USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=17 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 B: amide:sc= -1.81 K(o=-3.9,f=-14!) USER MOD Set 1.2: A 29 THR OG1B: rot 131:sc= -2.12 USER MOD Single : A 5 SER OG A: rot 31:sc= 0.549 USER MOD Single : A 5 SER OG B: rot 4:sc= 0.841 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 A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE A:methyl 180:sc= 0 (180deg=0) 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 USER MOD Single : A 18 ASN A: amide:sc= -0.456 K(o=-0.46,f=-2.4) USER MOD Single : A 18 ASN B: amide:sc= -0.35 K(o=-0.35,f=-1.1!) USER MOD Single : A 19 SER OG A: rot 180:sc= 0 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.276 USER MOD Single : A 23 TYR OH A: rot -138:sc= 0.439 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 26 ASN A: amide:sc= -0.951 K(o=-0.95,f=-11!) USER MOD Single : A 27 HIS A:FLIP no HD1:sc= -1.72 F(o=-2.9,f=-1.7) USER MOD Single : A 27 HIS B: no HD1:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD Single : A 29 THR OG1A: rot 180:sc= 0 USER MOD Single : A 30 ASN A: amide:sc= -0.49 K(o=-0.49,f=-1.3!) USER MOD Single : A 30 ASN B: amide:sc= 0.426 X(o=0.43,f=0) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.0923 USER MOD Single : A 32 SER OG B: rot 180:sc= 0 USER MOD Single : A 33 GLN A: amide:sc= -0.429 K(o=-0.43,f=-3!) USER MOD Single : A 33 GLN B: amide:sc= 1.14 K(o=1.1,f=-0.17) USER MOD Single : A 38 SER OG A: rot 180:sc= -0.185 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ASER A 5 -11.447 -6.437 -3.761 0.20 0.00 N ATOM 2 N BSER A 5 -12.123 -5.343 -4.025 0.80 0.00 N ATOM 3 CA ASER A 5 -12.230 -5.397 -4.416 0.20 0.00 C ATOM 4 CA BSER A 5 -13.188 -4.808 -4.864 0.80 0.00 C ATOM 5 C ASER A 5 -13.587 -5.227 -3.738 0.20 0.00 C ATOM 6 C BSER A 5 -14.369 -4.344 -4.016 0.80 0.00 C ATOM 7 O ASER A 5 -14.630 -5.284 -4.390 0.20 0.00 O ATOM 8 O BSER A 5 -14.878 -3.238 -4.188 0.80 0.00 O ATOM 9 CB ASER A 5 -12.424 -5.730 -5.896 0.20 0.00 C ATOM 10 CB BSER A 5 -13.651 -5.861 -5.872 0.80 0.00 C ATOM 11 OG ASER A 5 -11.333 -6.483 -6.397 0.20 0.00 O ATOM 12 OG BSER A 5 -12.798 -6.992 -5.857 0.80 0.00 O ATOM 0 HA ASER A 5 -11.682 -4.458 -4.331 0.20 0.00 H new ATOM 0 HA BSER A 5 -12.792 -3.948 -5.404 0.80 0.00 H new ATOM 0 HB2ASER A 5 -13.349 -6.292 -6.027 0.20 0.00 H new ATOM 0 HB2BSER A 5 -14.671 -6.168 -5.639 0.80 0.00 H new ATOM 0 HB3ASER A 5 -12.527 -4.808 -6.469 0.20 0.00 H new ATOM 0 HB3BSER A 5 -13.669 -5.428 -6.872 0.80 0.00 H new ATOM 0 HG ASER A 5 -10.963 -7.039 -5.680 0.20 0.00 H new ATOM 0 HG BSER A 5 -12.123 -6.884 -5.155 0.80 0.00 H new ATOM 23 N ALYS A 6 -13.563 -5.023 -2.425 0.20 0.00 N ATOM 24 N BLYS A 6 -14.801 -5.202 -3.098 0.80 0.00 N ATOM 25 CA ALYS A 6 -14.791 -4.845 -1.656 0.20 0.00 C ATOM 26 CA BLYS A 6 -15.920 -4.885 -2.220 0.80 0.00 C ATOM 27 C ALYS A 6 -14.558 -3.912 -0.471 0.20 0.00 C ATOM 28 C BLYS A 6 -15.475 -3.982 -1.075 0.80 0.00 C ATOM 29 O ALYS A 6 -13.994 -4.315 0.547 0.20 0.00 O ATOM 30 O BLYS A 6 -15.568 -4.354 0.096 0.80 0.00 O ATOM 31 CB ALYS A 6 -15.305 -6.198 -1.163 0.20 0.00 C ATOM 32 CB BLYS A 6 -16.537 -6.169 -1.659 0.80 0.00 C ATOM 33 CG ALYS A 6 -16.605 -6.105 -0.380 0.20 0.00 C ATOM 34 CG BLYS A 6 -17.802 -5.934 -0.852 0.80 0.00 C ATOM 35 CD ALYS A 6 -16.838 -7.346 0.464 0.20 0.00 C ATOM 36 CD BLYS A 6 -17.923 -6.923 0.295 0.80 0.00 C ATOM 37 CE ALYS A 6 -18.319 -7.572 0.726 0.20 0.00 C ATOM 38 CE BLYS A 6 -17.995 -8.356 -0.211 0.80 0.00 C ATOM 39 NZ ALYS A 6 -18.611 -8.991 1.075 0.20 0.00 N ATOM 40 NZ BLYS A 6 -19.269 -9.019 0.184 0.80 0.00 N ATOM 0 H ALYS A 6 -12.708 -4.977 -1.871 0.20 0.00 H new ATOM 0 H BLYS A 6 -14.392 -6.123 -2.943 0.80 0.00 H new ATOM 0 HA ALYS A 6 -15.540 -4.395 -2.307 0.20 0.00 H new ATOM 0 HA BLYS A 6 -16.670 -4.355 -2.808 0.80 0.00 H new ATOM 0 HB2ALYS A 6 -15.452 -6.856 -2.020 0.20 0.00 H new ATOM 0 HB2BLYS A 6 -16.763 -6.844 -2.484 0.80 0.00 H new ATOM 0 HB3ALYS A 6 -14.544 -6.660 -0.534 0.20 0.00 H new ATOM 0 HB3BLYS A 6 -15.802 -6.670 -1.029 0.80 0.00 H new ATOM 0 HG2ALYS A 6 -16.581 -5.226 0.264 0.20 0.00 H new ATOM 0 HG2BLYS A 6 -17.800 -4.917 -0.459 0.80 0.00 H new ATOM 0 HG3ALYS A 6 -17.438 -5.972 -1.070 0.20 0.00 H new ATOM 0 HG3BLYS A 6 -18.672 -6.022 -1.503 0.80 0.00 H new ATOM 0 HD2ALYS A 6 -16.420 -8.216 -0.043 0.20 0.00 H new ATOM 0 HD2BLYS A 6 -17.068 -6.814 0.963 0.80 0.00 H new ATOM 0 HD3ALYS A 6 -16.311 -7.246 1.413 0.20 0.00 H new ATOM 0 HD3BLYS A 6 -18.815 -6.697 0.879 0.80 0.00 H new ATOM 0 HE2ALYS A 6 -18.647 -6.923 1.538 0.20 0.00 H new ATOM 0 HE2BLYS A 6 -17.903 -8.363 -1.297 0.80 0.00 H new ATOM 0 HE3ALYS A 6 -18.891 -7.290 -0.158 0.20 0.00 H new ATOM 0 HE3BLYS A 6 -17.152 -8.924 0.184 0.80 0.00 H new ATOM 0 HZ1ALYS A 6 -19.631 -9.104 1.246 0.20 0.00 H new ATOM 0 HZ1BLYS A 6 -19.280 -9.993 -0.179 0.80 0.00 H new ATOM 0 HZ2ALYS A 6 -18.321 -9.608 0.290 0.20 0.00 H new ATOM 0 HZ2BLYS A 6 -19.345 -9.035 1.221 0.80 0.00 H new ATOM 0 HZ3ALYS A 6 -18.085 -9.253 1.933 0.20 0.00 H new ATOM 0 HZ3BLYS A 6 -20.072 -8.492 -0.214 0.80 0.00 H new ATOM 67 N ALEU A 7 -15.000 -2.667 -0.609 0.20 0.00 N ATOM 68 N BLEU A 7 -14.993 -2.792 -1.420 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.843 -1.679 0.451 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.535 -1.833 -0.419 0.80 0.00 C ATOM 71 C ALEU A 7 -16.152 -0.938 0.704 0.20 0.00 C ATOM 72 C BLEU A 7 -15.712 -1.084 0.197 0.80 0.00 C ATOM 73 O ALEU A 7 -17.025 -0.855 -0.163 0.20 0.00 O ATOM 74 O BLEU A 7 -16.758 -0.900 -0.427 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.743 -0.682 0.086 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.556 -0.839 -1.047 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.753 -1.136 -0.987 0.20 0.00 C ATOM 78 CG BLEU A 7 -12.089 -1.272 -1.078 0.80 0.00 C ATOM 79 CD1ALEU A 7 -11.855 0.017 -1.407 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.956 -2.672 -1.656 0.80 0.00 C ATOM 81 CD2ALEU A 7 -11.924 -2.308 -0.485 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.259 -0.280 -1.882 0.80 0.00 C ATOM 0 H ALEU A 7 -15.470 -2.318 -1.445 0.20 0.00 H new ATOM 0 H BLEU A 7 -14.909 -2.468 -2.384 0.80 0.00 H new ATOM 0 HA ALEU A 7 -14.562 -2.204 1.364 0.20 0.00 H new ATOM 0 HA BLEU A 7 -14.026 -2.385 0.371 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.215 0.241 -0.251 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.877 -0.640 -2.069 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.183 -0.442 0.990 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.625 0.102 -0.502 0.80 0.00 H new ATOM 0 HG ALEU A 7 -13.317 -1.465 -1.860 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.713 -1.288 -0.055 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -11.157 -0.325 -2.171 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.905 -2.962 -1.670 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.465 0.826 -1.809 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.518 -3.375 -1.041 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.298 0.378 -0.542 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -12.349 -2.685 -2.673 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -11.225 -2.618 -1.262 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.218 -0.602 -1.894 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -11.369 -2.007 0.404 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.637 -0.233 -2.903 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -12.583 -3.140 -0.237 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.328 0.707 -1.424 0.80 0.00 H new ATOM 105 N APRO A 8 -16.297 -0.388 1.919 0.20 0.00 N ATOM 106 N BPRO A 8 -15.540 -0.640 1.451 0.80 0.00 N ATOM 107 CA APRO A 8 -17.496 0.358 2.312 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.576 0.098 2.178 0.80 0.00 C ATOM 109 C APRO A 8 -17.614 1.693 1.585 0.20 0.00 C ATOM 110 C BPRO A 8 -16.800 1.496 1.609 0.80 0.00 C ATOM 111 O APRO A 8 -16.682 2.152 0.925 0.20 0.00 O ATOM 112 O BPRO A 8 -16.028 1.986 0.783 0.80 0.00 O ATOM 113 CB APRO A 8 -17.298 0.583 3.814 0.20 0.00 C ATOM 114 CB BPRO A 8 -16.018 0.184 3.601 0.80 0.00 C ATOM 115 CG APRO A 8 -15.821 0.534 4.011 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.542 0.079 3.436 0.80 0.00 C ATOM 117 CD APRO A 8 -15.299 -0.449 3.000 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.320 -0.823 2.255 0.80 0.00 C ATOM 0 HA APRO A 8 -18.410 -0.182 2.064 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.547 -0.394 2.115 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.708 1.543 4.128 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -16.297 1.123 4.080 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.802 -0.186 4.400 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.405 -0.620 4.227 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.375 1.518 3.864 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -14.098 1.060 3.267 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.573 0.219 5.025 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -14.077 -0.331 4.333 0.80 0.00 H new ATOM 0 HD2APRO A 8 -14.306 -0.172 2.646 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.426 -0.543 1.698 0.80 0.00 H new ATOM 0 HD3APRO A 8 -15.220 -1.452 3.418 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -14.192 -1.861 2.561 0.80 0.00 H new ATOM 133 N APRO A 9 -18.788 2.332 1.706 0.20 0.00 N ATOM 134 N BPRO A 9 -17.877 2.155 2.059 0.80 0.00 N ATOM 135 CA APRO A 9 -19.055 3.623 1.067 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.227 3.504 1.609 0.80 0.00 C ATOM 137 C APRO A 9 -18.259 4.759 1.701 0.20 0.00 C ATOM 138 C BPRO A 9 -17.247 4.557 2.121 0.80 0.00 C ATOM 139 O APRO A 9 -18.562 5.198 2.811 0.20 0.00 O ATOM 140 O BPRO A 9 -16.825 4.515 3.276 0.80 0.00 O ATOM 141 CB APRO A 9 -20.555 3.829 1.295 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.616 3.730 2.207 0.80 0.00 C ATOM 143 CG APRO A 9 -20.865 3.030 2.512 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.667 2.836 3.396 0.80 0.00 C ATOM 145 CD APRO A 9 -19.943 1.842 2.476 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.840 1.631 3.044 0.80 0.00 C ATOM 0 HA APRO A 9 -18.766 3.625 0.016 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.198 3.592 0.523 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.792 4.883 1.442 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.760 4.773 2.489 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.136 3.488 0.438 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.400 3.482 1.492 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.707 3.619 3.416 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.270 3.337 4.279 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.908 2.714 2.516 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.694 2.551 3.626 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.654 1.527 3.479 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.337 1.219 3.919 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.412 0.983 1.995 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.451 0.833 2.623 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.242 5.233 0.990 0.20 0.00 N ATOM 162 N BGLY A 10 -16.894 5.502 1.254 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.418 6.315 1.499 0.20 0.00 C ATOM 164 CA BGLY A 10 -15.968 6.552 1.638 0.80 0.00 C ATOM 165 C AGLY A 10 -14.947 6.117 1.195 0.20 0.00 C ATOM 166 C BGLY A 10 -14.520 6.132 1.487 0.80 0.00 C ATOM 167 O AGLY A 10 -14.212 7.084 0.998 0.20 0.00 O ATOM 168 O BGLY A 10 -13.662 6.553 2.262 0.80 0.00 O ATOM 0 H AGLY A 10 -16.973 4.887 0.069 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.233 5.559 0.293 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.752 7.257 1.064 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.152 7.436 1.027 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.555 6.395 2.577 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.155 6.836 2.674 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.516 4.860 1.155 0.20 0.00 N ATOM 176 N BTRP A 11 -14.248 5.299 0.489 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.121 4.541 0.873 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.892 4.821 0.241 0.80 0.00 C ATOM 179 C ATRP A 11 -12.921 4.238 -0.607 0.20 0.00 C ATOM 180 C BTRP A 11 -12.651 4.624 -1.252 0.80 0.00 C ATOM 181 O ATRP A 11 -13.662 3.449 -1.194 0.20 0.00 O ATOM 182 O BTRP A 11 -13.565 4.270 -1.997 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.671 3.346 1.716 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.648 3.510 0.988 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.297 3.718 3.119 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.646 3.665 2.478 0.80 0.00 C ATOM 187 CD1ATRP A 11 -13.040 3.516 4.247 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.709 3.508 3.319 0.80 0.00 C ATOM 189 CD2ATRP A 11 -11.087 4.356 3.543 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.527 4.012 3.301 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.366 3.992 5.345 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.320 3.735 4.617 0.80 0.00 N ATOM 193 CE2ATRP A 11 -11.166 4.511 4.942 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.986 4.047 4.633 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.944 4.809 2.878 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.183 4.295 3.045 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -10.145 5.101 5.683 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.147 4.353 5.701 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.933 5.395 3.616 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.352 4.600 4.105 0.80 0.00 C ATOM 201 CH2ATRP A 11 -9.038 5.535 5.006 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.835 4.627 5.421 0.80 0.00 C ATOM 0 H ATRP A 11 -15.111 4.047 1.314 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.947 4.941 -0.161 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.515 5.409 1.132 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.194 5.574 0.607 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.473 2.608 1.745 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.417 2.791 0.706 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.817 2.871 1.233 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.692 3.093 0.672 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -14.014 3.050 4.272 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.710 3.244 3.010 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.706 3.963 6.306 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.926 3.680 5.436 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.853 4.703 1.807 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.800 4.276 2.035 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -10.224 5.212 6.754 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.518 4.374 6.715 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -8.047 5.751 3.112 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.312 4.822 3.917 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -8.229 5.995 5.554 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.160 4.868 6.229 0.80 0.00 H new ATOM 223 N AGLU A 12 -11.915 4.867 -1.206 0.20 0.00 N ATOM 224 N BGLU A 12 -11.414 4.855 -1.682 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.619 4.663 -2.619 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.054 4.702 -3.087 0.80 0.00 C ATOM 227 C AGLU A 12 -10.181 4.193 -2.814 0.20 0.00 C ATOM 228 C BGLU A 12 -9.729 3.959 -3.231 0.80 0.00 C ATOM 229 O AGLU A 12 -9.236 4.847 -2.369 0.20 0.00 O ATOM 230 O BGLU A 12 -8.814 4.134 -2.425 0.80 0.00 O ATOM 231 CB AGLU A 12 -11.854 5.957 -3.403 0.20 0.00 C ATOM 232 CB BGLU A 12 -10.959 6.070 -3.764 0.80 0.00 C ATOM 233 CG AGLU A 12 -11.285 5.927 -4.812 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.244 6.879 -3.685 0.80 0.00 C ATOM 235 CD AGLU A 12 -11.901 6.979 -5.713 0.20 0.00 C ATOM 236 CD BGLU A 12 -13.324 6.349 -4.609 0.80 0.00 C ATOM 237 OE1AGLU A 12 -12.949 6.692 -6.329 0.20 0.00 O ATOM 238 OE1BGLU A 12 -12.980 5.637 -5.575 0.80 0.00 O ATOM 239 OE2AGLU A 12 -11.336 8.089 -5.803 0.20 0.00 O ATOM 240 OE2BGLU A 12 -14.512 6.647 -4.364 0.80 0.00 O ATOM 0 H AGLU A 12 -11.291 5.522 -0.735 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.646 5.148 -1.079 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.289 3.890 -2.995 0.20 0.00 H new ATOM 0 HA BGLU A 12 -11.834 4.117 -3.574 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.925 6.150 -3.457 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -10.152 6.639 -3.302 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -11.408 6.789 -2.858 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.692 5.930 -4.811 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -10.207 6.079 -4.767 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -12.612 6.870 -2.659 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -11.451 4.941 -5.246 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -12.031 7.918 -3.939 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.024 3.053 -3.475 0.20 0.00 N ATOM 254 N BLYS A 13 -9.632 3.129 -4.264 0.80 0.00 N ATOM 255 CA ALYS A 13 -8.700 2.492 -3.728 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.420 2.360 -4.516 0.80 0.00 C ATOM 257 C ALYS A 13 -7.890 3.403 -4.645 0.20 0.00 C ATOM 258 C BLYS A 13 -7.491 3.103 -5.471 0.80 0.00 C ATOM 259 O ALYS A 13 -8.428 3.994 -5.580 0.20 0.00 O ATOM 260 O BLYS A 13 -7.749 3.178 -6.673 0.80 0.00 O ATOM 261 CB ALYS A 13 -8.825 1.101 -4.354 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.773 0.989 -5.099 0.80 0.00 C ATOM 263 CG ALYS A 13 -7.508 0.546 -4.871 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.636 -0.014 -5.027 0.80 0.00 C ATOM 265 CD ALYS A 13 -7.695 -0.812 -5.527 0.20 0.00 C ATOM 266 CD BLYS A 13 -7.976 -1.298 -5.767 0.80 0.00 C ATOM 267 CE ALYS A 13 -7.530 -1.943 -4.524 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.401 -2.399 -4.805 0.80 0.00 C ATOM 269 NZ ALYS A 13 -7.935 -3.256 -5.096 0.20 0.00 N ATOM 270 NZ BLYS A 13 -8.949 -3.582 -5.525 0.80 0.00 N ATOM 0 H ALYS A 13 -10.795 2.498 -3.846 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.379 2.972 -4.940 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.179 2.409 -2.774 0.20 0.00 H new ATOM 0 HA BLYS A 13 -7.904 2.224 -3.566 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -9.233 0.414 -3.613 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.635 0.588 -4.565 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.539 1.145 -5.176 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.072 1.112 -6.140 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.076 1.242 -5.590 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -6.735 0.425 -5.454 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -6.800 0.459 -4.047 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.416 -0.242 -3.984 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -8.686 -0.866 -5.978 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.778 -1.107 -6.480 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -6.971 -0.931 -6.333 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.110 -1.629 -6.341 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -6.490 -1.993 -4.201 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -7.546 -2.705 -4.202 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -8.129 -1.733 -3.638 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -9.153 -2.011 -4.118 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -7.808 -4.000 -4.381 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -9.227 -4.310 -4.836 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -8.934 -3.217 -5.381 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -9.780 -3.296 -6.081 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -7.346 -3.469 -5.926 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -8.223 -3.968 -6.162 0.80 0.00 H new ATOM 297 N AARG A 14 -6.594 3.508 -4.370 0.20 0.00 N ATOM 298 N BARG A 14 -6.409 3.652 -4.928 0.80 0.00 N ATOM 299 CA AARG A 14 -5.710 4.347 -5.171 0.20 0.00 C ATOM 300 CA BARG A 14 -5.442 4.390 -5.732 0.80 0.00 C ATOM 301 C AARG A 14 -4.335 3.701 -5.317 0.20 0.00 C ATOM 302 C BARG A 14 -4.124 3.626 -5.833 0.80 0.00 C ATOM 303 O AARG A 14 -4.017 2.730 -4.631 0.20 0.00 O ATOM 304 O BARG A 14 -3.880 2.689 -5.075 0.80 0.00 O ATOM 305 CB AARG A 14 -5.570 5.731 -4.535 0.20 0.00 C ATOM 306 CB BARG A 14 -5.196 5.774 -5.129 0.80 0.00 C ATOM 307 CG AARG A 14 -6.364 6.812 -5.249 0.20 0.00 C ATOM 308 CG BARG A 14 -6.466 6.589 -4.939 0.80 0.00 C ATOM 309 CD AARG A 14 -5.692 8.171 -5.123 0.20 0.00 C ATOM 310 CD BARG A 14 -6.588 7.684 -5.986 0.80 0.00 C ATOM 311 NE AARG A 14 -5.733 8.920 -6.376 0.20 0.00 N ATOM 312 NE BARG A 14 -5.440 8.586 -5.970 0.80 0.00 N ATOM 313 CZ AARG A 14 -4.947 9.960 -6.638 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.303 9.618 -6.795 0.80 0.00 C ATOM 315 NH1AARG A 14 -4.066 10.371 -5.737 0.20 0.00 N ATOM 316 NH1BARG A 14 -6.240 9.875 -7.700 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.044 10.588 -7.802 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.231 10.395 -6.719 0.80 0.00 N ATOM 0 H AARG A 14 -6.133 3.023 -3.600 0.20 0.00 H new ATOM 0 H BARG A 14 -6.180 3.600 -3.935 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.151 4.454 -6.162 0.20 0.00 H new ATOM 0 HA BARG A 14 -5.853 4.506 -6.735 0.80 0.00 H new ATOM 0 HB2AARG A 14 -5.896 5.679 -3.496 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.701 5.658 -4.165 0.80 0.00 H new ATOM 0 HB3AARG A 14 -4.517 6.012 -4.525 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.513 6.326 -5.774 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.468 6.553 -6.303 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.333 5.931 -4.996 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.370 6.862 -4.832 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.468 7.034 -3.944 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.184 8.748 -4.340 0.20 0.00 H new ATOM 0 HD2BARG A 14 -6.681 7.232 -6.974 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.655 8.036 -4.815 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.500 8.254 -5.810 0.80 0.00 H new ATOM 0 HE AARG A 14 -6.401 8.629 -7.090 0.20 0.00 H new ATOM 0 HE BARG A 14 -4.702 8.414 -5.287 0.80 0.00 H new ATOM 0 HH11AARG A 14 -3.990 9.889 -4.841 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.066 9.280 -7.762 0.80 0.00 H new ATOM 0 HH12AARG A 14 -3.464 11.169 -5.940 0.20 0.00 H new ATOM 0 HH12BARG A 14 -6.134 10.668 -8.333 0.80 0.00 H new ATOM 0 HH21AARG A 14 -5.722 10.273 -8.496 0.20 0.00 H new ATOM 0 HH21BARG A 14 -3.509 10.201 -6.026 0.80 0.00 H new ATOM 0 HH22AARG A 14 -4.441 11.386 -8.003 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.129 11.187 -7.354 0.80 0.00 H new ATOM 345 N AMET A 15 -3.523 4.248 -6.218 0.20 0.00 N ATOM 346 N BMET A 15 -3.279 4.036 -6.774 0.80 0.00 N ATOM 347 CA AMET A 15 -2.182 3.725 -6.454 0.20 0.00 C ATOM 348 CA BMET A 15 -1.986 3.392 -6.973 0.80 0.00 C ATOM 349 C AMET A 15 -1.122 4.725 -6.001 0.20 0.00 C ATOM 350 C BMET A 15 -0.874 4.429 -7.085 0.80 0.00 C ATOM 351 O AMET A 15 -1.443 5.841 -5.594 0.20 0.00 O ATOM 352 O BMET A 15 -0.971 5.374 -7.870 0.80 0.00 O ATOM 353 CB AMET A 15 -1.993 3.399 -7.936 0.20 0.00 C ATOM 354 CB BMET A 15 -2.016 2.519 -8.229 0.80 0.00 C ATOM 355 CG AMET A 15 -1.580 1.959 -8.194 0.20 0.00 C ATOM 356 CG BMET A 15 -0.655 1.968 -8.618 0.80 0.00 C ATOM 357 SD AMET A 15 0.043 1.830 -8.972 0.20 0.00 S ATOM 358 SD BMET A 15 -0.061 2.623 -10.189 0.80 0.00 S ATOM 359 CE AMET A 15 -0.412 1.269 -10.611 0.20 0.00 C ATOM 360 CE BMET A 15 -0.167 1.167 -11.226 0.80 0.00 C ATOM 0 H AMET A 15 -3.770 5.052 -6.795 0.20 0.00 H new ATOM 0 H BMET A 15 -3.467 4.811 -7.410 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.067 2.811 -5.871 0.20 0.00 H new ATOM 0 HA BMET A 15 -1.784 2.762 -6.107 0.80 0.00 H new ATOM 0 HB2AMET A 15 -2.924 3.602 -8.466 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.703 1.688 -8.068 0.80 0.00 H new ATOM 0 HB3AMET A 15 -1.238 4.065 -8.353 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.413 3.104 -9.059 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.571 1.413 -7.251 0.20 0.00 H new ATOM 0 HG2BMET A 15 0.065 2.205 -7.835 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.323 1.481 -8.832 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.712 0.881 -8.681 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.487 1.142 -11.215 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.168 1.413 -12.234 0.80 0.00 H new ATOM 0 HE2AMET A 15 -0.937 0.317 -10.537 0.20 0.00 H new ATOM 0 HE2BMET A 15 0.466 0.381 -10.815 0.80 0.00 H new ATOM 0 HE3AMET A 15 -1.063 2.007 -11.080 0.20 0.00 H new ATOM 0 HE3BMET A 15 -1.200 0.820 -11.262 0.80 0.00 H new ATOM 379 N ASER A 16 0.140 4.315 -6.077 0.20 0.00 N ATOM 380 N BSER A 16 0.181 4.248 -6.298 0.80 0.00 N ATOM 381 CA ASER A 16 1.248 5.175 -5.671 0.20 0.00 C ATOM 382 CA BSER A 16 1.309 5.171 -6.307 0.80 0.00 C ATOM 383 C ASER A 16 1.884 5.849 -6.882 0.20 0.00 C ATOM 384 C BSER A 16 1.940 5.244 -7.695 0.80 0.00 C ATOM 385 O ASER A 16 2.360 6.981 -6.796 0.20 0.00 O ATOM 386 O BSER A 16 2.127 4.226 -8.359 0.80 0.00 O ATOM 387 CB ASER A 16 2.298 4.361 -4.913 0.20 0.00 C ATOM 388 CB BSER A 16 2.359 4.736 -5.282 0.80 0.00 C ATOM 389 OG ASER A 16 3.141 5.206 -4.148 0.20 0.00 O ATOM 390 OG BSER A 16 3.241 5.801 -4.970 0.80 0.00 O ATOM 0 H ASER A 16 0.421 3.395 -6.415 0.20 0.00 H new ATOM 0 H BSER A 16 0.278 3.470 -5.646 0.80 0.00 H new ATOM 0 HA ASER A 16 0.855 5.950 -5.013 0.20 0.00 H new ATOM 0 HA BSER A 16 0.938 6.161 -6.041 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.804 3.644 -4.257 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.864 4.392 -4.374 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.897 3.786 -5.619 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.927 3.893 -5.675 0.80 0.00 H new ATOM 0 HG ASER A 16 3.803 4.663 -3.671 0.20 0.00 H new ATOM 0 HG BSER A 16 3.901 5.497 -4.312 0.80 0.00 H new ATOM 401 N AARG A 17 1.889 5.144 -8.009 0.20 0.00 N ATOM 402 N BARG A 17 2.263 6.461 -8.126 0.80 0.00 N ATOM 403 CA AARG A 17 2.468 5.673 -9.238 0.20 0.00 C ATOM 404 CA BARG A 17 2.870 6.668 -9.435 0.80 0.00 C ATOM 405 C AARG A 17 3.992 5.643 -9.178 0.20 0.00 C ATOM 406 C BARG A 17 4.390 6.728 -9.326 0.80 0.00 C ATOM 407 O AARG A 17 4.643 4.994 -9.996 0.20 0.00 O ATOM 408 O BARG A 17 5.048 7.454 -10.070 0.80 0.00 O ATOM 409 CB AARG A 17 1.985 7.104 -9.480 0.20 0.00 C ATOM 410 CB BARG A 17 2.342 7.960 -10.064 0.80 0.00 C ATOM 411 CG AARG A 17 1.454 7.338 -10.885 0.20 0.00 C ATOM 412 CG BARG A 17 0.841 8.143 -9.912 0.80 0.00 C ATOM 413 CD AARG A 17 1.163 8.809 -11.133 0.20 0.00 C ATOM 414 CD BARG A 17 0.362 9.411 -10.600 0.80 0.00 C ATOM 415 NE AARG A 17 0.226 9.005 -12.235 0.20 0.00 N ATOM 416 NE BARG A 17 0.820 9.488 -11.985 0.80 0.00 N ATOM 417 CZ AARG A 17 0.583 8.988 -13.516 0.20 0.00 C ATOM 418 CZ BARG A 17 0.753 10.594 -12.719 0.80 0.00 C ATOM 419 NH1AARG A 17 1.851 8.788 -13.850 0.20 0.00 N ATOM 420 NH1BARG A 17 0.248 11.707 -12.206 0.80 0.00 N ATOM 421 NH2AARG A 17 -0.328 9.174 -14.461 0.20 0.00 N ATOM 422 NH2BARG A 17 1.192 10.586 -13.971 0.80 0.00 N ATOM 0 H AARG A 17 1.499 4.206 -8.096 0.20 0.00 H new ATOM 0 H BARG A 17 2.115 7.315 -7.589 0.80 0.00 H new ATOM 0 HA AARG A 17 2.141 5.042 -10.064 0.20 0.00 H new ATOM 0 HA BARG A 17 2.602 5.824 -10.071 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.201 7.341 -8.760 0.20 0.00 H new ATOM 0 HB2BARG A 17 2.851 8.810 -9.609 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.808 7.793 -9.292 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.595 7.967 -11.124 0.80 0.00 H new ATOM 0 HG2AARG A 17 2.182 6.982 -11.614 0.20 0.00 H new ATOM 0 HG2BARG A 17 0.324 7.281 -10.334 0.80 0.00 H new ATOM 0 HG3AARG A 17 0.544 6.756 -11.033 0.20 0.00 H new ATOM 0 HG3BARG A 17 0.584 8.183 -8.854 0.80 0.00 H new ATOM 0 HD2AARG A 17 0.754 9.255 -10.226 0.20 0.00 H new ATOM 0 HD2BARG A 17 -0.727 9.447 -10.576 0.80 0.00 H new ATOM 0 HD3AARG A 17 2.095 9.330 -11.353 0.20 0.00 H new ATOM 0 HD3BARG A 17 0.722 10.280 -10.050 0.80 0.00 H new ATOM 0 HE AARG A 17 -0.756 9.164 -12.010 0.20 0.00 H new ATOM 0 HE BARG A 17 1.212 8.648 -12.411 0.80 0.00 H new ATOM 0 HH11AARG A 17 2.553 8.647 -13.124 0.20 0.00 H new ATOM 0 HH11BARG A 17 -0.091 11.717 -11.244 0.80 0.00 H new ATOM 0 HH12AARG A 17 2.124 8.775 -14.833 0.20 0.00 H new ATOM 0 HH12BARG A 17 0.199 12.553 -12.773 0.80 0.00 H new ATOM 0 HH21AARG A 17 -1.303 9.330 -14.206 0.20 0.00 H new ATOM 0 HH21BARG A 17 1.581 9.731 -14.370 0.80 0.00 H new ATOM 0 HH22AARG A 17 -0.054 9.161 -15.443 0.20 0.00 H new ATOM 0 HH22BARG A 17 1.141 11.434 -14.535 0.80 0.00 H new ATOM 449 N AASN A 18 4.554 6.351 -8.202 0.20 0.00 N ATOM 450 N BASN A 18 4.943 5.961 -8.392 0.80 0.00 N ATOM 451 CA AASN A 18 6.002 6.406 -8.036 0.20 0.00 C ATOM 452 CA BASN A 18 6.385 5.927 -8.185 0.80 0.00 C ATOM 453 C AASN A 18 6.494 5.259 -7.156 0.20 0.00 C ATOM 454 C BASN A 18 6.883 4.489 -8.061 0.80 0.00 C ATOM 455 O AASN A 18 7.244 5.472 -6.204 0.20 0.00 O ATOM 456 O BASN A 18 7.702 4.034 -8.860 0.80 0.00 O ATOM 457 CB AASN A 18 6.415 7.747 -7.424 0.20 0.00 C ATOM 458 CB BASN A 18 6.759 6.718 -6.930 0.80 0.00 C ATOM 459 CG AASN A 18 7.918 7.947 -7.433 0.20 0.00 C ATOM 460 CG BASN A 18 6.783 8.216 -7.176 0.80 0.00 C ATOM 461 OD1AASN A 18 8.669 7.087 -7.898 0.20 0.00 O ATOM 462 OD1BASN A 18 6.556 8.674 -8.295 0.80 0.00 O ATOM 463 ND2AASN A 18 8.365 9.085 -6.917 0.20 0.00 N ATOM 464 ND2BASN A 18 7.061 8.983 -6.129 0.80 0.00 N ATOM 0 H AASN A 18 4.029 6.893 -7.516 0.20 0.00 H new ATOM 0 H BASN A 18 4.413 5.354 -7.766 0.80 0.00 H new ATOM 0 HA AASN A 18 6.460 6.306 -9.020 0.20 0.00 H new ATOM 0 HA BASN A 18 6.863 6.385 -9.051 0.80 0.00 H new ATOM 0 HB2AASN A 18 5.940 8.557 -7.977 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.046 6.494 -6.137 0.80 0.00 H new ATOM 0 HB3AASN A 18 6.050 7.803 -6.399 0.20 0.00 H new ATOM 0 HB3BASN A 18 7.739 6.394 -6.578 0.80 0.00 H new ATOM 0 HD21AASN A 18 9.367 9.276 -6.894 0.20 0.00 H new ATOM 0 HD21BASN A 18 7.093 9.997 -6.234 0.80 0.00 H new ATOM 0 HD22AASN A 18 7.707 9.769 -6.543 0.20 0.00 H new ATOM 0 HD22BASN A 18 7.243 8.558 -5.220 0.80 0.00 H new ATOM 477 N ASER A 19 6.065 4.045 -7.483 0.20 0.00 N ATOM 478 N BSER A 19 6.383 3.781 -7.054 0.80 0.00 N ATOM 479 CA ASER A 19 6.458 2.865 -6.721 0.20 0.00 C ATOM 480 CA BSER A 19 6.779 2.396 -6.821 0.80 0.00 C ATOM 481 C ASER A 19 5.809 1.607 -7.294 0.20 0.00 C ATOM 482 C BSER A 19 5.701 1.435 -7.310 0.80 0.00 C ATOM 483 O ASER A 19 6.485 0.749 -7.858 0.20 0.00 O ATOM 484 O BSER A 19 5.968 0.536 -8.109 0.80 0.00 O ATOM 485 CB ASER A 19 6.069 3.028 -5.250 0.20 0.00 C ATOM 486 CB BSER A 19 7.051 2.164 -5.335 0.80 0.00 C ATOM 487 OG ASER A 19 7.194 2.867 -4.404 0.20 0.00 O ATOM 488 OG BSER A 19 5.876 2.353 -4.565 0.80 0.00 O ATOM 0 H ASER A 19 5.445 3.852 -8.270 0.20 0.00 H new ATOM 0 H BSER A 19 5.703 4.143 -6.386 0.80 0.00 H new ATOM 0 HA ASER A 19 7.541 2.760 -6.794 0.20 0.00 H new ATOM 0 HA BSER A 19 7.693 2.205 -7.383 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.631 4.014 -5.094 0.20 0.00 H new ATOM 0 HB2BSER A 19 7.429 1.153 -5.185 0.80 0.00 H new ATOM 0 HB3ASER A 19 5.306 2.295 -4.989 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.827 2.848 -4.993 0.80 0.00 H new ATOM 0 HG ASER A 19 6.919 2.978 -3.470 0.20 0.00 H new ATOM 0 HG BSER A 19 6.077 2.197 -3.619 0.80 0.00 H new ATOM 499 N AGLY A 20 4.492 1.508 -7.144 0.20 0.00 N ATOM 500 N BGLY A 20 4.479 1.628 -6.824 0.80 0.00 N ATOM 501 CA AGLY A 20 3.773 0.353 -7.649 0.20 0.00 C ATOM 502 CA BGLY A 20 3.378 0.771 -7.220 0.80 0.00 C ATOM 503 C AGLY A 20 2.766 -0.186 -6.653 0.20 0.00 C ATOM 504 C BGLY A 20 2.677 0.140 -6.032 0.80 0.00 C ATOM 505 O AGLY A 20 1.747 -0.758 -7.037 0.20 0.00 O ATOM 506 O BGLY A 20 2.164 -0.976 -6.126 0.80 0.00 O ATOM 0 H AGLY A 20 3.910 2.207 -6.682 0.20 0.00 H new ATOM 0 H BGLY A 20 4.232 2.364 -6.162 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.258 0.624 -8.571 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.658 1.353 -7.796 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.485 -0.432 -7.901 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.751 -0.015 -7.877 0.80 0.00 H new ATOM 513 N AARG A 21 3.053 -0.005 -5.367 0.20 0.00 N ATOM 514 N BARG A 21 2.655 0.855 -4.913 0.80 0.00 N ATOM 515 CA AARG A 21 2.166 -0.481 -4.313 0.20 0.00 C ATOM 516 CA BARG A 21 2.014 0.358 -3.702 0.80 0.00 C ATOM 517 C AARG A 21 0.768 0.107 -4.473 0.20 0.00 C ATOM 518 C BARG A 21 0.573 0.851 -3.606 0.80 0.00 C ATOM 519 O AARG A 21 0.491 0.829 -5.432 0.20 0.00 O ATOM 520 O BARG A 21 0.320 2.054 -3.552 0.80 0.00 O ATOM 521 CB AARG A 21 2.730 -0.114 -2.939 0.20 0.00 C ATOM 522 CB BARG A 21 2.798 0.801 -2.464 0.80 0.00 C ATOM 523 CG AARG A 21 4.158 -0.588 -2.721 0.20 0.00 C ATOM 524 CG BARG A 21 3.670 -0.295 -1.872 0.80 0.00 C ATOM 525 CD AARG A 21 4.741 -0.030 -1.432 0.20 0.00 C ATOM 526 CD BARG A 21 4.891 0.282 -1.175 0.80 0.00 C ATOM 527 NE AARG A 21 3.783 -0.083 -0.331 0.20 0.00 N ATOM 528 NE BARG A 21 4.530 1.277 -0.169 0.80 0.00 N ATOM 529 CZ AARG A 21 3.865 0.682 0.753 0.20 0.00 C ATOM 530 CZ BARG A 21 5.325 1.633 0.834 0.80 0.00 C ATOM 531 NH1AARG A 21 4.857 1.553 0.880 0.20 0.00 N ATOM 532 NH1BARG A 21 6.522 1.077 0.963 0.80 0.00 N ATOM 533 NH2AARG A 21 2.955 0.577 1.712 0.20 0.00 N ATOM 534 NH2BARG A 21 4.923 2.545 1.709 0.80 0.00 N ATOM 0 H AARG A 21 3.892 0.467 -5.031 0.20 0.00 H new ATOM 0 H BARG A 21 3.074 1.780 -4.820 0.80 0.00 H new ATOM 0 HA AARG A 21 2.097 -1.566 -4.393 0.20 0.00 H new ATOM 0 HA BARG A 21 2.005 -0.731 -3.749 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.693 0.969 -2.818 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.427 1.652 -2.727 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.092 -0.543 -2.167 0.20 0.00 H new ATOM 0 HB3BARG A 21 2.097 1.146 -1.704 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.180 -1.677 -2.690 0.20 0.00 H new ATOM 0 HG2BARG A 21 3.087 -0.882 -1.162 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.777 -0.281 -3.564 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.988 -0.975 -2.662 0.80 0.00 H new ATOM 0 HD2AARG A 21 5.634 -0.595 -1.163 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.453 -0.524 -0.702 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.053 1.002 -1.592 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.549 0.738 -1.915 0.80 0.00 H new ATOM 0 HE AARG A 21 3.008 -0.743 -0.397 0.20 0.00 H new ATOM 0 HE BARG A 21 3.616 1.724 -0.240 0.80 0.00 H new ATOM 0 HH11AARG A 21 5.559 1.637 0.145 0.20 0.00 H new ATOM 0 HH11BARG A 21 6.833 0.375 0.292 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.918 2.139 1.713 0.20 0.00 H new ATOM 0 HH12BARG A 21 7.131 1.351 1.734 0.80 0.00 H new ATOM 0 HH21AARG A 21 2.190 -0.092 1.619 0.20 0.00 H new ATOM 0 HH21BARG A 21 4.003 2.974 1.612 0.80 0.00 H new ATOM 0 HH22AARG A 21 3.020 1.165 2.543 0.20 0.00 H new ATOM 0 HH22BARG A 21 5.534 2.818 2.479 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.113 -0.206 -3.528 0.20 0.00 N ATOM 562 N BVAL A 22 -0.368 -0.088 -3.586 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.482 0.292 -3.563 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.784 0.251 -3.496 0.80 0.00 C ATOM 565 C AVAL A 22 -1.972 0.655 -2.165 0.20 0.00 C ATOM 566 C BVAL A 22 -2.158 0.677 -2.081 0.80 0.00 C ATOM 567 O AVAL A 22 -1.365 0.273 -1.165 0.20 0.00 O ATOM 568 O BVAL A 22 -1.670 0.113 -1.102 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.441 -0.748 -4.175 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.672 -0.936 -3.915 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.287 -0.790 -5.688 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.142 -0.594 -3.730 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.197 -2.120 -3.568 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.387 -1.332 -5.356 0.80 0.00 C ATOM 0 H AVAL A 22 0.098 -0.803 -2.728 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.176 -1.089 -3.631 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.477 1.186 -4.187 0.20 0.00 H new ATOM 0 HA BVAL A 22 -1.955 1.083 -4.180 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.465 -0.452 -3.946 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.437 -1.786 -3.275 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -2.972 -1.530 -6.103 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.754 -1.444 -4.031 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.516 0.191 -6.104 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.333 -0.363 -2.682 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.262 -1.061 -5.942 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.395 0.270 -4.344 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.883 -2.841 -4.012 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.023 -2.172 -5.635 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.170 -2.427 -3.765 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.593 -0.487 -6.013 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.363 -2.076 -2.492 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.341 -1.621 -5.454 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.073 1.396 -2.104 0.20 0.00 N ATOM 594 N BTYR A 23 -3.027 1.676 -1.983 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.643 1.813 -0.830 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.468 2.181 -0.686 0.80 0.00 C ATOM 597 C ATYR A 23 -5.085 2.281 -1.004 0.20 0.00 C ATOM 598 C BTYR A 23 -4.927 2.620 -0.739 0.80 0.00 C ATOM 599 O ATYR A 23 -5.659 2.169 -2.088 0.20 0.00 O ATOM 600 O BTYR A 23 -5.569 2.556 -1.788 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.803 2.933 -0.214 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.586 3.353 -0.246 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.710 4.167 -1.083 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.609 4.521 -1.206 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.713 5.128 -1.069 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.528 5.552 -1.054 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.619 4.371 -1.919 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.713 4.592 -2.264 0.80 0.00 C ATOM 609 CE1ATYR A 23 -3.633 6.257 -1.862 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.552 6.622 -1.928 0.80 0.00 C ATOM 611 CE2ATYR A 23 -1.529 5.499 -2.713 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.728 5.658 -3.143 0.80 0.00 C ATOM 613 CZ ATYR A 23 -2.538 6.438 -2.681 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.651 6.671 -2.971 0.80 0.00 C ATOM 615 OH ATYR A 23 -2.453 7.560 -3.472 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.670 7.733 -3.846 0.80 0.00 O ATOM 0 H ATYR A 23 -3.588 1.720 -2.923 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.440 2.153 -2.784 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.638 0.953 -0.160 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.378 1.373 0.040 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.231 3.209 0.750 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -2.913 3.694 0.736 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.798 2.558 -0.021 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.559 3.003 -0.137 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -4.571 4.990 -0.427 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.236 5.516 -0.239 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.828 3.636 -1.949 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -0.992 3.800 -2.402 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -4.423 6.993 -1.841 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.272 7.416 -1.795 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -0.673 5.644 -3.355 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.022 5.699 -3.960 0.80 0.00 H new ATOM 0 HH ATYR A 23 -2.124 7.310 -4.361 0.20 0.00 H new ATOM 0 HH BTYR A 23 -1.970 7.613 -4.521 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.664 2.804 0.070 0.20 0.00 N ATOM 636 N BTYR A 24 -5.447 3.066 0.401 0.80 0.00 N ATOM 637 CA ATYR A 24 -7.039 3.288 0.038 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.831 3.514 0.486 0.80 0.00 C ATOM 639 C ATYR A 24 -7.132 4.704 0.596 0.20 0.00 C ATOM 640 C BTYR A 24 -6.906 4.967 0.946 0.80 0.00 C ATOM 641 O ATYR A 24 -6.487 5.034 1.592 0.20 0.00 O ATOM 642 O BTYR A 24 -6.232 5.364 1.897 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.950 2.352 0.835 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.619 2.621 1.445 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.835 0.901 0.424 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.376 1.143 1.235 0.80 0.00 C ATOM 647 CD1ATYR A 24 -8.559 0.405 -0.654 0.20 0.00 C ATOM 648 CD1BTYR A 24 -8.244 0.380 0.463 0.80 0.00 C ATOM 649 CD2ATYR A 24 -7.005 0.026 1.115 0.20 0.00 C ATOM 650 CD2BTYR A 24 -6.280 0.511 1.806 0.80 0.00 C ATOM 651 CE1ATYR A 24 -8.457 -0.919 -1.031 0.20 0.00 C ATOM 652 CE1BTYR A 24 -8.028 -0.970 0.269 0.80 0.00 C ATOM 653 CE2ATYR A 24 -6.897 -1.299 0.743 0.20 0.00 C ATOM 654 CE2BTYR A 24 -6.055 -0.839 1.617 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.626 -1.767 -0.330 0.20 0.00 C ATOM 656 CZ BTYR A 24 -6.930 -1.575 0.848 0.80 0.00 C ATOM 657 OH ATYR A 24 -7.520 -3.088 -0.702 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.710 -2.919 0.657 0.80 0.00 O ATOM 0 H ATYR A 24 -5.203 2.904 0.974 0.20 0.00 H new ATOM 0 H BTYR A 24 -4.930 3.126 1.278 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.367 3.305 -1.001 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.271 3.445 -0.509 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.711 2.441 1.895 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.356 2.882 2.470 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.984 2.675 0.714 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.683 2.826 1.327 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -9.212 1.066 -1.205 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -9.102 0.851 0.007 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -6.435 0.389 1.957 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -5.591 1.085 2.408 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -9.026 -1.289 -1.871 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -8.714 -1.549 -0.332 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -6.245 -1.965 1.289 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -5.198 -1.315 2.070 0.80 0.00 H new ATOM 0 HH ATYR A 24 -6.892 -3.547 -0.105 0.20 0.00 H new ATOM 0 HH BTYR A 24 -5.895 -3.188 1.131 0.80 0.00 H new ATOM 677 N APHE A 25 -7.940 5.538 -0.052 0.20 0.00 N ATOM 678 N BPHE A 25 -7.731 5.755 0.265 0.80 0.00 N ATOM 679 CA APHE A 25 -8.119 6.919 0.380 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.895 7.164 0.604 0.80 0.00 C ATOM 681 C APHE A 25 -9.599 7.249 0.547 0.20 0.00 C ATOM 682 C BPHE A 25 -9.362 7.492 0.871 0.80 0.00 C ATOM 683 O APHE A 25 -10.378 7.157 -0.401 0.20 0.00 O ATOM 684 O BPHE A 25 -10.255 6.971 0.205 0.80 0.00 O ATOM 685 CB APHE A 25 -7.482 7.876 -0.629 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.363 8.046 -0.527 0.80 0.00 C ATOM 687 CG APHE A 25 -7.718 9.326 -0.312 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.759 9.490 -0.398 0.80 0.00 C ATOM 689 CD1APHE A 25 -6.787 10.050 0.416 0.20 0.00 C ATOM 690 CD1BPHE A 25 -7.320 10.250 0.676 0.80 0.00 C ATOM 691 CD2APHE A 25 -8.871 9.964 -0.743 0.20 0.00 C ATOM 692 CD2BPHE A 25 -8.569 10.086 -1.349 0.80 0.00 C ATOM 693 CE1APHE A 25 -7.002 11.384 0.709 0.20 0.00 C ATOM 694 CE1BPHE A 25 -7.683 11.577 0.797 0.80 0.00 C ATOM 695 CE2APHE A 25 -9.091 11.297 -0.451 0.20 0.00 C ATOM 696 CE2BPHE A 25 -8.934 11.414 -1.233 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.156 12.008 0.275 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.493 12.161 -0.157 0.80 0.00 C ATOM 0 H APHE A 25 -8.481 5.281 -0.878 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.296 5.442 -0.524 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.627 7.039 1.345 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.325 7.363 1.511 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.409 7.690 -0.666 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.275 7.976 -0.550 0.80 0.00 H new ATOM 0 HB3APHE A 25 -7.877 7.660 -1.622 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.728 7.661 -1.479 0.80 0.00 H new ATOM 0 HD1APHE A 25 -5.884 9.567 0.758 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -6.687 9.799 1.426 0.80 0.00 H new ATOM 0 HD2APHE A 25 -9.605 9.414 -1.313 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -8.920 9.507 -2.191 0.80 0.00 H new ATOM 0 HE1APHE A 25 -6.269 11.938 1.277 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -7.333 12.158 1.638 0.80 0.00 H new ATOM 0 HE2APHE A 25 -9.994 11.782 -0.791 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -9.564 11.868 -1.983 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.326 13.050 0.503 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.781 13.198 -0.063 0.80 0.00 H new ATOM 717 N AASN A 26 -9.981 7.636 1.760 0.20 0.00 N ATOM 718 N BASN A 26 -9.599 8.356 1.851 0.80 0.00 N ATOM 719 CA AASN A 26 -11.367 7.979 2.053 0.20 0.00 C ATOM 720 CA BASN A 26 -10.957 8.752 2.209 0.80 0.00 C ATOM 721 C AASN A 26 -11.682 9.403 1.603 0.20 0.00 C ATOM 722 C BASN A 26 -11.199 10.221 1.878 0.80 0.00 C ATOM 723 O AASN A 26 -10.998 10.352 1.987 0.20 0.00 O ATOM 724 O BASN A 26 -10.483 11.103 2.355 0.80 0.00 O ATOM 725 CB AASN A 26 -11.645 7.834 3.550 0.20 0.00 C ATOM 726 CB BASN A 26 -11.206 8.505 3.699 0.80 0.00 C ATOM 727 CG AASN A 26 -13.128 7.764 3.859 0.20 0.00 C ATOM 728 CG BASN A 26 -12.684 8.469 4.038 0.80 0.00 C ATOM 729 OD1AASN A 26 -13.934 8.470 3.250 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.494 9.148 3.408 0.80 0.00 O ATOM 731 ND2AASN A 26 -13.497 6.912 4.809 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.041 7.673 5.040 0.80 0.00 N ATOM 0 H AASN A 26 -9.349 7.720 2.556 0.20 0.00 H new ATOM 0 H BASN A 26 -8.869 8.796 2.412 0.80 0.00 H new ATOM 0 HA AASN A 26 -12.009 7.291 1.502 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.652 8.147 1.626 0.80 0.00 H new ATOM 0 HB2AASN A 26 -11.156 6.933 3.922 0.20 0.00 H new ATOM 0 HB2BASN A 26 -10.746 7.561 3.990 0.80 0.00 H new ATOM 0 HB3AASN A 26 -11.205 8.678 4.082 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.721 9.289 4.281 0.80 0.00 H new ATOM 0 HD21AASN A 26 -14.482 6.823 5.060 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.021 7.607 5.315 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.796 6.347 5.288 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.335 7.128 5.535 0.80 0.00 H new ATOM 745 N AHIS A 27 -12.721 9.543 0.785 0.20 0.00 N ATOM 746 N BHIS A 27 -12.214 10.478 1.057 0.80 0.00 N ATOM 747 CA AHIS A 27 -13.127 10.849 0.283 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.552 11.841 0.663 0.80 0.00 C ATOM 749 C AHIS A 27 -14.163 11.488 1.204 0.20 0.00 C ATOM 750 C BHIS A 27 -13.382 12.528 1.744 0.80 0.00 C ATOM 751 O AHIS A 27 -15.065 12.190 0.747 0.20 0.00 O ATOM 752 O BHIS A 27 -13.478 13.755 1.780 0.80 0.00 O ATOM 753 CB AHIS A 27 -13.696 10.723 -1.130 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.318 11.836 -0.660 0.80 0.00 C ATOM 755 CG AHIS A 27 -15.032 10.050 -1.181 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.507 10.925 -0.660 0.80 0.00 C ATOM 757 ND1AHIS A 27 -15.681 9.300 -0.259 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.742 11.301 -0.173 0.80 0.00 N ATOM 759 CD2AHIS A 27 -15.865 10.110 -2.278 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.647 9.650 -1.092 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.881 8.925 -0.811 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.589 10.295 -0.305 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.968 9.426 -2.030 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -15.948 9.282 -0.861 0.80 0.00 N ATOM 0 H AHIS A 27 -13.296 8.767 0.456 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.816 9.760 0.653 0.80 0.00 H new ATOM 0 HA AHIS A 27 -12.245 11.489 0.256 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.624 12.398 0.534 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -13.783 11.718 -1.568 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.648 12.851 -0.883 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.993 10.163 -1.747 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.642 11.537 -1.461 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -15.649 10.635 -3.197 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.877 9.036 -1.536 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -17.632 8.319 -0.327 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.628 10.300 -0.009 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -17.753 9.305 -2.671 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.355 8.373 -1.083 0.80 0.00 H new ATOM 779 N AILE A 28 -14.027 11.238 2.502 0.20 0.00 N ATOM 780 N BILE A 28 -13.982 11.730 2.620 0.80 0.00 N ATOM 781 CA AILE A 28 -14.950 11.787 3.488 0.20 0.00 C ATOM 782 CA BILE A 28 -14.804 12.263 3.699 0.80 0.00 C ATOM 783 C AILE A 28 -14.226 12.698 4.472 0.20 0.00 C ATOM 784 C BILE A 28 -13.941 12.711 4.876 0.80 0.00 C ATOM 785 O AILE A 28 -14.738 13.749 4.857 0.20 0.00 O ATOM 786 O BILE A 28 -14.147 13.788 5.436 0.80 0.00 O ATOM 787 CB AILE A 28 -15.670 10.674 4.268 0.20 0.00 C ATOM 788 CB BILE A 28 -15.826 11.223 4.194 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.618 9.905 3.347 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.774 10.825 3.060 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.429 11.259 5.449 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.611 11.771 5.376 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.859 10.685 2.971 0.20 0.00 C ATOM 794 CD1BILE A 28 -17.815 9.811 3.468 0.80 0.00 C ATOM 0 H AILE A 28 -13.286 10.658 2.896 0.20 0.00 H new ATOM 0 H BILE A 28 -13.914 10.712 2.604 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.690 12.368 2.937 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.339 13.122 3.294 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.923 9.979 4.650 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.286 10.335 4.521 0.80 0.00 H new ATOM 0 HG12AILE A 28 -16.084 9.628 2.438 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.276 11.718 2.687 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.916 8.978 3.837 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.189 10.420 2.234 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.933 10.458 5.990 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.329 11.024 5.714 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.731 11.764 6.116 0.20 0.00 H new ATOM 0 HG22BILE A 28 -15.925 12.009 6.189 0.80 0.00 H new ATOM 0 HG23AILE A 28 -17.168 11.974 5.088 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.142 12.673 5.073 0.80 0.00 H new ATOM 0 HD11AILE A 28 -18.485 10.079 2.317 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.450 9.578 2.613 0.80 0.00 H new ATOM 0 HD12AILE A 28 -18.416 10.940 3.873 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.322 8.902 3.813 0.80 0.00 H new ATOM 0 HD13AILE A 28 -17.571 11.599 2.452 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.426 10.220 4.273 0.80 0.00 H new ATOM 817 N ATHR A 29 -13.027 12.289 4.876 0.20 0.00 N ATOM 818 N BTHR A 29 -12.975 11.877 5.246 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.229 13.065 5.818 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.082 12.188 6.354 0.80 0.00 C ATOM 821 C ATHR A 29 -10.789 13.198 5.338 0.20 0.00 C ATOM 822 C BTHR A 29 -10.804 12.859 5.861 0.80 0.00 C ATOM 823 O ATHR A 29 -9.876 13.401 6.136 0.20 0.00 O ATOM 824 O BTHR A 29 -10.086 13.489 6.635 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.235 12.429 7.220 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.708 10.920 7.147 0.80 0.00 C ATOM 827 OG1ATHR A 29 -11.348 11.306 7.252 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.724 9.779 6.282 0.80 0.00 O ATOM 829 CG2ATHR A 29 -13.638 11.984 7.605 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.674 10.701 8.303 0.80 0.00 C ATOM 0 H ATHR A 29 -12.587 11.423 4.565 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.791 10.981 4.794 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.683 14.054 5.876 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.620 12.874 7.009 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.898 13.178 7.937 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.705 11.053 7.552 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -11.356 10.908 8.148 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -10.895 9.269 6.398 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -13.618 11.538 8.599 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.391 9.801 8.848 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -14.305 12.846 7.607 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.638 11.559 8.975 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.997 11.249 6.884 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.686 10.587 7.915 0.80 0.00 H new ATOM 845 N AASN A 30 -10.593 13.082 4.029 0.20 0.00 N ATOM 846 N BASN A 30 -10.530 12.720 4.569 0.80 0.00 N ATOM 847 CA AASN A 30 -9.260 13.189 3.444 0.20 0.00 C ATOM 848 CA BASN A 30 -9.339 13.313 3.971 0.80 0.00 C ATOM 849 C AASN A 30 -8.244 12.394 4.255 0.20 0.00 C ATOM 850 C BASN A 30 -8.073 12.683 4.543 0.80 0.00 C ATOM 851 O AASN A 30 -7.546 12.944 5.106 0.20 0.00 O ATOM 852 O BASN A 30 -7.153 13.385 4.960 0.80 0.00 O ATOM 853 CB AASN A 30 -8.832 14.655 3.364 0.20 0.00 C ATOM 854 CB BASN A 30 -9.323 14.824 4.210 0.80 0.00 C ATOM 855 CG AASN A 30 -7.358 14.810 3.043 0.20 0.00 C ATOM 856 CG BASN A 30 -8.612 15.577 3.102 0.80 0.00 C ATOM 857 OD1AASN A 30 -6.918 14.514 1.932 0.20 0.00 O ATOM 858 OD1BASN A 30 -9.198 16.438 2.446 0.80 0.00 O ATOM 859 ND2AASN A 30 -6.587 15.277 4.018 0.20 0.00 N ATOM 860 ND2BASN A 30 -7.341 15.254 2.890 0.80 0.00 N ATOM 0 H AASN A 30 -11.338 12.914 3.353 0.20 0.00 H new ATOM 0 H BASN A 30 -11.116 12.202 3.915 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.298 12.773 2.437 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.366 13.121 2.898 0.80 0.00 H new ATOM 0 HB2AASN A 30 -9.423 15.162 2.601 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.347 15.187 4.293 0.80 0.00 H new ATOM 0 HB3AASN A 30 -9.048 15.146 4.313 0.20 0.00 H new ATOM 0 HB3BASN A 30 -8.833 15.034 5.161 0.80 0.00 H new ATOM 0 HD21AASN A 30 -5.587 15.403 3.861 0.20 0.00 H new ATOM 0 HD21BASN A 30 -6.810 15.726 2.158 0.80 0.00 H new ATOM 0 HD22AASN A 30 -6.995 15.510 4.924 0.20 0.00 H new ATOM 0 HD22BASN A 30 -6.896 14.534 3.459 0.80 0.00 H new ATOM 873 N AALA A 31 -8.165 11.095 3.986 0.20 0.00 N ATOM 874 N BALA A 31 -8.034 11.355 4.558 0.80 0.00 N ATOM 875 CA AALA A 31 -7.233 10.223 4.691 0.20 0.00 C ATOM 876 CA BALA A 31 -6.881 10.630 5.075 0.80 0.00 C ATOM 877 C AALA A 31 -6.590 9.221 3.737 0.20 0.00 C ATOM 878 C BALA A 31 -6.658 9.331 4.310 0.80 0.00 C ATOM 879 O AALA A 31 -7.266 8.632 2.893 0.20 0.00 O ATOM 880 O BALA A 31 -7.561 8.837 3.630 0.80 0.00 O ATOM 881 CB AALA A 31 -7.941 9.497 5.824 0.20 0.00 C ATOM 882 CB BALA A 31 -7.058 10.346 6.561 0.80 0.00 C ATOM 0 H AALA A 31 -8.735 10.623 3.285 0.20 0.00 H new ATOM 0 H BALA A 31 -8.789 10.759 4.218 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.442 10.844 5.112 0.20 0.00 H new ATOM 0 HA BALA A 31 -6.000 11.256 4.938 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.232 8.850 6.341 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.189 9.804 6.934 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.346 10.226 6.526 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.158 11.287 7.102 0.80 0.00 H new ATOM 0 HB3AALA A 31 -8.753 8.894 5.418 0.20 0.00 H new ATOM 0 HB3BALA A 31 -7.954 9.744 6.712 0.80 0.00 H new ATOM 893 N ASER A 32 -5.281 9.035 3.876 0.20 0.00 N ATOM 894 N BSER A 32 -5.455 8.780 4.421 0.80 0.00 N ATOM 895 CA ASER A 32 -4.547 8.108 3.023 0.20 0.00 C ATOM 896 CA BSER A 32 -5.113 7.540 3.735 0.80 0.00 C ATOM 897 C ASER A 32 -3.940 6.975 3.846 0.20 0.00 C ATOM 898 C BSER A 32 -4.402 6.574 4.678 0.80 0.00 C ATOM 899 O ASER A 32 -2.803 7.072 4.309 0.20 0.00 O ATOM 900 O BSER A 32 -3.764 6.992 5.644 0.80 0.00 O ATOM 901 CB ASER A 32 -3.444 8.846 2.260 0.20 0.00 C ATOM 902 CB BSER A 32 -4.227 7.831 2.521 0.80 0.00 C ATOM 903 OG ASER A 32 -3.705 8.855 0.868 0.20 0.00 O ATOM 904 OG BSER A 32 -3.963 9.217 2.403 0.80 0.00 O ATOM 0 H ASER A 32 -4.708 9.514 4.571 0.20 0.00 H new ATOM 0 H BSER A 32 -4.699 9.173 4.981 0.80 0.00 H new ATOM 0 HA ASER A 32 -5.249 7.679 2.308 0.20 0.00 H new ATOM 0 HA BSER A 32 -6.039 7.074 3.397 0.80 0.00 H new ATOM 0 HB2ASER A 32 -3.368 9.870 2.625 0.20 0.00 H new ATOM 0 HB2BSER A 32 -3.288 7.285 2.613 0.80 0.00 H new ATOM 0 HB3ASER A 32 -2.483 8.367 2.450 0.20 0.00 H new ATOM 0 HB3BSER A 32 -4.716 7.472 1.615 0.80 0.00 H new ATOM 0 HG ASER A 32 -2.987 9.334 0.404 0.20 0.00 H new ATOM 0 HG BSER A 32 -3.394 9.376 1.621 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.707 5.905 4.024 0.20 0.00 N ATOM 916 N BGLN A 33 -4.518 5.282 4.391 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.245 4.755 4.792 0.20 0.00 C ATOM 918 CA BGLN A 33 -3.888 4.257 5.213 0.80 0.00 C ATOM 919 C AGLN A 33 -3.923 3.580 3.875 0.20 0.00 C ATOM 920 C BGLN A 33 -3.561 3.018 4.385 0.80 0.00 C ATOM 921 O AGLN A 33 -4.723 3.217 3.012 0.20 0.00 O ATOM 922 O BGLN A 33 -4.301 2.660 3.468 0.80 0.00 O ATOM 923 CB AGLN A 33 -5.303 4.342 5.817 0.20 0.00 C ATOM 924 CB BGLN A 33 -4.798 3.878 6.382 0.80 0.00 C ATOM 925 CG AGLN A 33 -4.764 3.449 6.923 0.20 0.00 C ATOM 926 CG BGLN A 33 -6.006 3.052 5.968 0.80 0.00 C ATOM 927 CD AGLN A 33 -5.842 2.596 7.563 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.965 2.807 7.116 0.80 0.00 C ATOM 929 OE1AGLN A 33 -6.883 2.335 6.959 0.20 0.00 O ATOM 930 OE1BGLN A 33 -7.330 3.730 7.843 0.80 0.00 O ATOM 931 NE2AGLN A 33 -5.598 2.159 8.793 0.20 0.00 N ATOM 932 NE2BGLN A 33 -7.381 1.557 7.283 0.80 0.00 N ATOM 0 H AGLN A 33 -5.650 5.810 3.647 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.043 4.920 3.595 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.333 5.043 5.316 0.20 0.00 H new ATOM 0 HA BGLN A 33 -2.957 4.665 5.605 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -5.734 5.238 6.263 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -4.219 3.317 7.116 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -6.111 3.822 5.303 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -5.141 4.788 6.874 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -3.988 2.801 6.516 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -6.533 3.564 5.162 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -4.294 4.068 7.688 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -5.668 2.095 5.571 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -4.721 2.400 9.255 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -7.053 0.822 6.656 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -6.287 1.582 9.275 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -8.029 1.332 8.038 0.80 0.00 H new ATOM 949 N APHE A 34 -2.747 2.991 4.065 0.20 0.00 N ATOM 950 N BPHE A 34 -2.449 2.369 4.714 0.80 0.00 N ATOM 951 CA APHE A 34 -2.319 1.858 3.253 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.024 1.172 3.998 0.80 0.00 C ATOM 953 C APHE A 34 -3.047 0.583 3.672 0.20 0.00 C ATOM 954 C BPHE A 34 -2.810 -0.050 4.469 0.80 0.00 C ATOM 955 O APHE A 34 -3.238 -0.327 2.867 0.20 0.00 O ATOM 956 O BPHE A 34 -3.081 -0.963 3.690 0.80 0.00 O ATOM 957 CB APHE A 34 -0.808 1.659 3.375 0.20 0.00 C ATOM 958 CB BPHE A 34 -0.526 0.936 4.200 0.80 0.00 C ATOM 959 CG APHE A 34 -0.026 2.939 3.296 0.20 0.00 C ATOM 960 CG BPHE A 34 0.334 2.027 3.630 0.80 0.00 C ATOM 961 CD1APHE A 34 0.499 3.519 4.441 0.20 0.00 C ATOM 962 CD1BPHE A 34 1.187 2.753 4.447 0.80 0.00 C ATOM 963 CD2APHE A 34 0.184 3.564 2.076 0.20 0.00 C ATOM 964 CD2BPHE A 34 0.290 2.329 2.280 0.80 0.00 C ATOM 965 CE1APHE A 34 1.218 4.697 4.370 0.20 0.00 C ATOM 966 CE1BPHE A 34 1.980 3.758 3.927 0.80 0.00 C ATOM 967 CE2APHE A 34 0.903 4.741 2.001 0.20 0.00 C ATOM 968 CE2BPHE A 34 1.079 3.334 1.753 0.80 0.00 C ATOM 969 CZ APHE A 34 1.420 5.309 3.148 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.926 4.049 2.578 0.80 0.00 C ATOM 0 H APHE A 34 -2.073 3.280 4.774 0.20 0.00 H new ATOM 0 H BPHE A 34 -1.827 2.652 5.471 0.80 0.00 H new ATOM 0 HA APHE A 34 -2.568 2.073 2.214 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.221 1.324 2.937 0.80 0.00 H new ATOM 0 HB2APHE A 34 -0.590 1.167 4.323 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.321 0.843 5.267 0.80 0.00 H new ATOM 0 HB3APHE A 34 -0.473 0.989 2.584 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.250 -0.012 3.738 0.80 0.00 H new ATOM 0 HD1APHE A 34 0.344 3.045 5.399 0.20 0.00 H new ATOM 0 HD1BPHE A 34 1.232 2.530 5.503 0.80 0.00 H new ATOM 0 HD2APHE A 34 -0.219 3.126 1.175 0.20 0.00 H new ATOM 0 HD2BPHE A 34 -0.369 1.772 1.630 0.80 0.00 H new ATOM 0 HE1APHE A 34 1.622 5.139 5.269 0.20 0.00 H new ATOM 0 HE1BPHE A 34 2.641 4.315 4.574 0.80 0.00 H new ATOM 0 HE2APHE A 34 1.061 5.217 1.045 0.20 0.00 H new ATOM 0 HE2BPHE A 34 1.034 3.560 0.698 0.80 0.00 H new ATOM 0 HZ APHE A 34 1.981 6.230 3.090 0.20 0.00 H new ATOM 0 HZ BPHE A 34 2.545 4.834 2.169 0.80 0.00 H new ATOM 989 N AGLU A 35 -3.452 0.528 4.938 0.20 0.00 N ATOM 990 N BGLU A 35 -3.174 -0.057 5.748 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.156 -0.635 5.462 0.20 0.00 C ATOM 992 CA BGLU A 35 -3.926 -1.166 6.321 0.80 0.00 C ATOM 993 C AGLU A 35 -5.634 -0.594 5.081 0.20 0.00 C ATOM 994 C BGLU A 35 -5.347 -1.203 5.766 0.80 0.00 C ATOM 995 O AGLU A 35 -6.298 0.431 5.236 0.20 0.00 O ATOM 996 O BGLU A 35 -6.003 -0.169 5.642 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.013 -0.702 6.985 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.966 -1.050 7.845 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.226 -2.094 7.555 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.590 -1.047 8.492 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.440 -2.328 8.830 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.307 -2.318 9.268 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -2.220 -2.062 8.830 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -3.241 -2.840 9.913 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -4.044 -2.776 9.827 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -1.152 -2.792 9.232 0.80 0.00 O ATOM 0 H AGLU A 35 -3.304 1.274 5.617 0.20 0.00 H new ATOM 0 H BGLU A 35 -2.960 0.693 6.406 0.80 0.00 H new ATOM 0 HA AGLU A 35 -3.709 -1.527 5.022 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.422 -2.093 6.047 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -3.019 -0.352 7.264 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.488 -0.133 8.118 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -4.730 -0.019 7.439 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.546 -1.880 8.249 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.287 -2.243 7.754 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.830 -0.920 7.721 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -3.934 -2.836 6.811 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.510 -0.191 9.162 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.140 -1.716 4.579 0.20 0.00 N ATOM 1020 N BARG A 36 -5.815 -2.401 5.436 0.80 0.00 N ATOM 1021 CA AARG A 36 -7.537 -1.809 4.173 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.157 -2.575 4.891 0.80 0.00 C ATOM 1023 C AARG A 36 -8.464 -1.414 5.319 0.20 0.00 C ATOM 1024 C BARG A 36 -8.213 -2.134 5.902 0.80 0.00 C ATOM 1025 O AARG A 36 -8.274 -1.809 6.470 0.20 0.00 O ATOM 1026 O BARG A 36 -8.336 -2.692 6.992 0.80 0.00 O ATOM 1027 CB AARG A 36 -7.862 -3.228 3.709 0.20 0.00 C ATOM 1028 CB BARG A 36 -7.389 -4.036 4.501 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.305 -3.410 3.267 0.20 0.00 C ATOM 1030 CG BARG A 36 -8.749 -4.290 3.874 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.731 -4.869 3.332 0.20 0.00 C ATOM 1032 CD BARG A 36 -9.158 -5.749 4.004 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.501 -5.160 4.537 0.20 0.00 N ATOM 1034 NE BARG A 36 -10.572 -5.951 3.701 0.80 0.00 N ATOM 1035 CZ AARG A 36 -11.285 -6.226 4.668 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.267 -7.009 4.104 0.80 0.00 C ATOM 1037 NH1AARG A 36 -11.397 -7.097 3.674 0.20 0.00 N ATOM 1038 NH1BARG A 36 -10.680 -7.957 4.821 0.80 0.00 N ATOM 1039 NH2AARG A 36 -11.955 -6.422 5.796 0.20 0.00 N ATOM 1040 NH2BARG A 36 -12.551 -7.121 3.789 0.80 0.00 N ATOM 0 H AARG A 36 -5.603 -2.573 4.444 0.20 0.00 H new ATOM 0 H BARG A 36 -5.285 -3.267 5.536 0.80 0.00 H new ATOM 0 HA AARG A 36 -7.695 -1.118 3.345 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.244 -1.952 4.001 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.202 -3.491 2.882 0.20 0.00 H new ATOM 0 HB2BARG A 36 -6.612 -4.344 3.801 0.80 0.00 H new ATOM 0 HB3AARG A 36 -7.649 -3.924 4.520 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.285 -4.661 5.388 0.80 0.00 H new ATOM 0 HG2AARG A 36 -9.959 -2.811 3.901 0.20 0.00 H new ATOM 0 HG2BARG A 36 -9.496 -3.657 4.354 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.423 -3.041 2.248 0.20 0.00 H new ATOM 0 HG3BARG A 36 -8.723 -4.011 2.821 0.80 0.00 H new ATOM 0 HD2AARG A 36 -10.328 -5.112 2.453 0.20 0.00 H new ATOM 0 HD2BARG A 36 -8.553 -6.356 3.331 0.80 0.00 H new ATOM 0 HD3AARG A 36 -8.847 -5.506 3.304 0.20 0.00 H new ATOM 0 HD3BARG A 36 -8.952 -6.094 5.017 0.80 0.00 H new ATOM 0 HE AARG A 36 -10.434 -4.511 5.321 0.20 0.00 H new ATOM 0 HE BARG A 36 -11.053 -5.240 3.149 0.80 0.00 H new ATOM 0 HH11AARG A 36 -10.881 -6.950 2.807 0.20 0.00 H new ATOM 0 HH11BARG A 36 -9.693 -7.875 5.064 0.80 0.00 H new ATOM 0 HH12AARG A 36 -11.999 -7.914 3.777 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.216 -8.768 5.129 0.80 0.00 H new ATOM 0 HH21AARG A 36 -11.869 -5.755 6.563 0.20 0.00 H new ATOM 0 HH21BARG A 36 -13.006 -6.394 3.237 0.80 0.00 H new ATOM 0 HH22AARG A 36 -12.556 -7.240 5.896 0.20 0.00 H new ATOM 0 HH22BARG A 36 -13.083 -7.934 4.099 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.491 -0.611 5.001 0.20 0.00 N ATOM 1068 N BPRO A 37 -8.994 -1.108 5.532 0.80 0.00 N ATOM 1069 CA APRO A 37 -10.468 -0.143 5.988 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.053 -0.570 6.391 0.80 0.00 C ATOM 1071 C APRO A 37 -11.371 -1.266 6.486 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.224 -1.534 6.541 0.80 0.00 C ATOM 1073 O APRO A 37 -11.654 -2.218 5.759 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.367 -2.479 5.764 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.283 0.897 5.217 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.496 0.698 5.656 0.80 0.00 C ATOM 1077 CG APRO A 37 -11.150 0.498 3.788 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.147 0.451 4.230 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.779 -0.099 3.650 0.20 0.00 C ATOM 1080 CD BPRO A 37 -8.904 -0.394 4.248 0.80 0.00 C ATOM 0 HA APRO A 37 -9.986 0.252 6.882 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.701 -0.390 7.407 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.326 0.896 5.533 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.565 0.873 5.777 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.900 1.904 5.384 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.983 1.579 6.042 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.919 -0.223 3.511 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -10.959 -0.060 3.713 0.80 0.00 H new ATOM 0 HG3APRO A 37 -11.269 1.359 3.130 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.974 1.389 3.703 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.761 -0.896 2.906 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -8.876 -1.085 3.405 0.80 0.00 H new ATOM 0 HD3APRO A 37 -9.046 0.645 3.338 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.003 0.216 4.190 0.80 0.00 H new ATOM 1095 N ASER A 38 -11.823 -1.149 7.732 0.20 0.00 N ATOM 1096 N BSER A 38 -12.062 -1.290 7.544 0.80 0.00 N ATOM 1097 CA ASER A 38 -12.691 -2.155 8.327 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.220 -2.140 7.797 0.80 0.00 C ATOM 1099 C ASER A 38 -14.091 -2.094 7.721 0.20 0.00 C ATOM 1100 C BSER A 38 -14.467 -1.297 8.047 0.80 0.00 C ATOM 1101 O ASER A 38 -14.559 -3.054 7.113 0.20 0.00 O ATOM 1102 O BSER A 38 -14.388 -0.078 8.193 0.80 0.00 O ATOM 1103 CB ASER A 38 -12.771 -1.959 9.843 0.20 0.00 C ATOM 1104 CB BSER A 38 -12.957 -3.052 8.997 0.80 0.00 C ATOM 1105 OG ASER A 38 -13.226 -0.656 10.164 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.063 -3.903 9.242 0.80 0.00 O ATOM 0 H ASER A 38 -11.601 -0.366 8.347 0.20 0.00 H new ATOM 0 H BSER A 38 -11.961 -0.511 8.194 0.80 0.00 H new ATOM 0 HA ASER A 38 -12.265 -3.136 8.116 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.389 -2.755 6.913 0.80 0.00 H new ATOM 0 HB2ASER A 38 -13.445 -2.700 10.274 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.066 -3.652 8.813 0.80 0.00 H new ATOM 0 HB3ASER A 38 -11.789 -2.125 10.287 0.20 0.00 H new ATOM 0 HB3BSER A 38 -12.757 -2.447 9.881 0.80 0.00 H new ATOM 0 HG ASER A 38 -13.270 -0.556 11.138 0.20 0.00 H new ATOM 0 HG BSER A 38 -13.870 -4.477 10.012 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.754 -0.953 7.893 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.618 -1.958 8.097 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.092 -0.785 7.356 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.868 -1.256 8.331 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.161 -1.316 8.292 0.20 0.00 C ATOM 1122 C BGLY A 39 -18.039 -2.200 8.519 0.80 0.00 C ATOM 1123 O AGLY A 39 -16.975 -1.339 9.508 0.20 0.00 O ATOM 1124 O BGLY A 39 -18.006 -3.017 9.437 0.80 0.00 O ATOM 0 H AGLY A 39 -14.388 -0.143 8.394 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.709 -2.967 7.980 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -16.274 0.273 7.164 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.767 -0.627 9.215 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.163 -1.300 6.398 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -17.071 -0.593 7.490 0.80 0.00 H new TER 1131 GLY A 39