USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 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= 0.823 K(o=0.55,f=-7.5!) USER MOD Set 1.2: A 29 THR OG1A: rot -93:sc= 0.352 USER MOD Set 1.3: A 29 THR OG1B: rot -166:sc= -0.627 USER MOD Set 2.1: A 13 LYS NZ A:NH3+ -172:sc= 0 (180deg=-0.0666) USER MOD Set 2.2: A 24 TYR OH A: rot 180:sc= 0 USER MOD Single : A 5 SER OG A: rot 180:sc= 0 USER MOD Single : A 5 SER OG B: rot 180:sc= 0 USER MOD Single : A 6 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ 139:sc= -0.569 (180deg=-2.26!) USER MOD Single : A 15 MET CE A:methyl 180:sc= -0.0112 (180deg=-0.0112) USER MOD Single : A 15 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG A: rot 180:sc= 0 USER MOD Single : A 16 SER OG B: rot 180:sc= 0.0185 USER MOD Single : A 18 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.262 K(o=-0.26,f=-1.4!) USER MOD Single : A 19 SER OG A: rot -12:sc= -0.376 USER MOD Single : A 19 SER OG B: rot -110:sc= 0.386 USER MOD Single : A 23 TYR OH A: rot 180:sc= 0 USER MOD Single : A 23 TYR OH B: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 26 ASN B: amide:sc= -2.21 K(o=-2.2,f=-16!) USER MOD Single : A 27 HIS A: no HD1:sc= -2.54 X(o=-2.5,f=-2.5) USER MOD Single : A 27 HIS B: no HD1:sc= 0.43 K(o=0.43,f=-2.2!) USER MOD Single : A 30 ASN A: amide:sc= -0.79 X(o=-0.79,f=-0.65) USER MOD Single : A 30 ASN B:FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.0858 USER MOD Single : A 32 SER OG B: rot -87:sc= 1.93 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN B: amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.0939 USER MOD Single : A 38 SER OG B: rot 180:sc= 0.0862 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -12.987 -1.088 -6.643 0.50 0.00 N ATOM 2 N BSER A 5 -12.540 -1.877 -6.674 0.50 0.00 N ATOM 3 CA ASER A 5 -12.867 -2.474 -7.083 0.50 0.00 C ATOM 4 CA BSER A 5 -12.476 -3.334 -6.653 0.50 0.00 C ATOM 5 C ASER A 5 -13.238 -3.434 -5.957 0.50 0.00 C ATOM 6 C BSER A 5 -12.263 -3.848 -5.234 0.50 0.00 C ATOM 7 O ASER A 5 -13.876 -4.461 -6.185 0.50 0.00 O ATOM 8 O BSER A 5 -11.174 -3.726 -4.672 0.50 0.00 O ATOM 9 CB ASER A 5 -11.443 -2.759 -7.563 0.50 0.00 C ATOM 10 CB BSER A 5 -11.349 -3.828 -7.562 0.50 0.00 C ATOM 11 OG ASER A 5 -11.281 -4.126 -7.896 0.50 0.00 O ATOM 12 OG BSER A 5 -10.860 -5.084 -7.128 0.50 0.00 O ATOM 0 HA ASER A 5 -13.558 -2.627 -7.912 0.50 0.00 H new ATOM 0 HA BSER A 5 -13.426 -3.721 -7.021 0.50 0.00 H new ATOM 0 HB2ASER A 5 -11.218 -2.141 -8.432 0.50 0.00 H new ATOM 0 HB2BSER A 5 -11.713 -3.910 -8.586 0.50 0.00 H new ATOM 0 HB3ASER A 5 -10.732 -2.484 -6.784 0.50 0.00 H new ATOM 0 HB3BSER A 5 -10.537 -3.100 -7.569 0.50 0.00 H new ATOM 0 HG ASER A 5 -10.363 -4.282 -8.201 0.50 0.00 H new ATOM 0 HG BSER A 5 -10.142 -5.380 -7.725 0.50 0.00 H new ATOM 23 N ALYS A 6 -12.832 -3.092 -4.739 0.50 0.00 N ATOM 24 N BLYS A 6 -13.312 -4.423 -4.658 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.121 -3.921 -3.575 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.244 -4.960 -3.303 0.50 0.00 C ATOM 27 C ALYS A 6 -13.142 -3.081 -2.300 0.50 0.00 C ATOM 28 C BLYS A 6 -12.759 -3.897 -2.322 0.50 0.00 C ATOM 29 O ALYS A 6 -12.717 -3.537 -1.239 0.50 0.00 O ATOM 30 O BLYS A 6 -11.563 -3.798 -2.038 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.081 -5.037 -3.447 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.312 -6.173 -3.259 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.273 -6.164 -4.445 0.50 0.00 C ATOM 34 CG BLYS A 6 -12.566 -7.175 -4.370 0.50 0.00 C ATOM 35 CD ALYS A 6 -11.432 -7.378 -4.084 0.50 0.00 C ATOM 36 CD BLYS A 6 -11.544 -8.299 -4.352 0.50 0.00 C ATOM 37 CE ALYS A 6 -12.184 -8.673 -4.342 0.50 0.00 C ATOM 38 CE BLYS A 6 -12.077 -9.526 -3.630 0.50 0.00 C ATOM 39 NZ ALYS A 6 -11.264 -9.844 -4.409 0.50 0.00 N ATOM 40 NZ BLYS A 6 -11.195 -10.710 -3.818 0.50 0.00 N ATOM 0 H ALYS A 6 -12.301 -2.246 -4.532 0.50 0.00 H new ATOM 0 H BLYS A 6 -14.221 -4.530 -5.108 0.50 0.00 H new ATOM 0 HA ALYS A 6 -14.107 -4.366 -3.712 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.247 -5.270 -3.010 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -11.086 -4.612 -3.579 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -11.279 -5.830 -3.320 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -12.122 -5.446 -2.437 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -12.425 -6.673 -2.297 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -13.325 -6.446 -4.479 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -13.568 -7.591 -4.264 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.004 -5.817 -5.443 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -12.533 -6.667 -5.334 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -10.510 -7.369 -4.666 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -11.276 -8.565 -5.375 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -11.147 -7.325 -3.033 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -10.632 -7.955 -3.863 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -12.917 -8.831 -3.551 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -12.170 -9.309 -2.566 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -12.737 -8.592 -5.278 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -13.077 -9.757 -3.997 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -11.815 -10.708 -4.586 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -11.594 -11.525 -3.310 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -10.580 -9.705 -5.180 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -11.126 -10.934 -4.831 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -10.754 -9.937 -3.507 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -10.247 -10.500 -3.445 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.641 -1.855 -2.414 0.50 0.00 N ATOM 68 N BLEU A 7 -13.692 -3.106 -1.805 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.719 -0.953 -1.271 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.360 -2.051 -0.855 0.50 0.00 C ATOM 71 C ALEU A 7 -15.169 -0.603 -0.953 0.50 0.00 C ATOM 72 C BLEU A 7 -14.622 -1.388 -0.311 0.50 0.00 C ATOM 73 O ALEU A 7 -16.051 -0.666 -1.808 0.50 0.00 O ATOM 74 O BLEU A 7 -15.676 -1.391 -0.949 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.921 0.323 -1.547 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.464 -1.003 -1.515 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.430 0.268 -1.212 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.067 -0.263 -2.710 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.793 -0.972 -1.817 0.50 0.00 C ATOM 80 CD1BLEU A 7 -13.777 1.001 -2.252 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.727 1.526 -1.705 0.50 0.00 C ATOM 82 CD2BLEU A 7 -11.989 0.070 -3.732 0.50 0.00 C ATOM 0 H ALEU A 7 -13.997 -1.463 -3.286 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.685 -3.175 -2.028 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.290 -1.461 -0.408 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.823 -2.505 -0.022 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -13.027 0.572 -2.603 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -12.183 -0.267 -0.761 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.370 1.138 -0.980 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.546 -1.492 -1.841 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.321 0.215 -0.129 0.50 0.00 H new ATOM 0 HG BLEU A 7 -13.800 -0.916 -3.184 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.732 -0.994 -1.568 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -14.200 1.514 -3.116 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.278 -1.862 -1.417 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -14.576 0.739 -1.559 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -10.911 -0.950 -2.900 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -13.065 1.658 -1.752 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.667 1.471 -1.458 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.437 0.596 -4.575 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.845 1.609 -2.785 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.232 0.704 -3.269 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -11.166 2.400 -1.224 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -11.525 -0.851 -4.084 0.50 0.00 H new ATOM 105 N APRO A 8 -15.422 -0.219 0.309 0.50 0.00 N ATOM 106 N BPRO A 8 -14.516 -0.804 0.890 0.50 0.00 N ATOM 107 CA APRO A 8 -16.764 0.153 0.767 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.639 -0.124 1.543 0.50 0.00 C ATOM 109 C APRO A 8 -17.237 1.473 0.167 0.50 0.00 C ATOM 110 C BPRO A 8 -16.019 1.173 0.839 0.50 0.00 C ATOM 111 O APRO A 8 -16.486 2.182 -0.504 0.50 0.00 O ATOM 112 O BPRO A 8 -15.243 1.741 0.070 0.50 0.00 O ATOM 113 CB APRO A 8 -16.595 0.285 2.283 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.108 0.166 2.949 0.50 0.00 C ATOM 115 CG APRO A 8 -15.153 0.601 2.478 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.627 0.221 2.792 0.50 0.00 C ATOM 117 CD APRO A 8 -14.419 -0.120 1.381 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.290 -0.762 1.705 0.50 0.00 C ATOM 0 HA APRO A 8 -17.515 -0.579 0.469 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.545 -0.729 1.531 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.231 1.074 2.685 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.500 1.107 3.334 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.871 -0.638 2.794 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.403 -0.613 3.652 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.978 1.676 2.424 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.300 1.226 2.525 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.810 0.271 3.459 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.126 -0.040 3.724 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.537 0.433 1.057 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.430 -0.435 1.120 0.50 0.00 H new ATOM 0 HD3APRO A 8 -14.078 -1.103 1.704 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.045 -1.743 2.112 0.50 0.00 H new ATOM 133 N APRO A 9 -18.511 1.813 0.412 0.50 0.00 N ATOM 134 N BPRO A 9 -17.241 1.656 1.105 0.50 0.00 N ATOM 135 CA APRO A 9 -19.112 3.050 -0.093 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.752 2.894 0.506 0.50 0.00 C ATOM 137 C APRO A 9 -18.547 4.291 0.590 0.50 0.00 C ATOM 138 C BPRO A 9 -17.040 4.132 1.040 0.50 0.00 C ATOM 139 O APRO A 9 -18.807 4.537 1.765 0.50 0.00 O ATOM 140 O BPRO A 9 -16.651 4.181 2.206 0.50 0.00 O ATOM 141 CB APRO A 9 -20.596 2.885 0.239 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.227 2.904 0.917 0.50 0.00 C ATOM 143 CG APRO A 9 -20.624 1.951 1.400 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.277 2.088 2.163 0.50 0.00 C ATOM 145 CD APRO A 9 -19.463 1.015 1.204 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.221 1.031 2.010 0.50 0.00 C ATOM 0 HA APRO A 9 -18.913 3.196 -1.155 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.597 2.921 -0.573 0.50 0.00 H new ATOM 0 HB2APRO A 9 -21.054 3.842 0.490 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.582 3.919 1.094 0.50 0.00 H new ATOM 0 HB3APRO A 9 -21.148 2.479 -0.609 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.858 2.477 0.138 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.533 2.494 2.341 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.087 2.705 3.041 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.565 1.403 1.438 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.261 1.639 2.296 0.50 0.00 H new ATOM 0 HD2APRO A 9 -19.032 0.704 2.156 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.773 0.769 2.968 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.762 0.108 0.678 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.630 0.113 1.588 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.771 5.071 -0.159 0.50 0.00 N ATOM 162 N BGLY A 10 -16.874 5.131 0.179 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.183 6.278 0.392 0.50 0.00 C ATOM 164 CA BGLY A 10 -16.211 6.357 0.584 0.50 0.00 C ATOM 165 C AGLY A 10 -15.686 6.347 0.164 0.50 0.00 C ATOM 166 C BGLY A 10 -14.712 6.306 0.355 0.50 0.00 C ATOM 167 O AGLY A 10 -15.114 7.435 0.087 0.50 0.00 O ATOM 168 O BGLY A 10 -14.078 7.338 0.135 0.50 0.00 O ATOM 0 H AGLY A 10 -17.540 4.888 -1.136 0.50 0.00 H new ATOM 0 H BGLY A 10 -17.187 5.113 -0.792 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.657 7.149 -0.060 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.632 7.195 0.029 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.387 6.323 1.462 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.409 6.542 1.640 0.50 0.00 H new ATOM 175 N ATRP A 11 -15.051 5.187 0.058 0.50 0.00 N ATOM 176 N BTRP A 11 -14.148 5.107 0.410 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.610 5.122 -0.160 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.715 4.927 0.210 0.50 0.00 C ATOM 179 C ATRP A 11 -13.287 5.072 -1.650 0.50 0.00 C ATOM 180 C BTRP A 11 -12.395 4.699 -1.265 0.50 0.00 C ATOM 181 O ATRP A 11 -14.137 4.723 -2.467 0.50 0.00 O ATOM 182 O BTRP A 11 -13.095 3.956 -1.952 0.50 0.00 O ATOM 183 CB ATRP A 11 -13.022 3.897 0.542 0.50 0.00 C ATOM 184 CB BTRP A 11 -12.206 3.749 1.041 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.726 4.129 1.994 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.503 3.884 2.505 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.601 4.014 3.037 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.679 3.591 3.132 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.471 4.519 2.562 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.609 4.348 3.522 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.966 4.308 4.219 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.571 3.846 4.478 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.658 4.620 3.955 0.50 0.00 C ATOM 194 CE2BTRP A 11 -12.311 4.309 4.743 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.208 4.791 2.029 0.50 0.00 C ATOM 196 CE3BTRP A 11 -10.282 4.789 3.521 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.628 4.982 4.819 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.729 4.696 5.947 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.187 5.149 2.889 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.709 5.174 4.717 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.402 5.243 4.272 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.429 5.124 5.916 0.50 0.00 C ATOM 0 H ATRP A 11 -15.510 4.278 0.119 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.660 4.244 0.591 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.163 6.023 0.260 0.50 0.00 H new ATOM 0 HA BTRP A 11 -12.212 5.837 0.536 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.719 3.064 0.449 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.657 2.829 0.669 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.104 3.602 0.034 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -11.129 3.654 0.903 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.640 3.733 2.946 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.565 3.214 2.642 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.398 4.296 5.143 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -14.310 3.712 5.168 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.033 4.723 0.965 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.716 4.828 2.602 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.791 5.054 5.884 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -12.284 4.660 6.873 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.206 5.360 2.489 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.686 5.520 4.727 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.584 5.527 4.917 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.950 5.429 6.835 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.052 5.424 -1.995 0.50 0.00 N ATOM 224 N BGLU A 12 -11.334 5.341 -1.742 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.618 5.418 -3.387 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.926 5.207 -3.135 0.50 0.00 C ATOM 227 C AGLU A 12 -10.279 4.704 -3.539 0.50 0.00 C ATOM 228 C BGLU A 12 -9.602 4.455 -3.243 0.50 0.00 C ATOM 229 O AGLU A 12 -9.316 5.009 -2.832 0.50 0.00 O ATOM 230 O BGLU A 12 -8.630 4.782 -2.561 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.507 6.851 -3.914 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.795 6.586 -3.788 0.50 0.00 C ATOM 233 CG AGLU A 12 -12.774 7.670 -3.727 0.50 0.00 C ATOM 234 CG BGLU A 12 -11.649 6.754 -5.033 0.50 0.00 C ATOM 235 CD AGLU A 12 -13.391 8.098 -5.043 0.50 0.00 C ATOM 236 CD BGLU A 12 -11.513 8.131 -5.652 0.50 0.00 C ATOM 237 OE1AGLU A 12 -13.835 7.215 -5.805 0.50 0.00 O ATOM 238 OE1BGLU A 12 -12.478 8.586 -6.301 0.50 0.00 O ATOM 239 OE2AGLU A 12 -13.431 9.318 -5.311 0.50 0.00 O ATOM 240 OE2BGLU A 12 -10.443 8.752 -5.488 0.50 0.00 O ATOM 0 H AGLU A 12 -11.336 5.716 -1.330 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.742 5.958 -1.186 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.364 4.879 -3.971 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.694 4.637 -3.658 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -10.683 7.352 -3.407 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -11.072 7.350 -3.062 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -11.258 6.821 -4.975 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -9.751 6.758 -4.048 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -13.500 7.085 -3.163 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -11.366 6.000 -5.768 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.546 8.555 -3.132 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -12.694 6.575 -4.779 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.223 3.752 -4.463 0.50 0.00 N ATOM 254 N BLYS A 13 -9.571 3.444 -4.106 0.50 0.00 N ATOM 255 CA ALYS A 13 -9.004 2.994 -4.708 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.368 2.645 -4.305 0.50 0.00 C ATOM 257 C ALYS A 13 -8.077 3.745 -5.660 0.50 0.00 C ATOM 258 C BLYS A 13 -7.588 3.129 -5.523 0.50 0.00 C ATOM 259 O ALYS A 13 -8.453 4.052 -6.792 0.50 0.00 O ATOM 260 O BLYS A 13 -8.019 2.944 -6.662 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.341 1.617 -5.289 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.735 1.169 -4.476 0.50 0.00 C ATOM 263 CG ALYS A 13 -8.125 0.737 -5.513 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.542 0.272 -4.755 0.50 0.00 C ATOM 265 CD ALYS A 13 -8.480 -0.737 -5.414 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.975 -1.110 -5.214 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.421 -1.610 -6.073 0.50 0.00 C ATOM 268 CE BLYS A 13 -7.050 -2.191 -4.678 0.50 0.00 C ATOM 269 NZ ALYS A 13 -6.825 -2.580 -5.114 0.50 0.00 N ATOM 270 NZ BLYS A 13 -6.119 -2.693 -5.727 0.50 0.00 N ATOM 0 H ALYS A 13 -11.010 3.487 -5.056 0.50 0.00 H new ATOM 0 H BLYS A 13 -10.366 3.159 -4.678 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.491 2.864 -3.755 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.737 2.758 -3.423 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -10.029 1.106 -4.615 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -9.236 0.821 -3.573 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.862 1.750 -6.237 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.449 1.074 -5.294 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.700 0.945 -6.495 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.913 0.729 -5.519 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -7.359 0.978 -4.776 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.935 0.183 -3.854 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.584 -1.018 -4.366 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -8.994 -1.303 -4.879 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -9.445 -0.913 -5.889 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -7.985 -1.146 -6.303 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -7.865 -2.152 -6.908 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.475 -1.795 -3.841 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.635 -0.978 -6.485 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -7.644 -3.020 -4.293 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -6.019 -3.060 -5.562 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -5.173 -2.827 -5.316 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -6.499 -2.074 -4.266 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -6.468 -3.600 -6.096 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -7.540 -3.284 -4.843 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -6.065 -2.002 -6.502 0.50 0.00 H new ATOM 297 N AARG A 14 -6.867 4.035 -5.195 0.50 0.00 N ATOM 298 N BARG A 14 -6.439 3.749 -5.276 0.50 0.00 N ATOM 299 CA AARG A 14 -5.888 4.751 -6.006 0.50 0.00 C ATOM 300 CA BARG A 14 -5.599 4.260 -6.352 0.50 0.00 C ATOM 301 C AARG A 14 -4.617 3.925 -6.176 0.50 0.00 C ATOM 302 C BARG A 14 -4.159 3.778 -6.193 0.50 0.00 C ATOM 303 O AARG A 14 -4.378 2.974 -5.432 0.50 0.00 O ATOM 304 O BARG A 14 -3.731 3.425 -5.095 0.50 0.00 O ATOM 305 CB AARG A 14 -5.552 6.099 -5.365 0.50 0.00 C ATOM 306 CB BARG A 14 -5.637 5.788 -6.374 0.50 0.00 C ATOM 307 CG AARG A 14 -6.775 6.938 -5.035 0.50 0.00 C ATOM 308 CG BARG A 14 -7.041 6.365 -6.294 0.50 0.00 C ATOM 309 CD AARG A 14 -6.885 8.148 -5.949 0.50 0.00 C ATOM 310 CD BARG A 14 -7.267 7.433 -7.352 0.50 0.00 C ATOM 311 NE AARG A 14 -7.155 7.765 -7.333 0.50 0.00 N ATOM 312 NE BARG A 14 -8.687 7.699 -7.566 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.368 7.475 -7.790 0.50 0.00 C ATOM 314 CZ BARG A 14 -9.176 8.218 -8.688 0.50 0.00 C ATOM 315 NH1AARG A 14 -9.416 7.522 -6.980 0.50 0.00 N ATOM 316 NH1BARG A 14 -8.366 8.523 -9.691 0.50 0.00 N ATOM 317 NH2AARG A 14 -8.533 7.134 -9.063 0.50 0.00 N ATOM 318 NH2BARG A 14 -10.481 8.432 -8.807 0.50 0.00 N ATOM 0 H AARG A 14 -6.540 3.786 -4.261 0.50 0.00 H new ATOM 0 H BARG A 14 -6.068 3.910 -4.339 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.323 4.923 -6.990 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.989 3.880 -7.296 0.50 0.00 H new ATOM 0 HB2AARG A 14 -4.984 5.926 -4.451 0.50 0.00 H new ATOM 0 HB2BARG A 14 -5.049 6.169 -5.539 0.50 0.00 H new ATOM 0 HB3AARG A 14 -4.907 6.662 -6.040 0.50 0.00 H new ATOM 0 HB3BARG A 14 -5.160 6.141 -7.288 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.673 6.327 -5.129 0.50 0.00 H new ATOM 0 HG2BARG A 14 -7.771 5.566 -6.421 0.50 0.00 H new ATOM 0 HG3AARG A 14 -6.722 7.268 -3.998 0.50 0.00 H new ATOM 0 HG3BARG A 14 -7.204 6.792 -5.304 0.50 0.00 H new ATOM 0 HD2AARG A 14 -7.681 8.801 -5.592 0.50 0.00 H new ATOM 0 HD2BARG A 14 -6.767 8.354 -7.051 0.50 0.00 H new ATOM 0 HD3AARG A 14 -5.959 8.721 -5.905 0.50 0.00 H new ATOM 0 HD3BARG A 14 -6.812 7.116 -8.290 0.50 0.00 H new ATOM 0 HE AARG A 14 -6.370 7.718 -7.983 0.50 0.00 H new ATOM 0 HE BARG A 14 -9.339 7.474 -6.814 0.50 0.00 H new ATOM 0 HH11AARG A 14 -9.293 7.782 -6.001 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.363 8.360 -9.604 0.50 0.00 H new ATOM 0 HH12AARG A 14 -10.346 7.299 -7.335 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.745 8.921 -10.550 0.50 0.00 H new ATOM 0 HH21AARG A 14 -7.729 7.095 -9.689 0.50 0.00 H new ATOM 0 HH21BARG A 14 -11.108 8.198 -8.038 0.50 0.00 H new ATOM 0 HH22AARG A 14 -9.464 6.911 -9.415 0.50 0.00 H new ATOM 0 HH22BARG A 14 -10.856 8.830 -9.668 0.50 0.00 H new ATOM 345 N AMET A 15 -3.805 4.294 -7.161 0.50 0.00 N ATOM 346 N BMET A 15 -3.421 3.766 -7.298 0.50 0.00 N ATOM 347 CA AMET A 15 -2.557 3.588 -7.429 0.50 0.00 C ATOM 348 CA BMET A 15 -2.029 3.328 -7.281 0.50 0.00 C ATOM 349 C AMET A 15 -1.400 4.569 -7.584 0.50 0.00 C ATOM 350 C BMET A 15 -1.101 4.451 -7.735 0.50 0.00 C ATOM 351 O AMET A 15 -1.568 5.662 -8.124 0.50 0.00 O ATOM 352 O BMET A 15 -1.332 5.081 -8.767 0.50 0.00 O ATOM 353 CB AMET A 15 -2.691 2.734 -8.692 0.50 0.00 C ATOM 354 CB BMET A 15 -1.848 2.105 -8.180 0.50 0.00 C ATOM 355 CG AMET A 15 -1.867 1.458 -8.652 0.50 0.00 C ATOM 356 CG BMET A 15 -0.719 1.187 -7.736 0.50 0.00 C ATOM 357 SD AMET A 15 -0.475 1.494 -9.797 0.50 0.00 S ATOM 358 SD BMET A 15 -1.152 -0.559 -7.864 0.50 0.00 S ATOM 359 CE AMET A 15 -0.117 -0.255 -9.951 0.50 0.00 C ATOM 360 CE BMET A 15 -0.694 -0.897 -9.562 0.50 0.00 C ATOM 0 H AMET A 15 -3.989 5.078 -7.787 0.50 0.00 H new ATOM 0 H BMET A 15 -3.762 4.054 -8.215 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.346 2.938 -6.580 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.770 3.059 -6.257 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.740 2.475 -8.836 0.50 0.00 H new ATOM 0 HB2BMET A 15 -2.779 1.539 -8.201 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.387 3.326 -9.555 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.655 2.439 -9.199 0.50 0.00 H new ATOM 0 HG2AMET A 15 -1.495 1.302 -7.639 0.50 0.00 H new ATOM 0 HG2BMET A 15 0.164 1.384 -8.344 0.50 0.00 H new ATOM 0 HG3AMET A 15 -2.507 0.609 -8.891 0.50 0.00 H new ATOM 0 HG3BMET A 15 -0.454 1.417 -6.704 0.50 0.00 H new ATOM 0 HE1AMET A 15 0.724 -0.396 -10.630 0.50 0.00 H new ATOM 0 HE1BMET A 15 -0.903 -1.941 -9.794 0.50 0.00 H new ATOM 0 HE2AMET A 15 0.135 -0.662 -8.972 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.270 -0.255 -10.229 0.50 0.00 H new ATOM 0 HE3AMET A 15 -0.992 -0.772 -10.345 0.50 0.00 H new ATOM 0 HE3BMET A 15 0.369 -0.701 -9.698 0.50 0.00 H new ATOM 379 N ASER A 16 -0.224 4.171 -7.107 0.50 0.00 N ATOM 380 N BSER A 16 -0.052 4.695 -6.958 0.50 0.00 N ATOM 381 CA ASER A 16 0.959 5.018 -7.189 0.50 0.00 C ATOM 382 CA BSER A 16 0.910 5.744 -7.278 0.50 0.00 C ATOM 383 C ASER A 16 1.625 4.889 -8.555 0.50 0.00 C ATOM 384 C BSER A 16 2.027 5.203 -8.167 0.50 0.00 C ATOM 385 O ASER A 16 1.273 4.017 -9.350 0.50 0.00 O ATOM 386 O BSER A 16 2.572 4.130 -7.914 0.50 0.00 O ATOM 387 CB ASER A 16 1.954 4.646 -6.087 0.50 0.00 C ATOM 388 CB BSER A 16 1.501 6.332 -5.997 0.50 0.00 C ATOM 389 OG ASER A 16 2.249 5.764 -5.268 0.50 0.00 O ATOM 390 OG BSER A 16 1.824 5.310 -5.069 0.50 0.00 O ATOM 0 H ASER A 16 -0.066 3.268 -6.660 0.50 0.00 H new ATOM 0 H BSER A 16 0.154 4.181 -6.102 0.50 0.00 H new ATOM 0 HA ASER A 16 0.646 6.053 -7.053 0.50 0.00 H new ATOM 0 HA BSER A 16 0.386 6.531 -7.821 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.542 3.843 -5.476 0.50 0.00 H new ATOM 0 HB2BSER A 16 2.396 6.907 -6.236 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.873 4.267 -6.535 0.50 0.00 H new ATOM 0 HB3BSER A 16 0.788 7.024 -5.548 0.50 0.00 H new ATOM 0 HG ASER A 16 2.885 5.500 -4.571 0.50 0.00 H new ATOM 0 HG BSER A 16 2.202 5.711 -4.259 0.50 0.00 H new ATOM 401 N AARG A 17 2.590 5.764 -8.822 0.50 0.00 N ATOM 402 N BARG A 17 2.362 5.958 -9.208 0.50 0.00 N ATOM 403 CA AARG A 17 3.304 5.751 -10.093 0.50 0.00 C ATOM 404 CA BARG A 17 3.413 5.556 -10.135 0.50 0.00 C ATOM 405 C AARG A 17 4.813 5.745 -9.866 0.50 0.00 C ATOM 406 C BARG A 17 4.737 5.357 -9.404 0.50 0.00 C ATOM 407 O AARG A 17 5.538 6.561 -10.435 0.50 0.00 O ATOM 408 O BARG A 17 4.796 5.424 -8.177 0.50 0.00 O ATOM 409 CB AARG A 17 2.907 6.962 -10.938 0.50 0.00 C ATOM 410 CB BARG A 17 3.579 6.605 -11.237 0.50 0.00 C ATOM 411 CG AARG A 17 3.402 6.892 -12.373 0.50 0.00 C ATOM 412 CG BARG A 17 4.367 7.829 -10.799 0.50 0.00 C ATOM 413 CD AARG A 17 3.535 8.278 -12.986 0.50 0.00 C ATOM 414 CD BARG A 17 4.097 9.019 -11.705 0.50 0.00 C ATOM 415 NE AARG A 17 4.522 9.094 -12.285 0.50 0.00 N ATOM 416 NE BARG A 17 4.213 8.668 -13.118 0.50 0.00 N ATOM 417 CZ AARG A 17 5.111 10.156 -12.823 0.50 0.00 C ATOM 418 CZ BARG A 17 4.015 9.532 -14.107 0.50 0.00 C ATOM 419 NH1AARG A 17 4.812 10.529 -14.060 0.50 0.00 N ATOM 420 NH1BARG A 17 3.693 10.792 -13.840 0.50 0.00 N ATOM 421 NH2AARG A 17 6.000 10.848 -12.121 0.50 0.00 N ATOM 422 NH2BARG A 17 4.139 9.138 -15.368 0.50 0.00 N ATOM 0 H AARG A 17 2.895 6.491 -8.175 0.50 0.00 H new ATOM 0 H BARG A 17 1.921 6.851 -9.431 0.50 0.00 H new ATOM 0 HA AARG A 17 3.031 4.841 -10.627 0.50 0.00 H new ATOM 0 HA BARG A 17 3.121 4.608 -10.586 0.50 0.00 H new ATOM 0 HB2AARG A 17 1.821 7.052 -10.941 0.50 0.00 H new ATOM 0 HB2BARG A 17 4.080 6.147 -12.090 0.50 0.00 H new ATOM 0 HB3AARG A 17 3.300 7.865 -10.471 0.50 0.00 H new ATOM 0 HB3BARG A 17 2.593 6.921 -11.578 0.50 0.00 H new ATOM 0 HG2AARG A 17 4.367 6.386 -12.402 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.103 8.085 -9.773 0.50 0.00 H new ATOM 0 HG3AARG A 17 2.711 6.295 -12.968 0.50 0.00 H new ATOM 0 HG3BARG A 17 5.432 7.599 -10.807 0.50 0.00 H new ATOM 0 HD2AARG A 17 3.820 8.185 -14.034 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.097 9.405 -11.508 0.50 0.00 H new ATOM 0 HD3AARG A 17 2.567 8.779 -12.962 0.50 0.00 H new ATOM 0 HD3BARG A 17 4.799 9.819 -11.471 0.50 0.00 H new ATOM 0 HE AARG A 17 4.773 8.835 -11.331 0.50 0.00 H new ATOM 0 HE BARG A 17 4.459 7.708 -13.358 0.50 0.00 H new ATOM 0 HH11AARG A 17 4.128 10.000 -14.601 0.50 0.00 H new ATOM 0 HH11BARG A 17 3.597 11.100 -12.872 0.50 0.00 H new ATOM 0 HH12AARG A 17 5.266 11.345 -14.470 0.50 0.00 H new ATOM 0 HH12BARG A 17 3.542 11.452 -14.603 0.50 0.00 H new ATOM 0 HH21AARG A 17 6.231 10.564 -11.169 0.50 0.00 H new ATOM 0 HH21BARG A 17 4.386 8.171 -15.578 0.50 0.00 H new ATOM 0 HH22AARG A 17 6.453 11.664 -12.534 0.50 0.00 H new ATOM 0 HH22BARG A 17 3.987 9.802 -16.127 0.50 0.00 H new ATOM 449 N AASN A 18 5.279 4.823 -9.032 0.50 0.00 N ATOM 450 N BASN A 18 5.797 5.112 -10.167 0.50 0.00 N ATOM 451 CA AASN A 18 6.703 4.712 -8.732 0.50 0.00 C ATOM 452 CA BASN A 18 7.121 4.902 -9.589 0.50 0.00 C ATOM 453 C AASN A 18 7.085 3.265 -8.438 0.50 0.00 C ATOM 454 C BASN A 18 7.192 3.559 -8.866 0.50 0.00 C ATOM 455 O AASN A 18 8.124 2.783 -8.890 0.50 0.00 O ATOM 456 O BASN A 18 7.802 2.609 -9.356 0.50 0.00 O ATOM 457 CB AASN A 18 7.062 5.600 -7.538 0.50 0.00 C ATOM 458 CB BASN A 18 7.465 6.034 -8.623 0.50 0.00 C ATOM 459 CG AASN A 18 8.289 6.450 -7.800 0.50 0.00 C ATOM 460 CG BASN A 18 8.693 6.812 -9.055 0.50 0.00 C ATOM 461 OD1AASN A 18 9.410 5.944 -7.850 0.50 0.00 O ATOM 462 OD1BASN A 18 9.556 6.288 -9.759 0.50 0.00 O ATOM 463 ND2AASN A 18 8.082 7.752 -7.968 0.50 0.00 N ATOM 464 ND2BASN A 18 8.777 8.068 -8.633 0.50 0.00 N ATOM 0 H AASN A 18 4.692 4.141 -8.551 0.50 0.00 H new ATOM 0 H BASN A 18 5.766 5.054 -11.185 0.50 0.00 H new ATOM 0 HA AASN A 18 7.262 5.045 -9.606 0.50 0.00 H new ATOM 0 HA BASN A 18 7.848 4.896 -10.401 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.218 6.248 -7.303 0.50 0.00 H new ATOM 0 HB2BASN A 18 6.616 6.714 -8.547 0.50 0.00 H new ATOM 0 HB3AASN A 18 7.237 4.974 -6.663 0.50 0.00 H new ATOM 0 HB3BASN A 18 7.632 5.621 -7.628 0.50 0.00 H new ATOM 0 HD21AASN A 18 8.870 8.375 -8.147 0.50 0.00 H new ATOM 0 HD21BASN A 18 9.581 8.640 -8.891 0.50 0.00 H new ATOM 0 HD22AASN A 18 7.135 8.128 -7.918 0.50 0.00 H new ATOM 0 HD22BASN A 18 8.037 8.461 -8.051 0.50 0.00 H new ATOM 477 N ASER A 19 6.239 2.577 -7.678 0.50 0.00 N ATOM 478 N BSER A 19 6.564 3.492 -7.697 0.50 0.00 N ATOM 479 CA ASER A 19 6.489 1.185 -7.320 0.50 0.00 C ATOM 480 CA BSER A 19 6.558 2.268 -6.903 0.50 0.00 C ATOM 481 C ASER A 19 5.195 0.378 -7.339 0.50 0.00 C ATOM 482 C BSER A 19 5.374 1.383 -7.277 0.50 0.00 C ATOM 483 O ASER A 19 5.076 -0.641 -6.660 0.50 0.00 O ATOM 484 O BSER A 19 5.461 0.156 -7.230 0.50 0.00 O ATOM 485 CB ASER A 19 7.137 1.102 -5.938 0.50 0.00 C ATOM 486 CB BSER A 19 6.509 2.603 -5.411 0.50 0.00 C ATOM 487 OG ASER A 19 6.263 1.587 -4.934 0.50 0.00 O ATOM 488 OG BSER A 19 5.283 3.225 -5.068 0.50 0.00 O ATOM 0 H ASER A 19 5.374 2.961 -7.298 0.50 0.00 H new ATOM 0 H BSER A 19 6.053 4.269 -7.279 0.50 0.00 H new ATOM 0 HA ASER A 19 7.170 0.761 -8.058 0.50 0.00 H new ATOM 0 HA BSER A 19 7.477 1.722 -7.115 0.50 0.00 H new ATOM 0 HB2ASER A 19 7.407 0.068 -5.721 0.50 0.00 H new ATOM 0 HB2BSER A 19 6.634 1.692 -4.826 0.50 0.00 H new ATOM 0 HB3ASER A 19 8.061 1.681 -5.931 0.50 0.00 H new ATOM 0 HB3BSER A 19 7.339 3.262 -5.156 0.50 0.00 H new ATOM 0 HG ASER A 19 5.508 2.049 -5.353 0.50 0.00 H new ATOM 0 HG BSER A 19 5.444 4.167 -4.850 0.50 0.00 H new ATOM 499 N AGLY A 20 4.226 0.843 -8.121 0.50 0.00 N ATOM 500 N BGLY A 20 4.265 2.015 -7.648 0.50 0.00 N ATOM 501 CA AGLY A 20 2.953 0.152 -8.214 0.50 0.00 C ATOM 502 CA BGLY A 20 3.077 1.272 -8.024 0.50 0.00 C ATOM 503 C AGLY A 20 2.374 -0.181 -6.854 0.50 0.00 C ATOM 504 C BGLY A 20 2.388 0.635 -6.833 0.50 0.00 C ATOM 505 O AGLY A 20 1.669 -1.178 -6.700 0.50 0.00 O ATOM 506 O BGLY A 20 1.871 -0.478 -6.927 0.50 0.00 O ATOM 0 H AGLY A 20 4.299 1.685 -8.692 0.50 0.00 H new ATOM 0 H BGLY A 20 4.168 3.029 -7.695 0.50 0.00 H new ATOM 0 HA2AGLY A 20 2.246 0.772 -8.765 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.379 1.940 -8.528 0.50 0.00 H new ATOM 0 HA3AGLY A 20 3.083 -0.767 -8.785 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.349 0.496 -8.740 0.50 0.00 H new ATOM 513 N AARG A 21 2.672 0.654 -5.865 0.50 0.00 N ATOM 514 N BARG A 21 2.385 1.342 -5.708 0.50 0.00 N ATOM 515 CA AARG A 21 2.179 0.440 -4.509 0.50 0.00 C ATOM 516 CA BARG A 21 1.759 0.838 -4.490 0.50 0.00 C ATOM 517 C AARG A 21 0.727 0.893 -4.382 0.50 0.00 C ATOM 518 C BARG A 21 0.335 1.373 -4.352 0.50 0.00 C ATOM 519 O AARG A 21 0.400 2.050 -4.644 0.50 0.00 O ATOM 520 O BARG A 21 0.118 2.583 -4.294 0.50 0.00 O ATOM 521 CB AARG A 21 3.048 1.195 -3.501 0.50 0.00 C ATOM 522 CB BARG A 21 2.585 1.232 -3.265 0.50 0.00 C ATOM 523 CG AARG A 21 3.754 0.289 -2.507 0.50 0.00 C ATOM 524 CG BARG A 21 3.636 0.203 -2.885 0.50 0.00 C ATOM 525 CD AARG A 21 4.999 0.950 -1.936 0.50 0.00 C ATOM 526 CD BARG A 21 4.987 0.854 -2.632 0.50 0.00 C ATOM 527 NE AARG A 21 4.677 2.152 -1.170 0.50 0.00 N ATOM 528 NE BARG A 21 5.015 1.581 -1.365 0.50 0.00 N ATOM 529 CZ AARG A 21 4.726 3.379 -1.676 0.50 0.00 C ATOM 530 CZ BARG A 21 4.885 2.900 -1.271 0.50 0.00 C ATOM 531 NH1AARG A 21 5.081 3.566 -2.941 0.50 0.00 N ATOM 532 NH1BARG A 21 4.716 3.632 -2.364 0.50 0.00 N ATOM 533 NH2AARG A 21 4.419 4.423 -0.917 0.50 0.00 N ATOM 534 NH2BARG A 21 4.921 3.488 -0.082 0.50 0.00 N ATOM 0 H AARG A 21 3.252 1.485 -5.976 0.50 0.00 H new ATOM 0 H BARG A 21 2.809 2.265 -5.614 0.50 0.00 H new ATOM 0 HA AARG A 21 2.231 -0.628 -4.295 0.50 0.00 H new ATOM 0 HA BARG A 21 1.717 -0.249 -4.555 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.794 1.778 -4.042 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.076 2.186 -3.459 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.425 1.903 -2.955 0.50 0.00 H new ATOM 0 HB3BARG A 21 1.915 1.385 -2.419 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.071 0.035 -1.696 0.50 0.00 H new ATOM 0 HG2BARG A 21 3.316 -0.333 -1.991 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.029 -0.645 -2.996 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.730 -0.534 -3.682 0.50 0.00 H new ATOM 0 HD2AARG A 21 5.524 0.242 -1.295 0.50 0.00 H new ATOM 0 HD2BARG A 21 5.763 0.089 -2.628 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.678 1.209 -2.749 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.218 1.539 -3.448 0.50 0.00 H new ATOM 0 HE AARG A 21 4.400 2.043 -0.194 0.50 0.00 H new ATOM 0 HE BARG A 21 5.141 1.047 -0.505 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.317 2.766 -3.528 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.686 3.183 -3.279 0.50 0.00 H new ATOM 0 HH12AARG A 21 5.118 4.510 -3.326 0.50 0.00 H new ATOM 0 HH12BARG A 21 4.616 4.644 -2.289 0.50 0.00 H new ATOM 0 HH21AARG A 21 4.145 4.284 0.056 0.50 0.00 H new ATOM 0 HH21BARG A 21 5.049 2.927 0.761 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.457 5.365 -1.306 0.50 0.00 H new ATOM 0 HH22BARG A 21 4.821 4.501 -0.011 0.50 0.00 H new ATOM 561 N AVAL A 22 -0.141 -0.031 -3.977 0.50 0.00 N ATOM 562 N BVAL A 22 -0.631 0.461 -4.298 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.558 0.272 -3.817 0.50 0.00 C ATOM 564 CA BVAL A 22 -2.032 0.841 -4.165 0.50 0.00 C ATOM 565 C AVAL A 22 -1.816 1.014 -2.509 0.50 0.00 C ATOM 566 C BVAL A 22 -2.367 1.209 -2.724 0.50 0.00 C ATOM 567 O AVAL A 22 -1.254 0.672 -1.469 0.50 0.00 O ATOM 568 O BVAL A 22 -1.850 0.608 -1.783 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.413 -1.009 -3.843 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.967 -0.295 -4.624 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.883 -0.676 -3.635 0.50 0.00 C ATOM 572 CG1BVAL A 22 -3.234 -1.262 -3.482 0.50 0.00 C ATOM 573 CG2AVAL A 22 -2.206 -1.759 -5.150 0.50 0.00 C ATOM 574 CG2BVAL A 22 -4.270 0.275 -5.167 0.50 0.00 C ATOM 0 H AVAL A 22 0.113 -0.993 -3.754 0.50 0.00 H new ATOM 0 H BVAL A 22 -0.469 -0.545 -4.344 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.843 0.907 -4.656 0.50 0.00 H new ATOM 0 HA BVAL A 22 -2.187 1.710 -4.804 0.50 0.00 H new ATOM 0 HB AVAL A 22 -2.094 -1.655 -3.025 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.475 -0.845 -5.426 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.471 -1.594 -3.657 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -3.896 -2.057 -3.826 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -4.012 -0.185 -2.670 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -2.292 -1.695 -3.144 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.221 -0.010 -4.429 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -3.705 -0.729 -2.656 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.817 -2.662 -5.152 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.919 -0.541 -5.487 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.497 -1.122 -5.985 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.768 0.851 -4.387 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -1.156 -2.032 -5.250 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -4.057 0.924 -6.017 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.668 2.031 -2.571 0.50 0.00 N ATOM 594 N BTYR A 23 -3.238 2.198 -2.559 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.998 2.823 -1.392 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.640 2.647 -1.232 0.50 0.00 C ATOM 597 C ATYR A 23 -4.435 3.332 -1.464 0.50 0.00 C ATOM 598 C BTYR A 23 -5.122 3.014 -1.208 0.50 0.00 C ATOM 599 O ATYR A 23 -4.873 3.848 -2.493 0.50 0.00 O ATOM 600 O BTYR A 23 -5.818 2.898 -2.217 0.50 0.00 O ATOM 601 CB ATYR A 23 -2.034 4.003 -1.257 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.801 3.851 -0.802 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.290 5.112 -2.253 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.918 5.037 -1.732 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.151 6.160 -1.949 0.50 0.00 C ATOM 606 CD1BTYR A 23 -2.060 5.179 -2.817 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.673 5.111 -3.497 0.50 0.00 C ATOM 608 CD2BTYR A 23 -3.882 6.014 -1.528 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.388 7.174 -2.855 0.50 0.00 C ATOM 610 CE1BTYR A 23 -2.162 6.260 -3.671 0.50 0.00 C ATOM 611 CE2ATYR A 23 -1.904 6.124 -4.410 0.50 0.00 C ATOM 612 CE2BTYR A 23 -3.992 7.098 -2.375 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.763 7.152 -4.085 0.50 0.00 C ATOM 614 CZ BTYR A 23 -3.129 7.217 -3.446 0.50 0.00 C ATOM 615 OH ATYR A 23 -2.996 8.161 -4.989 0.50 0.00 O ATOM 616 OH BTYR A 23 -3.234 8.296 -4.293 0.50 0.00 O ATOM 0 H ATYR A 23 -3.142 2.326 -3.424 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.679 2.704 -3.327 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.901 2.182 -0.516 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.474 1.827 -0.533 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.108 4.408 -0.248 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.105 4.155 0.200 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -1.013 3.643 -1.382 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.755 3.550 -0.741 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.643 6.181 -0.988 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -1.301 4.432 -2.995 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -1.002 4.306 -3.756 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -4.559 5.924 -0.691 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -4.060 7.981 -2.602 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -1.488 6.355 -4.510 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.414 6.110 -5.372 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -4.749 7.849 -2.201 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.478 7.996 -5.804 0.50 0.00 H new ATOM 0 HH BTYR A 23 -3.966 8.876 -3.995 0.50 0.00 H new ATOM 635 N ATYR A 24 -5.164 3.185 -0.364 0.50 0.00 N ATOM 636 N BTYR A 24 -5.597 3.456 -0.049 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.551 3.628 -0.300 0.50 0.00 C ATOM 638 CA BTYR A 24 -6.995 3.838 0.109 0.50 0.00 C ATOM 639 C ATYR A 24 -6.661 4.978 0.401 0.50 0.00 C ATOM 640 C BTYR A 24 -7.114 5.263 0.643 0.50 0.00 C ATOM 641 O ATYR A 24 -6.027 5.211 1.430 0.50 0.00 O ATOM 642 O BTYR A 24 -6.446 5.634 1.608 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.407 2.591 0.431 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.707 2.867 1.051 0.50 0.00 C ATOM 645 CG ATYR A 24 -7.165 1.172 -0.032 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.810 1.461 0.506 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.381 0.806 -1.354 0.50 0.00 C ATOM 648 CD1BTYR A 24 -8.947 1.040 -0.174 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.723 0.197 0.854 0.50 0.00 C ATOM 650 CD2BTYR A 24 -6.773 0.551 0.672 0.50 0.00 C ATOM 651 CE1ATYR A 24 -7.162 -0.490 -1.782 0.50 0.00 C ATOM 652 CE1BTYR A 24 -9.047 -0.244 -0.674 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.500 -1.099 0.435 0.50 0.00 C ATOM 654 CE2BTYR A 24 -6.863 -0.734 0.175 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.721 -1.439 -0.884 0.50 0.00 C ATOM 656 CZ BTYR A 24 -8.002 -1.127 -0.498 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.502 -2.730 -1.304 0.50 0.00 O ATOM 658 OH BTYR A 24 -8.096 -2.407 -0.993 0.50 0.00 O ATOM 0 H ATYR A 24 -4.817 2.762 0.497 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.034 3.559 0.795 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.917 3.738 -1.321 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.470 3.796 -0.871 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -7.206 2.655 1.500 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.175 2.841 2.002 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.460 2.836 0.289 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.709 3.242 1.256 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.726 1.547 -2.060 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -9.767 1.729 -0.314 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.551 0.458 1.888 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -5.881 0.854 1.199 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.335 -0.758 -2.814 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -9.938 -0.555 -1.199 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -6.154 -1.844 1.136 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -6.047 -1.428 0.312 0.50 0.00 H new ATOM 0 HH ATYR A 24 -6.193 -3.272 -0.548 0.50 0.00 H new ATOM 0 HH BTYR A 24 -7.275 -2.899 -0.785 0.50 0.00 H new ATOM 677 N APHE A 25 -7.471 5.867 -0.165 0.50 0.00 N ATOM 678 N BPHE A 25 -7.970 6.055 0.010 0.50 0.00 N ATOM 679 CA APHE A 25 -7.665 7.195 0.404 0.50 0.00 C ATOM 680 CA BPHE A 25 -8.179 7.439 0.420 0.50 0.00 C ATOM 681 C APHE A 25 -9.151 7.519 0.535 0.50 0.00 C ATOM 682 C BPHE A 25 -9.666 7.779 0.449 0.50 0.00 C ATOM 683 O APHE A 25 -9.947 7.206 -0.350 0.50 0.00 O ATOM 684 O BPHE A 25 -10.333 7.782 -0.584 0.50 0.00 O ATOM 685 CB APHE A 25 -6.976 8.250 -0.465 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.446 8.390 -0.528 0.50 0.00 C ATOM 687 CG APHE A 25 -7.188 9.656 0.019 0.50 0.00 C ATOM 688 CG BPHE A 25 -6.755 9.523 0.175 0.50 0.00 C ATOM 689 CD1APHE A 25 -8.139 10.471 -0.573 0.50 0.00 C ATOM 690 CD1BPHE A 25 -7.385 10.202 1.206 0.50 0.00 C ATOM 691 CD2APHE A 25 -6.435 10.164 1.066 0.50 0.00 C ATOM 692 CD2BPHE A 25 -5.478 9.910 -0.195 0.50 0.00 C ATOM 693 CE1APHE A 25 -8.338 11.765 -0.129 0.50 0.00 C ATOM 694 CE1BPHE A 25 -6.753 11.245 1.856 0.50 0.00 C ATOM 695 CE2APHE A 25 -6.628 11.456 1.514 0.50 0.00 C ATOM 696 CE2BPHE A 25 -4.840 10.953 0.453 0.50 0.00 C ATOM 697 CZ APHE A 25 -7.580 12.260 0.916 0.50 0.00 C ATOM 698 CZ BPHE A 25 -5.481 11.623 1.478 0.50 0.00 C ATOM 0 H APHE A 25 -8.003 5.691 -1.017 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.531 5.763 -0.790 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.220 7.206 1.399 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.777 7.558 1.426 0.50 0.00 H new ATOM 0 HB2APHE A 25 -5.906 8.042 -0.496 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.710 7.825 -1.099 0.50 0.00 H new ATOM 0 HB3APHE A 25 -7.346 8.166 -1.487 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -8.160 8.798 -1.244 0.50 0.00 H new ATOM 0 HD1APHE A 25 -8.732 10.091 -1.391 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -8.382 9.913 1.505 0.50 0.00 H new ATOM 0 HD2APHE A 25 -5.688 9.542 1.537 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -4.975 9.392 -0.998 0.50 0.00 H new ATOM 0 HE1APHE A 25 -9.085 12.389 -0.598 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -7.254 11.764 2.659 0.50 0.00 H new ATOM 0 HE2APHE A 25 -6.035 11.838 2.332 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -3.842 11.243 0.158 0.50 0.00 H new ATOM 0 HZ APHE A 25 -7.731 13.271 1.264 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -4.987 12.441 1.982 0.50 0.00 H new ATOM 717 N AASN A 26 -9.517 8.149 1.646 0.50 0.00 N ATOM 718 N BASN A 26 -10.179 8.067 1.642 0.50 0.00 N ATOM 719 CA AASN A 26 -10.906 8.515 1.895 0.50 0.00 C ATOM 720 CA BASN A 26 -11.586 8.409 1.807 0.50 0.00 C ATOM 721 C AASN A 26 -11.147 9.989 1.582 0.50 0.00 C ATOM 722 C BASN A 26 -11.753 9.892 2.123 0.50 0.00 C ATOM 723 O AASN A 26 -10.442 10.863 2.087 0.50 0.00 O ATOM 724 O BASN A 26 -11.223 10.389 3.117 0.50 0.00 O ATOM 725 CB AASN A 26 -11.279 8.223 3.351 0.50 0.00 C ATOM 726 CB BASN A 26 -12.210 7.567 2.922 0.50 0.00 C ATOM 727 CG AASN A 26 -12.781 8.136 3.557 0.50 0.00 C ATOM 728 CG BASN A 26 -13.691 7.840 3.094 0.50 0.00 C ATOM 729 OD1AASN A 26 -13.334 8.778 4.450 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.277 8.632 2.356 0.50 0.00 O ATOM 731 ND2AASN A 26 -13.445 7.339 2.729 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.304 7.183 4.073 0.50 0.00 N ATOM 0 H AASN A 26 -8.871 8.417 2.388 0.50 0.00 H new ATOM 0 H BASN A 26 -9.640 8.070 2.508 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.536 7.916 1.238 0.50 0.00 H new ATOM 0 HA BASN A 26 -12.097 8.195 0.868 0.50 0.00 H new ATOM 0 HB2AASN A 26 -10.818 7.285 3.660 0.50 0.00 H new ATOM 0 HB2BASN A 26 -12.062 6.510 2.701 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.872 9.005 3.992 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.694 7.772 3.860 0.50 0.00 H new ATOM 0 HD21AASN A 26 -14.456 7.239 2.818 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.301 7.326 4.237 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.944 6.826 2.003 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.778 6.536 4.660 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.144 10.256 0.746 0.50 0.00 N ATOM 746 N BHIS A 27 -12.494 10.593 1.269 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.478 11.624 0.366 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.730 12.021 1.457 0.50 0.00 C ATOM 749 C AHIS A 27 -13.412 12.260 1.391 0.50 0.00 C ATOM 750 C BHIS A 27 -13.622 12.268 2.670 0.50 0.00 C ATOM 751 O AHIS A 27 -13.643 13.469 1.365 0.50 0.00 O ATOM 752 O BHIS A 27 -13.760 13.401 3.130 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.127 11.647 -1.018 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.374 12.621 0.207 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.471 10.983 -1.060 0.50 0.00 C ATOM 756 CG BHIS A 27 -14.557 11.847 -0.287 0.50 0.00 C ATOM 757 ND1AHIS A 27 -15.608 11.550 -0.527 0.50 0.00 N ATOM 758 ND1BHIS A 27 -14.444 10.682 -1.015 0.50 0.00 N ATOM 759 CD2AHIS A 27 -14.852 9.793 -1.579 0.50 0.00 C ATOM 760 CD2BHIS A 27 -15.884 12.079 -0.154 0.50 0.00 C ATOM 761 CE1AHIS A 27 -16.631 10.737 -0.715 0.50 0.00 C ATOM 762 CE1BHIS A 27 -15.651 10.229 -1.308 0.50 0.00 C ATOM 763 NE2AHIS A 27 -16.200 9.664 -1.352 0.50 0.00 N ATOM 764 NE2BHIS A 27 -16.542 11.060 -0.797 0.50 0.00 N ATOM 0 H AHIS A 27 -12.735 9.543 0.318 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.940 10.196 0.442 0.50 0.00 H new ATOM 0 HA AHIS A 27 -11.555 12.202 0.335 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.768 12.504 1.630 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.232 12.682 -1.344 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -13.684 13.644 0.423 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -12.465 11.154 -1.729 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.628 12.674 -0.586 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -14.215 9.078 -2.078 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -16.340 12.911 0.362 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -17.648 10.919 -0.401 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -15.871 9.333 -1.869 0.50 0.00 H new ATOM 0 HE2AHIS A 27 -16.775 8.869 -1.630 0.50 0.00 H new ATOM 0 HE2BHIS A 27 -17.555 10.961 -0.869 0.50 0.00 H new ATOM 779 N AILE A 28 -13.945 11.439 2.288 0.50 0.00 N ATOM 780 N BILE A 28 -14.224 11.200 3.184 0.50 0.00 N ATOM 781 CA AILE A 28 -14.853 11.921 3.321 0.50 0.00 C ATOM 782 CA BILE A 28 -15.099 11.301 4.344 0.50 0.00 C ATOM 783 C AILE A 28 -14.094 12.301 4.587 0.50 0.00 C ATOM 784 C BILE A 28 -14.297 11.293 5.642 0.50 0.00 C ATOM 785 O AILE A 28 -14.323 13.362 5.169 0.50 0.00 O ATOM 786 O BILE A 28 -14.629 11.998 6.595 0.50 0.00 O ATOM 787 CB AILE A 28 -15.919 10.867 3.671 0.50 0.00 C ATOM 788 CB BILE A 28 -16.123 10.151 4.379 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.793 10.569 2.451 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.927 10.116 3.078 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.773 11.344 4.836 0.50 0.00 C ATOM 792 CG2BILE A 28 -17.051 10.302 5.576 0.50 0.00 C ATOM 793 CD1AILE A 28 -18.021 9.745 2.774 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.199 9.304 3.176 0.50 0.00 C ATOM 0 H AILE A 28 -13.764 10.436 2.321 0.50 0.00 H new ATOM 0 H BILE A 28 -14.121 10.255 2.814 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.347 12.805 2.918 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.631 12.248 4.255 0.50 0.00 H new ATOM 0 HB AILE A 28 -15.415 9.947 3.967 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.584 9.209 4.478 0.50 0.00 H new ATOM 0 HG12AILE A 28 -17.106 11.510 1.999 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.178 11.136 2.788 0.50 0.00 H new ATOM 0 HG13AILE A 28 -16.196 10.041 1.707 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.303 9.704 2.285 0.50 0.00 H new ATOM 0 HG21AILE A 28 -17.522 10.588 5.072 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.768 9.481 5.586 0.50 0.00 H new ATOM 0 HG22AILE A 28 -16.139 11.511 5.707 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.465 10.283 6.495 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.270 12.275 4.565 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.585 11.250 5.505 0.50 0.00 H new ATOM 0 HD11AILE A 28 -18.593 9.572 1.863 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.718 9.323 2.218 0.50 0.00 H new ATOM 0 HD12AILE A 28 -17.716 8.788 3.198 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.954 8.274 3.435 0.50 0.00 H new ATOM 0 HD13AILE A 28 -18.639 10.280 3.495 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.843 9.729 3.946 0.50 0.00 H new ATOM 817 N ATHR A 29 -13.184 11.426 5.011 0.50 0.00 N ATOM 818 N BTHR A 29 -13.238 10.489 5.671 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.391 11.668 6.208 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.389 10.389 6.851 0.50 0.00 C ATOM 821 C ATHR A 29 -11.031 12.260 5.856 0.50 0.00 C ATOM 822 C BTHR A 29 -11.216 11.357 6.766 0.50 0.00 C ATOM 823 O ATHR A 29 -10.337 12.800 6.715 0.50 0.00 O ATOM 824 O BTHR A 29 -10.673 11.781 7.787 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.181 10.373 7.014 0.50 0.00 C ATOM 826 CB BTHR A 29 -11.848 8.958 7.032 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.523 9.392 6.203 0.50 0.00 O ATOM 828 OG1BTHR A 29 -11.080 8.575 5.886 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.509 9.822 7.509 0.50 0.00 C ATOM 830 CG2BTHR A 29 -12.987 7.971 7.241 0.50 0.00 C ATOM 0 H ATHR A 29 -12.980 10.544 4.541 0.50 0.00 H new ATOM 0 H BTHR A 29 -12.949 9.899 4.891 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.948 12.380 6.817 0.50 0.00 H new ATOM 0 HA BTHR A 29 -13.008 10.647 7.710 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.558 10.606 7.878 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.210 8.944 7.916 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -12.193 8.823 5.770 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -10.922 7.608 5.906 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.335 8.907 8.076 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -12.580 6.967 7.366 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -13.993 10.559 8.150 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.550 8.248 8.132 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.153 9.604 6.657 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -13.648 7.989 6.374 0.50 0.00 H new ATOM 845 N AASN A 30 -10.656 12.156 4.583 0.50 0.00 N ATOM 846 N BASN A 30 -10.826 11.704 5.544 0.50 0.00 N ATOM 847 CA AASN A 30 -9.379 12.680 4.118 0.50 0.00 C ATOM 848 CA BASN A 30 -9.716 12.623 5.327 0.50 0.00 C ATOM 849 C AASN A 30 -8.215 11.918 4.744 0.50 0.00 C ATOM 850 C BASN A 30 -8.401 12.008 5.795 0.50 0.00 C ATOM 851 O AASN A 30 -7.094 12.418 4.806 0.50 0.00 O ATOM 852 O BASN A 30 -7.621 12.649 6.500 0.50 0.00 O ATOM 853 CB AASN A 30 -9.264 14.170 4.450 0.50 0.00 C ATOM 854 CB BASN A 30 -9.964 13.942 6.062 0.50 0.00 C ATOM 855 CG AASN A 30 -10.603 14.880 4.392 0.50 0.00 C ATOM 856 CG BASN A 30 -9.453 15.142 5.289 0.50 0.00 C ATOM 857 OD1AASN A 30 -10.970 15.611 5.310 0.50 0.00 O ATOM 858 OD1BASN A 30 -8.243 15.028 4.755 0.50 0.00 O flip ATOM 859 ND2AASN A 30 -11.341 14.664 3.307 0.50 0.00 N ATOM 860 ND2BASN A 30 -10.139 16.158 5.173 0.50 0.00 N flip ATOM 0 H AASN A 30 -11.220 11.713 3.857 0.50 0.00 H new ATOM 0 H BASN A 30 -11.263 11.362 4.688 0.50 0.00 H new ATOM 0 HA AASN A 30 -9.335 12.550 3.037 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.646 12.819 4.257 0.50 0.00 H new ATOM 0 HB2AASN A 30 -8.837 14.286 5.446 0.50 0.00 H new ATOM 0 HB2BASN A 30 -11.033 14.058 6.243 0.50 0.00 H new ATOM 0 HB3AASN A 30 -8.574 14.643 3.751 0.50 0.00 H new ATOM 0 HB3BASN A 30 -9.478 13.908 7.037 0.50 0.00 H new ATOM 0 HD21AASN A 30 -12.252 15.113 3.212 0.50 0.00 H new ATOM 0 HD21BASN A 30 -11.064 16.200 5.601 0.50 0.00 H new ATOM 0 HD22AASN A 30 -10.996 14.049 2.570 0.50 0.00 H new ATOM 0 HD22BASN A 30 -9.782 16.957 4.649 0.50 0.00 H new ATOM 873 N AALA A 31 -8.492 10.703 5.207 0.50 0.00 N ATOM 874 N BALA A 31 -8.162 10.763 5.398 0.50 0.00 N ATOM 875 CA AALA A 31 -7.469 9.870 5.825 0.50 0.00 C ATOM 876 CA BALA A 31 -6.940 10.061 5.774 0.50 0.00 C ATOM 877 C AALA A 31 -6.847 8.918 4.809 0.50 0.00 C ATOM 878 C BALA A 31 -6.654 8.905 4.823 0.50 0.00 C ATOM 879 O AALA A 31 -7.506 8.491 3.860 0.50 0.00 O ATOM 880 O BALA A 31 -7.555 8.143 4.469 0.50 0.00 O ATOM 881 CB AALA A 31 -8.059 9.089 6.991 0.50 0.00 C ATOM 882 CB BALA A 31 -7.042 9.557 7.206 0.50 0.00 C ATOM 0 H AALA A 31 -9.417 10.274 5.165 0.50 0.00 H new ATOM 0 H BALA A 31 -8.798 10.219 4.816 0.50 0.00 H new ATOM 0 HA AALA A 31 -6.681 10.523 6.200 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.111 10.765 5.705 0.50 0.00 H new ATOM 0 HB1AALA A 31 -7.284 8.471 7.444 0.50 0.00 H new ATOM 0 HB1BALA A 31 -6.124 9.035 7.474 0.50 0.00 H new ATOM 0 HB2AALA A 31 -8.449 9.784 7.734 0.50 0.00 H new ATOM 0 HB2BALA A 31 -7.189 10.401 7.879 0.50 0.00 H new ATOM 0 HB3AALA A 31 -8.867 8.452 6.631 0.50 0.00 H new ATOM 0 HB3BALA A 31 -7.886 8.873 7.292 0.50 0.00 H new ATOM 893 N ASER A 32 -5.576 8.589 5.013 0.50 0.00 N ATOM 894 N BSER A 32 -5.398 8.779 4.412 0.50 0.00 N ATOM 895 CA ASER A 32 -4.864 7.691 4.112 0.50 0.00 C ATOM 896 CA BSER A 32 -4.995 7.717 3.497 0.50 0.00 C ATOM 897 C ASER A 32 -4.343 6.469 4.863 0.50 0.00 C ATOM 898 C BSER A 32 -4.356 6.560 4.257 0.50 0.00 C ATOM 899 O ASER A 32 -3.623 6.597 5.853 0.50 0.00 O ATOM 900 O BSER A 32 -3.948 6.708 5.409 0.50 0.00 O ATOM 901 CB ASER A 32 -3.702 8.424 3.440 0.50 0.00 C ATOM 902 CB BSER A 32 -4.015 8.258 2.454 0.50 0.00 C ATOM 903 OG ASER A 32 -2.482 8.177 4.119 0.50 0.00 O ATOM 904 OG BSER A 32 -3.663 9.602 2.735 0.50 0.00 O ATOM 0 H ASER A 32 -5.018 8.931 5.795 0.50 0.00 H new ATOM 0 H BSER A 32 -4.640 9.399 4.698 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.563 7.355 3.346 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.888 7.349 2.991 0.50 0.00 H new ATOM 0 HB2ASER A 32 -3.616 8.102 2.402 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.118 7.639 2.438 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.903 9.495 3.425 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.463 8.196 1.462 0.50 0.00 H new ATOM 0 HG ASER A 32 -1.755 8.655 3.669 0.50 0.00 H new ATOM 0 HG BSER A 32 -4.315 10.205 2.320 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.712 5.286 4.384 0.50 0.00 N ATOM 916 N BGLN A 33 -4.277 5.404 3.603 0.50 0.00 N ATOM 917 CA AGLN A 33 -4.283 4.041 5.008 0.50 0.00 C ATOM 918 CA BGLN A 33 -3.689 4.219 4.218 0.50 0.00 C ATOM 919 C AGLN A 33 -3.675 3.096 3.978 0.50 0.00 C ATOM 920 C BGLN A 33 -3.604 3.072 3.215 0.50 0.00 C ATOM 921 O AGLN A 33 -3.898 3.243 2.777 0.50 0.00 O ATOM 922 O BGLN A 33 -4.546 2.819 2.464 0.50 0.00 O ATOM 923 CB AGLN A 33 -5.463 3.362 5.707 0.50 0.00 C ATOM 924 CB BGLN A 33 -4.510 3.789 5.434 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.247 3.147 7.197 0.50 0.00 C ATOM 926 CG BGLN A 33 -5.928 3.360 5.090 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.486 3.448 8.016 0.50 0.00 C ATOM 928 CD BGLN A 33 -6.734 2.973 6.316 0.50 0.00 C ATOM 929 OE1AGLN A 33 -6.468 4.312 8.894 0.50 0.00 O ATOM 930 OE1BGLN A 33 -7.220 3.835 7.049 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.571 2.737 7.733 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.882 1.674 6.542 0.50 0.00 N ATOM 0 H AGLN A 33 -5.308 5.164 3.565 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.612 5.263 2.650 0.50 0.00 H new ATOM 0 HA AGLN A 33 -3.520 4.280 5.749 0.50 0.00 H new ATOM 0 HA BGLN A 33 -2.679 4.471 4.542 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -6.358 3.967 5.562 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -4.001 2.964 5.933 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -5.650 2.398 5.233 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -4.551 4.615 6.145 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -4.943 2.115 7.371 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -6.433 4.173 4.569 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -4.429 3.782 7.537 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -5.891 2.515 4.402 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -7.541 2.031 6.997 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.462 0.995 5.908 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.435 2.897 8.251 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.416 1.355 7.350 0.50 0.00 H new ATOM 949 N APHE A 34 -2.906 2.122 4.456 0.50 0.00 N ATOM 950 N BPHE A 34 -2.468 2.382 3.208 0.50 0.00 N ATOM 951 CA APHE A 34 -2.265 1.153 3.576 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.259 1.264 2.297 0.50 0.00 C ATOM 953 C APHE A 34 -2.798 -0.254 3.836 0.50 0.00 C ATOM 954 C BPHE A 34 -3.166 0.091 2.657 0.50 0.00 C ATOM 955 O APHE A 34 -2.114 -1.244 3.576 0.50 0.00 O ATOM 956 O BPHE A 34 -3.669 -0.610 1.781 0.50 0.00 O ATOM 957 CB APHE A 34 -0.747 1.180 3.771 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.795 0.818 2.330 0.50 0.00 C ATOM 959 CG APHE A 34 -0.005 1.801 2.622 0.50 0.00 C ATOM 960 CG BPHE A 34 0.181 1.958 2.251 0.50 0.00 C ATOM 961 CD1APHE A 34 0.611 3.034 2.764 0.50 0.00 C ATOM 962 CD1BPHE A 34 0.985 2.274 3.334 0.50 0.00 C ATOM 963 CD2APHE A 34 0.074 1.152 1.399 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.292 2.713 1.094 0.50 0.00 C ATOM 965 CE1APHE A 34 1.295 3.608 1.708 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.883 3.322 3.265 0.50 0.00 C ATOM 967 CE2APHE A 34 0.755 1.723 0.341 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.188 3.762 1.020 0.50 0.00 C ATOM 969 CZ APHE A 34 1.365 2.952 0.495 0.50 0.00 C ATOM 970 CZ BPHE A 34 1.985 4.067 2.105 0.50 0.00 C ATOM 0 H APHE A 34 -2.712 1.984 5.448 0.50 0.00 H new ATOM 0 H BPHE A 34 -1.678 2.578 3.823 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.497 1.426 2.546 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.508 1.598 1.290 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.516 1.731 4.683 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.615 0.259 3.248 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.389 0.161 3.915 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.613 0.136 1.500 0.50 0.00 H new ATOM 0 HD1APHE A 34 0.556 3.553 3.710 0.50 0.00 H new ATOM 0 HD1BPHE A 34 0.909 1.695 4.242 0.50 0.00 H new ATOM 0 HD2APHE A 34 -0.402 0.191 1.272 0.50 0.00 H new ATOM 0 HD2BPHE A 34 -0.328 2.479 0.241 0.50 0.00 H new ATOM 0 HE1APHE A 34 1.774 4.568 1.832 0.50 0.00 H new ATOM 0 HE1BPHE A 34 2.504 3.559 4.116 0.50 0.00 H new ATOM 0 HE2APHE A 34 0.810 1.208 -0.607 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.265 4.343 0.113 0.50 0.00 H new ATOM 0 HZ APHE A 34 1.896 3.400 -0.332 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.687 4.886 2.048 0.50 0.00 H new ATOM 989 N AGLU A 35 -4.020 -0.330 4.352 0.50 0.00 N ATOM 990 N BGLU A 35 -3.372 -0.114 3.955 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.644 -1.616 4.647 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.218 -1.201 4.433 0.50 0.00 C ATOM 993 C AGLU A 35 -6.136 -1.583 4.331 0.50 0.00 C ATOM 994 C BGLU A 35 -5.688 -0.909 4.151 0.50 0.00 C ATOM 995 O AGLU A 35 -6.762 -0.523 4.350 0.50 0.00 O ATOM 996 O BGLU A 35 -6.107 0.249 4.111 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.432 -1.982 6.117 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.007 -1.421 5.932 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.194 -2.830 6.362 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.610 -1.898 6.286 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.909 -2.031 6.255 0.50 0.00 C ATOM 1002 CD BGLU A 35 -1.573 -0.793 6.191 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -1.902 -0.860 6.688 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -1.665 0.173 6.976 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -0.913 -2.576 5.737 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -0.675 -0.895 5.333 0.50 0.00 O ATOM 0 H AGLU A 35 -4.597 0.481 4.574 0.50 0.00 H new ATOM 0 H BGLU A 35 -2.964 0.459 4.694 0.50 0.00 H new ATOM 0 HA AGLU A 35 -4.174 -2.372 4.018 0.50 0.00 H new ATOM 0 HA BGLU A 35 -3.937 -2.108 3.899 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.356 -1.066 6.703 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.208 -0.488 6.459 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.308 -2.520 6.478 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.733 -2.152 6.289 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.256 -3.280 7.353 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.614 -2.301 7.299 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -3.170 -3.648 5.642 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.329 -2.713 5.619 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.698 -2.750 4.037 0.50 0.00 N ATOM 1020 N BARG A 36 -6.470 -1.966 3.958 0.50 0.00 N ATOM 1021 CA AARG A 36 -8.116 -2.855 3.713 0.50 0.00 C ATOM 1022 CA BARG A 36 -7.893 -1.825 3.678 0.50 0.00 C ATOM 1023 C AARG A 36 -8.964 -2.091 4.726 0.50 0.00 C ATOM 1024 C BARG A 36 -8.701 -1.796 4.974 0.50 0.00 C ATOM 1025 O AARG A 36 -9.155 -2.523 5.863 0.50 0.00 O ATOM 1026 O BARG A 36 -8.726 -2.761 5.738 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.545 -4.324 3.678 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.377 -2.970 2.788 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.648 -4.612 2.674 0.50 0.00 C ATOM 1030 CG BARG A 36 -9.704 -2.689 2.101 0.50 0.00 C ATOM 1031 CD AARG A 36 -10.848 -3.703 2.887 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.176 -3.885 1.290 0.50 0.00 C ATOM 1033 NE AARG A 36 -11.446 -3.887 4.207 0.50 0.00 N ATOM 1034 NE BARG A 36 -10.344 -5.076 2.117 0.50 0.00 N ATOM 1035 CZ AARG A 36 -12.154 -4.958 4.550 0.50 0.00 C ATOM 1036 CZ BARG A 36 -11.322 -5.220 3.006 0.50 0.00 C ATOM 1037 NH1AARG A 36 -12.351 -5.934 3.675 0.50 0.00 N ATOM 1038 NH1BARG A 36 -12.211 -4.254 3.181 0.50 0.00 N ATOM 1039 NH2AARG A 36 -12.667 -5.053 5.770 0.50 0.00 N ATOM 1040 NH2BARG A 36 -11.409 -6.334 3.723 0.50 0.00 N ATOM 0 H AARG A 36 -6.194 -3.636 4.016 0.50 0.00 H new ATOM 0 H BARG A 36 -6.141 -2.931 3.991 0.50 0.00 H new ATOM 0 HA AARG A 36 -8.272 -2.414 2.729 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.043 -0.881 3.154 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.679 -4.941 3.440 0.50 0.00 H new ATOM 0 HB2BARG A 36 -7.621 -3.174 2.030 0.50 0.00 H new ATOM 0 HB3AARG A 36 -8.883 -4.619 4.671 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.474 -3.872 3.392 0.50 0.00 H new ATOM 0 HG2AARG A 36 -9.264 -4.479 1.663 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.456 -2.436 2.849 0.50 0.00 H new ATOM 0 HG3AARG A 36 -9.959 -5.653 2.762 0.50 0.00 H new ATOM 0 HG3BARG A 36 -9.600 -1.823 1.447 0.50 0.00 H new ATOM 0 HD2AARG A 36 -10.541 -2.664 2.770 0.50 0.00 H new ATOM 0 HD2BARG A 36 -11.122 -3.644 0.806 0.50 0.00 H new ATOM 0 HD3AARG A 36 -11.595 -3.903 2.119 0.50 0.00 H new ATOM 0 HD3BARG A 36 -9.456 -4.092 0.498 0.50 0.00 H new ATOM 0 HE AARG A 36 -11.313 -3.154 4.903 0.50 0.00 H new ATOM 0 HE BARG A 36 -9.675 -5.838 2.007 0.50 0.00 H new ATOM 0 HH11AARG A 36 -11.959 -5.864 2.736 0.50 0.00 H new ATOM 0 HH11BARG A 36 -12.147 -3.396 2.633 0.50 0.00 H new ATOM 0 HH12AARG A 36 -12.895 -6.755 3.941 0.50 0.00 H new ATOM 0 HH12BARG A 36 -12.960 -4.368 3.864 0.50 0.00 H new ATOM 0 HH21AARG A 36 -12.518 -4.304 6.446 0.50 0.00 H new ATOM 0 HH21BARG A 36 -10.725 -7.080 3.592 0.50 0.00 H new ATOM 0 HH22AARG A 36 -13.210 -5.876 6.032 0.50 0.00 H new ATOM 0 HH22BARG A 36 -12.159 -6.444 4.405 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.482 -0.929 4.305 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.377 -0.666 5.225 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.317 -0.080 5.159 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.199 -0.486 6.426 0.50 0.00 C ATOM 1071 C APRO A 37 -11.683 -0.701 5.438 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.455 -1.349 6.405 0.50 0.00 C ATOM 1073 O APRO A 37 -12.333 -1.221 4.533 0.50 0.00 O ATOM 1074 O BPRO A 37 -11.969 -1.685 5.339 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.471 1.205 4.341 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.569 0.999 6.383 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.285 0.778 2.927 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.492 1.366 4.940 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.293 -0.352 2.963 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.395 0.522 4.356 0.50 0.00 C ATOM 0 HA APRO A 37 -9.870 0.074 6.141 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.668 -0.781 7.331 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.452 1.656 4.493 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.569 1.170 6.782 0.50 0.00 H new ATOM 0 HB3APRO A 37 -9.730 1.950 4.630 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.881 1.596 6.981 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.229 0.454 2.490 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.440 1.175 4.438 0.50 0.00 H new ATOM 0 HG3APRO A 37 -9.916 1.602 2.316 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -10.275 2.427 4.818 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.489 -1.084 2.180 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.601 0.258 3.319 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.273 0.004 2.819 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.438 1.043 4.368 0.50 0.00 H new ATOM 1095 N ASER A 38 -12.109 -0.640 6.695 0.50 0.00 N ATOM 1096 N BSER A 38 -11.944 -1.704 7.588 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.395 -1.201 7.091 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.140 -2.531 7.705 0.50 0.00 C ATOM 1099 C ASER A 38 -14.339 -0.105 7.577 0.50 0.00 C ATOM 1100 C BSER A 38 -14.384 -1.746 7.303 0.50 0.00 C ATOM 1101 O ASER A 38 -13.936 1.047 7.744 0.50 0.00 O ATOM 1102 O BSER A 38 -14.979 -1.997 6.255 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.202 -2.246 8.193 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.290 -3.048 9.137 0.50 0.00 C ATOM 1105 OG ASER A 38 -14.399 -2.970 8.424 0.50 0.00 O ATOM 1106 OG BSER A 38 -13.333 -1.978 10.064 0.50 0.00 O ATOM 0 H ASER A 38 -11.584 -0.209 7.456 0.50 0.00 H new ATOM 0 H BSER A 38 -11.531 -1.432 8.480 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.839 -1.680 6.218 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.033 -3.380 7.029 0.50 0.00 H new ATOM 0 HB2ASER A 38 -12.406 -2.934 7.910 0.50 0.00 H new ATOM 0 HB2BSER A 38 -14.201 -3.641 9.219 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.887 -1.755 9.114 0.50 0.00 H new ATOM 0 HB3BSER A 38 -12.457 -3.708 9.378 0.50 0.00 H new ATOM 0 HG ASER A 38 -14.250 -3.632 9.131 0.50 0.00 H new ATOM 0 HG BSER A 38 -13.431 -2.335 10.971 0.50 0.00 H new ATOM 1117 N AGLY A 39 -15.597 -0.471 7.801 0.50 0.00 N ATOM 1118 N BGLY A 39 -14.774 -0.794 8.145 0.50 0.00 N ATOM 1119 CA AGLY A 39 -16.579 0.492 8.263 0.50 0.00 C ATOM 1120 CA BGLY A 39 -15.946 0.014 7.862 0.50 0.00 C ATOM 1121 C AGLY A 39 -17.505 -0.085 9.317 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.763 0.307 9.104 0.50 0.00 C ATOM 1123 O AGLY A 39 -17.197 0.017 10.503 0.50 0.00 O ATOM 1124 O BGLY A 39 -16.312 1.026 9.996 0.50 0.00 O ATOM 0 H AGLY A 39 -15.954 -1.418 7.671 0.50 0.00 H new ATOM 0 H BGLY A 39 -14.299 -0.568 9.019 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -16.066 1.362 8.672 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -15.634 0.954 7.406 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -17.170 0.839 7.415 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -16.571 -0.502 7.133 0.50 0.00 H new TER 1131 GLY A 39