USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 552 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 26 ASN A: amide:sc= 0.555 K(o=-3.3,f=-15!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -1.63 K(o=-3.3,f=-14!) USER MOD Set 1.3: A 29 THR OG1A: rot 180:sc= 0 USER MOD Set 1.4: A 29 THR OG1B: rot 180:sc= -2.22 USER MOD Set 2.1: A 16 SER OG A: rot 82:sc= -0.162 USER MOD Set 2.2: A 16 SER OG B: rot -150:sc= 0.714 USER MOD Set 2.3: A 19 SER OG B: rot 180:sc= -0.584 USER MOD Single : A 5 SER OG A: rot 180:sc= 0 USER MOD Single : A 5 SER OG B: rot -38:sc= 0.247 USER MOD Single : A 6 LYS NZ A:NH3+ 177:sc= 0 (180deg=-0.00653) USER MOD Single : A 6 LYS NZ B:NH3+ -162:sc= -0.112 (180deg=-0.538) USER MOD Single : A 13 LYS NZ A:NH3+ -133:sc= 0 (180deg=-0.0786) USER MOD Single : A 13 LYS NZ B:NH3+ -159:sc= -0.513 (180deg=-1.33) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE B:methyl -115:sc= 0 (180deg=-0.231) USER MOD Single : A 18 ASN A: amide:sc= -0.26 K(o=-0.26,f=-2!) USER MOD Single : A 18 ASN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG A: rot 180:sc= -0.159 USER MOD Single : A 23 TYR OH A: rot -113:sc= 1.21 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS A: no HE2:sc= -2.93 K(o=-2.9,f=-1.6) USER MOD Single : A 27 HIS B: no HE2:sc= -1.73 K(o=-1.7,f=-2.4) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.553 K(o=0.55,f=-0.039) USER MOD Single : A 32 SER OG A: rot -36:sc= 0.0243 USER MOD Single : A 32 SER OG B: rot 18:sc= 0.797 USER MOD Single : A 33 GLN A: amide:sc= 0.161 X(o=0.16,f=-0.33) USER MOD Single : A 33 GLN B: amide:sc= 1.01 K(o=1,f=-0.014) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0159 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -11.394 -4.419 -3.697 0.20 0.00 N ATOM 2 N BSER A 5 -12.268 -4.970 -3.593 0.80 0.00 N ATOM 3 CA ASER A 5 -12.541 -4.651 -4.565 0.20 0.00 C ATOM 4 CA BSER A 5 -13.533 -5.014 -4.320 0.80 0.00 C ATOM 5 C ASER A 5 -13.847 -4.400 -3.817 0.20 0.00 C ATOM 6 C BSER A 5 -14.684 -4.548 -3.434 0.80 0.00 C ATOM 7 O ASER A 5 -14.798 -3.850 -4.373 0.20 0.00 O ATOM 8 O BSER A 5 -15.275 -3.493 -3.667 0.80 0.00 O ATOM 9 CB ASER A 5 -12.517 -6.083 -5.104 0.20 0.00 C ATOM 10 CB BSER A 5 -13.804 -6.431 -4.826 0.80 0.00 C ATOM 11 OG ASER A 5 -13.605 -6.315 -5.981 0.20 0.00 O ATOM 12 OG BSER A 5 -13.681 -7.379 -3.781 0.80 0.00 O ATOM 0 HA ASER A 5 -12.481 -3.954 -5.401 0.20 0.00 H new ATOM 0 HA BSER A 5 -13.459 -4.340 -5.173 0.80 0.00 H new ATOM 0 HB2ASER A 5 -11.578 -6.262 -5.628 0.20 0.00 H new ATOM 0 HB2BSER A 5 -14.806 -6.483 -5.252 0.80 0.00 H new ATOM 0 HB3ASER A 5 -12.558 -6.788 -4.274 0.20 0.00 H new ATOM 0 HB3BSER A 5 -13.105 -6.675 -5.626 0.80 0.00 H new ATOM 0 HG ASER A 5 -13.567 -7.236 -6.313 0.20 0.00 H new ATOM 0 HG BSER A 5 -12.939 -7.124 -3.194 0.80 0.00 H new ATOM 23 N ALYS A 6 -13.886 -4.805 -2.552 0.20 0.00 N ATOM 24 N BLYS A 6 -14.997 -5.343 -2.416 0.80 0.00 N ATOM 25 CA ALYS A 6 -15.072 -4.625 -1.725 0.20 0.00 C ATOM 26 CA BLYS A 6 -16.079 -5.014 -1.493 0.80 0.00 C ATOM 27 C ALYS A 6 -14.779 -3.701 -0.547 0.20 0.00 C ATOM 28 C BLYS A 6 -15.590 -4.074 -0.396 0.80 0.00 C ATOM 29 O ALYS A 6 -14.189 -4.118 0.450 0.20 0.00 O ATOM 30 O BLYS A 6 -15.627 -4.412 0.787 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.574 -5.977 -1.214 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.649 -6.289 -0.870 0.80 0.00 C ATOM 33 CG ALYS A 6 -15.850 -6.980 -2.320 0.20 0.00 C ATOM 34 CG BLYS A 6 -15.604 -7.151 -0.183 0.80 0.00 C ATOM 35 CD ALYS A 6 -15.947 -8.397 -1.777 0.20 0.00 C ATOM 36 CD BLYS A 6 -15.701 -8.602 -0.622 0.80 0.00 C ATOM 37 CE ALYS A 6 -17.181 -8.575 -0.906 0.20 0.00 C ATOM 38 CE BLYS A 6 -16.965 -9.262 -0.096 0.80 0.00 C ATOM 39 NZ ALYS A 6 -18.425 -8.680 -1.719 0.20 0.00 N ATOM 40 NZ BLYS A 6 -17.055 -9.182 1.389 0.80 0.00 N ATOM 0 H ALYS A 6 -13.107 -5.261 -2.077 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.518 -6.219 -2.209 0.80 0.00 H new ATOM 0 HA ALYS A 6 -15.846 -4.166 -2.340 0.20 0.00 H new ATOM 0 HA BLYS A 6 -16.864 -4.510 -2.056 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -14.834 -6.396 -0.532 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -17.417 -6.017 -0.146 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -16.487 -5.822 -0.639 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -17.138 -6.876 -1.648 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -16.780 -6.719 -2.826 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -14.609 -6.767 -0.409 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -15.056 -6.929 -3.065 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -15.732 -7.088 0.898 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -15.980 -9.104 -2.606 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -15.688 -8.655 -1.711 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -15.054 -8.628 -1.196 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -14.829 -9.150 -0.266 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -17.069 -9.472 -0.297 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -17.837 -8.782 -0.539 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -17.266 -7.732 -0.220 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -16.985 -10.307 -0.405 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -19.236 -8.851 -1.091 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -17.741 -9.883 1.733 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -18.573 -7.794 -2.243 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -16.122 -9.378 1.804 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -18.335 -9.468 -2.391 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -17.365 -8.229 1.667 0.80 0.00 H new ATOM 67 N ALEU A 7 -15.196 -2.447 -0.668 0.20 0.00 N ATOM 68 N BLEU A 7 -15.132 -2.892 -0.796 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.981 -1.463 0.389 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.637 -1.902 0.153 0.80 0.00 C ATOM 71 C ALEU A 7 -16.261 -0.689 0.682 0.20 0.00 C ATOM 72 C BLEU A 7 -15.792 -1.156 0.813 0.80 0.00 C ATOM 73 O ALEU A 7 -17.140 -0.548 -0.168 0.20 0.00 O ATOM 74 O BLEU A 7 -16.891 -1.054 0.266 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.866 -0.494 -0.010 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.709 -0.911 -0.551 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.947 -0.958 -1.141 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.210 -1.198 -0.438 0.80 0.00 C ATOM 79 CD1ALEU A 7 -12.048 0.182 -1.597 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.911 -2.634 -0.838 0.80 0.00 C ATOM 81 CD2ALEU A 7 -12.116 -2.152 -0.700 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.417 -0.226 -1.298 0.80 0.00 C ATOM 0 H ALEU A 7 -15.685 -2.086 -1.487 0.20 0.00 H new ATOM 0 H BLEU A 7 -15.094 -2.597 -1.772 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.686 -1.996 1.293 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.077 -2.425 0.928 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.322 0.452 -0.304 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.975 -0.883 -1.608 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.254 -0.294 0.869 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.900 0.084 -0.148 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.566 -1.266 -1.983 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.909 -1.062 0.601 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.400 -0.165 -2.402 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.841 -2.820 -0.752 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.662 1.008 -1.956 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.452 -3.315 -0.181 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.437 0.520 -0.760 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.226 -2.798 -1.869 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.469 -2.467 -1.519 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.353 -0.444 -1.206 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.505 -1.873 0.159 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.720 -0.331 -2.340 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.777 -2.973 -0.423 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.609 0.794 -0.965 0.80 0.00 H new ATOM 105 N APRO A 8 -16.372 -0.174 1.917 0.20 0.00 N ATOM 106 N BPRO A 8 -15.538 -0.616 2.016 0.80 0.00 N ATOM 107 CA APRO A 8 -17.540 0.597 2.350 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.544 0.134 2.773 0.80 0.00 C ATOM 109 C APRO A 8 -17.624 1.958 1.667 0.20 0.00 C ATOM 110 C BPRO A 8 -16.871 1.477 2.130 0.80 0.00 C ATOM 111 O APRO A 8 -16.693 2.399 0.992 0.20 0.00 O ATOM 112 O BPRO A 8 -16.186 1.940 1.219 0.80 0.00 O ATOM 113 CB APRO A 8 -17.315 0.766 3.854 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.878 0.340 4.135 0.80 0.00 C ATOM 115 CG APRO A 8 -15.839 0.664 4.030 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.416 0.279 3.857 0.80 0.00 C ATOM 117 CD APRO A 8 -15.363 -0.303 2.983 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.251 -0.698 2.725 0.80 0.00 C ATOM 0 HA APRO A 8 -18.475 0.096 2.098 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.496 -0.395 2.824 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.690 1.727 4.205 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.158 1.299 4.571 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.836 -0.005 4.421 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.179 -0.432 4.843 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.363 1.637 3.908 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -14.029 1.261 3.585 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.589 0.310 5.030 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.864 -0.048 4.738 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.365 -0.049 2.625 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.417 -0.426 2.078 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.314 -1.321 3.369 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.056 -1.707 3.089 0.80 0.00 H new ATOM 133 N APRO A 9 -18.762 2.642 1.845 0.20 0.00 N ATOM 134 N BPRO A 9 -17.943 2.122 2.617 0.80 0.00 N ATOM 135 CA APRO A 9 -18.995 3.964 1.256 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.384 3.422 2.105 0.80 0.00 C ATOM 137 C APRO A 9 -18.130 5.045 1.897 0.20 0.00 C ATOM 138 C BPRO A 9 -17.422 4.547 2.471 0.80 0.00 C ATOM 139 O APRO A 9 -18.427 5.520 2.994 0.20 0.00 O ATOM 140 O BPRO A 9 -16.969 4.644 3.611 0.80 0.00 O ATOM 141 CB APRO A 9 -20.475 4.226 1.539 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.736 3.632 2.791 0.80 0.00 C ATOM 143 CG APRO A 9 -20.782 3.402 2.741 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.660 2.821 4.037 0.80 0.00 C ATOM 145 CD APRO A 9 -19.915 2.179 2.639 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.805 1.630 3.704 0.80 0.00 C ATOM 0 HA APRO A 9 -18.741 3.987 0.196 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.435 3.435 1.016 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.661 5.284 1.726 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.907 4.685 3.014 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.097 3.938 0.692 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.558 3.304 2.155 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.571 3.954 3.657 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.224 3.398 4.852 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.837 3.131 2.769 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.653 2.510 4.361 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.608 1.821 3.622 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.220 1.302 4.563 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.436 1.357 2.149 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.407 0.779 3.385 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.061 5.429 1.207 0.20 0.00 N ATOM 162 N BGLY A 10 -17.111 5.394 1.495 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.171 6.451 1.728 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.202 6.501 1.735 0.80 0.00 C ATOM 165 C AGLY A 10 -14.720 6.190 1.376 0.20 0.00 C ATOM 166 C BGLY A 10 -14.749 6.098 1.595 0.80 0.00 C ATOM 167 O AGLY A 10 -13.923 7.120 1.271 0.20 0.00 O ATOM 168 O BGLY A 10 -13.898 6.541 2.368 0.80 0.00 O ATOM 0 H AGLY A 10 -16.795 5.052 0.298 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.472 5.334 0.543 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.468 7.423 1.334 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.422 7.306 1.034 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.275 6.501 2.812 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.372 6.896 2.737 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.377 4.919 1.195 0.20 0.00 N ATOM 176 N BTRP A 11 -14.461 5.257 0.610 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.010 4.538 0.855 0.20 0.00 C ATOM 178 CA BTRP A 11 -13.098 4.792 0.373 0.80 0.00 C ATOM 179 C ATRP A 11 -12.895 4.188 -0.623 0.20 0.00 C ATOM 180 C BTRP A 11 -12.864 4.527 -1.108 0.80 0.00 C ATOM 181 O ATRP A 11 -13.668 3.383 -1.142 0.20 0.00 O ATOM 182 O BTRP A 11 -13.767 4.087 -1.821 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.563 3.350 1.710 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.822 3.524 1.182 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.251 3.722 3.128 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.675 3.775 2.652 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.080 3.603 4.207 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.657 3.705 3.598 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.024 4.276 3.617 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.474 4.141 3.343 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.442 4.049 5.340 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.140 4.005 4.836 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.179 4.466 5.005 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.802 4.274 4.705 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.811 4.627 3.022 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.155 4.365 2.943 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.167 4.993 5.801 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -10.859 4.625 5.667 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.807 5.149 3.814 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.219 4.713 3.898 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.990 5.328 5.191 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.574 4.838 5.247 0.80 0.00 C ATOM 0 H ATRP A 11 -15.025 4.136 1.278 0.20 0.00 H new ATOM 0 H BTRP A 11 -15.153 4.882 -0.039 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.360 5.389 1.059 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.412 5.575 0.695 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.347 2.593 1.705 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.635 2.816 1.022 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.680 2.898 1.258 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.912 3.055 0.808 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.088 3.216 4.175 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.688 3.451 3.402 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.843 4.067 6.278 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.666 4.024 5.710 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.660 4.493 1.961 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.871 4.268 1.905 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.306 5.133 6.863 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.132 4.726 6.707 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.865 5.424 3.364 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.197 4.892 3.599 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.185 5.739 5.783 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -8.819 5.108 5.970 0.80 0.00 H new ATOM 223 N AGLU A 12 -11.925 4.798 -1.297 0.20 0.00 N ATOM 224 N BGLU A 12 -11.644 4.795 -1.568 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.709 4.550 -2.718 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.293 4.585 -2.968 0.80 0.00 C ATOM 227 C AGLU A 12 -10.287 4.063 -2.977 0.20 0.00 C ATOM 228 C BGLU A 12 -9.946 3.879 -3.090 0.80 0.00 C ATOM 229 O AGLU A 12 -9.317 4.674 -2.525 0.20 0.00 O ATOM 230 O BGLU A 12 -9.019 4.150 -2.327 0.80 0.00 O ATOM 231 CB AGLU A 12 -11.982 5.820 -3.528 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.252 5.920 -3.713 0.80 0.00 C ATOM 233 CG AGLU A 12 -11.362 5.802 -4.916 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.597 6.624 -3.775 0.80 0.00 C ATOM 235 CD AGLU A 12 -12.000 6.808 -5.852 0.20 0.00 C ATOM 236 CD BGLU A 12 -13.587 5.912 -4.675 0.80 0.00 C ATOM 237 OE1AGLU A 12 -12.671 6.379 -6.814 0.20 0.00 O ATOM 238 OE1BGLU A 12 -13.144 5.137 -5.548 0.80 0.00 O ATOM 239 OE2AGLU A 12 -11.831 8.024 -5.625 0.20 0.00 O ATOM 240 OE2BGLU A 12 -14.806 6.128 -4.505 0.80 0.00 O ATOM 0 H AGLU A 12 -11.277 5.467 -0.882 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.884 5.157 -0.992 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.403 3.771 -3.033 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.058 3.951 -3.417 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -13.059 5.956 -3.622 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -10.530 6.576 -3.226 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -11.599 6.680 -2.979 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.894 5.749 -4.728 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -10.295 6.011 -4.836 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.012 6.696 -2.770 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -11.460 4.803 -5.341 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -12.453 7.643 -4.134 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.167 2.960 -3.707 0.20 0.00 N ATOM 254 N BLYS A 13 -9.844 2.972 -4.055 0.80 0.00 N ATOM 255 CA ALYS A 13 -8.865 2.390 -4.028 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.611 2.226 -4.280 0.80 0.00 C ATOM 257 C ALYS A 13 -8.062 3.334 -4.918 0.20 0.00 C ATOM 258 C BLYS A 13 -7.725 2.936 -5.300 0.80 0.00 C ATOM 259 O ALYS A 13 -8.626 4.062 -5.734 0.20 0.00 O ATOM 260 O BLYS A 13 -8.025 2.951 -6.493 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.034 1.037 -4.722 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.927 0.810 -4.763 0.80 0.00 C ATOM 263 CG ALYS A 13 -7.791 0.165 -4.667 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.693 -0.002 -5.116 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.083 -1.252 -5.132 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.063 -1.312 -5.795 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.227 -2.268 -4.391 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.248 -2.430 -4.781 0.80 0.00 C ATOM 269 NZ ALYS A 13 -5.797 -2.189 -4.793 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.946 -2.919 -4.251 0.80 0.00 N ATOM 0 H ALYS A 13 -10.958 2.442 -4.088 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.602 2.735 -4.695 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.319 2.247 -3.095 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.073 2.168 -3.334 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -9.863 0.502 -4.259 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.486 0.287 -3.987 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.304 1.204 -5.765 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.575 0.870 -5.638 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.012 0.601 -5.292 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.049 0.581 -5.774 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.406 0.142 -3.647 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.121 -0.209 -4.211 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -9.137 -1.478 -4.974 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.982 -1.181 -6.366 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -7.898 -1.330 -6.203 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.284 -1.588 -6.505 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -7.312 -2.100 -3.317 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.865 -2.074 -3.956 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -7.604 -3.272 -4.587 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.784 -3.257 -5.246 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -5.436 -3.146 -4.982 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.068 -3.875 -3.859 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -5.709 -1.610 -5.652 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.246 -2.946 -5.020 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -5.244 -1.756 -4.026 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.613 -2.278 -3.503 0.80 0.00 H new ATOM 297 N AARG A 14 -6.744 3.314 -4.755 0.20 0.00 N ATOM 298 N BARG A 14 -6.633 3.523 -4.821 0.80 0.00 N ATOM 299 CA AARG A 14 -5.864 4.168 -5.544 0.20 0.00 C ATOM 300 CA BARG A 14 -5.703 4.233 -5.691 0.80 0.00 C ATOM 301 C AARG A 14 -4.522 3.485 -5.792 0.20 0.00 C ATOM 302 C BARG A 14 -4.374 3.490 -5.788 0.80 0.00 C ATOM 303 O AARG A 14 -4.188 2.496 -5.139 0.20 0.00 O ATOM 304 O BARG A 14 -4.095 2.592 -4.996 0.80 0.00 O ATOM 305 CB AARG A 14 -5.645 5.505 -4.835 0.20 0.00 C ATOM 306 CB BARG A 14 -5.470 5.653 -5.173 0.80 0.00 C ATOM 307 CG AARG A 14 -6.486 6.639 -5.400 0.20 0.00 C ATOM 308 CG BARG A 14 -6.751 6.442 -4.960 0.80 0.00 C ATOM 309 CD AARG A 14 -5.807 7.986 -5.209 0.20 0.00 C ATOM 310 CD BARG A 14 -6.931 7.513 -6.025 0.80 0.00 C ATOM 311 NE AARG A 14 -5.956 8.846 -6.379 0.20 0.00 N ATOM 312 NE BARG A 14 -5.801 8.437 -6.068 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.202 9.917 -6.606 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.664 9.389 -6.986 0.80 0.00 C ATOM 315 NH1AARG A 14 -4.251 10.256 -5.745 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.582 9.540 -7.930 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.398 10.649 -7.694 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.608 10.192 -6.957 0.80 0.00 N ATOM 0 H AARG A 14 -6.262 2.716 -4.084 0.20 0.00 H new ATOM 0 H BARG A 14 -6.371 3.521 -3.835 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.343 4.349 -6.506 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.143 4.285 -6.687 0.80 0.00 H new ATOM 0 HB2AARG A 14 -5.874 5.387 -3.776 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.924 5.602 -4.231 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.591 5.775 -4.905 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.837 6.189 -5.880 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.664 6.467 -6.462 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.604 5.764 -4.977 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.460 6.649 -4.911 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.733 6.907 -3.974 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.230 8.484 -4.337 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.049 7.039 -6.999 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.747 7.832 -5.005 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.847 8.070 -5.828 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.679 8.612 -7.060 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.077 8.347 -5.355 0.80 0.00 H new ATOM 0 HH11AARG A 14 -4.098 9.694 -4.907 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.396 8.925 -7.953 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.673 11.078 -5.921 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.475 10.271 -8.633 0.80 0.00 H new ATOM 0 HH21AARG A 14 -6.128 10.391 -8.358 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.901 10.079 -6.230 0.80 0.00 H new ATOM 0 HH22AARG A 14 -4.819 11.471 -7.867 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.503 10.922 -7.661 0.80 0.00 H new ATOM 345 N AMET A 15 -3.757 4.021 -6.738 0.20 0.00 N ATOM 346 N BMET A 15 -3.558 3.874 -6.766 0.80 0.00 N ATOM 347 CA AMET A 15 -2.451 3.464 -7.069 0.20 0.00 C ATOM 348 CA BMET A 15 -2.259 3.245 -6.967 0.80 0.00 C ATOM 349 C AMET A 15 -1.337 4.451 -6.732 0.20 0.00 C ATOM 350 C BMET A 15 -1.180 4.293 -7.217 0.80 0.00 C ATOM 351 O AMET A 15 -1.570 5.463 -6.071 0.20 0.00 O ATOM 352 O BMET A 15 -1.344 5.177 -8.055 0.80 0.00 O ATOM 353 CB AMET A 15 -2.391 3.096 -8.552 0.20 0.00 C ATOM 354 CB BMET A 15 -2.317 2.266 -8.142 0.80 0.00 C ATOM 355 CG AMET A 15 -1.686 1.778 -8.824 0.20 0.00 C ATOM 356 CG BMET A 15 -0.957 1.729 -8.555 0.80 0.00 C ATOM 357 SD AMET A 15 -0.415 1.918 -10.097 0.20 0.00 S ATOM 358 SD BMET A 15 -1.037 0.041 -9.182 0.80 0.00 S ATOM 359 CE AMET A 15 0.335 0.295 -10.006 0.20 0.00 C ATOM 360 CE BMET A 15 0.513 -0.063 -10.075 0.80 0.00 C ATOM 0 H AMET A 15 -4.019 4.839 -7.288 0.20 0.00 H new ATOM 0 H BMET A 15 -3.774 4.617 -7.430 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.306 2.563 -6.473 0.20 0.00 H new ATOM 0 HA BMET A 15 -2.006 2.697 -6.059 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.406 3.044 -8.946 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.963 1.429 -7.875 0.80 0.00 H new ATOM 0 HB3AMET A 15 -1.879 3.891 -9.095 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.776 2.764 -8.996 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.232 1.416 -7.901 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.532 2.377 -9.322 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.421 1.034 -9.131 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.282 1.763 -7.699 0.80 0.00 H new ATOM 0 HE1AMET A 15 1.142 0.226 -10.736 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.312 -0.187 -11.139 0.80 0.00 H new ATOM 0 HE2AMET A 15 0.736 0.135 -9.005 0.20 0.00 H new ATOM 0 HE2BMET A 15 1.086 0.851 -9.918 0.80 0.00 H new ATOM 0 HE3AMET A 15 -0.416 -0.465 -10.222 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.085 -0.917 -9.712 0.80 0.00 H new ATOM 379 N ASER A 16 -0.127 4.149 -7.192 0.20 0.00 N ATOM 380 N BSER A 16 -0.077 4.188 -6.480 0.80 0.00 N ATOM 381 CA ASER A 16 1.024 5.008 -6.936 0.20 0.00 C ATOM 382 CA BSER A 16 1.026 5.129 -6.621 0.80 0.00 C ATOM 383 C ASER A 16 1.745 5.351 -8.235 0.20 0.00 C ATOM 384 C BSER A 16 1.553 5.143 -8.053 0.80 0.00 C ATOM 385 O ASER A 16 1.506 4.733 -9.273 0.20 0.00 O ATOM 386 O BSER A 16 1.016 4.466 -8.929 0.80 0.00 O ATOM 387 CB ASER A 16 1.991 4.324 -5.968 0.20 0.00 C ATOM 388 CB BSER A 16 2.157 4.771 -5.654 0.80 0.00 C ATOM 389 OG ASER A 16 2.795 3.369 -6.638 0.20 0.00 O ATOM 390 OG BSER A 16 3.103 5.821 -5.562 0.80 0.00 O ATOM 0 H ASER A 16 0.082 3.317 -7.743 0.20 0.00 H new ATOM 0 H BSER A 16 0.075 3.461 -5.781 0.80 0.00 H new ATOM 0 HA ASER A 16 0.664 5.933 -6.486 0.20 0.00 H new ATOM 0 HA BSER A 16 0.652 6.124 -6.381 0.80 0.00 H new ATOM 0 HB2ASER A 16 2.628 5.072 -5.496 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.743 4.563 -4.667 0.80 0.00 H new ATOM 0 HB3ASER A 16 1.429 3.836 -5.172 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.652 3.860 -5.990 0.80 0.00 H new ATOM 0 HG ASER A 16 3.547 3.822 -7.074 0.20 0.00 H new ATOM 0 HG BSER A 16 3.987 5.448 -5.360 0.80 0.00 H new ATOM 401 N AARG A 17 2.631 6.340 -8.169 0.20 0.00 N ATOM 402 N BARG A 17 2.607 5.920 -8.282 0.80 0.00 N ATOM 403 CA AARG A 17 3.387 6.767 -9.340 0.20 0.00 C ATOM 404 CA BARG A 17 3.205 6.022 -9.606 0.80 0.00 C ATOM 405 C AARG A 17 4.788 7.225 -8.946 0.20 0.00 C ATOM 406 C BARG A 17 4.722 5.862 -9.534 0.80 0.00 C ATOM 407 O AARG A 17 5.333 8.162 -9.529 0.20 0.00 O ATOM 408 O BARG A 17 5.334 5.249 -10.406 0.80 0.00 O ATOM 409 CB AARG A 17 2.653 7.900 -10.063 0.20 0.00 C ATOM 410 CB BARG A 17 2.854 7.368 -10.244 0.80 0.00 C ATOM 411 CG AARG A 17 3.126 8.117 -11.490 0.20 0.00 C ATOM 412 CG BARG A 17 3.586 7.632 -11.550 0.80 0.00 C ATOM 413 CD AARG A 17 2.726 9.492 -12.005 0.20 0.00 C ATOM 414 CD BARG A 17 3.199 8.977 -12.145 0.80 0.00 C ATOM 415 NE AARG A 17 1.327 9.800 -11.719 0.20 0.00 N ATOM 416 NE BARG A 17 1.753 9.179 -12.144 0.80 0.00 N ATOM 417 CZ AARG A 17 0.810 11.021 -11.805 0.20 0.00 C ATOM 418 CZ BARG A 17 1.177 10.366 -12.296 0.80 0.00 C ATOM 419 NH1AARG A 17 1.573 12.043 -12.167 0.20 0.00 N ATOM 420 NH1BARG A 17 1.919 11.452 -12.459 0.80 0.00 N ATOM 421 NH2AARG A 17 -0.471 11.221 -11.529 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.148 10.469 -12.284 0.80 0.00 N ATOM 0 H AARG A 17 2.843 6.860 -7.317 0.20 0.00 H new ATOM 0 H BARG A 17 3.063 6.487 -7.568 0.80 0.00 H new ATOM 0 HA AARG A 17 3.478 5.914 -10.013 0.20 0.00 H new ATOM 0 HA BARG A 17 2.802 5.218 -10.221 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.585 7.682 -10.072 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.780 7.406 -10.425 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.785 8.824 -9.501 0.20 0.00 H new ATOM 0 HB3BARG A 17 3.086 8.166 -9.539 0.80 0.00 H new ATOM 0 HG2AARG A 17 4.210 8.011 -11.536 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.662 7.606 -11.377 0.80 0.00 H new ATOM 0 HG3AARG A 17 2.703 7.348 -12.136 0.20 0.00 H new ATOM 0 HG3BARG A 17 3.358 6.839 -12.262 0.80 0.00 H new ATOM 0 HD2AARG A 17 3.364 10.249 -11.549 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.677 9.776 -11.578 0.80 0.00 H new ATOM 0 HD3AARG A 17 2.895 9.539 -13.081 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.574 9.043 -13.166 0.80 0.00 H new ATOM 0 HE AARG A 17 0.713 9.036 -11.438 0.20 0.00 H new ATOM 0 HE BARG A 17 1.152 8.364 -12.020 0.80 0.00 H new ATOM 0 HH11AARG A 17 2.559 11.893 -12.380 0.20 0.00 H new ATOM 0 HH11BARG A 17 2.936 11.378 -12.468 0.80 0.00 H new ATOM 0 HH12AARG A 17 1.174 12.979 -12.232 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.473 12.362 -12.575 0.80 0.00 H new ATOM 0 HH21AARG A 17 -1.061 10.437 -11.250 0.20 0.00 H new ATOM 0 HH21BARG A 17 -0.723 9.636 -12.158 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.867 12.159 -11.595 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.590 11.381 -12.401 0.80 0.00 H new ATOM 449 N AASN A 18 5.364 6.558 -7.952 0.20 0.00 N ATOM 450 N BASN A 18 5.319 6.419 -8.485 0.80 0.00 N ATOM 451 CA AASN A 18 6.701 6.896 -7.477 0.20 0.00 C ATOM 452 CA BASN A 18 6.763 6.338 -8.298 0.80 0.00 C ATOM 453 C AASN A 18 7.493 5.638 -7.139 0.20 0.00 C ATOM 454 C BASN A 18 7.129 5.172 -7.385 0.80 0.00 C ATOM 455 O AASN A 18 8.571 5.404 -7.686 0.20 0.00 O ATOM 456 O BASN A 18 8.161 5.196 -6.713 0.80 0.00 O ATOM 457 CB AASN A 18 6.614 7.805 -6.249 0.20 0.00 C ATOM 458 CB BASN A 18 7.296 7.646 -7.709 0.80 0.00 C ATOM 459 CG AASN A 18 6.691 9.276 -6.609 0.20 0.00 C ATOM 460 CG BASN A 18 6.866 8.859 -8.513 0.80 0.00 C ATOM 461 OD1AASN A 18 6.800 9.633 -7.783 0.20 0.00 O ATOM 462 OD1BASN A 18 6.173 9.740 -8.005 0.80 0.00 O ATOM 463 ND2AASN A 18 6.634 10.137 -5.601 0.20 0.00 N ATOM 464 ND2BASN A 18 7.276 8.906 -9.776 0.80 0.00 N ATOM 0 H AASN A 18 4.926 5.780 -7.459 0.20 0.00 H new ATOM 0 H BASN A 18 4.826 6.930 -7.753 0.80 0.00 H new ATOM 0 HA AASN A 18 7.220 7.425 -8.276 0.20 0.00 H new ATOM 0 HA BASN A 18 7.221 6.172 -9.273 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.679 7.611 -5.723 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.943 7.750 -6.683 0.80 0.00 H new ATOM 0 HB3AASN A 18 7.423 7.560 -5.561 0.20 0.00 H new ATOM 0 HB3BASN A 18 8.385 7.607 -7.669 0.80 0.00 H new ATOM 0 HD21AASN A 18 6.681 11.139 -5.783 0.20 0.00 H new ATOM 0 HD21BASN A 18 7.017 9.696 -10.367 0.80 0.00 H new ATOM 0 HD22AASN A 18 6.544 9.796 -4.644 0.20 0.00 H new ATOM 0 HD22BASN A 18 7.850 8.152 -10.154 0.80 0.00 H new ATOM 477 N ASER A 19 6.952 4.831 -6.232 0.20 0.00 N ATOM 478 N BSER A 19 6.277 4.152 -7.366 0.80 0.00 N ATOM 479 CA ASER A 19 7.610 3.597 -5.819 0.20 0.00 C ATOM 480 CA BSER A 19 6.508 2.978 -6.534 0.80 0.00 C ATOM 481 C ASER A 19 6.934 2.383 -6.449 0.20 0.00 C ATOM 482 C BSER A 19 5.742 1.771 -7.071 0.80 0.00 C ATOM 483 O ASER A 19 7.600 1.476 -6.946 0.20 0.00 O ATOM 484 O BSER A 19 6.340 0.779 -7.486 0.80 0.00 O ATOM 485 CB ASER A 19 7.588 3.471 -4.293 0.20 0.00 C ATOM 486 CB BSER A 19 6.089 3.258 -5.089 0.80 0.00 C ATOM 487 OG ASER A 19 6.374 2.894 -3.845 0.20 0.00 O ATOM 488 OG BSER A 19 4.728 3.647 -5.020 0.80 0.00 O ATOM 0 H ASER A 19 6.061 5.009 -5.769 0.20 0.00 H new ATOM 0 H BSER A 19 5.420 4.115 -7.918 0.80 0.00 H new ATOM 0 HA ASER A 19 8.644 3.633 -6.161 0.20 0.00 H new ATOM 0 HA BSER A 19 7.574 2.752 -6.559 0.80 0.00 H new ATOM 0 HB2ASER A 19 8.428 2.859 -3.964 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.247 2.367 -4.482 0.80 0.00 H new ATOM 0 HB3ASER A 19 7.714 4.455 -3.842 0.20 0.00 H new ATOM 0 HB3BSER A 19 6.717 4.044 -4.671 0.80 0.00 H new ATOM 0 HG ASER A 19 6.387 2.823 -2.868 0.20 0.00 H new ATOM 0 HG BSER A 19 4.484 3.819 -4.087 0.80 0.00 H new ATOM 499 N AGLY A 20 5.604 2.374 -6.425 0.20 0.00 N ATOM 500 N BGLY A 20 4.417 1.865 -7.058 0.80 0.00 N ATOM 501 CA AGLY A 20 4.860 1.267 -6.996 0.20 0.00 C ATOM 502 CA BGLY A 20 3.590 0.778 -7.546 0.80 0.00 C ATOM 503 C AGLY A 20 4.110 0.471 -5.947 0.20 0.00 C ATOM 504 C BGLY A 20 2.871 0.049 -6.428 0.80 0.00 C ATOM 505 O AGLY A 20 4.700 -0.339 -5.233 0.20 0.00 O ATOM 506 O BGLY A 20 2.548 -1.132 -6.554 0.80 0.00 O ATOM 0 H AGLY A 20 5.029 3.113 -6.020 0.20 0.00 H new ATOM 0 H BGLY A 20 3.901 2.676 -6.718 0.80 0.00 H new ATOM 0 HA2AGLY A 20 4.153 1.650 -7.732 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.856 1.171 -8.250 0.80 0.00 H new ATOM 0 HA3AGLY A 20 5.546 0.607 -7.527 0.20 0.00 H new ATOM 0 HA3BGLY A 20 4.212 0.071 -8.096 0.80 0.00 H new ATOM 513 N AARG A 21 2.804 0.700 -5.854 0.20 0.00 N ATOM 514 N BARG A 21 2.623 0.754 -5.329 0.80 0.00 N ATOM 515 CA AARG A 21 1.972 -0.003 -4.884 0.20 0.00 C ATOM 516 CA BARG A 21 1.940 0.167 -4.183 0.80 0.00 C ATOM 517 C AARG A 21 0.532 0.496 -4.942 0.20 0.00 C ATOM 518 C BARG A 21 0.505 0.677 -4.085 0.80 0.00 C ATOM 519 O AARG A 21 0.148 1.211 -5.866 0.20 0.00 O ATOM 520 O BARG A 21 0.260 1.883 -4.109 0.80 0.00 O ATOM 521 CB AARG A 21 2.533 0.184 -3.472 0.20 0.00 C ATOM 522 CB BARG A 21 2.696 0.489 -2.892 0.80 0.00 C ATOM 523 CG AARG A 21 2.850 -1.123 -2.766 0.20 0.00 C ATOM 524 CG BARG A 21 3.691 -0.585 -2.485 0.80 0.00 C ATOM 525 CD AARG A 21 4.160 -1.038 -1.997 0.20 0.00 C ATOM 526 CD BARG A 21 4.851 0.001 -1.695 0.80 0.00 C ATOM 527 NE AARG A 21 4.255 0.190 -1.212 0.20 0.00 N ATOM 528 NE BARG A 21 4.396 0.930 -0.665 0.80 0.00 N ATOM 529 CZ AARG A 21 3.648 0.364 -0.043 0.20 0.00 C ATOM 530 CZ BARG A 21 3.903 0.545 0.507 0.80 0.00 C ATOM 531 NH1AARG A 21 2.908 -0.606 0.475 0.20 0.00 N ATOM 532 NH1BARG A 21 3.800 -0.745 0.795 0.80 0.00 N ATOM 533 NH2AARG A 21 3.782 1.510 0.611 0.20 0.00 N ATOM 534 NH2BARG A 21 3.509 1.451 1.393 0.80 0.00 N ATOM 0 H AARG A 21 2.299 1.367 -6.438 0.20 0.00 H new ATOM 0 H BARG A 21 2.885 1.732 -5.208 0.80 0.00 H new ATOM 0 HA AARG A 21 1.980 -1.064 -5.134 0.20 0.00 H new ATOM 0 HA BARG A 21 1.915 -0.914 -4.322 0.80 0.00 H new ATOM 0 HB2AARG A 21 3.439 0.787 -3.527 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.225 1.434 -3.017 0.80 0.00 H new ATOM 0 HB3AARG A 21 1.813 0.744 -2.875 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.977 0.630 -2.085 0.80 0.00 H new ATOM 0 HG2AARG A 21 2.040 -1.373 -2.081 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.186 -1.342 -1.885 0.80 0.00 H new ATOM 0 HG3AARG A 21 2.908 -1.928 -3.498 0.20 0.00 H new ATOM 0 HG3BARG A 21 4.072 -1.086 -3.375 0.80 0.00 H new ATOM 0 HD2AARG A 21 4.248 -1.899 -1.335 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.418 -0.806 -1.231 0.80 0.00 H new ATOM 0 HD3AARG A 21 4.995 -1.087 -2.696 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.529 0.517 -2.375 0.80 0.00 H new ATOM 0 HE AARG A 21 4.818 0.956 -1.581 0.20 0.00 H new ATOM 0 HE BARG A 21 4.460 1.930 -0.856 0.80 0.00 H new ATOM 0 HH11AARG A 21 2.803 -1.489 -0.024 0.20 0.00 H new ATOM 0 HH11BARG A 21 4.100 -1.445 0.116 0.80 0.00 H new ATOM 0 HH12AARG A 21 2.443 -0.469 1.373 0.20 0.00 H new ATOM 0 HH12BARG A 21 3.421 -1.038 1.696 0.80 0.00 H new ATOM 0 HH21AARG A 21 4.351 2.259 0.217 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.584 2.444 1.175 0.80 0.00 H new ATOM 0 HH22AARG A 21 3.316 1.643 1.508 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.131 1.154 2.292 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.263 0.112 -3.946 0.20 0.00 N ATOM 562 N BVAL A 22 -0.441 -0.251 -3.976 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.661 0.520 -3.883 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.851 0.104 -3.875 0.80 0.00 C ATOM 565 C AVAL A 22 -2.087 0.798 -2.445 0.20 0.00 C ATOM 566 C BVAL A 22 -2.206 0.554 -2.462 0.80 0.00 C ATOM 567 O AVAL A 22 -1.393 0.429 -1.498 0.20 0.00 O ATOM 568 O BVAL A 22 -1.715 -0.005 -1.481 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.586 -0.555 -4.483 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.758 -1.078 -4.267 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.532 -0.519 -6.002 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.221 -0.723 -4.056 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.211 -1.933 -3.960 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.502 -1.489 -5.709 0.80 0.00 C ATOM 0 H AVAL A 22 0.038 -0.481 -3.173 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.256 -1.254 -3.955 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.752 1.435 -4.469 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.019 0.928 -4.569 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.610 -0.341 -4.175 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.520 -1.925 -3.624 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.192 -1.286 -6.408 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.845 -1.571 -4.339 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.854 0.461 -6.354 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.389 -0.482 -3.006 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.511 -0.706 -6.334 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.479 0.139 -4.672 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.875 -2.680 -4.395 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.151 -2.325 -5.970 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.181 -2.159 -4.236 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.711 -0.648 -6.370 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.308 -1.949 -2.874 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.460 -1.789 -5.822 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.235 1.450 -2.291 0.20 0.00 N ATOM 594 N BTYR A 23 -3.057 1.567 -2.365 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.753 1.780 -0.969 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.474 2.095 -1.071 0.80 0.00 C ATOM 597 C ATYR A 23 -5.199 2.259 -1.055 0.20 0.00 C ATOM 598 C BTYR A 23 -4.923 2.572 -1.120 0.80 0.00 C ATOM 599 O ATYR A 23 -5.803 2.257 -2.128 0.20 0.00 O ATOM 600 O BTYR A 23 -5.554 2.570 -2.177 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.886 2.856 -0.312 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.562 3.247 -0.649 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.473 3.962 -1.257 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.645 4.453 -1.558 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.227 5.124 -1.368 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.595 5.443 -1.343 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.331 3.845 -2.039 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.775 4.601 -2.630 0.80 0.00 C ATOM 609 CE1ATYR A 23 -2.855 6.138 -2.232 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.676 6.547 -2.171 0.80 0.00 C ATOM 611 CE2ATYR A 23 -0.951 4.852 -2.902 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.848 5.701 -3.462 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.716 5.997 -2.996 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.800 6.672 -3.229 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.340 7.003 -3.856 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.876 7.768 -4.055 0.80 0.00 O ATOM 0 H ATYR A 23 -3.823 1.760 -3.065 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.473 2.040 -3.167 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.724 0.877 -0.359 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.398 1.292 -0.338 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.433 3.290 0.525 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.820 3.550 0.366 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.992 2.389 0.100 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.532 2.892 -0.624 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -4.119 5.237 -0.769 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.282 5.349 -0.515 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.730 2.950 -1.970 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -1.029 3.843 -2.816 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.453 7.034 -2.308 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.421 7.308 -1.990 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -0.059 4.745 -3.501 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.163 5.801 -4.291 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.423 6.691 -4.781 0.20 0.00 H new ATOM 0 HH BTYR A 23 -2.187 7.703 -4.749 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.749 2.668 0.083 0.20 0.00 N ATOM 636 N BTYR A 24 -5.442 2.981 0.032 0.80 0.00 N ATOM 637 CA ATYR A 24 -7.124 3.148 0.137 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.818 3.459 0.123 0.80 0.00 C ATOM 639 C ATYR A 24 -7.171 4.633 0.482 0.20 0.00 C ATOM 640 C BTYR A 24 -6.865 4.878 0.683 0.80 0.00 C ATOM 641 O ATYR A 24 -6.459 5.097 1.373 0.20 0.00 O ATOM 642 O BTYR A 24 -6.116 5.222 1.600 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.924 2.349 1.169 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.646 2.523 1.004 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.695 0.857 1.089 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.441 1.058 0.693 0.80 0.00 C ATOM 647 CD1ATYR A 24 -6.608 0.266 1.723 0.20 0.00 C ATOM 648 CD1BTYR A 24 -6.735 0.235 1.561 0.80 0.00 C ATOM 649 CD2ATYR A 24 -8.565 0.038 0.380 0.20 0.00 C ATOM 650 CD2BTYR A 24 -7.953 0.497 -0.472 0.80 0.00 C ATOM 651 CE1ATYR A 24 -6.395 -1.097 1.652 0.20 0.00 C ATOM 652 CE1BTYR A 24 -6.544 -1.104 1.280 0.80 0.00 C ATOM 653 CE2ATYR A 24 -8.360 -1.328 0.304 0.20 0.00 C ATOM 654 CE2BTYR A 24 -7.767 -0.840 -0.759 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.273 -1.889 0.942 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.062 -1.636 0.118 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.064 -3.249 0.868 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.875 -2.971 -0.165 0.80 0.00 O ATOM 0 H ATYR A 24 -5.264 2.677 0.980 0.20 0.00 H new ATOM 0 H BTYR A 24 -4.932 2.992 0.915 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.569 3.008 -0.848 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.241 3.470 -0.882 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.660 2.696 2.168 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.392 2.703 2.049 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.986 2.553 1.031 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.702 2.766 0.886 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -5.919 0.883 2.280 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -6.328 0.649 2.472 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -9.416 0.475 -0.121 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -8.505 1.117 -1.163 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -5.545 -1.540 2.150 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -5.993 -1.730 1.966 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -9.046 -1.951 -0.251 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -8.172 -1.261 -1.667 0.80 0.00 H new ATOM 0 HH ATYR A 24 -7.773 -3.660 0.331 0.20 0.00 H new ATOM 0 HH BTYR A 24 -7.303 -3.187 -1.020 0.80 0.00 H new ATOM 677 N APHE A 25 -8.015 5.372 -0.231 0.20 0.00 N ATOM 678 N BPHE A 25 -7.749 5.698 0.125 0.80 0.00 N ATOM 679 CA APHE A 25 -8.155 6.805 -0.002 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.895 7.079 0.567 0.80 0.00 C ATOM 681 C APHE A 25 -9.567 7.147 0.462 0.20 0.00 C ATOM 682 C BPHE A 25 -9.366 7.433 0.772 0.80 0.00 C ATOM 683 O APHE A 25 -10.539 6.929 -0.263 0.20 0.00 O ATOM 684 O BPHE A 25 -10.234 6.973 0.032 0.80 0.00 O ATOM 685 CB APHE A 25 -7.822 7.582 -1.278 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.267 8.033 -0.450 0.80 0.00 C ATOM 687 CG APHE A 25 -7.935 9.072 -1.121 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.620 9.475 -0.220 0.80 0.00 C ATOM 689 CD1APHE A 25 -7.114 9.751 -0.235 0.20 0.00 C ATOM 690 CD1BPHE A 25 -7.052 10.182 0.825 0.80 0.00 C ATOM 691 CD2APHE A 25 -8.861 9.792 -1.858 0.20 0.00 C ATOM 692 CD2BPHE A 25 -8.522 10.121 -1.049 0.80 0.00 C ATOM 693 CE1APHE A 25 -7.215 11.122 -0.088 0.20 0.00 C ATOM 694 CE1BPHE A 25 -7.373 11.509 1.041 0.80 0.00 C ATOM 695 CE2APHE A 25 -8.967 11.161 -1.715 0.20 0.00 C ATOM 696 CE2BPHE A 25 -8.848 11.448 -0.840 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.142 11.829 -0.828 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.274 12.142 0.207 0.80 0.00 C ATOM 0 H APHE A 25 -8.611 5.002 -0.971 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.375 5.430 -0.634 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.455 7.092 0.783 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.378 7.184 1.521 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.808 7.334 -1.590 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.183 7.923 -0.417 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.490 7.257 -2.076 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.586 7.745 -1.451 0.80 0.00 H new ATOM 0 HD1APHE A 25 -6.387 9.203 0.347 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -6.348 9.690 1.481 0.80 0.00 H new ATOM 0 HD2APHE A 25 -9.508 9.276 -2.553 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -8.976 9.582 -1.868 0.80 0.00 H new ATOM 0 HE1APHE A 25 -6.569 11.640 0.605 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -6.921 12.049 1.859 0.80 0.00 H new ATOM 0 HE2APHE A 25 -9.694 11.710 -2.295 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -9.551 11.942 -1.495 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.223 12.900 -0.715 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.529 13.178 0.373 0.80 0.00 H new ATOM 717 N AASN A 26 -9.673 7.682 1.674 0.20 0.00 N ATOM 718 N BASN A 26 -9.637 8.254 1.782 0.80 0.00 N ATOM 719 CA AASN A 26 -10.968 8.053 2.234 0.20 0.00 C ATOM 720 CA BASN A 26 -11.002 8.668 2.085 0.80 0.00 C ATOM 721 C AASN A 26 -11.317 9.499 1.889 0.20 0.00 C ATOM 722 C BASN A 26 -11.251 10.099 1.618 0.80 0.00 C ATOM 723 O AASN A 26 -10.694 10.435 2.389 0.20 0.00 O ATOM 724 O BASN A 26 -10.522 11.021 1.988 0.80 0.00 O ATOM 725 CB AASN A 26 -10.961 7.868 3.752 0.20 0.00 C ATOM 726 CB BASN A 26 -11.271 8.554 3.585 0.80 0.00 C ATOM 727 CG AASN A 26 -12.290 8.227 4.386 0.20 0.00 C ATOM 728 CG BASN A 26 -12.753 8.547 3.909 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.571 9.399 4.645 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.556 9.159 3.206 0.80 0.00 O ATOM 731 ND2AASN A 26 -13.118 7.221 4.637 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.122 7.853 4.979 0.80 0.00 N ATOM 0 H AASN A 26 -8.879 7.868 2.287 0.20 0.00 H new ATOM 0 H BASN A 26 -8.930 8.645 2.404 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.725 7.401 1.797 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.684 8.006 1.551 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.718 6.832 3.987 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.815 7.640 3.964 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.176 8.487 4.187 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.793 9.387 4.101 0.80 0.00 H new ATOM 0 HD21AASN A 26 -14.028 7.403 5.061 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.105 7.813 5.246 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.845 6.266 4.406 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.422 7.360 5.534 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.317 9.671 1.030 0.20 0.00 N ATOM 746 N BHIS A 27 -12.288 10.280 0.806 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.750 11.001 0.618 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.636 11.600 0.290 0.80 0.00 C ATOM 749 C AHIS A 27 -13.840 11.530 1.547 0.20 0.00 C ATOM 750 C BHIS A 27 -13.425 12.396 1.324 0.80 0.00 C ATOM 751 O AHIS A 27 -14.855 12.057 1.091 0.20 0.00 O ATOM 752 O BHIS A 27 -13.514 13.620 1.242 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.262 10.971 -0.822 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.447 11.470 -0.998 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.483 10.125 -1.007 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.636 10.570 -0.871 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.162 10.033 -2.204 0.20 0.00 N ATOM 758 ND1BHIS A 27 -15.864 11.005 -0.417 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.147 9.328 -0.136 0.20 0.00 C ATOM 760 CD2BHIS A 27 -14.782 9.251 -1.139 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.192 9.219 -2.061 0.20 0.00 C ATOM 762 CE1BHIS A 27 -16.713 9.992 -0.412 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.205 8.776 -0.817 0.20 0.00 N ATOM 764 NE2BHIS A 27 -16.082 8.916 -0.846 0.80 0.00 N ATOM 0 H AHIS A 27 -12.842 8.906 0.606 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.902 9.529 0.491 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.891 11.670 0.676 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.711 12.134 0.075 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.484 11.989 -1.141 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.783 12.460 -1.307 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.470 10.599 -1.472 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.799 11.092 -1.789 0.80 0.00 H new ATOM 0 HD1AHIS A 27 -14.908 10.518 -3.065 0.20 0.00 H new ATOM 0 HD1BHIS A 27 -16.083 11.959 -0.130 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.892 9.158 0.900 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -14.018 8.586 -1.514 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.903 8.960 -2.831 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.747 10.037 -0.105 0.80 0.00 H new ATOM 779 N AILE A 28 -13.623 11.382 2.849 0.20 0.00 N ATOM 780 N BILE A 28 -13.998 11.691 2.294 0.80 0.00 N ATOM 781 CA AILE A 28 -14.587 11.844 3.841 0.20 0.00 C ATOM 782 CA BILE A 28 -14.780 12.333 3.345 0.80 0.00 C ATOM 783 C AILE A 28 -13.889 12.547 5.000 0.20 0.00 C ATOM 784 C BILE A 28 -13.881 12.849 4.464 0.80 0.00 C ATOM 785 O AILE A 28 -14.353 13.580 5.485 0.20 0.00 O ATOM 786 O BILE A 28 -14.012 13.990 4.906 0.80 0.00 O ATOM 787 CB AILE A 28 -15.428 10.678 4.393 0.20 0.00 C ATOM 788 CB BILE A 28 -15.821 11.367 3.941 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.390 10.162 3.322 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.789 10.894 2.856 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.194 11.120 5.632 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.575 12.040 5.078 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.536 11.105 3.031 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.884 9.988 3.376 0.80 0.00 C ATOM 0 H AILE A 28 -12.789 10.946 3.242 0.20 0.00 H new ATOM 0 H BILE A 28 -13.936 10.676 2.374 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.247 12.550 3.336 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.298 13.174 2.884 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.757 9.866 4.673 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.302 10.496 4.341 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.834 9.985 2.401 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.243 11.764 2.381 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.794 9.201 3.641 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.228 10.367 2.085 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.784 10.286 6.012 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.308 11.346 5.490 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.490 11.445 6.398 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.872 12.331 5.859 0.80 0.00 H new ATOM 0 HG23AILE A 28 -16.857 11.946 5.375 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.086 12.926 4.701 0.80 0.00 H new ATOM 0 HD11AILE A 28 -18.176 10.673 2.262 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.533 9.692 2.552 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.117 11.263 3.940 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.439 9.100 3.825 0.80 0.00 H new ATOM 0 HD13AILE A 28 -17.142 12.059 2.681 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.470 10.519 4.126 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.769 11.981 5.440 0.20 0.00 N ATOM 818 N BTHR A 29 -12.964 11.999 4.916 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.005 12.553 6.541 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.040 12.367 5.984 0.80 0.00 C ATOM 821 C ATHR A 29 -10.573 12.857 6.119 0.20 0.00 C ATOM 822 C BTHR A 29 -10.753 12.956 5.419 0.80 0.00 C ATOM 823 O ATHR A 29 -9.656 12.832 6.939 0.20 0.00 O ATOM 824 O BTHR A 29 -10.009 13.638 6.122 0.80 0.00 O ATOM 825 CB ATHR A 29 -11.982 11.609 7.758 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.691 11.156 6.868 0.80 0.00 C ATOM 827 OG1ATHR A 29 -12.861 10.500 7.535 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.728 9.954 6.089 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.396 12.345 9.023 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.661 11.041 8.034 0.80 0.00 C ATOM 0 H ATHR A 29 -12.371 11.127 5.050 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.841 11.051 4.560 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.501 13.482 6.821 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.544 13.118 6.592 0.80 0.00 H new ATOM 0 HB ATHR A 29 -10.963 11.244 7.887 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.686 11.300 7.265 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -12.839 9.904 8.313 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.504 9.188 6.658 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.372 11.657 9.868 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.395 10.178 8.645 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.707 13.170 9.206 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.609 11.945 8.641 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.406 12.736 8.902 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.675 10.917 7.653 0.80 0.00 H new ATOM 845 N AASN A 30 -10.387 13.142 4.835 0.20 0.00 N ATOM 846 N BASN A 30 -10.497 12.690 4.141 0.80 0.00 N ATOM 847 CA AASN A 30 -9.066 13.450 4.303 0.20 0.00 C ATOM 848 CA BASN A 30 -9.298 13.194 3.481 0.80 0.00 C ATOM 849 C AASN A 30 -8.033 12.439 4.793 0.20 0.00 C ATOM 850 C BASN A 30 -8.041 12.604 4.112 0.80 0.00 C ATOM 851 O AASN A 30 -6.880 12.788 5.050 0.20 0.00 O ATOM 852 O BASN A 30 -7.192 13.332 4.628 0.80 0.00 O ATOM 853 CB AASN A 30 -8.645 14.863 4.710 0.20 0.00 C ATOM 854 CB BASN A 30 -9.253 14.722 3.559 0.80 0.00 C ATOM 855 CG AASN A 30 -9.250 15.926 3.813 0.20 0.00 C ATOM 856 CG BASN A 30 -8.400 15.331 2.462 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.233 16.573 4.175 0.20 0.00 O ATOM 858 OD1BASN A 30 -8.905 16.027 1.582 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.662 16.113 2.637 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.098 15.071 2.512 0.80 0.00 N ATOM 0 H AASN A 30 -11.136 13.166 4.143 0.20 0.00 H new ATOM 0 H BASN A 30 -11.104 12.129 3.543 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.118 13.393 3.216 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.334 12.891 2.435 0.80 0.00 H new ATOM 0 HB2AASN A 30 -8.947 15.047 5.741 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.267 15.117 3.489 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.558 14.939 4.678 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.860 15.022 4.530 0.80 0.00 H new ATOM 0 HD21AASN A 30 -9.023 16.816 1.992 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.474 15.454 1.802 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.849 15.554 2.379 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.723 14.488 3.260 0.80 0.00 H new ATOM 873 N AALA A 31 -8.454 11.185 4.923 0.20 0.00 N ATOM 874 N BALA A 31 -7.928 11.281 4.067 0.80 0.00 N ATOM 875 CA AALA A 31 -7.567 10.124 5.382 0.20 0.00 C ATOM 876 CA BALA A 31 -6.772 10.592 4.630 0.80 0.00 C ATOM 877 C AALA A 31 -6.983 9.350 4.203 0.20 0.00 C ATOM 878 C BALA A 31 -6.535 9.257 3.934 0.80 0.00 C ATOM 879 O AALA A 31 -7.535 9.366 3.104 0.20 0.00 O ATOM 880 O BALA A 31 -7.466 8.649 3.406 0.80 0.00 O ATOM 881 CB AALA A 31 -8.309 9.184 6.319 0.20 0.00 C ATOM 882 CB BALA A 31 -6.962 10.385 6.126 0.80 0.00 C ATOM 0 H AALA A 31 -9.405 10.879 4.717 0.20 0.00 H new ATOM 0 H BALA A 31 -8.623 10.664 3.646 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.742 10.583 5.926 0.20 0.00 H new ATOM 0 HA BALA A 31 -5.892 11.215 4.468 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.634 8.396 6.654 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.093 9.870 6.535 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.672 9.742 7.182 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.074 11.352 6.616 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.154 8.739 5.794 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.855 9.784 6.300 0.80 0.00 H new ATOM 893 N ASER A 32 -5.865 8.673 4.442 0.20 0.00 N ATOM 894 N BSER A 32 -5.285 8.807 3.937 0.80 0.00 N ATOM 895 CA ASER A 32 -5.204 7.897 3.399 0.20 0.00 C ATOM 896 CA BSER A 32 -4.925 7.544 3.304 0.80 0.00 C ATOM 897 C ASER A 32 -4.246 6.877 4.007 0.20 0.00 C ATOM 898 C BSER A 32 -4.442 6.533 4.337 0.80 0.00 C ATOM 899 O ASER A 32 -3.032 7.068 3.996 0.20 0.00 O ATOM 900 O BSER A 32 -3.932 6.907 5.394 0.80 0.00 O ATOM 901 CB ASER A 32 -4.445 8.823 2.448 0.20 0.00 C ATOM 902 CB BSER A 32 -3.839 7.771 2.249 0.80 0.00 C ATOM 903 OG ASER A 32 -5.201 9.984 2.156 0.20 0.00 O ATOM 904 OG BSER A 32 -3.769 6.681 1.347 0.80 0.00 O ATOM 0 H ASER A 32 -5.398 8.646 5.348 0.20 0.00 H new ATOM 0 H BSER A 32 -4.504 9.299 4.371 0.80 0.00 H new ATOM 0 HA ASER A 32 -5.970 7.362 2.838 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.816 7.143 2.821 0.80 0.00 H new ATOM 0 HB2ASER A 32 -3.493 9.108 2.896 0.20 0.00 H new ATOM 0 HB2BSER A 32 -4.048 8.689 1.700 0.80 0.00 H new ATOM 0 HB3ASER A 32 -4.216 8.292 1.524 0.20 0.00 H new ATOM 0 HB3BSER A 32 -2.874 7.905 2.738 0.80 0.00 H new ATOM 0 HG ASER A 32 -6.152 9.752 2.108 0.20 0.00 H new ATOM 0 HG BSER A 32 -4.594 6.155 1.405 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.804 5.791 4.535 0.20 0.00 N ATOM 916 N BGLN A 33 -4.606 5.253 4.026 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.002 4.741 5.147 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.188 4.187 4.929 0.80 0.00 C ATOM 919 C AGLN A 33 -3.892 3.530 4.225 0.20 0.00 C ATOM 920 C BGLN A 33 -3.846 2.918 4.154 0.80 0.00 C ATOM 921 O AGLN A 33 -4.714 3.346 3.326 0.20 0.00 O ATOM 922 O BGLN A 33 -4.582 2.511 3.255 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.605 4.322 6.487 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.286 3.893 5.950 0.80 0.00 C ATOM 925 CG AGLN A 33 -6.023 3.779 6.372 0.20 0.00 C ATOM 926 CG BGLN A 33 -4.905 2.829 6.966 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.669 3.544 7.725 0.20 0.00 C ATOM 928 CD BGLN A 33 -5.966 2.632 8.031 0.80 0.00 C ATOM 929 OE1AGLN A 33 -6.576 4.381 8.624 0.20 0.00 O ATOM 930 OE1BGLN A 33 -5.934 3.272 9.083 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.327 2.401 7.876 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.916 1.742 7.765 0.80 0.00 N ATOM 0 H AGLN A 33 -5.809 5.617 4.550 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.026 4.928 3.155 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.001 5.138 5.316 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.294 4.523 5.454 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -3.969 3.562 6.941 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.536 4.814 6.477 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.606 5.180 7.160 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.185 3.574 5.422 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.631 4.480 5.800 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.734 1.884 6.450 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.006 2.843 5.814 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -3.965 3.107 7.442 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -7.378 1.736 7.104 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.905 1.233 6.881 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -7.781 2.187 8.764 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.656 1.567 8.445 0.80 0.00 H new ATOM 949 N APHE A 34 -2.873 2.709 4.453 0.20 0.00 N ATOM 950 N BPHE A 34 -2.726 2.297 4.506 0.80 0.00 N ATOM 951 CA APHE A 34 -2.657 1.516 3.643 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.285 1.077 3.842 0.80 0.00 C ATOM 953 C APHE A 34 -3.499 0.351 4.152 0.20 0.00 C ATOM 954 C BPHE A 34 -3.039 -0.136 4.381 0.80 0.00 C ATOM 955 O APHE A 34 -3.885 -0.531 3.385 0.20 0.00 O ATOM 956 O BPHE A 34 -3.312 -1.085 3.646 0.80 0.00 O ATOM 957 CB APHE A 34 -1.176 1.131 3.650 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.779 0.882 4.032 0.80 0.00 C ATOM 959 CG APHE A 34 -0.251 2.300 3.454 0.20 0.00 C ATOM 960 CG BPHE A 34 0.048 1.975 3.420 0.80 0.00 C ATOM 961 CD1APHE A 34 0.875 2.448 4.247 0.20 0.00 C ATOM 962 CD1BPHE A 34 0.913 2.727 4.199 0.80 0.00 C ATOM 963 CD2APHE A 34 -0.511 3.250 2.480 0.20 0.00 C ATOM 964 CD2BPHE A 34 -0.038 2.250 2.066 0.80 0.00 C ATOM 965 CE1APHE A 34 1.729 3.521 4.070 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.676 3.733 3.639 0.80 0.00 C ATOM 967 CE2APHE A 34 0.339 4.324 2.299 0.20 0.00 C ATOM 968 CE2BPHE A 34 0.724 3.256 1.499 0.80 0.00 C ATOM 969 CZ APHE A 34 1.460 4.463 3.096 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.581 4.000 2.287 0.80 0.00 C ATOM 0 H APHE A 34 -2.184 2.848 5.192 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.106 2.619 5.249 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.963 1.742 2.621 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.499 1.174 2.778 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.940 0.646 4.597 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.560 0.825 5.098 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.995 0.399 2.863 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.486 -0.073 3.595 0.80 0.00 H new ATOM 0 HD1APHE A 34 1.088 1.717 5.013 0.20 0.00 H new ATOM 0 HD1BPHE A 34 0.991 2.524 5.257 0.80 0.00 H new ATOM 0 HD2APHE A 34 -1.387 3.150 1.856 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.707 1.673 1.445 0.80 0.00 H new ATOM 0 HE1APHE A 34 2.606 3.623 4.693 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.347 4.311 4.258 0.80 0.00 H new ATOM 0 HE2APHE A 34 0.127 5.056 1.534 0.20 0.00 H new ATOM 0 HE2BPHE A 34 0.649 3.460 0.441 0.80 0.00 H new ATOM 0 HZ APHE A 34 2.123 5.305 2.958 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.175 4.788 1.847 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.780 0.355 5.451 0.20 0.00 N ATOM 990 N BGLU A 35 -3.370 -0.095 5.667 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.573 -0.703 6.064 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.091 -1.192 6.305 0.80 0.00 C ATOM 993 C AGLU A 35 -6.012 -0.668 5.552 0.20 0.00 C ATOM 994 C BGLU A 35 -5.562 -1.185 5.897 0.80 0.00 C ATOM 995 O AGLU A 35 -6.660 0.379 5.561 0.20 0.00 O ATOM 996 O BGLU A 35 -6.204 -0.136 5.868 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.560 -0.565 7.587 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.972 -1.094 7.827 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.836 -1.868 8.320 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.537 -1.046 8.323 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.717 -2.877 8.156 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.125 -2.318 9.040 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -2.668 -2.711 8.814 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -0.964 -2.744 8.874 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -3.888 -3.834 7.372 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -2.965 -2.887 9.768 0.80 0.00 O ATOM 0 H AGLU A 35 -3.470 1.079 6.099 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.151 0.684 6.288 0.80 0.00 H new ATOM 0 HA AGLU A 35 -4.129 -1.660 5.790 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.643 -2.129 5.973 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.589 -0.181 7.900 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.495 -0.200 8.167 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -5.306 0.173 7.883 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.475 -1.949 8.278 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -4.981 -1.661 9.380 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.870 -0.877 7.478 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -5.766 -2.299 7.950 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.418 -0.198 8.998 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.504 -1.820 5.108 0.20 0.00 N ATOM 1020 N BARG A 36 -6.089 -2.365 5.585 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.864 -1.922 4.591 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.482 -2.496 5.177 0.80 0.00 C ATOM 1023 C AARG A 36 -8.876 -1.435 5.624 0.20 0.00 C ATOM 1024 C BARG A 36 -8.417 -1.970 6.263 0.80 0.00 C ATOM 1025 O AARG A 36 -8.801 -1.768 6.807 0.20 0.00 O ATOM 1026 O BARG A 36 -8.540 -2.548 7.343 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.174 -3.366 4.197 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.810 -3.958 4.869 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.582 -3.560 3.658 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.240 -4.176 4.400 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.905 -5.033 3.458 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.716 -5.588 4.701 0.80 0.00 C ATOM 1033 NE AARG A 36 -11.283 -5.347 3.825 0.20 0.00 N ATOM 1034 NE BARG A 36 -10.263 -6.244 3.516 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.924 -6.437 3.416 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.062 -7.304 3.566 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.311 -7.313 2.629 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.404 -7.826 4.736 0.80 0.00 N ATOM 1039 NH2AARG A 36 -13.176 -6.653 3.792 0.20 0.00 N ATOM 1040 NH2BARG A 36 -11.521 -7.845 2.444 0.80 0.00 N ATOM 0 H AARG A 36 -5.981 -2.696 5.096 0.20 0.00 H new ATOM 0 H BARG A 36 -5.572 -3.244 5.607 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.940 -1.288 3.708 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.629 -1.901 4.276 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.457 -3.690 3.443 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.126 -4.321 4.102 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.035 -4.009 5.066 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.634 -4.557 5.763 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.301 -3.119 4.349 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.898 -3.457 4.889 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.686 -3.032 2.710 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.305 -3.990 3.328 0.80 0.00 H new ATOM 0 HD2AARG A 36 -9.738 -5.302 2.415 0.20 0.00 H new ATOM 0 HD2BARG A 36 -8.885 -6.176 5.090 0.80 0.00 H new ATOM 0 HD3AARG A 36 -9.224 -5.638 4.057 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.476 -5.556 5.481 0.80 0.00 H new ATOM 0 HE AARG A 36 -11.781 -4.693 4.429 0.20 0.00 H new ATOM 0 HE BARG A 36 -10.018 -5.868 2.600 0.80 0.00 H new ATOM 0 HH11AARG A 36 -10.347 -7.150 2.338 0.20 0.00 H new ATOM 0 HH11BARG A 36 -11.053 -7.414 5.601 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.804 -8.149 2.316 0.20 0.00 H new ATOM 0 HH12BARG A 36 -12.018 -8.640 4.771 0.80 0.00 H new ATOM 0 HH21AARG A 36 -13.650 -5.982 4.397 0.20 0.00 H new ATOM 0 HH21BARG A 36 -11.260 -7.447 1.542 0.80 0.00 H new ATOM 0 HH22AARG A 36 -13.666 -7.490 3.477 0.20 0.00 H new ATOM 0 HH22BARG A 36 -12.134 -8.659 2.484 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.846 -0.627 5.170 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.092 -0.849 5.970 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.890 -0.080 6.037 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.028 -0.221 6.907 0.80 0.00 C ATOM 1071 C APRO A 37 -11.869 -1.149 6.513 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.295 -1.049 7.106 0.80 0.00 C ATOM 1073 O APRO A 37 -12.260 -2.030 5.749 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.568 -1.974 6.341 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.603 0.933 5.137 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.362 1.113 6.236 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.357 0.449 3.751 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.131 0.873 4.784 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.997 -0.191 3.771 0.20 0.00 C ATOM 1080 CD BPRO A 37 -8.997 -0.109 4.701 0.80 0.00 C ATOM 0 HA APRO A 37 -10.477 0.353 6.948 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.597 -0.117 7.903 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.670 0.976 5.358 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.394 1.407 6.430 0.80 0.00 H new ATOM 0 HB3APRO A 37 -11.207 1.938 5.281 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.726 1.915 6.611 0.80 0.00 H new ATOM 0 HG2APRO A 37 -12.121 -0.267 3.446 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.027 0.475 4.307 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.390 1.273 3.038 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.881 1.801 4.270 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.938 -1.032 3.080 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.101 -0.771 3.841 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.217 0.514 3.483 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.036 0.395 4.601 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.260 -1.062 7.782 0.20 0.00 N ATOM 1096 N BSER A 38 -12.062 -0.709 8.136 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.191 -2.024 8.361 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.297 -1.424 8.436 0.80 0.00 C ATOM 1099 C ASER A 38 -14.593 -1.832 7.792 0.20 0.00 C ATOM 1100 C BSER A 38 -14.433 -0.448 8.724 0.80 0.00 C ATOM 1101 O ASER A 38 -15.177 -2.758 7.228 0.20 0.00 O ATOM 1102 O BSER A 38 -14.216 0.757 8.846 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.221 -1.882 9.884 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.094 -2.355 9.633 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.405 -0.529 10.265 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.272 -3.093 9.910 0.80 0.00 O ATOM 0 H ASER A 38 -11.947 -0.336 8.427 0.20 0.00 H new ATOM 0 H BSER A 38 -11.851 0.056 8.776 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.848 -3.026 8.104 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.565 -2.019 7.563 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.026 -2.492 10.294 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.271 -3.040 9.429 0.80 0.00 H new ATOM 0 HB3ASER A 38 -12.289 -2.259 10.306 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.813 -1.770 10.509 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.423 -0.464 11.243 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.116 -3.682 10.678 0.80 0.00 H new ATOM 1117 N AGLY A 39 -15.129 -0.626 7.946 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.649 -0.978 8.832 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.459 -0.335 7.444 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.800 -0.139 9.104 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.545 -0.701 8.434 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.057 -0.948 9.367 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.652 -1.855 8.851 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.104 -1.673 10.361 0.80 0.00 O ATOM 0 H AGLY A 39 -14.666 0.156 8.410 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.856 -1.972 8.736 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.530 0.727 7.207 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.590 0.492 9.968 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.620 -0.881 6.514 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -16.970 0.526 8.257 0.80 0.00 H new TER 1131 GLY A 39