USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 603 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 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 9 ASN : amide:sc= -0.0346 K(o=-0.035,f=-2!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.478 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 17 THR OG1 : rot 57:sc= 0.704 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00392 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 28 GLN : amide:sc= -7.93! C(o=-7.9!,f=-15!) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.27 (180deg=0.205) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 0.0518 (180deg=0.0129) USER MOD Single : A 32 MET CE :methyl 163:sc= -3.67! (180deg=-4.34!) USER MOD Single : A 44 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -7.89! C(o=-7.9!,f=-9.9!) USER MOD Single : A 53 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.12) USER MOD Single : A 55 CYS SG : rot 70:sc= -3.02! USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.2! USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc=-0.000466 (180deg=-0.0677) USER MOD Single : A 69 MET CE :methyl 138:sc= -3.32! (180deg=-7.92!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0.672 K(o=0.67,f=-0.88) USER MOD Single : A 72 ASN : amide:sc= -0.845! K(o=-0.85!,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= 0.176 (180deg=0.0677) USER MOD Single : A 74 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.4) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.845 6.731 2.044 1.00 0.00 N ATOM 2 CA GLY A 1 -14.994 5.945 1.627 1.00 0.00 C ATOM 3 C GLY A 1 -14.556 4.593 1.060 1.00 0.00 C ATOM 4 O GLY A 1 -13.370 4.371 0.821 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.883 6.882 3.072 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.970 6.224 1.800 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.859 7.650 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.660 5.789 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.560 6.493 0.874 1.00 0.00 H new ATOM 8 N SER A 2 -15.538 3.726 0.860 1.00 0.00 N ATOM 9 CA SER A 2 -15.269 2.402 0.326 1.00 0.00 C ATOM 10 C SER A 2 -16.537 1.826 -0.308 1.00 0.00 C ATOM 11 O SER A 2 -17.506 1.531 0.391 1.00 0.00 O ATOM 12 CB SER A 2 -14.747 1.463 1.416 1.00 0.00 C ATOM 13 OG SER A 2 -15.668 1.334 2.495 1.00 0.00 O ATOM 0 H SER A 2 -16.521 3.915 1.058 1.00 0.00 H new ATOM 0 HA SER A 2 -14.497 2.492 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.553 0.481 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.796 1.839 1.794 1.00 0.00 H new ATOM 0 HG SER A 2 -16.584 1.359 2.148 1.00 0.00 H new ATOM 19 N SER A 3 -16.490 1.683 -1.624 1.00 0.00 N ATOM 20 CA SER A 3 -17.623 1.147 -2.359 1.00 0.00 C ATOM 21 C SER A 3 -17.170 0.661 -3.737 1.00 0.00 C ATOM 22 O SER A 3 -16.862 1.467 -4.614 1.00 0.00 O ATOM 23 CB SER A 3 -18.730 2.194 -2.504 1.00 0.00 C ATOM 24 OG SER A 3 -20.005 1.676 -2.133 1.00 0.00 O ATOM 0 H SER A 3 -15.685 1.929 -2.200 1.00 0.00 H new ATOM 0 HA SER A 3 -18.027 0.304 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.495 3.059 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.766 2.543 -3.536 1.00 0.00 H new ATOM 0 HG SER A 3 -20.685 2.374 -2.237 1.00 0.00 H new ATOM 30 N GLY A 4 -17.143 -0.655 -3.885 1.00 0.00 N ATOM 31 CA GLY A 4 -16.732 -1.259 -5.142 1.00 0.00 C ATOM 32 C GLY A 4 -17.748 -0.966 -6.248 1.00 0.00 C ATOM 33 O GLY A 4 -18.937 -1.236 -6.091 1.00 0.00 O ATOM 0 H GLY A 4 -17.399 -1.321 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.753 -0.876 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.628 -2.337 -5.015 1.00 0.00 H new ATOM 37 N SER A 5 -17.241 -0.418 -7.343 1.00 0.00 N ATOM 38 CA SER A 5 -18.089 -0.085 -8.475 1.00 0.00 C ATOM 39 C SER A 5 -17.247 0.524 -9.598 1.00 0.00 C ATOM 40 O SER A 5 -16.136 0.996 -9.360 1.00 0.00 O ATOM 41 CB SER A 5 -19.203 0.879 -8.064 1.00 0.00 C ATOM 42 OG SER A 5 -18.704 1.984 -7.315 1.00 0.00 O ATOM 0 H SER A 5 -16.254 -0.196 -7.470 1.00 0.00 H new ATOM 0 HA SER A 5 -18.555 -1.002 -8.835 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.712 1.246 -8.955 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.945 0.344 -7.471 1.00 0.00 H new ATOM 0 HG SER A 5 -19.446 2.577 -7.073 1.00 0.00 H new ATOM 48 N SER A 6 -17.808 0.493 -10.798 1.00 0.00 N ATOM 49 CA SER A 6 -17.123 1.036 -11.958 1.00 0.00 C ATOM 50 C SER A 6 -18.028 2.036 -12.680 1.00 0.00 C ATOM 51 O SER A 6 -19.246 1.862 -12.717 1.00 0.00 O ATOM 52 CB SER A 6 -16.692 -0.077 -12.915 1.00 0.00 C ATOM 53 OG SER A 6 -15.483 0.243 -13.598 1.00 0.00 O ATOM 0 H SER A 6 -18.729 0.100 -10.992 1.00 0.00 H new ATOM 0 HA SER A 6 -16.225 1.550 -11.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.558 -1.003 -12.356 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.483 -0.255 -13.643 1.00 0.00 H new ATOM 0 HG SER A 6 -15.241 -0.493 -14.198 1.00 0.00 H new ATOM 59 N GLY A 7 -17.399 3.060 -13.238 1.00 0.00 N ATOM 60 CA GLY A 7 -18.134 4.088 -13.957 1.00 0.00 C ATOM 61 C GLY A 7 -18.059 5.429 -13.224 1.00 0.00 C ATOM 62 O GLY A 7 -19.016 5.835 -12.566 1.00 0.00 O ATOM 0 H GLY A 7 -16.389 3.200 -13.207 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.727 4.196 -14.962 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.176 3.787 -14.066 1.00 0.00 H new ATOM 66 N SER A 8 -16.913 6.080 -13.363 1.00 0.00 N ATOM 67 CA SER A 8 -16.702 7.367 -12.722 1.00 0.00 C ATOM 68 C SER A 8 -17.109 7.292 -11.250 1.00 0.00 C ATOM 69 O SER A 8 -18.262 7.548 -10.907 1.00 0.00 O ATOM 70 CB SER A 8 -17.485 8.472 -13.434 1.00 0.00 C ATOM 71 OG SER A 8 -16.623 9.441 -14.025 1.00 0.00 O ATOM 0 H SER A 8 -16.122 5.741 -13.910 1.00 0.00 H new ATOM 0 HA SER A 8 -15.642 7.611 -12.787 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.116 8.030 -14.205 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.148 8.963 -12.722 1.00 0.00 H new ATOM 0 HG SER A 8 -17.161 10.128 -14.471 1.00 0.00 H new ATOM 77 N ASN A 9 -16.140 6.939 -10.418 1.00 0.00 N ATOM 78 CA ASN A 9 -16.384 6.828 -8.990 1.00 0.00 C ATOM 79 C ASN A 9 -15.362 7.680 -8.234 1.00 0.00 C ATOM 80 O ASN A 9 -14.260 7.916 -8.726 1.00 0.00 O ATOM 81 CB ASN A 9 -16.233 5.380 -8.517 1.00 0.00 C ATOM 82 CG ASN A 9 -17.600 4.735 -8.283 1.00 0.00 C ATOM 83 OD1 ASN A 9 -18.153 4.765 -7.196 1.00 0.00 O ATOM 84 ND2 ASN A 9 -18.114 4.150 -9.362 1.00 0.00 N ATOM 0 H ASN A 9 -15.185 6.726 -10.705 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.401 7.168 -8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.679 4.807 -9.260 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.652 5.353 -7.595 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.023 3.691 -9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.599 4.161 -10.242 1.00 0.00 H new ATOM 91 N PRO A 10 -15.777 8.132 -7.020 1.00 0.00 N ATOM 92 CA PRO A 10 -14.910 8.953 -6.192 1.00 0.00 C ATOM 93 C PRO A 10 -13.812 8.110 -5.542 1.00 0.00 C ATOM 94 O PRO A 10 -12.667 8.547 -5.439 1.00 0.00 O ATOM 95 CB PRO A 10 -15.837 9.604 -5.178 1.00 0.00 C ATOM 96 CG PRO A 10 -17.108 8.770 -5.179 1.00 0.00 C ATOM 97 CD PRO A 10 -17.076 7.873 -6.406 1.00 0.00 C ATOM 0 HA PRO A 10 -14.373 9.709 -6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.382 9.621 -4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.048 10.638 -5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -17.173 8.172 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -17.987 9.414 -5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -17.182 6.823 -6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -17.891 8.108 -7.090 1.00 0.00 H new ATOM 105 N SER A 11 -14.199 6.915 -5.120 1.00 0.00 N ATOM 106 CA SER A 11 -13.262 6.006 -4.482 1.00 0.00 C ATOM 107 C SER A 11 -13.406 4.604 -5.077 1.00 0.00 C ATOM 108 O SER A 11 -14.464 4.253 -5.598 1.00 0.00 O ATOM 109 CB SER A 11 -13.476 5.966 -2.968 1.00 0.00 C ATOM 110 OG SER A 11 -12.677 6.931 -2.290 1.00 0.00 O ATOM 0 H SER A 11 -15.149 6.555 -5.208 1.00 0.00 H new ATOM 0 HA SER A 11 -12.252 6.370 -4.668 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.528 6.146 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.237 4.970 -2.594 1.00 0.00 H new ATOM 0 HG SER A 11 -12.844 6.875 -1.326 1.00 0.00 H new ATOM 116 N SER A 12 -12.328 3.840 -4.978 1.00 0.00 N ATOM 117 CA SER A 12 -12.322 2.483 -5.499 1.00 0.00 C ATOM 118 C SER A 12 -12.582 2.501 -7.007 1.00 0.00 C ATOM 119 O SER A 12 -13.633 2.957 -7.454 1.00 0.00 O ATOM 120 CB SER A 12 -13.365 1.616 -4.791 1.00 0.00 C ATOM 121 OG SER A 12 -12.977 1.296 -3.458 1.00 0.00 O ATOM 0 H SER A 12 -11.453 4.135 -4.545 1.00 0.00 H new ATOM 0 HA SER A 12 -11.340 2.049 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.321 2.140 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.515 0.696 -5.356 1.00 0.00 H new ATOM 0 HG SER A 12 -13.670 0.743 -3.039 1.00 0.00 H new ATOM 127 N SER A 13 -11.606 1.998 -7.749 1.00 0.00 N ATOM 128 CA SER A 13 -11.716 1.950 -9.197 1.00 0.00 C ATOM 129 C SER A 13 -10.534 1.177 -9.786 1.00 0.00 C ATOM 130 O SER A 13 -9.404 1.313 -9.320 1.00 0.00 O ATOM 131 CB SER A 13 -11.778 3.359 -9.791 1.00 0.00 C ATOM 132 OG SER A 13 -11.557 3.354 -11.199 1.00 0.00 O ATOM 0 H SER A 13 -10.736 1.620 -7.374 1.00 0.00 H new ATOM 0 HA SER A 13 -12.642 1.436 -9.453 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.752 3.800 -9.578 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.031 3.989 -9.309 1.00 0.00 H new ATOM 0 HG SER A 13 -11.606 4.271 -11.541 1.00 0.00 H new ATOM 138 N GLY A 14 -10.836 0.382 -10.802 1.00 0.00 N ATOM 139 CA GLY A 14 -9.813 -0.413 -11.459 1.00 0.00 C ATOM 140 C GLY A 14 -9.722 -0.067 -12.947 1.00 0.00 C ATOM 141 O GLY A 14 -9.592 1.101 -13.309 1.00 0.00 O ATOM 0 H GLY A 14 -11.774 0.272 -11.186 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.849 -0.238 -10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.039 -1.473 -11.341 1.00 0.00 H new ATOM 145 N GLY A 15 -9.793 -1.104 -13.768 1.00 0.00 N ATOM 146 CA GLY A 15 -9.720 -0.924 -15.208 1.00 0.00 C ATOM 147 C GLY A 15 -8.608 -1.785 -15.812 1.00 0.00 C ATOM 148 O GLY A 15 -7.685 -1.265 -16.437 1.00 0.00 O ATOM 0 H GLY A 15 -9.900 -2.072 -13.464 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.676 -1.188 -15.660 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.538 0.126 -15.438 1.00 0.00 H new ATOM 152 N THR A 16 -8.734 -3.088 -15.606 1.00 0.00 N ATOM 153 CA THR A 16 -7.752 -4.026 -16.122 1.00 0.00 C ATOM 154 C THR A 16 -8.047 -4.355 -17.587 1.00 0.00 C ATOM 155 O THR A 16 -9.151 -4.109 -18.072 1.00 0.00 O ATOM 156 CB THR A 16 -7.747 -5.255 -15.212 1.00 0.00 C ATOM 157 OG1 THR A 16 -9.082 -5.748 -15.288 1.00 0.00 O ATOM 158 CG2 THR A 16 -7.569 -4.891 -13.736 1.00 0.00 C ATOM 0 H THR A 16 -9.502 -3.516 -15.089 1.00 0.00 H new ATOM 0 HA THR A 16 -6.751 -3.595 -16.114 1.00 0.00 H new ATOM 0 HB THR A 16 -6.948 -5.930 -15.519 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.168 -6.547 -14.728 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.573 -5.800 -13.134 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.621 -4.370 -13.601 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.387 -4.243 -13.420 1.00 0.00 H new ATOM 166 N THR A 17 -7.042 -4.907 -18.250 1.00 0.00 N ATOM 167 CA THR A 17 -7.181 -5.273 -19.650 1.00 0.00 C ATOM 168 C THR A 17 -5.975 -6.096 -20.107 1.00 0.00 C ATOM 169 O THR A 17 -6.131 -7.090 -20.816 1.00 0.00 O ATOM 170 CB THR A 17 -7.381 -3.988 -20.457 1.00 0.00 C ATOM 171 OG1 THR A 17 -8.761 -4.013 -20.812 1.00 0.00 O ATOM 172 CG2 THR A 17 -6.650 -4.021 -21.800 1.00 0.00 C ATOM 0 H THR A 17 -6.128 -5.110 -17.844 1.00 0.00 H new ATOM 0 HA THR A 17 -8.050 -5.912 -19.808 1.00 0.00 H new ATOM 0 HB THR A 17 -7.032 -3.135 -19.875 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.307 -4.071 -20.000 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.825 -3.086 -22.332 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.581 -4.147 -21.629 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.023 -4.853 -22.397 1.00 0.00 H new ATOM 180 N LYS A 18 -4.801 -5.653 -19.684 1.00 0.00 N ATOM 181 CA LYS A 18 -3.569 -6.337 -20.041 1.00 0.00 C ATOM 182 C LYS A 18 -2.397 -5.683 -19.307 1.00 0.00 C ATOM 183 O LYS A 18 -1.545 -6.375 -18.750 1.00 0.00 O ATOM 184 CB LYS A 18 -3.399 -6.375 -21.561 1.00 0.00 C ATOM 185 CG LYS A 18 -2.888 -5.033 -22.089 1.00 0.00 C ATOM 186 CD LYS A 18 -2.778 -5.050 -23.615 1.00 0.00 C ATOM 187 CE LYS A 18 -1.804 -3.977 -24.106 1.00 0.00 C ATOM 188 NZ LYS A 18 -2.478 -2.662 -24.185 1.00 0.00 N ATOM 0 H LYS A 18 -4.676 -4.828 -19.097 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.604 -7.378 -19.721 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.701 -7.167 -21.833 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.352 -6.616 -22.031 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.563 -4.235 -21.778 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.913 -4.814 -21.653 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.441 -6.032 -23.948 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.761 -4.883 -24.056 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.951 -3.915 -23.430 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.415 -4.252 -25.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.803 -1.945 -24.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.277 -2.721 -24.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.828 -2.394 -23.243 1.00 0.00 H new ATOM 202 N ARG A 19 -2.390 -4.359 -19.330 1.00 0.00 N ATOM 203 CA ARG A 19 -1.336 -3.604 -18.674 1.00 0.00 C ATOM 204 C ARG A 19 -1.445 -3.751 -17.155 1.00 0.00 C ATOM 205 O ARG A 19 -2.509 -3.526 -16.581 1.00 0.00 O ATOM 206 CB ARG A 19 -1.409 -2.121 -19.043 1.00 0.00 C ATOM 207 CG ARG A 19 -0.614 -1.833 -20.318 1.00 0.00 C ATOM 208 CD ARG A 19 0.649 -1.026 -20.007 1.00 0.00 C ATOM 209 NE ARG A 19 0.634 0.247 -20.761 1.00 0.00 N ATOM 210 CZ ARG A 19 1.547 1.217 -20.615 1.00 0.00 C ATOM 211 NH1 ARG A 19 2.552 1.065 -19.742 1.00 0.00 N ATOM 212 NH2 ARG A 19 1.455 2.339 -21.342 1.00 0.00 N ATOM 0 H ARG A 19 -3.098 -3.789 -19.793 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.381 -4.004 -19.014 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.449 -1.829 -19.185 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.018 -1.519 -18.223 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.341 -2.772 -20.800 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.237 -1.282 -21.023 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.707 -0.824 -18.937 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.534 -1.604 -20.271 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.118 0.395 -21.434 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.622 0.211 -19.189 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.247 1.803 -19.631 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.690 2.455 -22.007 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.150 3.077 -21.231 1.00 0.00 H new ATOM 226 N PHE A 20 -0.329 -4.127 -16.547 1.00 0.00 N ATOM 227 CA PHE A 20 -0.286 -4.306 -15.106 1.00 0.00 C ATOM 228 C PHE A 20 0.697 -3.328 -14.461 1.00 0.00 C ATOM 229 O PHE A 20 1.746 -3.030 -15.030 1.00 0.00 O ATOM 230 CB PHE A 20 0.192 -5.736 -14.847 1.00 0.00 C ATOM 231 CG PHE A 20 1.575 -6.044 -15.426 1.00 0.00 C ATOM 232 CD1 PHE A 20 2.692 -5.753 -14.708 1.00 0.00 C ATOM 233 CD2 PHE A 20 1.686 -6.609 -16.658 1.00 0.00 C ATOM 234 CE1 PHE A 20 3.976 -6.039 -15.244 1.00 0.00 C ATOM 235 CE2 PHE A 20 2.969 -6.895 -17.195 1.00 0.00 C ATOM 236 CZ PHE A 20 4.087 -6.604 -16.477 1.00 0.00 C ATOM 0 H PHE A 20 0.552 -4.312 -17.026 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.272 -4.123 -14.679 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.212 -5.912 -13.772 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.531 -6.432 -15.271 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.603 -5.304 -13.730 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.798 -6.840 -17.228 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.863 -5.808 -14.673 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.057 -7.344 -18.173 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.063 -6.821 -16.885 1.00 0.00 H new ATOM 246 N ARG A 21 0.323 -2.854 -13.281 1.00 0.00 N ATOM 247 CA ARG A 21 1.159 -1.915 -12.553 1.00 0.00 C ATOM 248 C ARG A 21 1.940 -2.641 -11.455 1.00 0.00 C ATOM 249 O ARG A 21 1.660 -3.800 -11.152 1.00 0.00 O ATOM 250 CB ARG A 21 0.318 -0.804 -11.921 1.00 0.00 C ATOM 251 CG ARG A 21 -0.462 -0.033 -12.988 1.00 0.00 C ATOM 252 CD ARG A 21 -0.395 1.474 -12.735 1.00 0.00 C ATOM 253 NE ARG A 21 -0.184 2.193 -14.011 1.00 0.00 N ATOM 254 CZ ARG A 21 0.935 2.109 -14.744 1.00 0.00 C ATOM 255 NH1 ARG A 21 1.950 1.337 -14.332 1.00 0.00 N ATOM 256 NH2 ARG A 21 1.039 2.797 -15.889 1.00 0.00 N ATOM 0 H ARG A 21 -0.548 -3.103 -12.811 1.00 0.00 H new ATOM 0 HA ARG A 21 1.854 -1.469 -13.264 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.375 -1.234 -11.198 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.966 -0.120 -11.373 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.056 -0.258 -13.974 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.502 -0.359 -12.990 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.318 1.813 -12.265 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.416 1.699 -12.043 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.937 2.790 -14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.871 0.813 -13.460 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.801 1.273 -14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.267 3.385 -16.203 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.891 2.733 -16.447 1.00 0.00 H new ATOM 270 N THR A 22 2.903 -1.929 -10.889 1.00 0.00 N ATOM 271 CA THR A 22 3.726 -2.490 -9.831 1.00 0.00 C ATOM 272 C THR A 22 2.858 -3.248 -8.825 1.00 0.00 C ATOM 273 O THR A 22 1.707 -2.881 -8.592 1.00 0.00 O ATOM 274 CB THR A 22 4.531 -1.351 -9.203 1.00 0.00 C ATOM 275 OG1 THR A 22 3.564 -0.329 -8.972 1.00 0.00 O ATOM 276 CG2 THR A 22 5.515 -0.717 -10.187 1.00 0.00 C ATOM 0 H THR A 22 3.132 -0.968 -11.143 1.00 0.00 H new ATOM 0 HA THR A 22 4.429 -3.225 -10.224 1.00 0.00 H new ATOM 0 HB THR A 22 5.076 -1.727 -8.337 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.000 0.448 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.060 0.085 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.219 -1.473 -10.535 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.968 -0.311 -11.038 1.00 0.00 H new ATOM 284 N LYS A 23 3.442 -4.292 -8.255 1.00 0.00 N ATOM 285 CA LYS A 23 2.736 -5.104 -7.279 1.00 0.00 C ATOM 286 C LYS A 23 3.565 -5.187 -5.996 1.00 0.00 C ATOM 287 O LYS A 23 4.709 -5.637 -6.019 1.00 0.00 O ATOM 288 CB LYS A 23 2.384 -6.470 -7.873 1.00 0.00 C ATOM 289 CG LYS A 23 1.466 -7.256 -6.935 1.00 0.00 C ATOM 290 CD LYS A 23 0.402 -8.022 -7.723 1.00 0.00 C ATOM 291 CE LYS A 23 -0.326 -9.026 -6.828 1.00 0.00 C ATOM 292 NZ LYS A 23 0.206 -10.391 -7.039 1.00 0.00 N ATOM 0 H LYS A 23 4.396 -4.594 -8.451 1.00 0.00 H new ATOM 0 HA LYS A 23 1.785 -4.642 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.895 -6.336 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.297 -7.038 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.057 -7.954 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.984 -6.573 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.316 -7.321 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.869 -8.545 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.209 -8.741 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.394 -9.008 -7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.300 -11.060 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.072 -10.666 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.220 -10.408 -6.809 1.00 0.00 H new ATOM 306 N PHE A 24 2.955 -4.745 -4.906 1.00 0.00 N ATOM 307 CA PHE A 24 3.621 -4.764 -3.615 1.00 0.00 C ATOM 308 C PHE A 24 2.768 -5.481 -2.567 1.00 0.00 C ATOM 309 O PHE A 24 1.648 -5.899 -2.854 1.00 0.00 O ATOM 310 CB PHE A 24 3.812 -3.307 -3.189 1.00 0.00 C ATOM 311 CG PHE A 24 4.922 -2.577 -3.948 1.00 0.00 C ATOM 312 CD1 PHE A 24 6.077 -3.227 -4.256 1.00 0.00 C ATOM 313 CD2 PHE A 24 4.755 -1.278 -4.316 1.00 0.00 C ATOM 314 CE1 PHE A 24 7.107 -2.550 -4.961 1.00 0.00 C ATOM 315 CE2 PHE A 24 5.785 -0.601 -5.020 1.00 0.00 C ATOM 316 CZ PHE A 24 6.939 -1.251 -5.328 1.00 0.00 C ATOM 0 H PHE A 24 2.006 -4.371 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 24 4.571 -5.293 -3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.874 -2.771 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.035 -3.277 -2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.210 -4.258 -3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.838 -0.762 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.023 -3.066 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.652 0.431 -5.311 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.722 -0.736 -5.864 1.00 0.00 H new ATOM 326 N THR A 25 3.331 -5.602 -1.374 1.00 0.00 N ATOM 327 CA THR A 25 2.636 -6.262 -0.282 1.00 0.00 C ATOM 328 C THR A 25 1.924 -5.231 0.597 1.00 0.00 C ATOM 329 O THR A 25 2.289 -4.057 0.602 1.00 0.00 O ATOM 330 CB THR A 25 3.654 -7.111 0.482 1.00 0.00 C ATOM 331 OG1 THR A 25 2.907 -7.659 1.565 1.00 0.00 O ATOM 332 CG2 THR A 25 4.730 -6.263 1.164 1.00 0.00 C ATOM 0 H THR A 25 4.261 -5.254 -1.140 1.00 0.00 H new ATOM 0 HA THR A 25 1.853 -6.923 -0.654 1.00 0.00 H new ATOM 0 HB THR A 25 4.126 -7.814 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.491 -8.225 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.426 -6.915 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.270 -5.687 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.261 -5.582 1.874 1.00 0.00 H new ATOM 340 N ALA A 26 0.919 -5.709 1.317 1.00 0.00 N ATOM 341 CA ALA A 26 0.152 -4.844 2.197 1.00 0.00 C ATOM 342 C ALA A 26 1.091 -3.831 2.856 1.00 0.00 C ATOM 343 O ALA A 26 0.896 -2.624 2.728 1.00 0.00 O ATOM 344 CB ALA A 26 -0.599 -5.695 3.223 1.00 0.00 C ATOM 0 H ALA A 26 0.619 -6.684 1.309 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.592 -4.284 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.174 -5.046 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.274 -6.377 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.116 -6.270 3.812 1.00 0.00 H new ATOM 350 N GLU A 27 2.091 -4.361 3.546 1.00 0.00 N ATOM 351 CA GLU A 27 3.061 -3.519 4.224 1.00 0.00 C ATOM 352 C GLU A 27 3.421 -2.315 3.352 1.00 0.00 C ATOM 353 O GLU A 27 3.098 -1.178 3.692 1.00 0.00 O ATOM 354 CB GLU A 27 4.311 -4.316 4.602 1.00 0.00 C ATOM 355 CG GLU A 27 5.224 -3.502 5.520 1.00 0.00 C ATOM 356 CD GLU A 27 5.236 -4.081 6.936 1.00 0.00 C ATOM 357 OE1 GLU A 27 5.296 -5.325 7.040 1.00 0.00 O ATOM 358 OE2 GLU A 27 5.184 -3.267 7.883 1.00 0.00 O ATOM 0 H GLU A 27 2.250 -5.363 3.650 1.00 0.00 H new ATOM 0 HA GLU A 27 2.612 -3.153 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.020 -5.241 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.854 -4.597 3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.237 -3.495 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.886 -2.466 5.550 1.00 0.00 H new ATOM 365 N GLN A 28 4.085 -2.606 2.243 1.00 0.00 N ATOM 366 CA GLN A 28 4.493 -1.561 1.319 1.00 0.00 C ATOM 367 C GLN A 28 3.381 -0.520 1.171 1.00 0.00 C ATOM 368 O GLN A 28 3.602 0.667 1.408 1.00 0.00 O ATOM 369 CB GLN A 28 4.876 -2.150 -0.040 1.00 0.00 C ATOM 370 CG GLN A 28 6.353 -1.895 -0.351 1.00 0.00 C ATOM 371 CD GLN A 28 6.930 -3.013 -1.222 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.217 -3.826 -1.788 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.258 -3.009 -1.297 1.00 0.00 N ATOM 0 H GLN A 28 4.351 -3.550 1.963 1.00 0.00 H new ATOM 0 HA GLN A 28 5.375 -1.067 1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.679 -3.222 -0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.255 -1.709 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.461 -0.938 -0.862 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.918 -1.825 0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.795 -2.300 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.740 -3.715 -1.853 1.00 0.00 H new ATOM 382 N LYS A 29 2.211 -1.002 0.780 1.00 0.00 N ATOM 383 CA LYS A 29 1.065 -0.128 0.598 1.00 0.00 C ATOM 384 C LYS A 29 0.864 0.713 1.860 1.00 0.00 C ATOM 385 O LYS A 29 0.634 1.919 1.777 1.00 0.00 O ATOM 386 CB LYS A 29 -0.169 -0.939 0.197 1.00 0.00 C ATOM 387 CG LYS A 29 0.015 -1.571 -1.184 1.00 0.00 C ATOM 388 CD LYS A 29 -0.014 -3.098 -1.095 1.00 0.00 C ATOM 389 CE LYS A 29 -1.275 -3.662 -1.754 1.00 0.00 C ATOM 390 NZ LYS A 29 -0.972 -4.157 -3.115 1.00 0.00 N ATOM 0 H LYS A 29 2.032 -1.987 0.584 1.00 0.00 H new ATOM 0 HA LYS A 29 1.243 0.566 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.352 -1.719 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.047 -0.293 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.773 -1.227 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.963 -1.246 -1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.870 -3.511 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.023 -3.406 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.678 -4.473 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.043 -2.890 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.769 -4.729 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.822 -3.349 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.112 -4.742 -3.088 1.00 0.00 H new ATOM 404 N GLU A 30 0.960 0.044 3.000 1.00 0.00 N ATOM 405 CA GLU A 30 0.792 0.715 4.278 1.00 0.00 C ATOM 406 C GLU A 30 1.863 1.793 4.457 1.00 0.00 C ATOM 407 O GLU A 30 1.545 2.952 4.718 1.00 0.00 O ATOM 408 CB GLU A 30 0.826 -0.289 5.432 1.00 0.00 C ATOM 409 CG GLU A 30 -0.355 -1.258 5.351 1.00 0.00 C ATOM 410 CD GLU A 30 -0.601 -1.937 6.700 1.00 0.00 C ATOM 411 OE1 GLU A 30 0.113 -2.926 6.976 1.00 0.00 O ATOM 412 OE2 GLU A 30 -1.497 -1.453 7.424 1.00 0.00 O ATOM 0 H GLU A 30 1.152 -0.956 3.065 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.185 1.197 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.762 -0.848 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.800 0.243 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.251 -0.720 5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.159 -2.013 4.590 1.00 0.00 H new ATOM 419 N LYS A 31 3.111 1.372 4.308 1.00 0.00 N ATOM 420 CA LYS A 31 4.231 2.287 4.449 1.00 0.00 C ATOM 421 C LYS A 31 4.005 3.505 3.551 1.00 0.00 C ATOM 422 O LYS A 31 3.979 4.637 4.030 1.00 0.00 O ATOM 423 CB LYS A 31 5.551 1.562 4.183 1.00 0.00 C ATOM 424 CG LYS A 31 5.642 0.270 4.997 1.00 0.00 C ATOM 425 CD LYS A 31 5.266 0.516 6.460 1.00 0.00 C ATOM 426 CE LYS A 31 3.842 0.037 6.748 1.00 0.00 C ATOM 427 NZ LYS A 31 3.705 -0.357 8.168 1.00 0.00 N ATOM 0 H LYS A 31 3.371 0.410 4.091 1.00 0.00 H new ATOM 0 HA LYS A 31 4.297 2.654 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.636 1.333 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.386 2.215 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.979 -0.481 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.655 -0.129 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.967 -0.005 7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.349 1.579 6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.131 0.830 6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.599 -0.809 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.698 -0.369 8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.110 -1.305 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.211 0.326 8.768 1.00 0.00 H new ATOM 441 N MET A 32 3.849 3.230 2.264 1.00 0.00 N ATOM 442 CA MET A 32 3.627 4.289 1.295 1.00 0.00 C ATOM 443 C MET A 32 2.436 5.161 1.698 1.00 0.00 C ATOM 444 O MET A 32 2.554 6.383 1.774 1.00 0.00 O ATOM 445 CB MET A 32 3.368 3.675 -0.082 1.00 0.00 C ATOM 446 CG MET A 32 4.654 3.096 -0.675 1.00 0.00 C ATOM 447 SD MET A 32 4.544 3.063 -2.457 1.00 0.00 S ATOM 448 CE MET A 32 4.478 1.301 -2.731 1.00 0.00 C ATOM 0 H MET A 32 3.872 2.289 1.870 1.00 0.00 H new ATOM 0 HA MET A 32 4.517 4.917 1.261 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.616 2.890 0.001 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.964 4.434 -0.752 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.509 3.697 -0.366 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.818 2.088 -0.294 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.110 1.103 -3.738 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.476 0.878 -2.620 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.807 0.844 -2.003 1.00 0.00 H new ATOM 458 N LEU A 33 1.316 4.498 1.945 1.00 0.00 N ATOM 459 CA LEU A 33 0.104 5.197 2.338 1.00 0.00 C ATOM 460 C LEU A 33 0.461 6.316 3.318 1.00 0.00 C ATOM 461 O LEU A 33 -0.020 7.441 3.184 1.00 0.00 O ATOM 462 CB LEU A 33 -0.931 4.211 2.882 1.00 0.00 C ATOM 463 CG LEU A 33 -2.026 3.779 1.904 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.139 4.827 1.831 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.439 3.470 0.526 1.00 0.00 C ATOM 0 H LEU A 33 1.222 3.484 1.881 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.362 5.667 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.408 3.319 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.407 4.659 3.754 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.474 2.858 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.905 4.496 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.583 4.956 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.723 5.776 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.238 3.165 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.949 4.360 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.711 2.664 0.613 1.00 0.00 H new ATOM 477 N ALA A 34 1.302 5.970 4.282 1.00 0.00 N ATOM 478 CA ALA A 34 1.730 6.931 5.284 1.00 0.00 C ATOM 479 C ALA A 34 2.873 7.776 4.718 1.00 0.00 C ATOM 480 O ALA A 34 2.764 8.999 4.636 1.00 0.00 O ATOM 481 CB ALA A 34 2.128 6.193 6.563 1.00 0.00 C ATOM 0 H ALA A 34 1.699 5.037 4.390 1.00 0.00 H new ATOM 0 HA ALA A 34 0.915 7.608 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.449 6.914 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.273 5.632 6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.946 5.506 6.347 1.00 0.00 H new ATOM 487 N PHE A 35 3.943 7.091 4.344 1.00 0.00 N ATOM 488 CA PHE A 35 5.106 7.763 3.789 1.00 0.00 C ATOM 489 C PHE A 35 4.688 8.888 2.839 1.00 0.00 C ATOM 490 O PHE A 35 5.117 10.030 2.996 1.00 0.00 O ATOM 491 CB PHE A 35 5.896 6.715 3.002 1.00 0.00 C ATOM 492 CG PHE A 35 7.345 7.113 2.717 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.221 7.274 3.745 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.758 7.307 1.436 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.567 7.643 3.481 1.00 0.00 C ATOM 496 CE2 PHE A 35 9.103 7.676 1.171 1.00 0.00 C ATOM 497 CZ PHE A 35 9.979 7.837 2.199 1.00 0.00 C ATOM 0 H PHE A 35 4.029 6.077 4.414 1.00 0.00 H new ATOM 0 HA PHE A 35 5.699 8.202 4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.890 5.777 3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.389 6.528 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.893 7.121 4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.062 7.180 0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.263 7.769 4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.431 7.829 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.002 8.119 1.997 1.00 0.00 H new ATOM 507 N ALA A 36 3.855 8.525 1.874 1.00 0.00 N ATOM 508 CA ALA A 36 3.374 9.489 0.899 1.00 0.00 C ATOM 509 C ALA A 36 2.636 10.616 1.624 1.00 0.00 C ATOM 510 O ALA A 36 2.928 11.792 1.411 1.00 0.00 O ATOM 511 CB ALA A 36 2.490 8.779 -0.128 1.00 0.00 C ATOM 0 H ALA A 36 3.501 7.577 1.747 1.00 0.00 H new ATOM 0 HA ALA A 36 4.208 9.936 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.129 9.502 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.069 8.008 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.641 8.320 0.378 1.00 0.00 H new ATOM 517 N GLU A 37 1.693 10.218 2.466 1.00 0.00 N ATOM 518 CA GLU A 37 0.911 11.180 3.223 1.00 0.00 C ATOM 519 C GLU A 37 1.834 12.168 3.939 1.00 0.00 C ATOM 520 O GLU A 37 1.531 13.357 4.022 1.00 0.00 O ATOM 521 CB GLU A 37 -0.013 10.473 4.217 1.00 0.00 C ATOM 522 CG GLU A 37 -1.426 10.332 3.648 1.00 0.00 C ATOM 523 CD GLU A 37 -2.108 11.697 3.527 1.00 0.00 C ATOM 524 OE1 GLU A 37 -2.008 12.469 4.505 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.713 11.936 2.460 1.00 0.00 O ATOM 0 H GLU A 37 1.453 9.242 2.640 1.00 0.00 H new ATOM 0 HA GLU A 37 0.284 11.738 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.388 9.487 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.047 11.035 5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.381 9.856 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.018 9.682 4.292 1.00 0.00 H new ATOM 532 N ARG A 38 2.942 11.640 4.437 1.00 0.00 N ATOM 533 CA ARG A 38 3.911 12.461 5.143 1.00 0.00 C ATOM 534 C ARG A 38 4.604 13.417 4.171 1.00 0.00 C ATOM 535 O ARG A 38 4.746 14.605 4.458 1.00 0.00 O ATOM 536 CB ARG A 38 4.965 11.595 5.836 1.00 0.00 C ATOM 537 CG ARG A 38 4.352 10.292 6.352 1.00 0.00 C ATOM 538 CD ARG A 38 4.837 9.980 7.769 1.00 0.00 C ATOM 539 NE ARG A 38 4.687 11.175 8.630 1.00 0.00 N ATOM 540 CZ ARG A 38 5.387 11.385 9.752 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.291 10.482 10.157 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.184 12.498 10.471 1.00 0.00 N ATOM 0 H ARG A 38 3.191 10.653 4.366 1.00 0.00 H new ATOM 0 HA ARG A 38 3.374 13.033 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.772 11.370 5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.406 12.147 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.265 10.370 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.617 9.472 5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.266 9.149 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.881 9.668 7.744 1.00 0.00 H new ATOM 0 HE ARG A 38 4.008 11.883 8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.446 9.635 9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.824 10.642 11.012 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.496 13.185 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.717 12.657 11.326 1.00 0.00 H new ATOM 556 N LEU A 39 5.019 12.863 3.041 1.00 0.00 N ATOM 557 CA LEU A 39 5.694 13.652 2.025 1.00 0.00 C ATOM 558 C LEU A 39 4.661 14.476 1.254 1.00 0.00 C ATOM 559 O LEU A 39 5.019 15.298 0.413 1.00 0.00 O ATOM 560 CB LEU A 39 6.554 12.754 1.133 1.00 0.00 C ATOM 561 CG LEU A 39 7.255 11.588 1.833 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.059 10.285 1.055 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.734 11.898 2.069 1.00 0.00 C ATOM 0 H LEU A 39 4.901 11.877 2.807 1.00 0.00 H new ATOM 0 HA LEU A 39 6.384 14.358 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.923 12.350 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.312 13.372 0.652 1.00 0.00 H new ATOM 0 HG LEU A 39 6.796 11.451 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.567 9.472 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.995 10.061 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.476 10.393 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.208 11.053 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.225 12.077 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.824 12.786 2.695 1.00 0.00 H new ATOM 575 N GLY A 40 3.398 14.226 1.568 1.00 0.00 N ATOM 576 CA GLY A 40 2.310 14.934 0.916 1.00 0.00 C ATOM 577 C GLY A 40 2.065 14.385 -0.492 1.00 0.00 C ATOM 578 O GLY A 40 1.553 15.093 -1.357 1.00 0.00 O ATOM 0 H GLY A 40 3.104 13.543 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.401 14.839 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.545 15.997 0.860 1.00 0.00 H new ATOM 582 N TRP A 41 2.443 13.129 -0.676 1.00 0.00 N ATOM 583 CA TRP A 41 2.270 12.477 -1.963 1.00 0.00 C ATOM 584 C TRP A 41 3.205 13.157 -2.966 1.00 0.00 C ATOM 585 O TRP A 41 2.937 13.159 -4.167 1.00 0.00 O ATOM 586 CB TRP A 41 0.804 12.503 -2.400 1.00 0.00 C ATOM 587 CG TRP A 41 -0.131 11.709 -1.486 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.838 12.156 -0.439 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.435 10.301 -1.582 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.572 11.144 0.145 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.319 9.980 -0.572 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.021 9.332 -2.492 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.823 8.688 -0.376 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.491 8.046 -2.282 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.381 7.706 -1.270 1.00 0.00 C ATOM 0 H TRP A 41 2.868 12.545 0.044 1.00 0.00 H new ATOM 0 HA TRP A 41 2.535 11.422 -1.899 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.465 13.538 -2.438 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.730 12.106 -3.412 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.834 13.180 -0.095 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.187 11.233 0.954 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.712 9.561 -3.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.515 8.462 0.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.172 7.263 -2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.730 6.688 -1.174 1.00 0.00 H new ATOM 606 N ARG A 42 4.282 13.717 -2.437 1.00 0.00 N ATOM 607 CA ARG A 42 5.258 14.399 -3.271 1.00 0.00 C ATOM 608 C ARG A 42 6.664 14.219 -2.696 1.00 0.00 C ATOM 609 O ARG A 42 6.834 14.114 -1.483 1.00 0.00 O ATOM 610 CB ARG A 42 4.944 15.892 -3.377 1.00 0.00 C ATOM 611 CG ARG A 42 4.953 16.554 -1.997 1.00 0.00 C ATOM 612 CD ARG A 42 4.958 18.079 -2.120 1.00 0.00 C ATOM 613 NE ARG A 42 3.585 18.571 -2.374 1.00 0.00 N ATOM 614 CZ ARG A 42 3.286 19.842 -2.674 1.00 0.00 C ATOM 615 NH1 ARG A 42 4.261 20.757 -2.759 1.00 0.00 N ATOM 616 NH2 ARG A 42 2.012 20.198 -2.888 1.00 0.00 N ATOM 0 H ARG A 42 4.501 13.713 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 42 5.210 13.958 -4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.677 16.377 -4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.969 16.030 -3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.078 16.234 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.831 16.228 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.349 18.525 -1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.619 18.384 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 42 2.819 17.900 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.231 20.486 -2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.034 21.725 -2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.270 19.501 -2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.784 21.166 -3.116 1.00 0.00 H new ATOM 630 N ILE A 43 7.637 14.190 -3.596 1.00 0.00 N ATOM 631 CA ILE A 43 9.023 14.026 -3.194 1.00 0.00 C ATOM 632 C ILE A 43 9.824 15.257 -3.621 1.00 0.00 C ATOM 633 O ILE A 43 9.813 15.633 -4.793 1.00 0.00 O ATOM 634 CB ILE A 43 9.585 12.709 -3.734 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.869 11.510 -3.110 1.00 0.00 C ATOM 636 CG2 ILE A 43 11.101 12.638 -3.537 1.00 0.00 C ATOM 637 CD1 ILE A 43 9.009 10.267 -3.992 1.00 0.00 C ATOM 0 H ILE A 43 7.492 14.277 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 43 9.099 13.958 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 43 9.398 12.672 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.284 11.308 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.814 11.744 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.475 11.692 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.576 13.464 -4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.333 12.707 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.491 9.429 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.572 10.464 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.064 10.021 -4.109 1.00 0.00 H new ATOM 649 N GLN A 44 10.498 15.852 -2.648 1.00 0.00 N ATOM 650 CA GLN A 44 11.302 17.034 -2.910 1.00 0.00 C ATOM 651 C GLN A 44 12.785 16.728 -2.684 1.00 0.00 C ATOM 652 O GLN A 44 13.155 15.580 -2.443 1.00 0.00 O ATOM 653 CB GLN A 44 10.847 18.210 -2.043 1.00 0.00 C ATOM 654 CG GLN A 44 9.624 18.898 -2.652 1.00 0.00 C ATOM 655 CD GLN A 44 9.755 20.421 -2.571 1.00 0.00 C ATOM 656 OE1 GLN A 44 10.596 21.032 -3.210 1.00 0.00 O ATOM 657 NE2 GLN A 44 8.880 20.996 -1.752 1.00 0.00 N ATOM 0 H GLN A 44 10.504 15.538 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 44 11.164 17.319 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.608 17.856 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.660 18.928 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.512 18.594 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.724 18.578 -2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.202 20.425 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.886 22.008 -1.628 1.00 0.00 H new ATOM 666 N LYS A 45 13.592 17.775 -2.769 1.00 0.00 N ATOM 667 CA LYS A 45 15.025 17.633 -2.576 1.00 0.00 C ATOM 668 C LYS A 45 15.302 17.210 -1.132 1.00 0.00 C ATOM 669 O LYS A 45 16.329 16.596 -0.848 1.00 0.00 O ATOM 670 CB LYS A 45 15.751 18.914 -2.992 1.00 0.00 C ATOM 671 CG LYS A 45 15.663 19.975 -1.893 1.00 0.00 C ATOM 672 CD LYS A 45 14.995 21.250 -2.414 1.00 0.00 C ATOM 673 CE LYS A 45 14.623 22.184 -1.262 1.00 0.00 C ATOM 674 NZ LYS A 45 15.016 23.576 -1.576 1.00 0.00 N ATOM 0 H LYS A 45 13.281 18.726 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 45 15.420 16.847 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.797 18.691 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.314 19.301 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.097 19.583 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.663 20.208 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.669 21.763 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.100 20.991 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.550 22.135 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.118 21.858 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.756 24.197 -0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.044 23.621 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.524 23.890 -2.437 1.00 0.00 H new ATOM 688 N HIS A 46 14.368 17.555 -0.259 1.00 0.00 N ATOM 689 CA HIS A 46 14.498 17.219 1.149 1.00 0.00 C ATOM 690 C HIS A 46 14.159 15.741 1.357 1.00 0.00 C ATOM 691 O HIS A 46 14.737 15.084 2.222 1.00 0.00 O ATOM 692 CB HIS A 46 13.644 18.150 2.011 1.00 0.00 C ATOM 693 CG HIS A 46 12.163 17.871 1.936 1.00 0.00 C ATOM 694 ND1 HIS A 46 11.319 18.529 1.058 1.00 0.00 N ATOM 695 CD2 HIS A 46 11.383 16.998 2.637 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.090 18.065 1.231 1.00 0.00 C ATOM 697 NE2 HIS A 46 10.132 17.117 2.211 1.00 0.00 N ATOM 0 H HIS A 46 13.517 18.064 -0.499 1.00 0.00 H new ATOM 0 HA HIS A 46 15.529 17.368 1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.967 18.065 3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 46 13.825 19.180 1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.726 16.324 3.408 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.210 18.382 0.691 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.333 16.587 2.559 1.00 0.00 H new ATOM 705 N ASP A 47 13.225 15.262 0.549 1.00 0.00 N ATOM 706 CA ASP A 47 12.802 13.875 0.634 1.00 0.00 C ATOM 707 C ASP A 47 13.699 13.017 -0.261 1.00 0.00 C ATOM 708 O ASP A 47 13.206 12.256 -1.092 1.00 0.00 O ATOM 709 CB ASP A 47 11.358 13.709 0.155 1.00 0.00 C ATOM 710 CG ASP A 47 10.356 14.688 0.770 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.193 14.630 2.008 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.777 15.472 -0.012 1.00 0.00 O ATOM 0 H ASP A 47 12.749 15.810 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 47 12.874 13.564 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.335 13.822 -0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.032 12.693 0.376 1.00 0.00 H new ATOM 717 N ASP A 48 14.999 13.170 -0.062 1.00 0.00 N ATOM 718 CA ASP A 48 15.969 12.419 -0.840 1.00 0.00 C ATOM 719 C ASP A 48 16.372 11.161 -0.069 1.00 0.00 C ATOM 720 O ASP A 48 16.273 10.051 -0.590 1.00 0.00 O ATOM 721 CB ASP A 48 17.233 13.245 -1.090 1.00 0.00 C ATOM 722 CG ASP A 48 17.641 14.167 0.060 1.00 0.00 C ATOM 723 OD1 ASP A 48 17.171 13.907 1.189 1.00 0.00 O ATOM 724 OD2 ASP A 48 18.415 15.109 -0.215 1.00 0.00 O ATOM 0 H ASP A 48 15.404 13.803 0.627 1.00 0.00 H new ATOM 0 HA ASP A 48 15.510 12.164 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.058 12.564 -1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.083 13.849 -1.985 1.00 0.00 H new ATOM 729 N VAL A 49 16.818 11.376 1.160 1.00 0.00 N ATOM 730 CA VAL A 49 17.236 10.272 2.008 1.00 0.00 C ATOM 731 C VAL A 49 16.018 9.416 2.361 1.00 0.00 C ATOM 732 O VAL A 49 16.006 8.213 2.105 1.00 0.00 O ATOM 733 CB VAL A 49 17.968 10.808 3.240 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.557 9.664 4.068 1.00 0.00 C ATOM 735 CG2 VAL A 49 19.052 11.812 2.841 1.00 0.00 C ATOM 0 H VAL A 49 16.899 12.298 1.589 1.00 0.00 H new ATOM 0 HA VAL A 49 17.942 9.630 1.480 1.00 0.00 H new ATOM 0 HB VAL A 49 17.241 11.331 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.072 10.072 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.755 9.003 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.264 9.101 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.557 12.177 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.777 11.325 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.596 12.650 2.314 1.00 0.00 H new ATOM 745 N ALA A 50 15.024 10.070 2.942 1.00 0.00 N ATOM 746 CA ALA A 50 13.804 9.384 3.333 1.00 0.00 C ATOM 747 C ALA A 50 13.374 8.438 2.210 1.00 0.00 C ATOM 748 O ALA A 50 12.976 7.303 2.467 1.00 0.00 O ATOM 749 CB ALA A 50 12.725 10.414 3.672 1.00 0.00 C ATOM 0 H ALA A 50 15.038 11.068 3.152 1.00 0.00 H new ATOM 0 HA ALA A 50 13.972 8.782 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.810 9.899 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.067 11.042 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.528 11.035 2.798 1.00 0.00 H new ATOM 755 N VAL A 51 13.469 8.940 0.987 1.00 0.00 N ATOM 756 CA VAL A 51 13.095 8.154 -0.176 1.00 0.00 C ATOM 757 C VAL A 51 13.986 6.913 -0.255 1.00 0.00 C ATOM 758 O VAL A 51 13.496 5.805 -0.467 1.00 0.00 O ATOM 759 CB VAL A 51 13.163 9.019 -1.436 1.00 0.00 C ATOM 760 CG1 VAL A 51 13.390 8.159 -2.681 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.902 9.873 -1.583 1.00 0.00 C ATOM 0 H VAL A 51 13.800 9.882 0.777 1.00 0.00 H new ATOM 0 HA VAL A 51 12.064 7.810 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 51 14.014 9.692 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.434 8.799 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.329 7.614 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.569 7.450 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.976 10.478 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.029 9.224 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.802 10.526 -0.716 1.00 0.00 H new ATOM 771 N GLU A 52 15.280 7.140 -0.081 1.00 0.00 N ATOM 772 CA GLU A 52 16.244 6.053 -0.130 1.00 0.00 C ATOM 773 C GLU A 52 15.969 5.050 0.992 1.00 0.00 C ATOM 774 O GLU A 52 16.114 3.843 0.799 1.00 0.00 O ATOM 775 CB GLU A 52 17.675 6.587 -0.050 1.00 0.00 C ATOM 776 CG GLU A 52 18.275 6.345 1.337 1.00 0.00 C ATOM 777 CD GLU A 52 19.620 7.058 1.485 1.00 0.00 C ATOM 778 OE1 GLU A 52 20.055 7.663 0.482 1.00 0.00 O ATOM 779 OE2 GLU A 52 20.183 6.982 2.599 1.00 0.00 O ATOM 0 H GLU A 52 15.683 8.060 0.094 1.00 0.00 H new ATOM 0 HA GLU A 52 16.136 5.539 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.291 6.101 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.681 7.654 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.585 6.700 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.407 5.275 1.498 1.00 0.00 H new ATOM 786 N GLN A 53 15.579 5.585 2.139 1.00 0.00 N ATOM 787 CA GLN A 53 15.283 4.751 3.292 1.00 0.00 C ATOM 788 C GLN A 53 14.118 3.809 2.981 1.00 0.00 C ATOM 789 O GLN A 53 14.222 2.600 3.179 1.00 0.00 O ATOM 790 CB GLN A 53 14.983 5.606 4.525 1.00 0.00 C ATOM 791 CG GLN A 53 16.198 5.677 5.452 1.00 0.00 C ATOM 792 CD GLN A 53 15.774 5.585 6.919 1.00 0.00 C ATOM 793 OE1 GLN A 53 15.051 4.691 7.328 1.00 0.00 O ATOM 794 NE2 GLN A 53 16.263 6.556 7.685 1.00 0.00 N ATOM 0 H GLN A 53 15.461 6.586 2.295 1.00 0.00 H new ATOM 0 HA GLN A 53 16.163 4.148 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.699 6.611 4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.134 5.187 5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.887 4.866 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.735 6.610 5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.863 7.274 7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.038 6.583 8.680 1.00 0.00 H new ATOM 803 N PHE A 54 13.034 4.399 2.498 1.00 0.00 N ATOM 804 CA PHE A 54 11.851 3.628 2.158 1.00 0.00 C ATOM 805 C PHE A 54 12.139 2.660 1.009 1.00 0.00 C ATOM 806 O PHE A 54 12.087 1.444 1.189 1.00 0.00 O ATOM 807 CB PHE A 54 10.780 4.626 1.712 1.00 0.00 C ATOM 808 CG PHE A 54 9.375 4.027 1.609 1.00 0.00 C ATOM 809 CD1 PHE A 54 9.028 3.291 0.520 1.00 0.00 C ATOM 810 CD2 PHE A 54 8.475 4.231 2.608 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.724 2.735 0.425 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.172 3.675 2.513 1.00 0.00 C ATOM 813 CZ PHE A 54 6.824 2.939 1.424 1.00 0.00 C ATOM 0 H PHE A 54 12.951 5.402 2.334 1.00 0.00 H new ATOM 0 HA PHE A 54 11.528 3.042 3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.758 5.458 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.061 5.036 0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.743 3.129 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.751 4.816 3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.448 2.151 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.457 3.837 3.306 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.833 2.516 1.352 1.00 0.00 H new ATOM 823 N CYS A 55 12.437 3.235 -0.147 1.00 0.00 N ATOM 824 CA CYS A 55 12.733 2.438 -1.325 1.00 0.00 C ATOM 825 C CYS A 55 13.577 1.237 -0.893 1.00 0.00 C ATOM 826 O CYS A 55 13.499 0.169 -1.499 1.00 0.00 O ATOM 827 CB CYS A 55 13.431 3.266 -2.407 1.00 0.00 C ATOM 828 SG CYS A 55 12.226 4.380 -3.217 1.00 0.00 S ATOM 0 H CYS A 55 12.480 4.244 -0.293 1.00 0.00 H new ATOM 0 HA CYS A 55 11.803 2.086 -1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 55 14.239 3.850 -1.965 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.883 2.606 -3.147 1.00 0.00 H new ATOM 0 HG CYS A 55 11.869 5.312 -2.384 1.00 0.00 H new ATOM 834 N ALA A 56 14.363 1.452 0.151 1.00 0.00 N ATOM 835 CA ALA A 56 15.220 0.400 0.672 1.00 0.00 C ATOM 836 C ALA A 56 14.423 -0.463 1.652 1.00 0.00 C ATOM 837 O ALA A 56 14.205 -1.648 1.405 1.00 0.00 O ATOM 838 CB ALA A 56 16.459 1.024 1.318 1.00 0.00 C ATOM 0 H ALA A 56 14.425 2.339 0.651 1.00 0.00 H new ATOM 0 HA ALA A 56 15.564 -0.249 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.102 0.235 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.006 1.602 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.153 1.680 2.133 1.00 0.00 H new ATOM 844 N GLU A 57 14.010 0.165 2.743 1.00 0.00 N ATOM 845 CA GLU A 57 13.241 -0.530 3.761 1.00 0.00 C ATOM 846 C GLU A 57 12.147 -1.380 3.112 1.00 0.00 C ATOM 847 O GLU A 57 12.192 -2.608 3.174 1.00 0.00 O ATOM 848 CB GLU A 57 12.645 0.456 4.768 1.00 0.00 C ATOM 849 CG GLU A 57 13.448 0.462 6.070 1.00 0.00 C ATOM 850 CD GLU A 57 13.369 -0.896 6.770 1.00 0.00 C ATOM 851 OE1 GLU A 57 12.256 -1.234 7.228 1.00 0.00 O ATOM 852 OE2 GLU A 57 14.422 -1.565 6.831 1.00 0.00 O ATOM 0 H GLU A 57 14.194 1.148 2.944 1.00 0.00 H new ATOM 0 HA GLU A 57 13.913 -1.193 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.634 1.458 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.609 0.187 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.489 0.706 5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.067 1.239 6.733 1.00 0.00 H new ATOM 859 N THR A 58 11.190 -0.693 2.506 1.00 0.00 N ATOM 860 CA THR A 58 10.086 -1.370 1.846 1.00 0.00 C ATOM 861 C THR A 58 10.599 -2.211 0.676 1.00 0.00 C ATOM 862 O THR A 58 10.266 -3.389 0.560 1.00 0.00 O ATOM 863 CB THR A 58 9.063 -0.311 1.431 1.00 0.00 C ATOM 864 OG1 THR A 58 9.817 0.897 1.375 1.00 0.00 O ATOM 865 CG2 THR A 58 8.019 -0.049 2.518 1.00 0.00 C ATOM 0 H THR A 58 11.156 0.325 2.458 1.00 0.00 H new ATOM 0 HA THR A 58 9.594 -2.072 2.518 1.00 0.00 H new ATOM 0 HB THR A 58 8.563 -0.628 0.516 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.231 1.637 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.317 0.710 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.479 -0.971 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.516 0.301 3.423 1.00 0.00 H new ATOM 873 N GLY A 59 11.402 -1.573 -0.163 1.00 0.00 N ATOM 874 CA GLY A 59 11.964 -2.247 -1.321 1.00 0.00 C ATOM 875 C GLY A 59 11.393 -1.676 -2.620 1.00 0.00 C ATOM 876 O GLY A 59 11.519 -2.287 -3.679 1.00 0.00 O ATOM 0 H GLY A 59 11.677 -0.596 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.049 -2.139 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.750 -3.314 -1.264 1.00 0.00 H new ATOM 880 N VAL A 60 10.778 -0.509 -2.495 1.00 0.00 N ATOM 881 CA VAL A 60 10.187 0.152 -3.646 1.00 0.00 C ATOM 882 C VAL A 60 11.239 1.040 -4.315 1.00 0.00 C ATOM 883 O VAL A 60 12.251 1.377 -3.703 1.00 0.00 O ATOM 884 CB VAL A 60 8.936 0.925 -3.221 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.457 0.474 -1.839 1.00 0.00 C ATOM 886 CG2 VAL A 60 9.188 2.434 -3.249 1.00 0.00 C ATOM 0 H VAL A 60 10.676 -0.004 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 60 9.864 -0.583 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 60 8.145 0.705 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.567 1.038 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.219 -0.589 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.244 0.651 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.284 2.960 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.000 2.680 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.460 2.739 -4.259 1.00 0.00 H new ATOM 896 N ARG A 61 10.963 1.392 -5.562 1.00 0.00 N ATOM 897 CA ARG A 61 11.873 2.233 -6.320 1.00 0.00 C ATOM 898 C ARG A 61 11.368 3.677 -6.341 1.00 0.00 C ATOM 899 O ARG A 61 10.177 3.920 -6.528 1.00 0.00 O ATOM 900 CB ARG A 61 12.019 1.731 -7.758 1.00 0.00 C ATOM 901 CG ARG A 61 12.218 0.214 -7.791 1.00 0.00 C ATOM 902 CD ARG A 61 13.625 -0.143 -8.275 1.00 0.00 C ATOM 903 NE ARG A 61 13.800 -1.613 -8.281 1.00 0.00 N ATOM 904 CZ ARG A 61 14.027 -2.347 -7.183 1.00 0.00 C ATOM 905 NH1 ARG A 61 14.107 -1.753 -5.985 1.00 0.00 N ATOM 906 NH2 ARG A 61 14.173 -3.675 -7.284 1.00 0.00 N ATOM 0 H ARG A 61 10.122 1.110 -6.066 1.00 0.00 H new ATOM 0 HA ARG A 61 12.847 2.191 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.132 1.998 -8.332 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.867 2.223 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.056 -0.200 -6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.477 -0.240 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.786 0.255 -9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.370 0.318 -7.626 1.00 0.00 H new ATOM 0 HE ARG A 61 13.744 -2.097 -9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.995 -0.742 -5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.280 -2.312 -5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.111 -4.127 -8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.346 -4.234 -6.449 1.00 0.00 H new ATOM 920 N ARG A 62 12.300 4.599 -6.144 1.00 0.00 N ATOM 921 CA ARG A 62 11.964 6.013 -6.138 1.00 0.00 C ATOM 922 C ARG A 62 10.872 6.304 -7.168 1.00 0.00 C ATOM 923 O ARG A 62 9.795 6.785 -6.818 1.00 0.00 O ATOM 924 CB ARG A 62 13.192 6.872 -6.450 1.00 0.00 C ATOM 925 CG ARG A 62 12.908 8.351 -6.181 1.00 0.00 C ATOM 926 CD ARG A 62 12.370 9.043 -7.436 1.00 0.00 C ATOM 927 NE ARG A 62 13.297 10.116 -7.858 1.00 0.00 N ATOM 928 CZ ARG A 62 14.339 9.929 -8.680 1.00 0.00 C ATOM 929 NH1 ARG A 62 14.593 8.709 -9.173 1.00 0.00 N ATOM 930 NH2 ARG A 62 15.126 10.962 -9.009 1.00 0.00 N ATOM 0 H ARG A 62 13.287 4.394 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 62 11.603 6.264 -5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.035 6.543 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.480 6.737 -7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.184 8.445 -5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.821 8.846 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.252 8.316 -8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.383 9.461 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 62 13.133 11.057 -7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.993 7.923 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.386 8.567 -9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.932 11.891 -8.634 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.919 10.820 -9.635 1.00 0.00 H new ATOM 944 N GLN A 63 11.186 5.999 -8.419 1.00 0.00 N ATOM 945 CA GLN A 63 10.244 6.222 -9.503 1.00 0.00 C ATOM 946 C GLN A 63 8.918 5.518 -9.207 1.00 0.00 C ATOM 947 O GLN A 63 7.848 6.084 -9.427 1.00 0.00 O ATOM 948 CB GLN A 63 10.826 5.756 -10.839 1.00 0.00 C ATOM 949 CG GLN A 63 10.545 4.270 -11.071 1.00 0.00 C ATOM 950 CD GLN A 63 11.144 3.800 -12.398 1.00 0.00 C ATOM 951 OE1 GLN A 63 12.056 4.400 -12.945 1.00 0.00 O ATOM 952 NE2 GLN A 63 10.584 2.696 -12.884 1.00 0.00 N ATOM 0 H GLN A 63 12.080 5.599 -8.706 1.00 0.00 H new ATOM 0 HA GLN A 63 10.055 7.293 -9.580 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.396 6.342 -11.651 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.901 5.933 -10.853 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.963 3.685 -10.252 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.469 4.095 -11.071 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.824 2.243 -12.376 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.914 2.302 -13.765 1.00 0.00 H new ATOM 961 N VAL A 64 9.032 4.294 -8.713 1.00 0.00 N ATOM 962 CA VAL A 64 7.856 3.507 -8.385 1.00 0.00 C ATOM 963 C VAL A 64 7.055 4.224 -7.296 1.00 0.00 C ATOM 964 O VAL A 64 5.839 4.370 -7.409 1.00 0.00 O ATOM 965 CB VAL A 64 8.269 2.088 -7.988 1.00 0.00 C ATOM 966 CG1 VAL A 64 7.059 1.273 -7.529 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.999 1.388 -9.136 1.00 0.00 C ATOM 0 H VAL A 64 9.921 3.828 -8.532 1.00 0.00 H new ATOM 0 HA VAL A 64 7.207 3.410 -9.255 1.00 0.00 H new ATOM 0 HB VAL A 64 8.960 2.163 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.380 0.269 -7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.600 1.757 -6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.333 1.211 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.281 0.381 -8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.342 1.331 -10.004 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.894 1.953 -9.396 1.00 0.00 H new ATOM 977 N LEU A 65 7.770 4.652 -6.266 1.00 0.00 N ATOM 978 CA LEU A 65 7.142 5.350 -5.157 1.00 0.00 C ATOM 979 C LEU A 65 6.464 6.619 -5.678 1.00 0.00 C ATOM 980 O LEU A 65 5.268 6.818 -5.470 1.00 0.00 O ATOM 981 CB LEU A 65 8.158 5.609 -4.043 1.00 0.00 C ATOM 982 CG LEU A 65 7.696 6.537 -2.917 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.418 6.010 -2.261 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.814 6.759 -1.897 1.00 0.00 C ATOM 0 H LEU A 65 8.779 4.529 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 65 6.363 4.732 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.440 4.651 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.058 6.032 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 65 7.458 7.508 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.112 6.688 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.626 5.945 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.605 5.021 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.460 7.422 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.106 5.803 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.674 7.211 -2.392 1.00 0.00 H new ATOM 996 N LYS A 66 7.257 7.445 -6.345 1.00 0.00 N ATOM 997 CA LYS A 66 6.748 8.689 -6.897 1.00 0.00 C ATOM 998 C LYS A 66 5.523 8.393 -7.764 1.00 0.00 C ATOM 999 O LYS A 66 4.459 8.976 -7.561 1.00 0.00 O ATOM 1000 CB LYS A 66 7.857 9.440 -7.635 1.00 0.00 C ATOM 1001 CG LYS A 66 7.436 10.880 -7.938 1.00 0.00 C ATOM 1002 CD LYS A 66 8.659 11.778 -8.139 1.00 0.00 C ATOM 1003 CE LYS A 66 9.055 11.842 -9.616 1.00 0.00 C ATOM 1004 NZ LYS A 66 8.124 12.716 -10.365 1.00 0.00 N ATOM 0 H LYS A 66 8.248 7.277 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 66 6.420 9.355 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.764 9.442 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.095 8.923 -8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.814 10.900 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.828 11.265 -7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.442 12.782 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.494 11.398 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.073 12.220 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.047 10.840 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.531 12.940 -11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.216 12.226 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.970 13.596 -9.833 1.00 0.00 H new ATOM 1018 N ILE A 67 5.713 7.488 -8.712 1.00 0.00 N ATOM 1019 CA ILE A 67 4.636 7.108 -9.611 1.00 0.00 C ATOM 1020 C ILE A 67 3.478 6.529 -8.797 1.00 0.00 C ATOM 1021 O ILE A 67 2.313 6.774 -9.106 1.00 0.00 O ATOM 1022 CB ILE A 67 5.154 6.166 -10.700 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.300 6.810 -11.482 1.00 0.00 C ATOM 1024 CG2 ILE A 67 4.017 5.711 -11.618 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.244 5.746 -12.047 1.00 0.00 C ATOM 0 H ILE A 67 6.597 7.006 -8.878 1.00 0.00 H new ATOM 0 HA ILE A 67 4.251 7.983 -10.135 1.00 0.00 H new ATOM 0 HB ILE A 67 5.555 5.274 -10.218 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.896 7.412 -12.296 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.855 7.485 -10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.412 5.043 -12.383 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.264 5.186 -11.031 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.564 6.580 -12.095 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.050 6.230 -12.598 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.665 5.161 -11.229 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.691 5.087 -12.717 1.00 0.00 H new ATOM 1037 N TRP A 68 3.838 5.771 -7.771 1.00 0.00 N ATOM 1038 CA TRP A 68 2.844 5.155 -6.910 1.00 0.00 C ATOM 1039 C TRP A 68 1.957 6.265 -6.342 1.00 0.00 C ATOM 1040 O TRP A 68 0.732 6.188 -6.423 1.00 0.00 O ATOM 1041 CB TRP A 68 3.509 4.307 -5.823 1.00 0.00 C ATOM 1042 CG TRP A 68 2.522 3.649 -4.857 1.00 0.00 C ATOM 1043 CD1 TRP A 68 2.019 2.408 -4.910 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.936 4.251 -3.684 1.00 0.00 C ATOM 1045 NE1 TRP A 68 1.156 2.167 -3.861 1.00 0.00 N ATOM 1046 CE2 TRP A 68 1.104 3.323 -3.091 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.105 5.537 -3.140 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.373 3.583 -1.926 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.368 5.780 -1.975 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.525 4.857 -1.367 1.00 0.00 C ATOM 0 H TRP A 68 4.805 5.570 -7.517 1.00 0.00 H new ATOM 0 HA TRP A 68 2.219 4.465 -7.476 1.00 0.00 H new ATOM 0 HB2 TRP A 68 4.109 3.531 -6.298 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.194 4.936 -5.254 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.259 1.687 -5.678 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.649 1.300 -3.683 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.752 6.278 -3.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.274 2.840 -1.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.461 6.753 -1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.010 5.122 -0.467 1.00 0.00 H new ATOM 1061 N MET A 69 2.610 7.272 -5.781 1.00 0.00 N ATOM 1062 CA MET A 69 1.896 8.396 -5.200 1.00 0.00 C ATOM 1063 C MET A 69 0.904 8.992 -6.201 1.00 0.00 C ATOM 1064 O MET A 69 -0.261 9.208 -5.872 1.00 0.00 O ATOM 1065 CB MET A 69 2.898 9.471 -4.772 1.00 0.00 C ATOM 1066 CG MET A 69 3.590 9.086 -3.464 1.00 0.00 C ATOM 1067 SD MET A 69 5.352 8.956 -3.721 1.00 0.00 S ATOM 1068 CE MET A 69 5.915 10.302 -2.691 1.00 0.00 C ATOM 0 H MET A 69 3.626 7.333 -5.716 1.00 0.00 H new ATOM 0 HA MET A 69 1.339 8.040 -4.333 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.644 9.610 -5.555 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.384 10.424 -4.649 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.380 9.833 -2.698 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.196 8.137 -3.100 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.799 9.990 -2.135 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.164 11.159 -3.316 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.126 10.580 -1.992 1.00 0.00 H new ATOM 1078 N HIS A 70 1.403 9.241 -7.403 1.00 0.00 N ATOM 1079 CA HIS A 70 0.575 9.807 -8.454 1.00 0.00 C ATOM 1080 C HIS A 70 -0.547 8.829 -8.807 1.00 0.00 C ATOM 1081 O HIS A 70 -1.592 9.233 -9.315 1.00 0.00 O ATOM 1082 CB HIS A 70 1.425 10.196 -9.665 1.00 0.00 C ATOM 1083 CG HIS A 70 0.623 10.697 -10.843 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -0.037 11.913 -10.838 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.383 10.134 -12.062 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.644 12.065 -12.005 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -0.383 10.961 -12.763 1.00 0.00 N ATOM 0 H HIS A 70 2.370 9.061 -7.672 1.00 0.00 H new ATOM 0 HA HIS A 70 0.110 10.727 -8.099 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.133 10.969 -9.366 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.010 9.331 -9.978 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.753 9.177 -12.400 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.241 12.914 -12.304 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.721 10.798 -13.712 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.293 7.560 -8.523 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.269 6.520 -8.803 1.00 0.00 C ATOM 1097 C ASN A 71 -2.142 6.298 -7.567 1.00 0.00 C ATOM 1098 O ASN A 71 -2.556 5.174 -7.288 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.581 5.196 -9.140 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.321 5.080 -10.644 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -1.082 4.485 -11.388 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.795 5.682 -11.047 1.00 0.00 N ATOM 0 H ASN A 71 0.575 7.228 -8.102 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.869 6.842 -9.654 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.362 5.124 -8.598 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.203 4.364 -8.810 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.058 5.662 -12.032 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.388 6.163 -10.371 1.00 0.00 H new ATOM 1109 N ASN A 72 -2.396 7.389 -6.857 1.00 0.00 N ATOM 1110 CA ASN A 72 -3.212 7.327 -5.657 1.00 0.00 C ATOM 1111 C ASN A 72 -3.883 8.683 -5.432 1.00 0.00 C ATOM 1112 O ASN A 72 -5.110 8.774 -5.392 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.359 7.012 -4.426 1.00 0.00 C ATOM 1114 CG ASN A 72 -2.010 5.524 -4.367 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -2.846 4.673 -4.111 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.731 5.258 -4.618 1.00 0.00 N ATOM 0 H ASN A 72 -2.051 8.320 -7.091 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.953 6.539 -5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.444 7.603 -4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.898 7.299 -3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.398 4.294 -4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.083 6.018 -4.825 1.00 0.00 H new ATOM 1123 N LYS A 73 -3.051 9.704 -5.291 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.549 11.051 -5.071 1.00 0.00 C ATOM 1125 C LYS A 73 -4.776 11.287 -5.953 1.00 0.00 C ATOM 1126 O LYS A 73 -5.712 11.975 -5.550 1.00 0.00 O ATOM 1127 CB LYS A 73 -2.433 12.076 -5.284 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.961 12.080 -6.740 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.935 13.188 -6.981 1.00 0.00 C ATOM 1130 CE LYS A 73 0.380 12.884 -6.262 1.00 0.00 C ATOM 1131 NZ LYS A 73 1.482 13.692 -6.832 1.00 0.00 N ATOM 0 H LYS A 73 -2.035 9.626 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.871 11.174 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.790 13.069 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.594 11.847 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.522 11.113 -6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.815 12.220 -7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.753 13.293 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.334 14.140 -6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.277 13.098 -5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.614 11.823 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.265 13.742 -6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.817 13.250 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.139 14.652 -7.036 1.00 0.00 H new ATOM 1145 N ASN A 74 -4.733 10.702 -7.141 1.00 0.00 N ATOM 1146 CA ASN A 74 -5.830 10.839 -8.084 1.00 0.00 C ATOM 1147 C ASN A 74 -6.436 9.461 -8.360 1.00 0.00 C ATOM 1148 O ASN A 74 -7.611 9.229 -8.082 1.00 0.00 O ATOM 1149 CB ASN A 74 -5.344 11.417 -9.415 1.00 0.00 C ATOM 1150 CG ASN A 74 -4.490 12.667 -9.191 1.00 0.00 C ATOM 1151 OD1 ASN A 74 -4.787 13.513 -8.364 1.00 0.00 O ATOM 1152 ND2 ASN A 74 -3.416 12.734 -9.971 1.00 0.00 N ATOM 0 H ASN A 74 -3.955 10.132 -7.472 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.568 11.512 -7.647 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.763 10.667 -9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.200 11.665 -10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.781 13.529 -9.898 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.226 11.990 -10.643 1.00 0.00 H new ATOM 1159 N SER A 75 -5.605 8.583 -8.903 1.00 0.00 N ATOM 1160 CA SER A 75 -6.044 7.235 -9.219 1.00 0.00 C ATOM 1161 C SER A 75 -4.968 6.512 -10.032 1.00 0.00 C ATOM 1162 O SER A 75 -4.271 5.643 -9.511 1.00 0.00 O ATOM 1163 CB SER A 75 -7.367 7.252 -9.986 1.00 0.00 C ATOM 1164 OG SER A 75 -8.378 6.497 -9.324 1.00 0.00 O ATOM 0 H SER A 75 -4.631 8.779 -9.132 1.00 0.00 H new ATOM 0 HA SER A 75 -6.205 6.699 -8.283 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.703 8.282 -10.105 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.211 6.850 -10.987 1.00 0.00 H new ATOM 0 HG SER A 75 -9.208 6.534 -9.844 1.00 0.00 H new ATOM 1170 N GLY A 76 -4.868 6.897 -11.296 1.00 0.00 N ATOM 1171 CA GLY A 76 -3.889 6.297 -12.186 1.00 0.00 C ATOM 1172 C GLY A 76 -3.172 7.365 -13.013 1.00 0.00 C ATOM 1173 O GLY A 76 -2.967 8.484 -12.545 1.00 0.00 O ATOM 0 H GLY A 76 -5.449 7.617 -11.725 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.160 5.733 -11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.383 5.588 -12.851 1.00 0.00 H new ATOM 1177 N PRO A 77 -2.800 6.973 -14.261 1.00 0.00 N ATOM 1178 CA PRO A 77 -2.110 7.884 -15.158 1.00 0.00 C ATOM 1179 C PRO A 77 -3.075 8.922 -15.734 1.00 0.00 C ATOM 1180 O PRO A 77 -3.408 8.876 -16.917 1.00 0.00 O ATOM 1181 CB PRO A 77 -1.489 6.994 -16.222 1.00 0.00 C ATOM 1182 CG PRO A 77 -2.237 5.673 -16.148 1.00 0.00 C ATOM 1183 CD PRO A 77 -3.026 5.656 -14.849 1.00 0.00 C ATOM 0 HA PRO A 77 -1.343 8.472 -14.653 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.585 7.442 -17.211 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.424 6.851 -16.039 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.906 5.565 -17.002 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.539 4.837 -16.181 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.086 5.481 -15.032 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.681 4.862 -14.187 1.00 0.00 H new ATOM 1191 N SER A 78 -3.496 9.835 -14.871 1.00 0.00 N ATOM 1192 CA SER A 78 -4.416 10.883 -15.279 1.00 0.00 C ATOM 1193 C SER A 78 -3.790 12.256 -15.029 1.00 0.00 C ATOM 1194 O SER A 78 -3.839 12.770 -13.913 1.00 0.00 O ATOM 1195 CB SER A 78 -5.749 10.765 -14.538 1.00 0.00 C ATOM 1196 OG SER A 78 -6.645 11.820 -14.879 1.00 0.00 O ATOM 0 H SER A 78 -3.217 9.871 -13.891 1.00 0.00 H new ATOM 0 HA SER A 78 -4.612 10.769 -16.345 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.211 9.806 -14.774 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.568 10.776 -13.463 1.00 0.00 H new ATOM 0 HG SER A 78 -7.485 11.708 -14.386 1.00 0.00 H new ATOM 1202 N SER A 79 -3.215 12.811 -16.086 1.00 0.00 N ATOM 1203 CA SER A 79 -2.580 14.114 -15.995 1.00 0.00 C ATOM 1204 C SER A 79 -3.510 15.101 -15.287 1.00 0.00 C ATOM 1205 O SER A 79 -4.731 14.964 -15.350 1.00 0.00 O ATOM 1206 CB SER A 79 -2.203 14.641 -17.381 1.00 0.00 C ATOM 1207 OG SER A 79 -0.798 14.831 -17.517 1.00 0.00 O ATOM 0 H SER A 79 -3.176 12.381 -17.010 1.00 0.00 H new ATOM 0 HA SER A 79 -1.663 14.008 -15.415 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.549 13.941 -18.141 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.715 15.586 -17.561 1.00 0.00 H new ATOM 0 HG SER A 79 -0.599 15.166 -18.416 1.00 0.00 H new ATOM 1213 N GLY A 80 -2.897 16.073 -14.627 1.00 0.00 N ATOM 1214 CA GLY A 80 -3.655 17.083 -13.907 1.00 0.00 C ATOM 1215 C GLY A 80 -2.929 17.505 -12.629 1.00 0.00 C ATOM 1216 O GLY A 80 -1.763 17.895 -12.672 1.00 0.00 O ATOM 0 H GLY A 80 -1.884 16.183 -14.576 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.808 17.952 -14.546 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.642 16.693 -13.657 1.00 0.00 H new TER 1220 GLY A 80