 0.00 N ATOM 1024 CA HIS A 67 11.769 5.946 -13.914 1.00 0.00 C ATOM 1025 C HIS A 67 10.375 6.219 -13.348 1.00 0.00 C ATOM 1026 O HIS A 67 9.912 7.364 -13.358 1.00 0.00 O ATOM 1027 CB HIS A 67 12.842 5.912 -12.820 1.00 0.00 C ATOM 1028 CG HIS A 67 14.163 5.406 -13.333 1.00 0.00 C ATOM 1029 ND1 HIS A 67 14.376 4.181 -13.925 1.00 0.00 N ATOM 1030 CD2 HIS A 67 15.354 6.078 -13.325 1.00 0.00 C ATOM 1031 CE1 HIS A 67 15.671 4.107 -14.258 1.00 0.00 C ATOM 1032 NE2 HIS A 67 16.311 5.239 -13.908 1.00 0.00 N ATOM 0 H HIS A 67 12.190 7.927 -14.391 1.00 0.00 H new ATOM 0 HA HIS A 67 11.771 4.969 -14.398 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.973 6.914 -12.411 1.00 0.00 H new ATOM 0 HB3 HIS A 67 12.504 5.276 -12.002 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.525 7.072 -12.940 1.00 0.00 H new ATOM 0 HE1 HIS A 67 16.136 3.259 -14.739 1.00 0.00 H new ATOM 0 HE2 HIS A 67 17.301 5.445 -14.042 1.00 0.00 H new ATOM 1040 N ILE A 68 9.692 5.191 -12.852 1.00 0.00 N ATOM 1041 CA ILE A 68 8.385 5.314 -12.213 1.00 0.00 C ATOM 1042 C ILE A 68 8.641 5.570 -10.734 1.00 0.00 C ATOM 1043 O ILE A 68 9.311 4.787 -10.058 1.00 0.00 O ATOM 1044 CB ILE A 68 7.524 4.054 -12.457 1.00 0.00 C ATOM 1045 CG1 ILE A 68 7.255 3.892 -13.969 1.00 0.00 C ATOM 1046 CG2 ILE A 68 6.208 4.106 -11.653 1.00 0.00 C ATOM 1047 CD1 ILE A 68 6.496 2.618 -14.340 1.00 0.00 C ATOM 0 H ILE A 68 10.038 4.232 -12.883 1.00 0.00 H new ATOM 0 HA ILE A 68 7.814 6.140 -12.637 1.00 0.00 H new ATOM 0 HB ILE A 68 8.075 3.182 -12.105 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.688 4.754 -14.320 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.208 3.901 -14.499 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.627 3.205 -11.848 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.434 4.169 -10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.632 4.981 -11.954 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.349 2.583 -15.420 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.070 1.747 -14.024 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.527 2.614 -13.842 1.00 0.00 H new ATOM 1059 N GLU A 69 8.108 6.675 -10.235 1.00 0.00 N ATOM 1060 CA GLU A 69 8.032 6.943 -8.812 1.00 0.00 C ATOM 1061 C GLU A 69 7.060 5.929 -8.189 1.00 0.00 C ATOM 1062 O GLU A 69 5.921 5.772 -8.631 1.00 0.00 O ATOM 1063 CB GLU A 69 7.629 8.413 -8.588 1.00 0.00 C ATOM 1064 CG GLU A 69 6.186 8.702 -9.041 1.00 0.00 C ATOM 1065 CD GLU A 69 5.999 10.043 -9.756 1.00 0.00 C ATOM 1066 OE1 GLU A 69 6.638 10.291 -10.803 1.00 0.00 O ATOM 1067 OE2 GLU A 69 5.171 10.858 -9.275 1.00 0.00 O ATOM 0 H GLU A 69 7.713 7.416 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 69 8.996 6.818 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.731 8.658 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.315 9.062 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.861 7.902 -9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.533 8.676 -8.169 1.00 0.00 H new ATOM 1074 N LYS A 70 7.515 5.218 -7.166 1.00 0.00 N ATOM 1075 CA LYS A 70 6.704 4.295 -6.377 1.00 0.00 C ATOM 1076 C LYS A 70 6.610 4.781 -4.944 1.00 0.00 C ATOM 1077 O LYS A 70 7.479 5.523 -4.467 1.00 0.00 O ATOM 1078 CB LYS A 70 7.305 2.885 -6.393 1.00 0.00 C ATOM 1079 CG LYS A 70 7.306 2.228 -7.776 1.00 0.00 C ATOM 1080 CD LYS A 70 7.400 0.705 -7.624 1.00 0.00 C ATOM 1081 CE LYS A 70 7.823 0.138 -8.980 1.00 0.00 C ATOM 1082 NZ LYS A 70 7.907 -1.340 -9.051 1.00 0.00 N ATOM 0 H LYS A 70 8.484 5.267 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 70 5.709 4.258 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.329 2.933 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.746 2.254 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.397 2.494 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.146 2.597 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.124 0.440 -6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.440 0.290 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.116 0.482 -9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.796 0.554 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.200 -1.626 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.604 -1.682 -8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.976 -1.751 -8.837 1.00 0.00 H new ATOM 1096 N LYS A 71 5.599 4.294 -4.229 1.00 0.00 N ATOM 1097 CA LYS A 71 5.410 4.558 -2.810 1.00 0.00 C ATOM 1098 C LYS A 71 4.882 3.350 -2.066 1.00 0.00 C ATOM 1099 O LYS A 71 4.404 2.370 -2.650 1.00 0.00 O ATOM 1100 CB LYS A 71 4.425 5.721 -2.648 1.00 0.00 C ATOM 1101 CG LYS A 71 5.051 7.108 -2.600 1.00 0.00 C ATOM 1102 CD LYS A 71 5.846 7.348 -1.314 1.00 0.00 C ATOM 1103 CE LYS A 71 6.160 8.840 -1.170 1.00 0.00 C ATOM 1104 NZ LYS A 71 6.329 9.218 0.245 1.00 0.00 N ATOM 0 H LYS A 71 4.877 3.695 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 71 6.382 4.807 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.715 5.690 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.855 5.567 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.709 7.236 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.267 7.860 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.275 7.002 -0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.771 6.772 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.069 9.078 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.355 9.427 -1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.541 10.234 0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.453 9.013 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.113 8.674 0.658 1.00 0.00 H new ATOM 1118 N ILE A 72 4.969 3.462 -0.748 1.00 0.00 N ATOM 1119 CA ILE A 72 4.567 2.478 0.235 1.00 0.00 C ATOM 1120 C ILE A 72 3.761 3.241 1.284 1.00 0.00 C ATOM 1121 O ILE A 72 4.121 4.362 1.653 1.00 0.00 O ATOM 1122 CB ILE A 72 5.832 1.774 0.784 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.468 0.864 -0.295 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.571 0.993 2.083 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.895 1.273 -0.651 1.00 0.00 C ATOM 0 H ILE A 72 5.349 4.302 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 72 3.942 1.679 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 72 6.540 2.562 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.469 -0.166 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.853 0.891 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.496 0.523 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.213 1.677 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.819 0.225 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.288 0.599 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.896 2.293 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.522 1.220 0.239 1.00 0.00 H new ATOM 1137 N LEU A 73 2.675 2.624 1.737 1.00 0.00 N ATOM 1138 CA LEU A 73 1.755 3.084 2.771 1.00 0.00 C ATOM 1139 C LEU A 73 1.744 2.039 3.879 1.00 0.00 C ATOM 1140 O LEU A 73 1.967 0.859 3.595 1.00 0.00 O ATOM 1141 CB LEU A 73 0.355 3.220 2.175 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.053 4.673 1.910 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -1.132 4.610 0.846 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.628 5.428 3.112 1.00 0.00 C ATOM 0 H LEU A 73 2.393 1.719 1.361 1.00 0.00 H new ATOM 0 HA LEU A 73 2.066 4.052 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.310 2.661 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.367 2.765 2.853 1.00 0.00 H new ATOM 0 HG LEU A 73 0.848 5.218 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.469 5.619 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.730 4.142 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.973 4.024 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.883 6.445 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.524 4.918 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.113 5.459 3.911 1.00 0.00 H new ATOM 1156 N THR A 74 1.447 2.452 5.111 1.00 0.00 N ATOM 1157 CA THR A 74 1.626 1.625 6.301 1.00 0.00 C ATOM 1158 C THR A 74 0.384 1.711 7.192 1.00 0.00 C ATOM 1159 O THR A 74 0.244 2.655 7.977 1.00 0.00 O ATOM 1160 CB THR A 74 2.923 2.064 7.008 1.00 0.00 C ATOM 1161 OG1 THR A 74 4.017 1.909 6.113 1.00 0.00 O ATOM 1162 CG2 THR A 74 3.239 1.291 8.291 1.00 0.00 C ATOM 0 H THR A 74 1.072 3.379 5.311 1.00 0.00 H new ATOM 0 HA THR A 74 1.733 0.572 6.039 1.00 0.00 H new ATOM 0 HB THR A 74 2.768 3.103 7.297 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.845 2.188 6.557 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.168 1.665 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.427 1.425 9.006 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.347 0.231 8.060 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.509 0.723 7.084 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.738 0.650 7.860 1.00 0.00 C ATOM 1172 C PHE A 75 -1.624 -0.487 8.856 1.00 0.00 C ATOM 1173 O PHE A 75 -1.908 -1.639 8.533 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.946 0.491 6.933 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.136 1.675 6.012 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.285 2.969 6.551 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -3.072 1.494 4.619 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.367 4.080 5.698 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -3.149 2.610 3.770 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.298 3.896 4.310 1.00 0.00 C ATOM 0 H PHE A 75 -0.390 -0.060 6.441 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.889 1.576 8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.824 -0.413 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.845 0.356 7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.336 3.105 7.621 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.964 0.503 4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.483 5.072 6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.093 2.478 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.360 4.750 3.652 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.163 -0.178 10.065 1.00 0.00 N ATOM 1191 CA GLN A 76 -0.978 -1.178 11.092 1.00 0.00 C ATOM 1192 C GLN A 76 -2.333 -1.668 11.615 1.00 0.00 C ATOM 1193 O GLN A 76 -3.352 -0.969 11.501 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.075 -0.580 12.190 1.00 0.00 C ATOM 1195 CG GLN A 76 -0.806 0.424 13.107 1.00 0.00 C ATOM 1196 CD GLN A 76 -0.161 1.789 13.353 1.00 0.00 C ATOM 1197 OE1 GLN A 76 -0.887 2.716 13.705 1.00 0.00 O ATOM 1198 NE2 GLN A 76 1.127 1.991 13.140 1.00 0.00 N ATOM 0 H GLN A 76 -0.911 0.768 10.351 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.482 -2.063 10.693 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.328 -1.389 12.799 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.773 -0.081 11.721 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.797 0.596 12.687 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.949 -0.055 14.076 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.723 1.217 12.848 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.525 2.921 13.268 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.318 -2.811 12.297 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.500 -3.382 12.931 1.00 0.00 C ATOM 1209 C GLY A 77 -4.538 -3.878 11.924 1.00 0.00 C ATOM 1210 O GLY A 77 -4.387 -3.753 10.711 1.00 0.00 O ATOM 0 H GLY A 77 -1.475 -3.371 12.425 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.198 -4.211 13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.957 -2.632 13.576 1.00 0.00 H new ATOM 1214 N SER A 78 -5.610 -4.461 12.449 1.00 0.00 N ATOM 1215 CA SER A 78 -6.657 -5.214 11.757 1.00 0.00 C ATOM 1216 C SER A 78 -7.666 -4.340 11.000 1.00 0.00 C ATOM 1217 O SER A 78 -8.826 -4.714 10.829 1.00 0.00 O ATOM 1218 CB SER A 78 -7.314 -6.094 12.822 1.00 0.00 C ATOM 1219 OG SER A 78 -7.562 -5.367 14.019 1.00 0.00 O ATOM 0 H SER A 78 -5.786 -4.417 13.453 1.00 0.00 H new ATOM 0 HA SER A 78 -6.219 -5.814 10.960 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.252 -6.494 12.437 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.670 -6.946 13.039 1.00 0.00 H new ATOM 0 HG SER A 78 -7.984 -5.957 14.678 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.253 -3.140 10.604 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.035 -2.209 9.810 1.00 0.00 C ATOM 1227 C LYS A 79 -8.454 -2.829 8.482 1.00 0.00 C ATOM 1228 O LYS A 79 -7.828 -3.774 8.000 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.179 -0.957 9.596 1.00 0.00 C ATOM 1230 CG LYS A 79 -7.367 0.046 10.738 1.00 0.00 C ATOM 1231 CD LYS A 79 -6.897 -0.380 12.136 1.00 0.00 C ATOM 1232 CE LYS A 79 -7.206 0.766 13.105 1.00 0.00 C ATOM 1233 NZ LYS A 79 -6.732 0.522 14.482 1.00 0.00 N ATOM 0 H LYS A 79 -6.328 -2.779 10.838 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.957 -1.951 10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.129 -1.239 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.447 -0.488 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.842 0.963 10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.427 0.292 10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.406 -1.292 12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.829 -0.597 12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.748 1.681 12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.283 0.933 13.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.974 1.336 15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.187 -0.334 14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.700 0.391 14.476 1.00 0.00 H new ATOM 1247 N THR A 80 -9.481 -2.242 7.877 1.00 0.00 N ATOM 1248 CA THR A 80 -10.133 -2.764 6.681 1.00 0.00 C ATOM 1249 C THR A 80 -10.251 -1.704 5.584 1.00 0.00 C ATOM 1250 O THR A 80 -10.759 -1.996 4.503 1.00 0.00 O ATOM 1251 CB THR A 80 -11.495 -3.350 7.065 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.285 -2.366 7.710 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.358 -4.533 8.026 1.00 0.00 C ATOM 0 H THR A 80 -9.893 -1.371 8.212 1.00 0.00 H new ATOM 0 HA THR A 80 -9.516 -3.558 6.261 1.00 0.00 H new ATOM 0 HB THR A 80 -11.963 -3.688 6.140 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.154 -2.750 7.950 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.347 -4.918 8.272 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.770 -5.320 7.553 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.859 -4.205 8.938 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.804 -0.474 5.853 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.665 0.556 4.836 1.00 0.00 C ATOM 1263 C HIS A 81 -8.471 1.437 5.174 1.00 0.00 C ATOM 1264 O HIS A 81 -7.988 1.439 6.316 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.961 1.375 4.690 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.238 2.302 5.840 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -10.898 3.637 5.922 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.850 1.948 7.008 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.277 4.069 7.136 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -11.807 3.060 7.852 1.00 0.00 N ATOM 0 H HIS A 81 -9.529 -0.170 6.787 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.487 0.085 3.869 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.906 1.960 3.772 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.801 0.689 4.581 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -10.444 4.192 5.196 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.286 0.987 7.237 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.171 5.084 7.488 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.001 2.206 4.199 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.903 3.141 4.345 1.00 0.00 C ATOM 1280 C GLY A 82 -6.999 4.192 3.252 1.00 0.00 C ATOM 1281 O GLY A 82 -7.530 3.922 2.171 1.00 0.00 O ATOM 0 H GLY A 82 -8.390 2.192 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.939 3.614 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.950 2.616 4.280 1.00 0.00 H new ATOM 1285 N MET A 83 -6.487 5.388 3.539 1.00 0.00 N ATOM 1286 CA MET A 83 -6.495 6.483 2.588 1.00 0.00 C ATOM 1287 C MET A 83 -5.401 6.262 1.545 1.00 0.00 C ATOM 1288 O MET A 83 -4.437 5.547 1.804 1.00 0.00 O ATOM 1289 CB MET A 83 -6.264 7.810 3.318 1.00 0.00 C ATOM 1290 CG MET A 83 -7.157 7.995 4.548 1.00 0.00 C ATOM 1291 SD MET A 83 -7.097 9.674 5.213 1.00 0.00 S ATOM 1292 CE MET A 83 -8.377 10.392 4.158 1.00 0.00 C ATOM 0 H MET A 83 -6.058 5.618 4.435 1.00 0.00 H new ATOM 0 HA MET A 83 -7.463 6.520 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.220 7.870 3.625 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.440 8.632 2.624 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.186 7.751 4.284 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.851 7.292 5.322 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.031 11.348 3.765 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.589 9.715 3.331 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.285 10.547 4.741 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.474 6.976 0.427 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.336 7.255 -0.425 1.00 0.00 C ATOM 1304 C LEU A 84 -4.200 8.769 -0.455 1.00 0.00 C ATOM 1305 O LEU A 84 -4.952 9.374 -1.202 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.539 6.631 -1.830 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.527 5.538 -2.208 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.058 5.951 -2.088 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.765 4.284 -1.370 1.00 0.00 C ATOM 0 H LEU A 84 -6.345 7.382 0.086 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.415 6.809 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.543 6.209 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.488 7.425 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.703 5.344 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.420 5.115 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.863 6.798 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.843 6.234 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.041 3.518 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.650 4.525 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.774 3.912 -1.550 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.393 9.405 0.408 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.109 10.834 0.317 1.00 0.00 C ATOM 1323 C PRO A 85 -1.833 11.094 -0.495 1.00 0.00 C ATOM 1324 O PRO A 85 -0.979 10.208 -0.639 1.00 0.00 O ATOM 1325 CB PRO A 85 -2.913 11.249 1.780 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.236 10.023 2.400 1.00 0.00 C ATOM 1327 CD PRO A 85 -2.837 8.843 1.629 1.00 0.00 C ATOM 0 HA PRO A 85 -3.899 11.391 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.291 12.140 1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.862 11.474 2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.153 10.064 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.442 9.950 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.076 8.096 1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.609 8.345 2.216 1.00 0.00 H new ATOM 1335 N GLY A 86 -1.670 12.326 -0.983 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.499 12.708 -1.765 1.00 0.00 C ATOM 1337 C GLY A 86 -0.548 12.118 -3.174 1.00 0.00 C ATOM 1338 O GLY A 86 0.487 11.733 -3.729 1.00 0.00 O ATOM 0 H GLY A 86 -2.343 13.080 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.440 13.795 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.404 12.368 -1.259 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.756 11.960 -3.712 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.056 11.680 -5.107 1.00 0.00 C ATOM 1344 C LEU A 87 -2.081 13.029 -5.838 1.00 0.00 C ATOM 1345 O LEU A 87 -2.100 14.088 -5.202 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.455 11.034 -5.180 1.00 0.00 C ATOM 1347 CG LEU A 87 -3.647 9.570 -4.729 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -2.681 9.155 -3.624 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -5.135 9.415 -4.389 1.00 0.00 C ATOM 0 H LEU A 87 -2.602 12.029 -3.146 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.321 11.011 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.129 11.649 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.792 11.103 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.389 8.871 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.866 8.116 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.656 9.260 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.830 9.792 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.329 8.393 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.400 10.108 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.735 9.634 -5.273 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.171 13.001 -7.163 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.543 14.152 -7.974 1.00 0.00 C ATOM 1363 C GLU A 88 -3.891 13.904 -8.649 1.00 0.00 C ATOM 1364 O GLU A 88 -4.241 12.749 -8.916 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.490 14.442 -9.045 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.284 15.208 -8.494 1.00 0.00 C ATOM 1367 CD GLU A 88 0.237 16.206 -9.527 1.00 0.00 C ATOM 1368 OE1 GLU A 88 0.642 15.773 -10.631 1.00 0.00 O ATOM 1369 OE2 GLU A 88 0.240 17.433 -9.287 1.00 0.00 O ATOM 0 H GLU A 88 -1.984 12.162 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.613 15.015 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.151 13.502 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.945 15.019 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.566 15.734 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.507 14.508 -8.226 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.633 14.979 -8.959 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.845 14.892 -9.749 1.00 0.00 C ATOM 1378 C PRO A 89 -5.571 14.516 -11.211 1.00 0.00 C ATOM 1379 O PRO A 89 -4.445 14.617 -11.711 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.484 16.279 -9.694 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.542 17.186 -8.903 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.279 16.368 -8.696 1.00 0.00 C ATOM 0 HA PRO A 89 -6.490 14.111 -9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.639 16.670 -10.700 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.463 16.232 -9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.330 18.105 -9.449 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.984 17.476 -7.950 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.488 16.700 -9.369 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.903 16.486 -7.680 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.669 14.211 -11.913 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.740 14.015 -13.352 1.00 0.00 C ATOM 1392 C PHE A 90 -5.615 13.089 -13.843 1.00 0.00 C ATOM 1393 O PHE A 90 -4.851 13.439 -14.739 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.796 15.398 -14.034 1.00 0.00 C ATOM 1395 CG PHE A 90 -7.284 15.361 -15.473 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.660 15.283 -15.769 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -6.354 15.333 -16.528 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -9.098 15.137 -17.096 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -6.791 15.165 -17.851 1.00 0.00 C ATOM 1400 CZ PHE A 90 -8.160 15.064 -18.139 1.00 0.00 C ATOM 0 H PHE A 90 -7.576 14.090 -11.462 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.653 13.489 -13.632 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.451 16.050 -13.456 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.801 15.843 -14.010 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.384 15.336 -14.969 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.300 15.441 -16.319 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.154 15.081 -17.314 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.069 15.113 -18.652 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.491 14.931 -19.158 1.00 0.00 H new ATOM 1410 N SER A 91 -5.451 11.921 -13.224 1.00 0.00 N ATOM 1411 CA SER A 91 -4.452 10.922 -13.589 1.00 0.00 C ATOM 1412 C SER A 91 -4.932 9.535 -13.164 1.00 0.00 C ATOM 1413 O SER A 91 -6.043 9.393 -12.646 1.00 0.00 O ATOM 1414 CB SER A 91 -3.105 11.287 -12.949 1.00 0.00 C ATOM 1415 OG SER A 91 -2.430 12.214 -13.774 1.00 0.00 O ATOM 0 H SER A 91 -6.027 11.637 -12.432 1.00 0.00 H new ATOM 0 HA SER A 91 -4.313 10.905 -14.670 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.264 11.713 -11.958 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.498 10.391 -12.817 1.00 0.00 H new ATOM 0 HG SER A 91 -3.085 12.767 -14.249 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.112 8.511 -13.407 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.374 7.142 -13.002 1.00 0.00 C ATOM 1423 C HIS A 92 -3.393 6.776 -11.886 1.00 0.00 C ATOM 1424 O HIS A 92 -2.338 7.395 -11.736 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.274 6.238 -14.248 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.062 4.954 -14.176 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -4.679 3.726 -14.668 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.360 4.835 -13.760 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -5.717 2.888 -14.513 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -6.766 3.513 -13.957 1.00 0.00 N ATOM 0 H HIS A 92 -3.228 8.621 -13.903 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.377 7.008 -12.597 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.612 6.804 -15.116 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.225 5.993 -14.416 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.967 5.628 -13.349 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.708 1.847 -14.799 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.673 3.107 -13.726 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.723 5.763 -11.097 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.888 5.223 -10.040 1.00 0.00 C ATOM 1440 C TYR A 93 -3.141 3.723 -9.990 1.00 0.00 C ATOM 1441 O TYR A 93 -4.245 3.259 -10.291 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.237 5.879 -8.691 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.533 7.200 -8.427 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -3.067 8.411 -8.907 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.314 7.211 -7.722 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -2.360 9.615 -8.738 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -0.602 8.409 -7.538 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.116 9.613 -8.067 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.418 10.773 -7.946 1.00 0.00 O ATOM 0 H TYR A 93 -4.616 5.277 -11.181 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.835 5.427 -10.236 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.314 6.042 -8.649 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.989 5.184 -7.889 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.024 8.415 -9.407 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.922 6.289 -7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.767 10.539 -9.120 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.332 8.408 -6.996 1.00 0.00 H new ATOM 0 HH TYR A 93 0.415 10.604 -7.458 1.00 0.00 H new ATOM 1459 N THR A 94 -2.130 2.980 -9.558 1.00 0.00 N ATOM 1460 CA THR A 94 -2.240 1.556 -9.258 1.00 0.00 C ATOM 1461 C THR A 94 -1.791 1.388 -7.805 1.00 0.00 C ATOM 1462 O THR A 94 -0.901 2.115 -7.359 1.00 0.00 O ATOM 1463 CB THR A 94 -1.406 0.741 -10.268 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.733 1.139 -11.597 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.594 -0.783 -10.145 1.00 0.00 C ATOM 0 H THR A 94 -1.194 3.355 -9.403 1.00 0.00 H new ATOM 0 HA THR A 94 -3.258 1.178 -9.358 1.00 0.00 H new ATOM 0 HB THR A 94 -0.362 0.954 -10.037 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.292 1.990 -11.801 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.976 -1.287 -10.888 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.299 -1.107 -9.147 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.641 -1.035 -10.313 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.433 0.493 -7.049 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.081 0.099 -5.688 1.00 0.00 C ATOM 1475 C LEU A 95 -2.299 -1.414 -5.517 1.00 0.00 C ATOM 1476 O LEU A 95 -3.029 -2.047 -6.277 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.813 0.940 -4.634 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.349 0.924 -4.526 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.097 0.808 -5.845 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.837 -0.199 -3.600 1.00 0.00 C ATOM 0 H LEU A 95 -3.257 -0.001 -7.392 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.023 0.303 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.423 0.641 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.516 1.977 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.580 1.906 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.170 0.806 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.843 1.654 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.815 -0.119 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.926 -0.180 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.509 -1.162 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.423 -0.053 -2.602 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.716 -2.021 -4.485 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.973 -3.403 -4.045 1.00 0.00 C ATOM 1494 C ASN A 96 -1.876 -3.407 -2.525 1.00 0.00 C ATOM 1495 O ASN A 96 -1.020 -2.710 -1.987 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.004 -4.502 -4.574 1.00 0.00 C ATOM 1497 CG ASN A 96 -0.010 -4.196 -5.691 1.00 0.00 C ATOM 1498 OD1 ASN A 96 1.171 -4.535 -5.597 1.00 0.00 O ATOM 1499 ND2 ASN A 96 -0.455 -3.631 -6.793 1.00 0.00 N ATOM 0 H ASN A 96 -1.022 -1.549 -3.905 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.949 -3.664 -4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.427 -4.858 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.619 -5.336 -4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.179 -3.471 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.434 -3.353 -6.864 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.697 -4.202 -1.840 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.682 -4.393 -0.391 1.00 0.00 C ATOM 1508 C VAL A 97 -1.854 -5.654 -0.119 1.00 0.00 C ATOM 1509 O VAL A 97 -2.130 -6.694 -0.723 1.00 0.00 O ATOM 1510 CB VAL A 97 -4.133 -4.556 0.139 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.241 -4.384 1.661 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -5.132 -3.571 -0.485 1.00 0.00 C ATOM 0 H VAL A 97 -3.421 -4.754 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.246 -3.534 0.119 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.386 -5.576 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.279 -4.509 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.623 -5.133 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.898 -3.388 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.124 -3.745 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.820 -2.550 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.163 -3.719 -1.565 1.00 0.00 H new ATOM 1522 N ARG A 98 -0.907 -5.642 0.823 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.131 -6.836 1.197 1.00 0.00 C ATOM 1524 C ARG A 98 -0.134 -7.033 2.711 1.00 0.00 C ATOM 1525 O ARG A 98 0.066 -6.065 3.443 1.00 0.00 O ATOM 1526 CB ARG A 98 1.300 -6.676 0.673 1.00 0.00 C ATOM 1527 CG ARG A 98 2.022 -8.027 0.617 1.00 0.00 C ATOM 1528 CD ARG A 98 3.461 -7.916 0.107 1.00 0.00 C ATOM 1529 NE ARG A 98 3.579 -7.909 -1.360 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.729 -8.122 -2.014 1.00 0.00 C ATOM 1531 NH1 ARG A 98 5.886 -8.160 -1.363 1.00 0.00 N ATOM 1532 NH2 ARG A 98 4.717 -8.288 -3.326 1.00 0.00 N ATOM 0 H ARG A 98 -0.654 -4.806 1.350 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.586 -7.721 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.279 -6.230 -0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.852 -5.992 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.029 -8.471 1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.464 -8.704 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.905 -7.002 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.041 -8.749 0.504 1.00 0.00 H new ATOM 0 HE ARG A 98 2.738 -7.732 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.907 -8.026 -0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.754 -8.323 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.835 -8.254 -3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.590 -8.450 -3.828 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.370 -8.259 3.176 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.424 -8.571 4.599 1.00 0.00 C ATOM 1548 C VAL A 99 1.000 -8.664 5.129 1.00 0.00 C ATOM 1549 O VAL A 99 1.921 -9.046 4.401 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.241 -9.868 4.846 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.531 -9.957 4.012 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.451 -11.144 4.544 1.00 0.00 C ATOM 0 H VAL A 99 -0.529 -9.065 2.572 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.941 -7.780 5.142 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.482 -9.802 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.047 -10.890 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.180 -9.115 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.281 -9.929 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.078 -12.014 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.144 -11.143 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.432 -11.185 5.182 1.00 0.00 H new ATOM 1562 N VAL A 100 1.172 -8.376 6.414 1.00 0.00 N ATOM 1563 CA VAL A 100 2.456 -8.405 7.084 1.00 0.00 C ATOM 1564 C VAL A 100 2.228 -8.881 8.516 1.00 0.00 C ATOM 1565 O VAL A 100 1.246 -8.498 9.164 1.00 0.00 O ATOM 1566 CB VAL A 100 3.077 -6.995 7.066 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.475 -7.054 7.711 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.194 -6.382 5.661 1.00 0.00 C ATOM 0 H VAL A 100 0.402 -8.111 7.028 1.00 0.00 H new ATOM 0 HA VAL A 100 3.144 -9.083 6.579 1.00 0.00 H new ATOM 0 HB VAL A 100 2.402 -6.350 7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.922 -6.060 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.387 -7.403 8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.107 -7.741 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.640 -5.390 5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.822 -7.018 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.203 -6.303 5.215 1.00 0.00 H new ATOM 1578 N ASN A 101 3.157 -9.675 9.040 1.00 0.00 N ATOM 1579 CA ASN A 101 3.208 -10.076 10.437 1.00 0.00 C ATOM 1580 C ASN A 101 4.630 -9.902 10.975 1.00 0.00 C ATOM 1581 O ASN A 101 5.388 -9.107 10.429 1.00 0.00 O ATOM 1582 CB ASN A 101 2.615 -11.482 10.597 1.00 0.00 C ATOM 1583 CG ASN A 101 3.497 -12.610 10.087 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.679 -12.465 9.815 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.960 -13.803 10.057 1.00 0.00 N ATOM 0 H ASN A 101 3.917 -10.068 8.485 1.00 0.00 H new ATOM 0 HA ASN A 101 2.585 -9.430 11.056 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.404 -11.654 11.653 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.661 -11.520 10.071 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.528 -14.612 9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.973 -13.924 10.284 1.00 0.00 H new ATOM 1592 N GLY A 102 4.967 -10.538 12.103 1.00 0.00 N ATOM 1593 CA GLY A 102 6.287 -10.369 12.704 1.00 0.00 C ATOM 1594 C GLY A 102 7.362 -11.025 11.845 1.00 0.00 C ATOM 1595 O GLY A 102 8.420 -10.443 11.610 1.00 0.00 O ATOM 0 H GLY A 102 4.347 -11.168 12.611 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.505 -9.307 12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.296 -10.807 13.702 1.00 0.00 H new ATOM 1599 N LYS A 103 7.086 -12.236 11.362 1.00 0.00 N ATOM 1600 CA LYS A 103 7.986 -12.991 10.507 1.00 0.00 C ATOM 1601 C LYS A 103 8.219 -12.260 9.187 1.00 0.00 C ATOM 1602 O LYS A 103 9.379 -12.103 8.802 1.00 0.00 O ATOM 1603 CB LYS A 103 7.426 -14.409 10.323 1.00 0.00 C ATOM 1604 CG LYS A 103 8.441 -15.372 9.696 1.00 0.00 C ATOM 1605 CD LYS A 103 9.745 -15.483 10.506 1.00 0.00 C ATOM 1606 CE LYS A 103 10.897 -14.887 9.690 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.093 -14.575 10.490 1.00 0.00 N ATOM 0 H LYS A 103 6.213 -12.724 11.561 1.00 0.00 H new ATOM 0 HA LYS A 103 8.967 -13.080 10.974 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.112 -14.799 11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.537 -14.365 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.989 -16.360 9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.675 -15.037 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.644 -14.955 11.454 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.953 -16.527 10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.172 -15.587 8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.551 -13.976 9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.829 -14.176 9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.847 -13.884 11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.449 -15.444 10.936 1.00 0.00 H new ATOM 1621 N GLY A 104 7.182 -11.827 8.474 1.00 0.00 N ATOM 1622 CA GLY A 104 7.373 -11.242 7.158 1.00 0.00 C ATOM 1623 C GLY A 104 6.066 -10.957 6.442 1.00 0.00 C ATOM 1624 O GLY A 104 4.981 -10.964 7.034 1.00 0.00 O ATOM 0 H GLY A 104 6.212 -11.871 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.937 -10.314 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.975 -11.917 6.550 1.00 0.00 H new ATOM 1628 N GLU A 105 6.204 -10.644 5.159 1.00 0.00 N ATOM 1629 CA GLU A 105 5.106 -10.315 4.263 1.00 0.00 C ATOM 1630 C GLU A 105 4.415 -11.581 3.756 1.00 0.00 C ATOM 1631 O GLU A 105 5.043 -12.638 3.640 1.00 0.00 O ATOM 1632 CB GLU A 105 5.663 -9.544 3.063 1.00 0.00 C ATOM 1633 CG GLU A 105 6.272 -8.194 3.459 1.00 0.00 C ATOM 1634 CD GLU A 105 6.886 -7.478 2.262 1.00 0.00 C ATOM 1635 OE1 GLU A 105 6.222 -7.315 1.222 1.00 0.00 O ATOM 1636 OE2 GLU A 105 8.019 -6.952 2.388 1.00 0.00 O ATOM 0 H GLU A 105 7.114 -10.612 4.700 1.00 0.00 H new ATOM 0 HA GLU A 105 4.378 -9.714 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.422 -10.149 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.865 -9.380 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.502 -7.564 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.036 -8.349 4.221 1.00 0.00 H new ATOM 1643 N GLY A 106 3.139 -11.464 3.386 1.00 0.00 N ATOM 1644 CA GLY A 106 2.383 -12.458 2.630 1.00 0.00 C ATOM 1645 C GLY A 106 2.115 -12.007 1.199 1.00 0.00 C ATOM 1646 O GLY A 106 2.639 -10.980 0.769 1.00 0.00 O ATOM 0 H GLY A 106 2.583 -10.640 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.934 -13.398 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.435 -12.651 3.132 1.00 0.00 H new ATOM 1650 N PRO A 107 1.306 -12.766 0.446 1.00 0.00 N ATOM 1651 CA PRO A 107 0.993 -12.430 -0.934 1.00 0.00 C ATOM 1652 C PRO A 107 0.153 -11.153 -0.997 1.00 0.00 C ATOM 1653 O PRO A 107 -0.544 -10.771 -0.049 1.00 0.00 O ATOM 1654 CB PRO A 107 0.257 -13.649 -1.495 1.00 0.00 C ATOM 1655 CG PRO A 107 -0.411 -14.237 -0.256 1.00 0.00 C ATOM 1656 CD PRO A 107 0.555 -13.932 0.884 1.00 0.00 C ATOM 0 HA PRO A 107 1.884 -12.219 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.473 -13.367 -2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.943 -14.357 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.387 -13.785 -0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.571 -15.310 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.019 -13.729 1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.216 -14.777 1.076 1.00 0.00 H new ATOM 1664 N ALA A 108 0.222 -10.492 -2.148 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.469 -9.247 -2.406 1.00 0.00 C ATOM 1666 C ALA A 108 -1.878 -9.527 -2.938 1.00 0.00 C ATOM 1667 O ALA A 108 -2.141 -10.554 -3.572 1.00 0.00 O ATOM 1668 CB ALA A 108 0.373 -8.443 -3.399 1.00 0.00 C ATOM 0 H ALA A 108 0.774 -10.820 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.590 -8.668 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.123 -7.497 -3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.355 -8.248 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.487 -9.011 -4.322 1.00 0.00 H new ATOM 1674 N SER A 109 -2.794 -8.593 -2.697 1.00 0.00 N ATOM 1675 CA SER A 109 -4.137 -8.546 -3.268 1.00 0.00 C ATOM 1676 C SER A 109 -4.093 -8.369 -4.803 1.00 0.00 C ATOM 1677 O SER A 109 -3.000 -8.406 -5.369 1.00 0.00 O ATOM 1678 CB SER A 109 -4.871 -7.422 -2.537 1.00 0.00 C ATOM 1679 OG SER A 109 -4.517 -6.126 -3.010 1.00 0.00 O ATOM 0 H SER A 109 -2.611 -7.811 -2.068 1.00 0.00 H new ATOM 0 HA SER A 109 -4.674 -9.484 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.946 -7.563 -2.651 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.652 -7.486 -1.471 1.00 0.00 H new ATOM 0 HG SER A 109 -5.127 -5.863 -3.731 1.00 0.00 H new ATOM 1685 N PRO A 110 -5.226 -8.137 -5.503 1.00 0.00 N ATOM 1686 CA PRO A 110 -5.172 -7.620 -6.866 1.00 0.00 C ATOM 1687 C PRO A 110 -4.338 -6.334 -6.913 1.00 0.00 C ATOM 1688 O PRO A 110 -4.277 -5.600 -5.914 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.618 -7.340 -7.296 1.00 0.00 C ATOM 1690 CG PRO A 110 -7.460 -8.149 -6.317 1.00 0.00 C ATOM 1691 CD PRO A 110 -6.608 -8.155 -5.049 1.00 0.00 C ATOM 0 HA PRO A 110 -4.703 -8.339 -7.538 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.852 -6.277 -7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.795 -7.651 -8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.433 -7.689 -6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.645 -9.159 -6.683 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.827 -7.288 -4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.810 -9.040 -4.446 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.767 -6.039 -8.080 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.190 -4.740 -8.394 1.00 0.00 C ATOM 1701 C ASP A 111 -4.374 -3.883 -8.827 1.00 0.00 C ATOM 1702 O ASP A 111 -4.730 -3.836 -10.005 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.118 -4.783 -9.506 1.00 0.00 C ATOM 1704 CG ASP A 111 -0.893 -5.652 -9.230 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -1.033 -6.894 -9.199 1.00 0.00 O ATOM 1706 OD2 ASP A 111 0.239 -5.103 -9.156 1.00 0.00 O ATOM 0 H ASP A 111 -3.693 -6.710 -8.845 1.00 0.00 H new ATOM 0 HA ASP A 111 -2.662 -4.346 -7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.590 -5.137 -10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.780 -3.764 -9.695 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.062 -3.278 -7.863 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.203 -2.424 -8.151 1.00 0.00 C ATOM 1713 C ARG A 112 -5.718 -1.183 -8.878 1.00 0.00 C ATOM 1714 O ARG A 112 -4.587 -0.734 -8.684 1.00 0.00 O ATOM 1715 CB ARG A 112 -6.912 -2.023 -6.854 1.00 0.00 C ATOM 1716 CG ARG A 112 -7.936 -3.066 -6.408 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.234 -2.921 -7.199 1.00 0.00 C ATOM 1718 NE ARG A 112 -10.079 -4.111 -7.058 1.00 0.00 N ATOM 1719 CZ ARG A 112 -10.285 -5.052 -7.985 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -9.885 -4.896 -9.244 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.885 -6.181 -7.636 1.00 0.00 N ATOM 0 H ARG A 112 -4.845 -3.366 -6.870 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.911 -2.968 -8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.172 -1.883 -6.066 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.411 -1.064 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.528 -4.067 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.139 -2.952 -5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.778 -2.043 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.005 -2.758 -8.252 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.557 -4.233 -6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -9.407 -4.040 -9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -10.057 -5.632 -9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.183 -6.323 -6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -11.049 -6.908 -8.333 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.621 -0.569 -9.629 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.362 0.697 -10.289 1.00 0.00 C ATOM 1737 C VAL A 113 -7.481 1.659 -9.921 1.00 0.00 C ATOM 1738 O VAL A 113 -8.597 1.224 -9.614 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.141 0.500 -11.800 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.165 -0.649 -12.085 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.438 0.232 -12.556 1.00 0.00 C ATOM 0 H VAL A 113 -7.557 -0.939 -9.797 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.429 1.142 -9.944 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.719 1.440 -12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.035 -0.757 -13.162 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.202 -0.431 -11.623 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.564 -1.576 -11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.221 0.101 -13.616 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.906 -0.673 -12.167 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.116 1.076 -12.426 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.210 2.957 -9.957 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.219 3.992 -9.823 1.00 0.00 C ATOM 1753 C PHE A 114 -7.729 5.220 -10.580 1.00 0.00 C ATOM 1754 O PHE A 114 -6.523 5.435 -10.718 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.485 4.300 -8.338 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.294 4.807 -7.544 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.421 3.888 -6.938 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.079 6.187 -7.365 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.381 4.338 -6.108 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.034 6.638 -6.538 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.198 5.710 -5.889 1.00 0.00 C ATOM 0 H PHE A 114 -6.266 3.323 -10.082 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.168 3.662 -10.245 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.281 5.043 -8.277 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.857 3.394 -7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.550 2.830 -7.111 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.718 6.901 -7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.721 3.625 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.873 7.697 -6.401 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.419 6.054 -5.225 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.654 6.040 -11.070 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.352 7.354 -11.617 1.00 0.00 C ATOM 1773 C ASN A 115 -8.716 8.414 -10.590 1.00 0.00 C ATOM 1774 O ASN A 115 -9.549 8.168 -9.714 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.144 7.593 -12.907 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.627 7.806 -12.635 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.303 6.915 -12.120 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.157 8.970 -12.950 1.00 0.00 N ATOM 0 H ASN A 115 -9.646 5.805 -11.098 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.288 7.409 -11.849 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -8.741 8.464 -13.423 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.017 6.740 -13.574 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.145 9.147 -12.768 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.579 9.695 -13.376 1.00 0.00 H new ATOM 1785 N THR A 116 -8.157 9.605 -10.736 1.00 0.00 N ATOM 1786 CA THR A 116 -8.525 10.767 -9.952 1.00 0.00 C ATOM 1787 C THR A 116 -9.304 11.729 -10.871 1.00 0.00 C ATOM 1788 O THR A 116 -9.027 11.765 -12.073 1.00 0.00 O ATOM 1789 CB THR A 116 -7.256 11.353 -9.312 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.262 11.627 -10.278 1.00 0.00 O ATOM 1791 CG2 THR A 116 -6.649 10.379 -8.296 1.00 0.00 C ATOM 0 H THR A 116 -7.421 9.792 -11.417 1.00 0.00 H new ATOM 0 HA THR A 116 -9.188 10.532 -9.119 1.00 0.00 H new ATOM 0 HB THR A 116 -7.564 12.276 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.443 11.924 -9.829 1.00 0.00 H new ATOM 0 HG21 THR A 116 -5.753 10.820 -7.860 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.374 10.176 -7.508 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.387 9.447 -8.797 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.299 12.477 -10.350 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.328 13.138 -11.155 1.00 0.00 C ATOM 1801 C PRO A 117 -10.771 14.251 -12.057 1.00 0.00 C ATOM 1802 O PRO A 117 -10.388 13.971 -13.191 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.417 13.577 -10.164 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.748 13.558 -8.786 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.661 12.504 -8.941 1.00 0.00 C ATOM 0 HA PRO A 117 -11.760 12.461 -11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.789 14.572 -10.406 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.271 12.901 -10.195 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.331 14.531 -8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.455 13.295 -7.999 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.796 12.747 -8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.020 11.528 -8.615 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.690 15.501 -11.584 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.063 16.590 -12.344 1.00 0.00 C ATOM 1815 C GLU A 118 -9.276 17.548 -11.448 1.00 0.00 C ATOM 1816 O GLU A 118 -8.209 18.027 -11.822 1.00 0.00 O ATOM 1817 CB GLU A 118 -11.092 17.330 -13.221 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.381 18.375 -14.103 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.100 18.753 -15.403 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -12.330 18.945 -15.434 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -10.378 18.976 -16.409 1.00 0.00 O ATOM 0 H GLU A 118 -11.053 15.784 -10.674 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.335 16.132 -13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.627 16.617 -13.848 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.834 17.819 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.236 19.281 -13.514 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.391 17.996 -14.355 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.777 17.767 -10.237 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.347 18.811 -9.311 1.00 0.00 C ATOM 1830 C GLY A 119 -9.688 20.200 -9.860 1.00 0.00 C ATOM 1831 O GLY A 119 -9.607 20.444 -11.061 1.00 0.00 O ATOM 0 H GLY A 119 -10.530 17.194 -9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.831 18.668 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.273 18.735 -9.144 1.00 0.00 H new ATOM 1835 N SER A 120 -10.052 21.142 -8.985 1.00 0.00 N ATOM 1836 CA SER A 120 -10.755 22.348 -9.421 1.00 0.00 C ATOM 1837 C SER A 120 -12.005 21.970 -10.242 1.00 0.00 C ATOM 1838 O SER A 120 -12.549 20.875 -10.067 1.00 0.00 O ATOM 1839 CB SER A 120 -9.771 23.321 -10.102 1.00 0.00 C ATOM 1840 OG SER A 120 -9.435 24.351 -9.192 1.00 0.00 O ATOM 0 H SER A 120 -9.873 21.093 -7.982 1.00 0.00 H new ATOM 0 HA SER A 120 -11.145 22.902 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 120 -8.873 22.789 -10.416 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.221 23.744 -11.000 1.00 0.00 H new ATOM 0 HG SER A 120 -8.808 24.972 -9.618 1.00 0.00 H new ATOM 1846 N GLY A 121 -12.567 22.911 -10.994 1.00 0.00 N ATOM 1847 CA GLY A 121 -13.947 22.880 -11.447 1.00 0.00 C ATOM 1848 C GLY A 121 -14.804 23.687 -10.467 1.00 0.00 C ATOM 1849 O GLY A 121 -14.381 23.918 -9.321 1.00 0.00 O ATOM 0 H GLY A 121 -12.059 23.736 -11.312 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.025 23.299 -12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -14.304 21.851 -11.502 1.00 0.00 H new ATOM 1853 N PRO A 122 -15.999 24.134 -10.880 1.00 0.00 N ATOM 1854 CA PRO A 122 -16.748 25.142 -10.150 1.00 0.00 C ATOM 1855 C PRO A 122 -17.348 24.553 -8.875 1.00 0.00 C ATOM 1856 O PRO A 122 -18.227 23.687 -8.941 1.00 0.00 O ATOM 1857 CB PRO A 122 -17.807 25.661 -11.129 1.00 0.00 C ATOM 1858 CG PRO A 122 -18.017 24.498 -12.096 1.00 0.00 C ATOM 1859 CD PRO A 122 -16.649 23.818 -12.144 1.00 0.00 C ATOM 0 HA PRO A 122 -16.118 25.964 -9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -18.731 25.924 -10.615 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -17.465 26.556 -11.649 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -18.791 23.817 -11.742 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -18.326 24.847 -13.081 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -16.753 22.740 -12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -16.061 24.182 -12.987 1.00 0.00 H new ATOM 1867 N SER A 123 -16.896 25.027 -7.710 1.00 0.00 N ATOM 1868 CA SER A 123 -17.571 24.757 -6.446 1.00 0.00 C ATOM 1869 C SER A 123 -18.980 25.348 -6.465 1.00 0.00 C ATOM 1870 O SER A 123 -19.925 24.674 -6.054 1.00 0.00 O ATOM 1871 CB SER A 123 -16.770 25.348 -5.286 1.00 0.00 C ATOM 1872 OG SER A 123 -15.581 24.612 -5.091 1.00 0.00 O ATOM 0 H SER A 123 -16.059 25.603 -7.621 1.00 0.00 H new ATOM 0 HA SER A 123 -17.644 23.678 -6.310 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.531 26.391 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.369 25.333 -4.376 1.00 0.00 H new ATOM 0 HG SER A 123 -15.075 25.000 -4.347 1.00 0.00 H new ATOM 1878 N SER A 124 -19.118 26.571 -6.966 1.00 0.00 N ATOM 1879 CA SER A 124 -20.377 27.198 -7.321 1.00 0.00 C ATOM 1880 C SER A 124 -20.163 27.945 -8.639 1.00 0.00 C ATOM 1881 O SER A 124 -19.025 28.266 -9.006 1.00 0.00 O ATOM 1882 CB SER A 124 -20.824 28.150 -6.203 1.00 0.00 C ATOM 1883 OG SER A 124 -20.987 27.455 -4.979 1.00 0.00 O ATOM 0 H SER A 124 -18.316 27.176 -7.142 1.00 0.00 H new ATOM 0 HA SER A 124 -21.165 26.455 -7.444 1.00 0.00 H new ATOM 0 HB2 SER A 124 -20.087 28.943 -6.079 1.00 0.00 H new ATOM 0 HB3 SER A 124 -21.763 28.628 -6.482 1.00 0.00 H new ATOM 0 HG SER A 124 -21.270 28.083 -4.282 1.00 0.00 H new ATOM 1889 N GLY A 125 -21.257 28.251 -9.324 1.00 0.00 N ATOM 1890 CA GLY A 125 -21.348 29.102 -10.496 1.00 0.00 C ATOM 1891 C GLY A 125 -22.737 29.716 -10.497 1.00 0.00 C ATOM 1892 O GLY A 125 -22.988 30.572 -11.361 1.00 0.00 O ATOM 0 H GLY A 125 -22.169 27.882 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -20.584 29.879 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -21.182 28.524 -11.405 1.00 0.00 H new TER 1896 GLY A 125