USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 542 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= 0.481 K(o=-2.1,f=-15!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -1.66 K(o=-2.1,f=-16!) USER MOD Set 1.3: A 27 HIS A: no HD1:sc= -0.827 X(o=-2.1,f=-2.4) USER MOD Set 1.4: A 29 THR OG1A: rot 180:sc=-0.00251 USER MOD Set 1.5: A 29 THR OG1B: rot 180:sc= -0.0871 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+ -141:sc= -0.583 (180deg=-2.73!) 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=-0.00782 X(o=-0.0078,f=-0.081) USER MOD Single : A 18 ASN B: amide:sc= -0.0152 K(o=-0.015,f=-0.97) USER MOD Single : A 19 SER OG A: rot -110:sc= 0.0676 USER MOD Single : A 19 SER OG B: rot 91:sc= -0.687 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 A: rot 180:sc= 0 USER MOD Single : A 24 TYR OH B: rot 180:sc= 0 USER MOD Single : A 27 HIS B: no HE2:sc= -1.89 K(o=-1.9,f=-3.2!) USER MOD Single : A 30 ASN A: amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 30 ASN B: amide:sc= 0.29 X(o=0.29,f=-0.013) USER MOD Single : A 32 SER OG A: rot 180:sc= 0 USER MOD Single : A 32 SER OG B: rot 180:sc= 0.0233 USER MOD Single : A 33 GLN A: amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 33 GLN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.0958 USER MOD Single : A 38 SER OG B: rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N ALYS A 6 -12.626 -3.455 -5.117 0.50 0.00 N ATOM 24 N BLYS A 6 -12.903 -4.707 -4.332 0.50 0.00 N ATOM 25 CA ALYS A 6 -13.141 -4.295 -4.044 0.50 0.00 C ATOM 26 CA BLYS A 6 -13.394 -4.983 -2.989 0.50 0.00 C ATOM 27 C ALYS A 6 -13.120 -3.552 -2.712 0.50 0.00 C ATOM 28 C BLYS A 6 -12.884 -3.943 -1.997 0.50 0.00 C ATOM 29 O ALYS A 6 -12.647 -4.076 -1.704 0.50 0.00 O ATOM 30 O BLYS A 6 -11.697 -3.911 -1.670 0.50 0.00 O ATOM 31 CB ALYS A 6 -12.318 -5.581 -3.935 0.50 0.00 C ATOM 32 CB BLYS A 6 -12.963 -6.381 -2.542 0.50 0.00 C ATOM 33 CG ALYS A 6 -12.681 -6.626 -4.976 0.50 0.00 C ATOM 34 CG BLYS A 6 -13.245 -7.462 -3.572 0.50 0.00 C ATOM 35 CD ALYS A 6 -12.161 -8.000 -4.590 0.50 0.00 C ATOM 36 CD BLYS A 6 -12.778 -8.826 -3.091 0.50 0.00 C ATOM 37 CE ALYS A 6 -13.298 -8.983 -4.358 0.50 0.00 C ATOM 38 CE BLYS A 6 -13.952 -9.756 -2.827 0.50 0.00 C ATOM 39 NZ ALYS A 6 -13.496 -9.891 -5.521 0.50 0.00 N ATOM 40 NZ BLYS A 6 -14.148 -10.731 -3.936 0.50 0.00 N ATOM 0 HA ALYS A 6 -14.174 -4.550 -4.281 0.50 0.00 H new ATOM 0 HA BLYS A 6 -14.483 -4.935 -3.012 0.50 0.00 H new ATOM 0 HB2ALYS A 6 -11.261 -5.335 -4.033 0.50 0.00 H new ATOM 0 HB2BLYS A 6 -11.896 -6.370 -2.322 0.50 0.00 H new ATOM 0 HB3ALYS A 6 -12.456 -6.007 -2.941 0.50 0.00 H new ATOM 0 HB3BLYS A 6 -13.477 -6.632 -1.614 0.50 0.00 H new ATOM 0 HG2ALYS A 6 -13.764 -6.665 -5.092 0.50 0.00 H new ATOM 0 HG2BLYS A 6 -14.314 -7.496 -3.782 0.50 0.00 H new ATOM 0 HG3ALYS A 6 -12.267 -6.338 -5.942 0.50 0.00 H new ATOM 0 HG3BLYS A 6 -12.744 -7.214 -4.508 0.50 0.00 H new ATOM 0 HD2ALYS A 6 -11.508 -8.377 -5.377 0.50 0.00 H new ATOM 0 HD2BLYS A 6 -12.121 -9.271 -3.838 0.50 0.00 H new ATOM 0 HD3ALYS A 6 -11.557 -7.921 -3.686 0.50 0.00 H new ATOM 0 HD3BLYS A 6 -12.192 -8.710 -2.179 0.50 0.00 H new ATOM 0 HE2ALYS A 6 -13.089 -9.575 -3.467 0.50 0.00 H new ATOM 0 HE2BLYS A 6 -13.785 -10.295 -1.895 0.50 0.00 H new ATOM 0 HE3ALYS A 6 -14.219 -8.433 -4.166 0.50 0.00 H new ATOM 0 HE3BLYS A 6 -14.860 -9.167 -2.697 0.50 0.00 H new ATOM 0 HZ1ALYS A 6 -14.280 -10.545 -5.322 0.50 0.00 H new ATOM 0 HZ1BLYS A 6 -14.957 -11.347 -3.718 0.50 0.00 H new ATOM 0 HZ2ALYS A 6 -13.721 -9.328 -6.366 0.50 0.00 H new ATOM 0 HZ2BLYS A 6 -14.332 -10.217 -4.821 0.50 0.00 H new ATOM 0 HZ3ALYS A 6 -12.626 -10.435 -5.689 0.50 0.00 H new ATOM 0 HZ3BLYS A 6 -13.291 -11.311 -4.044 0.50 0.00 H new ATOM 67 N ALEU A 7 -13.632 -2.327 -2.716 0.50 0.00 N ATOM 68 N BLEU A 7 -13.786 -3.090 -1.523 0.50 0.00 N ATOM 69 CA ALEU A 7 -13.673 -1.510 -1.507 0.50 0.00 C ATOM 70 CA BLEU A 7 -13.426 -2.049 -0.568 0.50 0.00 C ATOM 71 C ALEU A 7 -15.107 -1.131 -1.154 0.50 0.00 C ATOM 72 C BLEU A 7 -14.666 -1.306 -0.078 0.50 0.00 C ATOM 73 O ALEU A 7 -16.005 -1.148 -1.996 0.50 0.00 O ATOM 74 O BLEU A 7 -15.701 -1.272 -0.743 0.50 0.00 O ATOM 75 CB ALEU A 7 -12.831 -0.245 -1.694 0.50 0.00 C ATOM 76 CB BLEU A 7 -12.446 -1.063 -1.204 0.50 0.00 C ATOM 77 CG ALEU A 7 -11.341 -0.379 -1.375 0.50 0.00 C ATOM 78 CG BLEU A 7 -13.033 -0.108 -2.244 0.50 0.00 C ATOM 79 CD1ALEU A 7 -10.756 -1.602 -2.060 0.50 0.00 C ATOM 80 CD1BLEU A 7 -12.931 1.331 -1.767 0.50 0.00 C ATOM 81 CD2ALEU A 7 -10.593 0.879 -1.791 0.50 0.00 C ATOM 82 CD2BLEU A 7 -12.329 -0.280 -3.584 0.50 0.00 C ATOM 0 H ALEU A 7 -14.025 -1.877 -3.543 0.50 0.00 H new ATOM 0 H BLEU A 7 -14.772 -3.099 -1.785 0.50 0.00 H new ATOM 0 HA ALEU A 7 -13.260 -2.097 -0.687 0.50 0.00 H new ATOM 0 HA BLEU A 7 -12.949 -2.526 0.288 0.50 0.00 H new ATOM 0 HB2ALEU A 7 -12.933 0.086 -2.728 0.50 0.00 H new ATOM 0 HB2BLEU A 7 -11.993 -0.469 -0.410 0.50 0.00 H new ATOM 0 HB3ALEU A 7 -13.248 0.541 -1.065 0.50 0.00 H new ATOM 0 HB3BLEU A 7 -11.644 -1.632 -1.674 0.50 0.00 H new ATOM 0 HG ALEU A 7 -11.229 -0.505 -0.298 0.50 0.00 H new ATOM 0 HG BLEU A 7 -14.088 -0.350 -2.376 0.50 0.00 H new ATOM 0 HD11ALEU A 7 -9.695 -1.680 -1.821 0.50 0.00 H new ATOM 0 HD11BLEU A 7 -13.354 1.995 -2.521 0.50 0.00 H new ATOM 0 HD12ALEU A 7 -11.273 -2.496 -1.712 0.50 0.00 H new ATOM 0 HD12BLEU A 7 -13.482 1.445 -0.833 0.50 0.00 H new ATOM 0 HD13ALEU A 7 -10.879 -1.508 -3.139 0.50 0.00 H new ATOM 0 HD13BLEU A 7 -11.884 1.587 -1.604 0.50 0.00 H new ATOM 0 HD21ALEU A 7 -9.534 0.767 -1.557 0.50 0.00 H new ATOM 0 HD21BLEU A 7 -12.760 0.407 -4.312 0.50 0.00 H new ATOM 0 HD22ALEU A 7 -10.713 1.036 -2.863 0.50 0.00 H new ATOM 0 HD22BLEU A 7 -11.267 -0.066 -3.467 0.50 0.00 H new ATOM 0 HD23ALEU A 7 -10.995 1.737 -1.251 0.50 0.00 H new ATOM 0 HD23BLEU A 7 -12.456 -1.305 -3.933 0.50 0.00 H new ATOM 105 N APRO A 8 -15.330 -0.782 0.123 0.50 0.00 N ATOM 106 N BPRO A 8 -14.559 -0.695 1.112 0.50 0.00 N ATOM 107 CA APRO A 8 -16.653 -0.391 0.616 0.50 0.00 C ATOM 108 CA BPRO A 8 -15.662 0.059 1.715 0.50 0.00 C ATOM 109 C APRO A 8 -17.101 0.958 0.065 0.50 0.00 C ATOM 110 C BPRO A 8 -15.955 1.355 0.966 0.50 0.00 C ATOM 111 O APRO A 8 -16.344 1.671 -0.593 0.50 0.00 O ATOM 112 O BPRO A 8 -15.126 1.866 0.212 0.50 0.00 O ATOM 113 CB APRO A 8 -16.456 -0.311 2.131 0.50 0.00 C ATOM 114 CB BPRO A 8 -15.153 0.361 3.128 0.50 0.00 C ATOM 115 CG APRO A 8 -15.004 -0.038 2.312 0.50 0.00 C ATOM 116 CG BPRO A 8 -13.669 0.335 3.008 0.50 0.00 C ATOM 117 CD APRO A 8 -14.308 -0.743 1.180 0.50 0.00 C ATOM 118 CD BPRO A 8 -13.356 -0.695 1.959 0.50 0.00 C ATOM 0 HA APRO A 8 -17.427 -1.094 0.309 0.50 0.00 H new ATOM 0 HA BPRO A 8 -16.598 -0.499 1.694 0.50 0.00 H new ATOM 0 HB2APRO A 8 -17.065 0.481 2.568 0.50 0.00 H new ATOM 0 HB2BPRO A 8 -15.505 1.332 3.477 0.50 0.00 H new ATOM 0 HB3APRO A 8 -16.747 -1.242 2.617 0.50 0.00 H new ATOM 0 HB3BPRO A 8 -15.506 -0.382 3.843 0.50 0.00 H new ATOM 0 HG2APRO A 8 -14.802 1.033 2.288 0.50 0.00 H new ATOM 0 HG2BPRO A 8 -13.284 1.313 2.721 0.50 0.00 H new ATOM 0 HG3APRO A 8 -14.654 -0.407 3.276 0.50 0.00 H new ATOM 0 HG3BPRO A 8 -13.205 0.076 3.960 0.50 0.00 H new ATOM 0 HD2APRO A 8 -13.417 -0.204 0.858 0.50 0.00 H new ATOM 0 HD2BPRO A 8 -12.464 -0.431 1.390 0.50 0.00 H new ATOM 0 HD3APRO A 8 -13.988 -1.745 1.467 0.50 0.00 H new ATOM 0 HD3BPRO A 8 -13.175 -1.675 2.400 0.50 0.00 H new ATOM 133 N APRO A 9 -18.363 1.321 0.340 0.50 0.00 N ATOM 134 N BPRO A 9 -17.162 1.901 1.176 0.50 0.00 N ATOM 135 CA APRO A 9 -18.940 2.589 -0.118 0.50 0.00 C ATOM 136 CA BPRO A 9 -17.592 3.145 0.532 0.50 0.00 C ATOM 137 C APRO A 9 -18.335 3.792 0.596 0.50 0.00 C ATOM 138 C BPRO A 9 -16.842 4.361 1.059 0.50 0.00 C ATOM 139 O APRO A 9 -18.453 3.929 1.812 0.50 0.00 O ATOM 140 O BPRO A 9 -16.449 4.403 2.226 0.50 0.00 O ATOM 141 CB APRO A 9 -20.424 2.450 0.232 0.50 0.00 C ATOM 142 CB BPRO A 9 -19.078 3.236 0.889 0.50 0.00 C ATOM 143 CG APRO A 9 -20.458 1.480 1.362 0.50 0.00 C ATOM 144 CG BPRO A 9 -19.211 2.455 2.152 0.50 0.00 C ATOM 145 CD APRO A 9 -19.324 0.523 1.120 0.50 0.00 C ATOM 146 CD BPRO A 9 -18.200 1.347 2.063 0.50 0.00 C ATOM 0 HA APRO A 9 -18.752 2.763 -1.177 0.50 0.00 H new ATOM 0 HA BPRO A 9 -17.398 3.136 -0.540 0.50 0.00 H new ATOM 0 HB2APRO A 9 -20.854 3.409 0.521 0.50 0.00 H new ATOM 0 HB2BPRO A 9 -19.389 4.271 1.029 0.50 0.00 H new ATOM 0 HB3APRO A 9 -20.999 2.086 -0.619 0.50 0.00 H new ATOM 0 HB3BPRO A 9 -19.702 2.820 0.098 0.50 0.00 H new ATOM 0 HG2APRO A 9 -20.341 1.990 2.318 0.50 0.00 H new ATOM 0 HG2BPRO A 9 -19.024 3.085 3.022 0.50 0.00 H new ATOM 0 HG3APRO A 9 -21.412 0.954 1.396 0.50 0.00 H new ATOM 0 HG3BPRO A 9 -20.219 2.055 2.259 0.50 0.00 H new ATOM 0 HD2APRO A 9 -18.888 0.172 2.055 0.50 0.00 H new ATOM 0 HD2BPRO A 9 -17.797 1.092 3.043 0.50 0.00 H new ATOM 0 HD3APRO A 9 -19.653 -0.359 0.571 0.50 0.00 H new ATOM 0 HD3BPRO A 9 -18.637 0.437 1.651 0.50 0.00 H new ATOM 161 N AGLY A 10 -17.686 4.664 -0.170 0.50 0.00 N ATOM 162 N BGLY A 10 -16.644 5.351 0.194 0.50 0.00 N ATOM 163 CA AGLY A 10 -17.071 5.845 0.407 0.50 0.00 C ATOM 164 CA BGLY A 10 -15.941 6.556 0.594 0.50 0.00 C ATOM 165 C AGLY A 10 -15.571 5.881 0.197 0.50 0.00 C ATOM 166 C BGLY A 10 -14.458 6.487 0.295 0.50 0.00 C ATOM 167 O AGLY A 10 -14.952 6.941 0.268 0.50 0.00 O ATOM 168 O BGLY A 10 -13.847 7.486 -0.088 0.50 0.00 O ATOM 0 H AGLY A 10 -17.575 4.573 -1.180 0.50 0.00 H new ATOM 0 H BGLY A 10 -16.958 5.340 -0.776 0.50 0.00 H new ATOM 0 HA2AGLY A 10 -17.518 6.736 -0.035 0.50 0.00 H new ATOM 0 HA2BGLY A 10 -16.373 7.413 0.078 0.50 0.00 H new ATOM 0 HA3AGLY A 10 -17.286 5.877 1.475 0.50 0.00 H new ATOM 0 HA3BGLY A 10 -16.086 6.720 1.662 0.50 0.00 H new ATOM 175 N ATRP A 11 -14.984 4.716 -0.057 0.50 0.00 N ATOM 176 N BTRP A 11 -13.874 5.307 0.472 0.50 0.00 N ATOM 177 CA ATRP A 11 -13.545 4.617 -0.275 0.50 0.00 C ATOM 178 CA BTRP A 11 -12.450 5.113 0.221 0.50 0.00 C ATOM 179 C ATRP A 11 -13.222 4.559 -1.765 0.50 0.00 C ATOM 180 C BTRP A 11 -12.188 4.863 -1.260 0.50 0.00 C ATOM 181 O ATRP A 11 -14.052 4.140 -2.571 0.50 0.00 O ATOM 182 O BTRP A 11 -12.973 4.197 -1.934 0.50 0.00 O ATOM 183 CB ATRP A 11 -12.986 3.379 0.429 0.50 0.00 C ATOM 184 CB BTRP A 11 -11.920 3.940 1.050 0.50 0.00 C ATOM 185 CG ATRP A 11 -12.710 3.599 1.886 0.50 0.00 C ATOM 186 CG BTRP A 11 -12.184 4.087 2.518 0.50 0.00 C ATOM 187 CD1ATRP A 11 -13.595 3.459 2.917 0.50 0.00 C ATOM 188 CD1BTRP A 11 -13.329 3.755 3.183 0.50 0.00 C ATOM 189 CD2ATRP A 11 -11.466 3.997 2.472 0.50 0.00 C ATOM 190 CD2BTRP A 11 -11.279 4.603 3.501 0.50 0.00 C ATOM 191 NE1ATRP A 11 -12.976 3.747 4.110 0.50 0.00 N ATOM 192 NE1BTRP A 11 -13.191 4.035 4.522 0.50 0.00 N ATOM 193 CE2ATRP A 11 -11.669 4.081 3.864 0.50 0.00 C ATOM 194 CE2BTRP A 11 -11.944 4.555 4.743 0.50 0.00 C ATOM 195 CE3ATRP A 11 -10.201 4.292 1.957 0.50 0.00 C ATOM 196 CE3BTRP A 11 -9.975 5.100 3.457 0.50 0.00 C ATOM 197 CZ2ATRP A 11 -10.654 4.444 4.743 0.50 0.00 C ATOM 198 CZ2BTRP A 11 -11.347 4.986 5.924 0.50 0.00 C ATOM 199 CZ3ATRP A 11 -9.195 4.654 2.832 0.50 0.00 C ATOM 200 CZ3BTRP A 11 -9.384 5.528 4.629 0.50 0.00 C ATOM 201 CH2ATRP A 11 -9.427 4.728 4.213 0.50 0.00 C ATOM 202 CH2BTRP A 11 -10.068 5.467 5.850 0.50 0.00 C ATOM 0 H ATRP A 11 -15.482 3.828 -0.117 0.50 0.00 H new ATOM 0 H BTRP A 11 -14.364 4.470 0.788 0.50 0.00 H new ATOM 0 HA ATRP A 11 -13.077 5.508 0.144 0.50 0.00 H new ATOM 0 HA BTRP A 11 -11.927 6.023 0.515 0.50 0.00 H new ATOM 0 HB2ATRP A 11 -13.694 2.557 0.321 0.50 0.00 H new ATOM 0 HB2BTRP A 11 -12.378 3.017 0.696 0.50 0.00 H new ATOM 0 HB3ATRP A 11 -12.064 3.073 -0.066 0.50 0.00 H new ATOM 0 HB3BTRP A 11 -10.846 3.845 0.888 0.50 0.00 H new ATOM 0 HD1ATRP A 11 -14.629 3.165 2.811 0.50 0.00 H new ATOM 0 HD1BTRP A 11 -14.212 3.335 2.725 0.50 0.00 H new ATOM 0 HE1ATRP A 11 -13.417 3.717 5.029 0.50 0.00 H new ATOM 0 HE1BTRP A 11 -13.903 3.880 5.236 0.50 0.00 H new ATOM 0 HE3ATRP A 11 -10.013 4.238 0.895 0.50 0.00 H new ATOM 0 HE3BTRP A 11 -9.437 5.149 2.522 0.50 0.00 H new ATOM 0 HZ2ATRP A 11 -10.830 4.499 5.807 0.50 0.00 H new ATOM 0 HZ2BTRP A 11 -11.874 4.942 6.865 0.50 0.00 H new ATOM 0 HZ3ATRP A 11 -8.213 4.884 2.446 0.50 0.00 H new ATOM 0 HZ3BTRP A 11 -8.377 5.917 4.604 0.50 0.00 H new ATOM 0 HH2ATRP A 11 -8.620 5.015 4.871 0.50 0.00 H new ATOM 0 HH2BTRP A 11 -9.577 5.806 6.750 0.50 0.00 H new ATOM 223 N AGLU A 12 -12.014 4.983 -2.122 0.50 0.00 N ATOM 224 N BGLU A 12 -11.081 5.401 -1.760 0.50 0.00 N ATOM 225 CA AGLU A 12 -11.585 4.979 -3.514 0.50 0.00 C ATOM 226 CA BGLU A 12 -10.718 5.236 -3.163 0.50 0.00 C ATOM 227 C AGLU A 12 -10.195 4.365 -3.653 0.50 0.00 C ATOM 228 C BGLU A 12 -9.371 4.529 -3.296 0.50 0.00 C ATOM 229 O AGLU A 12 -9.213 4.898 -3.135 0.50 0.00 O ATOM 230 O BGLU A 12 -8.463 4.742 -2.494 0.50 0.00 O ATOM 231 CB AGLU A 12 -11.585 6.403 -4.074 0.50 0.00 C ATOM 232 CB BGLU A 12 -10.663 6.595 -3.862 0.50 0.00 C ATOM 233 CG AGLU A 12 -11.487 6.460 -5.590 0.50 0.00 C ATOM 234 CG BGLU A 12 -12.031 7.150 -4.223 0.50 0.00 C ATOM 235 CD AGLU A 12 -11.266 7.868 -6.107 0.50 0.00 C ATOM 236 CD BGLU A 12 -12.822 6.213 -5.118 0.50 0.00 C ATOM 237 OE1AGLU A 12 -11.674 8.149 -7.254 0.50 0.00 O ATOM 238 OE1BGLU A 12 -14.064 6.333 -5.151 0.50 0.00 O ATOM 239 OE2AGLU A 12 -10.685 8.689 -5.367 0.50 0.00 O ATOM 240 OE2BGLU A 12 -12.197 5.363 -5.786 0.50 0.00 O ATOM 0 H AGLU A 12 -11.316 5.333 -1.466 0.50 0.00 H new ATOM 0 H BGLU A 12 -10.420 5.955 -1.215 0.50 0.00 H new ATOM 0 HA AGLU A 12 -12.289 4.372 -4.084 0.50 0.00 H new ATOM 0 HA BGLU A 12 -11.482 4.621 -3.640 0.50 0.00 H new ATOM 0 HB2AGLU A 12 -12.497 6.909 -3.758 0.50 0.00 H new ATOM 0 HB2BGLU A 12 -10.151 7.307 -3.214 0.50 0.00 H new ATOM 0 HB3AGLU A 12 -10.749 6.954 -3.643 0.50 0.00 H new ATOM 0 HB3BGLU A 12 -10.066 6.503 -4.770 0.50 0.00 H new ATOM 0 HG2AGLU A 12 -10.668 5.822 -5.922 0.50 0.00 H new ATOM 0 HG2BGLU A 12 -12.596 7.338 -3.310 0.50 0.00 H new ATOM 0 HG3AGLU A 12 -12.401 6.056 -6.025 0.50 0.00 H new ATOM 0 HG3BGLU A 12 -11.909 8.110 -4.725 0.50 0.00 H new ATOM 253 N ALYS A 13 -10.117 3.241 -4.357 0.50 0.00 N ATOM 254 N BLYS A 13 -9.252 3.687 -4.318 0.50 0.00 N ATOM 255 CA ALYS A 13 -8.849 2.554 -4.565 0.50 0.00 C ATOM 256 CA BLYS A 13 -8.018 2.947 -4.559 0.50 0.00 C ATOM 257 C ALYS A 13 -8.030 3.240 -5.652 0.50 0.00 C ATOM 258 C BLYS A 13 -7.241 3.551 -5.724 0.50 0.00 C ATOM 259 O ALYS A 13 -8.455 3.321 -6.806 0.50 0.00 O ATOM 260 O BLYS A 13 -7.773 3.706 -6.824 0.50 0.00 O ATOM 261 CB ALYS A 13 -9.095 1.091 -4.945 0.50 0.00 C ATOM 262 CB BLYS A 13 -8.328 1.477 -4.847 0.50 0.00 C ATOM 263 CG ALYS A 13 -7.826 0.259 -5.015 0.50 0.00 C ATOM 264 CG BLYS A 13 -7.107 0.665 -5.244 0.50 0.00 C ATOM 265 CD ALYS A 13 -8.126 -1.227 -4.914 0.50 0.00 C ATOM 266 CD BLYS A 13 -7.490 -0.738 -5.684 0.50 0.00 C ATOM 267 CE ALYS A 13 -7.165 -2.048 -5.758 0.50 0.00 C ATOM 268 CE BLYS A 13 -6.435 -1.343 -6.595 0.50 0.00 C ATOM 269 NZ ALYS A 13 -7.832 -3.238 -6.356 0.50 0.00 N ATOM 270 NZ BLYS A 13 -5.746 -2.498 -5.955 0.50 0.00 N ATOM 0 H ALYS A 13 -10.919 2.786 -4.794 0.50 0.00 H new ATOM 0 H BLYS A 13 -9.994 3.500 -4.992 0.50 0.00 H new ATOM 0 HA ALYS A 13 -8.287 2.592 -3.632 0.50 0.00 H new ATOM 0 HA BLYS A 13 -7.403 3.013 -3.661 0.50 0.00 H new ATOM 0 HB2ALYS A 13 -9.773 0.644 -4.217 0.50 0.00 H new ATOM 0 HB2BLYS A 13 -8.780 1.029 -3.962 0.50 0.00 H new ATOM 0 HB3ALYS A 13 -9.597 1.055 -5.912 0.50 0.00 H new ATOM 0 HB3BLYS A 13 -9.068 1.420 -5.646 0.50 0.00 H new ATOM 0 HG2ALYS A 13 -7.307 0.463 -5.952 0.50 0.00 H new ATOM 0 HG2BLYS A 13 -6.580 1.170 -6.054 0.50 0.00 H new ATOM 0 HG3ALYS A 13 -7.154 0.551 -4.208 0.50 0.00 H new ATOM 0 HG3BLYS A 13 -6.417 0.608 -4.402 0.50 0.00 H new ATOM 0 HD2ALYS A 13 -8.059 -1.543 -3.873 0.50 0.00 H new ATOM 0 HD2BLYS A 13 -7.622 -1.372 -4.807 0.50 0.00 H new ATOM 0 HD3ALYS A 13 -9.149 -1.416 -5.239 0.50 0.00 H new ATOM 0 HD3BLYS A 13 -8.448 -0.709 -6.204 0.50 0.00 H new ATOM 0 HE2ALYS A 13 -6.755 -1.424 -6.552 0.50 0.00 H new ATOM 0 HE2BLYS A 13 -6.901 -1.668 -7.525 0.50 0.00 H new ATOM 0 HE3ALYS A 13 -6.326 -2.373 -5.142 0.50 0.00 H new ATOM 0 HE3BLYS A 13 -5.700 -0.581 -6.856 0.50 0.00 H new ATOM 0 HZ1ALYS A 13 -7.144 -3.772 -6.924 0.50 0.00 H new ATOM 0 HZ1BLYS A 13 -4.734 -2.474 -6.194 0.50 0.00 H new ATOM 0 HZ2ALYS A 13 -8.202 -3.846 -5.598 0.50 0.00 H new ATOM 0 HZ2BLYS A 13 -5.860 -2.441 -4.923 0.50 0.00 H new ATOM 0 HZ3ALYS A 13 -8.616 -2.927 -6.964 0.50 0.00 H new ATOM 0 HZ3BLYS A 13 -6.163 -3.386 -6.301 0.50 0.00 H new ATOM 297 N AARG A 14 -6.854 3.736 -5.279 0.50 0.00 N ATOM 298 N BARG A 14 -5.980 3.891 -5.476 0.50 0.00 N ATOM 299 CA AARG A 14 -5.978 4.417 -6.223 0.50 0.00 C ATOM 300 CA BARG A 14 -5.130 4.476 -6.505 0.50 0.00 C ATOM 301 C AARG A 14 -4.609 3.742 -6.277 0.50 0.00 C ATOM 302 C BARG A 14 -3.800 3.735 -6.600 0.50 0.00 C ATOM 303 O AARG A 14 -4.275 2.923 -5.421 0.50 0.00 O ATOM 304 O BARG A 14 -3.338 3.145 -5.626 0.50 0.00 O ATOM 305 CB AARG A 14 -5.815 5.888 -5.832 0.50 0.00 C ATOM 306 CB BARG A 14 -4.880 5.957 -6.208 0.50 0.00 C ATOM 307 CG AARG A 14 -7.124 6.664 -5.830 0.50 0.00 C ATOM 308 CG BARG A 14 -6.100 6.684 -5.667 0.50 0.00 C ATOM 309 CD AARG A 14 -7.030 7.916 -6.688 0.50 0.00 C ATOM 310 CD BARG A 14 -6.374 7.964 -6.441 0.50 0.00 C ATOM 311 NE AARG A 14 -8.276 8.679 -6.680 0.50 0.00 N ATOM 312 NE BARG A 14 -6.580 7.710 -7.864 0.50 0.00 N ATOM 313 CZ AARG A 14 -8.609 9.548 -7.626 0.50 0.00 C ATOM 314 CZ BARG A 14 -7.233 8.539 -8.672 0.50 0.00 C ATOM 315 NH1AARG A 14 -7.796 9.766 -8.650 0.50 0.00 N ATOM 316 NH1BARG A 14 -7.740 9.669 -8.198 0.50 0.00 N ATOM 317 NH2AARG A 14 -9.760 10.206 -7.549 0.50 0.00 N ATOM 318 NH2BARG A 14 -7.380 8.238 -9.956 0.50 0.00 N ATOM 0 H AARG A 14 -6.487 3.678 -4.329 0.50 0.00 H new ATOM 0 H BARG A 14 -5.525 3.771 -4.571 0.50 0.00 H new ATOM 0 HA AARG A 14 -6.435 4.358 -7.211 0.50 0.00 H new ATOM 0 HA BARG A 14 -5.646 4.385 -7.461 0.50 0.00 H new ATOM 0 HB2AARG A 14 -5.367 5.945 -4.840 0.50 0.00 H new ATOM 0 HB2BARG A 14 -4.067 6.042 -5.487 0.50 0.00 H new ATOM 0 HB3AARG A 14 -5.120 6.365 -6.523 0.50 0.00 H new ATOM 0 HB3BARG A 14 -4.548 6.451 -7.121 0.50 0.00 H new ATOM 0 HG2AARG A 14 -7.927 6.027 -6.201 0.50 0.00 H new ATOM 0 HG2BARG A 14 -6.970 6.030 -5.724 0.50 0.00 H new ATOM 0 HG3AARG A 14 -7.383 6.940 -4.808 0.50 0.00 H new ATOM 0 HG3BARG A 14 -5.947 6.920 -4.614 0.50 0.00 H new ATOM 0 HD2AARG A 14 -6.217 8.545 -6.324 0.50 0.00 H new ATOM 0 HD2BARG A 14 -7.256 8.455 -6.029 0.50 0.00 H new ATOM 0 HD3AARG A 14 -6.783 7.636 -7.712 0.50 0.00 H new ATOM 0 HD3BARG A 14 -5.538 8.651 -6.313 0.50 0.00 H new ATOM 0 HE AARG A 14 -8.925 8.536 -5.906 0.50 0.00 H new ATOM 0 HE BARG A 14 -6.202 6.849 -8.260 0.50 0.00 H new ATOM 0 HH11AARG A 14 -6.910 9.265 -8.713 0.50 0.00 H new ATOM 0 HH11BARG A 14 -7.629 9.903 -7.212 0.50 0.00 H new ATOM 0 HH12AARG A 14 -8.057 10.435 -9.375 0.50 0.00 H new ATOM 0 HH12BARG A 14 -8.241 10.304 -8.820 0.50 0.00 H new ATOM 0 HH21AARG A 14 -10.389 10.044 -6.762 0.50 0.00 H new ATOM 0 HH21BARG A 14 -6.992 7.370 -10.324 0.50 0.00 H new ATOM 0 HH22AARG A 14 -10.015 10.874 -8.276 0.50 0.00 H new ATOM 0 HH22BARG A 14 -7.881 8.875 -10.575 0.50 0.00 H new ATOM 345 N AMET A 15 -3.824 4.091 -7.292 0.50 0.00 N ATOM 346 N BMET A 15 -3.193 3.769 -7.782 0.50 0.00 N ATOM 347 CA AMET A 15 -2.493 3.518 -7.457 0.50 0.00 C ATOM 348 CA BMET A 15 -1.916 3.100 -8.005 0.50 0.00 C ATOM 349 C AMET A 15 -1.459 4.613 -7.703 0.50 0.00 C ATOM 350 C BMET A 15 -0.857 4.093 -8.476 0.50 0.00 C ATOM 351 O AMET A 15 -1.724 5.582 -8.412 0.50 0.00 O ATOM 352 O BMET A 15 -0.974 4.676 -9.553 0.50 0.00 O ATOM 353 CB AMET A 15 -2.484 2.521 -8.617 0.50 0.00 C ATOM 354 CB BMET A 15 -2.076 1.980 -9.034 0.50 0.00 C ATOM 355 CG AMET A 15 -1.489 1.386 -8.434 0.50 0.00 C ATOM 356 CG BMET A 15 -1.970 0.586 -8.437 0.50 0.00 C ATOM 357 SD AMET A 15 -2.279 -0.233 -8.399 0.50 0.00 S ATOM 358 SD BMET A 15 -0.487 -0.288 -8.972 0.50 0.00 S ATOM 359 CE AMET A 15 -0.854 -1.310 -8.528 0.50 0.00 C ATOM 360 CE BMET A 15 -1.066 -1.983 -8.948 0.50 0.00 C ATOM 0 H AMET A 15 -4.086 4.766 -8.011 0.50 0.00 H new ATOM 0 H BMET A 15 -3.564 4.252 -8.600 0.50 0.00 H new ATOM 0 HA AMET A 15 -2.232 2.995 -6.537 0.50 0.00 H new ATOM 0 HA BMET A 15 -1.589 2.669 -7.058 0.50 0.00 H new ATOM 0 HB2AMET A 15 -3.484 2.102 -8.733 0.50 0.00 H new ATOM 0 HB2BMET A 15 -3.044 2.084 -9.524 0.50 0.00 H new ATOM 0 HB3AMET A 15 -2.252 3.052 -9.540 0.50 0.00 H new ATOM 0 HB3BMET A 15 -1.314 2.095 -9.805 0.50 0.00 H new ATOM 0 HG2AMET A 15 -0.761 1.413 -9.244 0.50 0.00 H new ATOM 0 HG2BMET A 15 -1.971 0.660 -7.349 0.50 0.00 H new ATOM 0 HG3AMET A 15 -0.938 1.537 -7.505 0.50 0.00 H new ATOM 0 HG3BMET A 15 -2.850 0.007 -8.718 0.50 0.00 H new ATOM 0 HE1AMET A 15 -1.182 -2.350 -8.520 0.50 0.00 H new ATOM 0 HE1BMET A 15 -0.259 -2.648 -9.256 0.50 0.00 H new ATOM 0 HE2AMET A 15 -0.325 -1.104 -9.459 0.50 0.00 H new ATOM 0 HE2BMET A 15 -1.386 -2.244 -7.939 0.50 0.00 H new ATOM 0 HE3AMET A 15 -0.187 -1.133 -7.685 0.50 0.00 H new ATOM 0 HE3BMET A 15 -1.906 -2.090 -9.634 0.50 0.00 H new ATOM 379 N ASER A 16 -0.277 4.448 -7.114 0.50 0.00 N ATOM 380 N BSER A 16 0.176 4.279 -7.661 0.50 0.00 N ATOM 381 CA ASER A 16 0.795 5.423 -7.267 0.50 0.00 C ATOM 382 CA BSER A 16 1.253 5.203 -7.993 0.50 0.00 C ATOM 383 C ASER A 16 1.795 4.968 -8.327 0.50 0.00 C ATOM 384 C BSER A 16 2.100 4.662 -9.141 0.50 0.00 C ATOM 385 O ASER A 16 1.852 3.790 -8.678 0.50 0.00 O ATOM 386 O BSER A 16 2.277 3.451 -9.280 0.50 0.00 O ATOM 387 CB ASER A 16 1.512 5.638 -5.934 0.50 0.00 C ATOM 388 CB BSER A 16 2.135 5.454 -6.768 0.50 0.00 C ATOM 389 OG ASER A 16 1.548 7.014 -5.590 0.50 0.00 O ATOM 390 OG BSER A 16 1.709 6.604 -6.060 0.50 0.00 O ATOM 0 H ASER A 16 -0.039 3.648 -6.527 0.50 0.00 H new ATOM 0 H BSER A 16 0.290 3.802 -6.766 0.50 0.00 H new ATOM 0 HA ASER A 16 0.352 6.365 -7.589 0.50 0.00 H new ATOM 0 HA BSER A 16 0.805 6.145 -8.308 0.50 0.00 H new ATOM 0 HB2ASER A 16 1.004 5.077 -5.150 0.50 0.00 H new ATOM 0 HB2BSER A 16 2.104 4.586 -6.110 0.50 0.00 H new ATOM 0 HB3ASER A 16 2.528 5.249 -5.997 0.50 0.00 H new ATOM 0 HB3BSER A 16 3.171 5.579 -7.082 0.50 0.00 H new ATOM 0 HG ASER A 16 2.010 7.125 -4.733 0.50 0.00 H new ATOM 0 HG BSER A 16 2.288 6.742 -5.281 0.50 0.00 H new ATOM 401 N AARG A 17 2.582 5.913 -8.833 0.50 0.00 N ATOM 402 N BARG A 17 2.626 5.567 -9.959 0.50 0.00 N ATOM 403 CA AARG A 17 3.580 5.611 -9.852 0.50 0.00 C ATOM 404 CA BARG A 17 3.453 5.181 -11.097 0.50 0.00 C ATOM 405 C AARG A 17 4.974 5.513 -9.237 0.50 0.00 C ATOM 406 C BARG A 17 4.933 5.212 -10.727 0.50 0.00 C ATOM 407 O AARG A 17 5.127 5.535 -8.016 0.50 0.00 O ATOM 408 O BARG A 17 5.789 5.471 -11.571 0.50 0.00 O ATOM 409 CB AARG A 17 3.566 6.684 -10.942 0.50 0.00 C ATOM 410 CB BARG A 17 3.193 6.110 -12.283 0.50 0.00 C ATOM 411 CG AARG A 17 2.204 6.880 -11.586 0.50 0.00 C ATOM 412 CG BARG A 17 3.838 7.479 -12.137 0.50 0.00 C ATOM 413 CD AARG A 17 1.970 8.334 -11.963 0.50 0.00 C ATOM 414 CD BARG A 17 2.819 8.596 -12.317 0.50 0.00 C ATOM 415 NE AARG A 17 2.045 9.219 -10.803 0.50 0.00 N ATOM 416 NE BARG A 17 1.676 8.443 -11.423 0.50 0.00 N ATOM 417 CZ AARG A 17 1.672 10.493 -10.823 0.50 0.00 C ATOM 418 CZ BARG A 17 0.870 9.444 -11.084 0.50 0.00 C ATOM 419 NH1AARG A 17 1.198 11.029 -11.940 0.50 0.00 N ATOM 420 NH1BARG A 17 1.083 10.663 -11.562 0.50 0.00 N ATOM 421 NH2AARG A 17 1.771 11.234 -9.726 0.50 0.00 N ATOM 422 NH2BARG A 17 -0.151 9.226 -10.265 0.50 0.00 N ATOM 0 H AARG A 17 2.547 6.893 -8.554 0.50 0.00 H new ATOM 0 H BARG A 17 2.495 6.573 -9.855 0.50 0.00 H new ATOM 0 HA AARG A 17 3.330 4.647 -10.296 0.50 0.00 H new ATOM 0 HA BARG A 17 3.187 4.162 -11.379 0.50 0.00 H new ATOM 0 HB2AARG A 17 3.895 7.630 -10.513 0.50 0.00 H new ATOM 0 HB2BARG A 17 3.565 5.638 -13.192 0.50 0.00 H new ATOM 0 HB3AARG A 17 4.288 6.416 -11.713 0.50 0.00 H new ATOM 0 HB3BARG A 17 2.117 6.236 -12.406 0.50 0.00 H new ATOM 0 HG2AARG A 17 2.128 6.255 -12.476 0.50 0.00 H new ATOM 0 HG2BARG A 17 4.301 7.562 -11.154 0.50 0.00 H new ATOM 0 HG3AARG A 17 1.425 6.551 -10.899 0.50 0.00 H new ATOM 0 HG3BARG A 17 4.634 7.588 -12.874 0.50 0.00 H new ATOM 0 HD2AARG A 17 2.711 8.641 -12.702 0.50 0.00 H new ATOM 0 HD2BARG A 17 3.298 9.557 -12.131 0.50 0.00 H new ATOM 0 HD3AARG A 17 0.991 8.434 -12.433 0.50 0.00 H new ATOM 0 HD3BARG A 17 2.472 8.607 -13.350 0.50 0.00 H new ATOM 0 HE AARG A 17 2.404 8.836 -9.928 0.50 0.00 H new ATOM 0 HE BARG A 17 1.485 7.518 -11.037 0.50 0.00 H new ATOM 0 HH11AARG A 17 1.120 10.462 -12.784 0.50 0.00 H new ATOM 0 HH11BARG A 17 1.867 10.834 -12.192 0.50 0.00 H new ATOM 0 HH12AARG A 17 0.912 12.008 -11.954 0.50 0.00 H new ATOM 0 HH12BARG A 17 0.463 11.429 -11.300 0.50 0.00 H new ATOM 0 HH21AARG A 17 2.134 10.825 -8.865 0.50 0.00 H new ATOM 0 HH21BARG A 17 -0.317 8.290 -9.895 0.50 0.00 H new ATOM 0 HH22AARG A 17 1.484 12.213 -9.744 0.50 0.00 H new ATOM 0 HH22BARG A 17 -0.769 9.994 -10.005 0.50 0.00 H new ATOM 449 N AASN A 18 5.985 5.404 -10.092 0.50 0.00 N ATOM 450 N BASN A 18 5.226 4.947 -9.457 0.50 0.00 N ATOM 451 CA AASN A 18 7.366 5.300 -9.632 0.50 0.00 C ATOM 452 CA BASN A 18 6.602 4.946 -8.974 0.50 0.00 C ATOM 453 C AASN A 18 7.618 3.952 -8.965 0.50 0.00 C ATOM 454 C BASN A 18 7.057 3.533 -8.628 0.50 0.00 C ATOM 455 O AASN A 18 8.257 3.072 -9.543 0.50 0.00 O ATOM 456 O BASN A 18 8.166 3.124 -8.973 0.50 0.00 O ATOM 457 CB AASN A 18 7.686 6.434 -8.655 0.50 0.00 C ATOM 458 CB BASN A 18 6.736 5.852 -7.747 0.50 0.00 C ATOM 459 CG AASN A 18 8.772 7.358 -9.176 0.50 0.00 C ATOM 460 CG BASN A 18 8.116 6.468 -7.631 0.50 0.00 C ATOM 461 OD1AASN A 18 9.819 6.904 -9.637 0.50 0.00 O ATOM 462 OD1BASN A 18 9.066 6.015 -8.267 0.50 0.00 O ATOM 463 ND2AASN A 18 8.525 8.661 -9.104 0.50 0.00 N ATOM 464 ND2BASN A 18 8.231 7.508 -6.813 0.50 0.00 N ATOM 0 H AASN A 18 5.875 5.385 -11.106 0.50 0.00 H new ATOM 0 H BASN A 18 4.529 4.730 -8.745 0.50 0.00 H new ATOM 0 HA AASN A 18 8.019 5.382 -10.501 0.50 0.00 H new ATOM 0 HA BASN A 18 7.239 5.329 -9.771 0.50 0.00 H new ATOM 0 HB2AASN A 18 6.782 7.012 -8.465 0.50 0.00 H new ATOM 0 HB2BASN A 18 5.990 6.645 -7.801 0.50 0.00 H new ATOM 0 HB3AASN A 18 8.000 6.010 -7.701 0.50 0.00 H new ATOM 0 HB3BASN A 18 6.522 5.275 -6.847 0.50 0.00 H new ATOM 0 HD21AASN A 18 9.218 9.331 -9.439 0.50 0.00 H new ATOM 0 HD21BASN A 18 9.135 7.965 -6.693 0.50 0.00 H new ATOM 0 HD22AASN A 18 7.643 8.992 -8.714 0.50 0.00 H new ATOM 0 HD22BASN A 18 7.415 7.850 -6.305 0.50 0.00 H new ATOM 477 N ASER A 19 7.112 3.799 -7.746 0.50 0.00 N ATOM 478 N BSER A 19 6.191 2.789 -7.947 0.50 0.00 N ATOM 479 CA ASER A 19 7.285 2.558 -6.998 0.50 0.00 C ATOM 480 CA BSER A 19 6.505 1.420 -7.550 0.50 0.00 C ATOM 481 C ASER A 19 6.204 1.547 -7.365 0.50 0.00 C ATOM 482 C BSER A 19 5.254 0.547 -7.576 0.50 0.00 C ATOM 483 O ASER A 19 6.426 0.338 -7.313 0.50 0.00 O ATOM 484 O BSER A 19 5.147 -0.425 -6.832 0.50 0.00 O ATOM 485 CB ASER A 19 7.249 2.836 -5.494 0.50 0.00 C ATOM 486 CB BSER A 19 7.126 1.401 -6.152 0.50 0.00 C ATOM 487 OG ASER A 19 5.992 3.358 -5.102 0.50 0.00 O ATOM 488 OG BSER A 19 6.182 1.792 -5.169 0.50 0.00 O ATOM 0 H ASER A 19 6.580 4.517 -7.255 0.50 0.00 H new ATOM 0 H BSER A 19 5.267 3.110 -7.659 0.50 0.00 H new ATOM 0 HA ASER A 19 8.256 2.137 -7.260 0.50 0.00 H new ATOM 0 HA BSER A 19 7.223 1.016 -8.263 0.50 0.00 H new ATOM 0 HB2ASER A 19 7.451 1.916 -4.946 0.50 0.00 H new ATOM 0 HB2BSER A 19 7.495 0.400 -5.928 0.50 0.00 H new ATOM 0 HB3ASER A 19 8.037 3.542 -5.233 0.50 0.00 H new ATOM 0 HB3BSER A 19 7.985 2.072 -6.123 0.50 0.00 H new ATOM 0 HG ASER A 19 6.093 4.300 -4.853 0.50 0.00 H new ATOM 0 HG BSER A 19 5.716 1.000 -4.829 0.50 0.00 H new ATOM 499 N AGLY A 20 5.031 2.051 -7.739 0.50 0.00 N ATOM 500 N BGLY A 20 4.307 0.906 -8.439 0.50 0.00 N ATOM 501 CA AGLY A 20 3.932 1.180 -8.109 0.50 0.00 C ATOM 502 CA BGLY A 20 3.075 0.147 -8.546 0.50 0.00 C ATOM 503 C AGLY A 20 3.314 0.485 -6.913 0.50 0.00 C ATOM 504 C BGLY A 20 2.414 -0.080 -7.200 0.50 0.00 C ATOM 505 O AGLY A 20 3.141 -0.734 -6.915 0.50 0.00 O ATOM 506 O BGLY A 20 1.760 -1.100 -6.986 0.50 0.00 O ATOM 0 H AGLY A 20 4.823 3.048 -7.792 0.50 0.00 H new ATOM 0 H BGLY A 20 4.372 1.709 -9.065 0.50 0.00 H new ATOM 0 HA2AGLY A 20 3.167 1.763 -8.621 0.50 0.00 H new ATOM 0 HA2BGLY A 20 2.383 0.674 -9.203 0.50 0.00 H new ATOM 0 HA3AGLY A 20 4.289 0.431 -8.816 0.50 0.00 H new ATOM 0 HA3BGLY A 20 3.285 -0.816 -9.011 0.50 0.00 H new ATOM 513 N AARG A 21 2.982 1.262 -5.886 0.50 0.00 N ATOM 514 N BARG A 21 2.587 0.872 -6.289 0.50 0.00 N ATOM 515 CA AARG A 21 2.383 0.713 -4.676 0.50 0.00 C ATOM 516 CA BARG A 21 2.006 0.771 -4.956 0.50 0.00 C ATOM 517 C AARG A 21 0.917 1.125 -4.561 0.50 0.00 C ATOM 518 C BARG A 21 0.488 0.907 -5.014 0.50 0.00 C ATOM 519 O AARG A 21 0.543 2.238 -4.926 0.50 0.00 O ATOM 520 O BARG A 21 -0.089 1.091 -6.087 0.50 0.00 O ATOM 521 CB AARG A 21 3.154 1.181 -3.441 0.50 0.00 C ATOM 522 CB BARG A 21 2.590 1.846 -4.038 0.50 0.00 C ATOM 523 CG AARG A 21 4.300 0.263 -3.054 0.50 0.00 C ATOM 524 CG BARG A 21 3.242 1.288 -2.785 0.50 0.00 C ATOM 525 CD AARG A 21 5.546 1.052 -2.681 0.50 0.00 C ATOM 526 CD BARG A 21 4.431 2.130 -2.352 0.50 0.00 C ATOM 527 NE AARG A 21 5.365 1.804 -1.443 0.50 0.00 N ATOM 528 NE BARG A 21 4.024 3.458 -1.899 0.50 0.00 N ATOM 529 CZ AARG A 21 5.094 3.105 -1.406 0.50 0.00 C ATOM 530 CZ BARG A 21 4.078 4.543 -2.665 0.50 0.00 C ATOM 531 NH1AARG A 21 4.974 3.793 -2.533 0.50 0.00 N ATOM 532 NH1BARG A 21 4.519 4.456 -3.913 0.50 0.00 N ATOM 533 NH2AARG A 21 4.945 3.719 -0.240 0.50 0.00 N ATOM 534 NH2BARG A 21 3.690 5.716 -2.184 0.50 0.00 N ATOM 0 H AARG A 21 3.118 2.273 -5.868 0.50 0.00 H new ATOM 0 H BARG A 21 3.126 1.723 -6.450 0.50 0.00 H new ATOM 0 HA AARG A 21 2.434 -0.374 -4.736 0.50 0.00 H new ATOM 0 HA BARG A 21 2.251 -0.212 -4.554 0.50 0.00 H new ATOM 0 HB2AARG A 21 3.547 2.181 -3.626 0.50 0.00 H new ATOM 0 HB2BARG A 21 3.327 2.425 -4.594 0.50 0.00 H new ATOM 0 HB3AARG A 21 2.464 1.260 -2.601 0.50 0.00 H new ATOM 0 HB3BARG A 21 1.796 2.535 -3.748 0.50 0.00 H new ATOM 0 HG2AARG A 21 3.999 -0.362 -2.213 0.50 0.00 H new ATOM 0 HG2BARG A 21 2.509 1.250 -1.979 0.50 0.00 H new ATOM 0 HG3AARG A 21 4.527 -0.407 -3.884 0.50 0.00 H new ATOM 0 HG3BARG A 21 3.568 0.264 -2.968 0.50 0.00 H new ATOM 0 HD2AARG A 21 6.388 0.369 -2.571 0.50 0.00 H new ATOM 0 HD2BARG A 21 4.963 1.620 -1.549 0.50 0.00 H new ATOM 0 HD3AARG A 21 5.796 1.739 -3.490 0.50 0.00 H new ATOM 0 HD3BARG A 21 5.128 2.228 -3.184 0.50 0.00 H new ATOM 0 HE AARG A 21 5.451 1.304 -0.558 0.50 0.00 H new ATOM 0 HE BARG A 21 3.680 3.558 -0.944 0.50 0.00 H new ATOM 0 HH11AARG A 21 5.090 3.324 -3.431 0.50 0.00 H new ATOM 0 HH11BARG A 21 4.818 3.555 -4.287 0.50 0.00 H new ATOM 0 HH12AARG A 21 4.766 4.791 -2.502 0.50 0.00 H new ATOM 0 HH12BARG A 21 4.560 5.290 -4.499 0.50 0.00 H new ATOM 0 HH21AARG A 21 5.038 3.193 0.629 0.50 0.00 H new ATOM 0 HH21BARG A 21 3.350 5.787 -1.225 0.50 0.00 H new ATOM 0 HH22AARG A 21 4.737 4.717 -0.212 0.50 0.00 H new ATOM 0 HH22BARG A 21 3.732 6.548 -2.773 0.50 0.00 H new ATOM 561 N AVAL A 22 0.092 0.217 -4.049 0.50 0.00 N ATOM 562 N BVAL A 22 -0.155 0.814 -3.854 0.50 0.00 N ATOM 563 CA AVAL A 22 -1.332 0.485 -3.884 0.50 0.00 C ATOM 564 CA BVAL A 22 -1.606 0.927 -3.773 0.50 0.00 C ATOM 565 C AVAL A 22 -1.595 1.305 -2.628 0.50 0.00 C ATOM 566 C BVAL A 22 -2.054 1.223 -2.346 0.50 0.00 C ATOM 567 O AVAL A 22 -0.960 1.096 -1.593 0.50 0.00 O ATOM 568 O BVAL A 22 -1.524 0.660 -1.389 0.50 0.00 O ATOM 569 CB AVAL A 22 -2.145 -0.821 -3.812 0.50 0.00 C ATOM 570 CB BVAL A 22 -2.298 -0.360 -4.261 0.50 0.00 C ATOM 571 CG1AVAL A 22 -3.614 -0.524 -3.546 0.50 0.00 C ATOM 572 CG1BVAL A 22 -1.790 -1.566 -3.483 0.50 0.00 C ATOM 573 CG2AVAL A 22 -1.978 -1.626 -5.092 0.50 0.00 C ATOM 574 CG2BVAL A 22 -3.808 -0.233 -4.136 0.50 0.00 C ATOM 0 H AVAL A 22 0.385 -0.710 -3.741 0.50 0.00 H new ATOM 0 H BVAL A 22 0.307 0.661 -2.957 0.50 0.00 H new ATOM 0 HA AVAL A 22 -1.650 1.054 -4.758 0.50 0.00 H new ATOM 0 HA BVAL A 22 -1.896 1.754 -4.421 0.50 0.00 H new ATOM 0 HB AVAL A 22 -1.765 -1.418 -2.983 0.50 0.00 H new ATOM 0 HB BVAL A 22 -2.055 -0.507 -5.313 0.50 0.00 H new ATOM 0 HG11AVAL A 22 -4.172 -1.459 -3.499 0.50 0.00 H new ATOM 0 HG11BVAL A 22 -2.289 -2.466 -3.841 0.50 0.00 H new ATOM 0 HG12AVAL A 22 -3.712 0.005 -2.598 0.50 0.00 H new ATOM 0 HG12BVAL A 22 -0.714 -1.666 -3.628 0.50 0.00 H new ATOM 0 HG13AVAL A 22 -4.012 0.095 -4.350 0.50 0.00 H new ATOM 0 HG13BVAL A 22 -2.002 -1.430 -2.422 0.50 0.00 H new ATOM 0 HG21AVAL A 22 -2.560 -2.545 -5.022 0.50 0.00 H new ATOM 0 HG21BVAL A 22 -4.280 -1.151 -4.485 0.50 0.00 H new ATOM 0 HG22AVAL A 22 -2.329 -1.038 -5.940 0.50 0.00 H new ATOM 0 HG22BVAL A 22 -4.074 -0.062 -3.093 0.50 0.00 H new ATOM 0 HG23AVAL A 22 -0.926 -1.873 -5.232 0.50 0.00 H new ATOM 0 HG23BVAL A 22 -4.154 0.606 -4.740 0.50 0.00 H new ATOM 593 N ATYR A 23 -2.535 2.240 -2.723 0.50 0.00 N ATOM 594 N BTYR A 23 -3.035 2.109 -2.212 0.50 0.00 N ATOM 595 CA ATYR A 23 -2.880 3.092 -1.593 0.50 0.00 C ATOM 596 CA BTYR A 23 -3.555 2.482 -0.902 0.50 0.00 C ATOM 597 C ATYR A 23 -4.338 3.533 -1.669 0.50 0.00 C ATOM 598 C BTYR A 23 -5.024 2.882 -0.992 0.50 0.00 C ATOM 599 O ATYR A 23 -4.880 3.743 -2.756 0.50 0.00 O ATOM 600 O BTYR A 23 -5.612 2.890 -2.074 0.50 0.00 O ATOM 601 CB ATYR A 23 -1.966 4.319 -1.555 0.50 0.00 C ATOM 602 CB BTYR A 23 -2.736 3.634 -0.315 0.50 0.00 C ATOM 603 CG ATYR A 23 -2.304 5.359 -2.601 0.50 0.00 C ATOM 604 CG BTYR A 23 -2.733 4.875 -1.177 0.50 0.00 C ATOM 605 CD1ATYR A 23 -3.239 6.352 -2.343 0.50 0.00 C ATOM 606 CD1BTYR A 23 -3.514 5.976 -0.847 0.50 0.00 C ATOM 607 CD2ATYR A 23 -1.687 5.345 -3.845 0.50 0.00 C ATOM 608 CD2BTYR A 23 -1.948 4.950 -2.320 0.50 0.00 C ATOM 609 CE1ATYR A 23 -3.551 7.303 -3.297 0.50 0.00 C ATOM 610 CE1BTYR A 23 -3.517 7.113 -1.630 0.50 0.00 C ATOM 611 CE2ATYR A 23 -1.991 6.293 -4.804 0.50 0.00 C ATOM 612 CE2BTYR A 23 -1.942 6.084 -3.110 0.50 0.00 C ATOM 613 CZ ATYR A 23 -2.923 7.270 -4.525 0.50 0.00 C ATOM 614 CZ BTYR A 23 -2.728 7.162 -2.761 0.50 0.00 C ATOM 615 OH ATYR A 23 -3.230 8.214 -5.476 0.50 0.00 O ATOM 616 OH BTYR A 23 -2.725 8.292 -3.546 0.50 0.00 O ATOM 0 H ATYR A 23 -3.071 2.426 -3.571 0.50 0.00 H new ATOM 0 H BTYR A 23 -3.486 2.582 -2.995 0.50 0.00 H new ATOM 0 HA ATYR A 23 -2.741 2.515 -0.679 0.50 0.00 H new ATOM 0 HA BTYR A 23 -3.473 1.615 -0.246 0.50 0.00 H new ATOM 0 HB2ATYR A 23 -2.026 4.776 -0.567 0.50 0.00 H new ATOM 0 HB2BTYR A 23 -3.132 3.886 0.669 0.50 0.00 H new ATOM 0 HB3ATYR A 23 -0.934 3.997 -1.695 0.50 0.00 H new ATOM 0 HB3BTYR A 23 -1.709 3.301 -0.169 0.50 0.00 H new ATOM 0 HD1ATYR A 23 -3.731 6.382 -1.382 0.50 0.00 H new ATOM 0 HD1BTYR A 23 -4.131 5.942 0.039 0.50 0.00 H new ATOM 0 HD2ATYR A 23 -0.957 4.580 -4.067 0.50 0.00 H new ATOM 0 HD2BTYR A 23 -1.331 4.107 -2.596 0.50 0.00 H new ATOM 0 HE1ATYR A 23 -4.283 8.068 -3.082 0.50 0.00 H new ATOM 0 HE1BTYR A 23 -4.133 7.958 -1.359 0.50 0.00 H new ATOM 0 HE2ATYR A 23 -1.501 6.269 -5.766 0.50 0.00 H new ATOM 0 HE2BTYR A 23 -1.325 6.126 -3.996 0.50 0.00 H new ATOM 0 HH ATYR A 23 -2.699 8.050 -6.283 0.50 0.00 H new ATOM 0 HH BTYR A 23 -2.115 8.163 -4.303 0.50 0.00 H new ATOM 635 N ATYR A 24 -4.971 3.673 -0.509 0.50 0.00 N ATOM 636 N BTYR A 24 -5.610 3.217 0.152 0.50 0.00 N ATOM 637 CA ATYR A 24 -6.366 4.087 -0.443 0.50 0.00 C ATOM 638 CA BTYR A 24 -7.011 3.617 0.204 0.50 0.00 C ATOM 639 C ATYR A 24 -6.480 5.563 -0.072 0.50 0.00 C ATOM 640 C BTYR A 24 -7.161 4.993 0.845 0.50 0.00 C ATOM 641 O ATYR A 24 -5.578 6.132 0.540 0.50 0.00 O ATOM 642 O BTYR A 24 -6.787 5.197 2.000 0.50 0.00 O ATOM 643 CB ATYR A 24 -7.126 3.234 0.574 0.50 0.00 C ATOM 644 CB BTYR A 24 -7.829 2.587 0.984 0.50 0.00 C ATOM 645 CG ATYR A 24 -6.910 1.747 0.398 0.50 0.00 C ATOM 646 CG BTYR A 24 -7.853 1.219 0.340 0.50 0.00 C ATOM 647 CD1ATYR A 24 -7.177 1.127 -0.815 0.50 0.00 C ATOM 648 CD1BTYR A 24 -6.859 0.285 0.607 0.50 0.00 C ATOM 649 CD2ATYR A 24 -6.441 0.965 1.447 0.50 0.00 C ATOM 650 CD2BTYR A 24 -8.870 0.860 -0.537 0.50 0.00 C ATOM 651 CE1ATYR A 24 -6.981 -0.232 -0.980 0.50 0.00 C ATOM 652 CE1BTYR A 24 -6.876 -0.965 0.020 0.50 0.00 C ATOM 653 CE2ATYR A 24 -6.242 -0.393 1.291 0.50 0.00 C ATOM 654 CE2BTYR A 24 -8.895 -0.388 -1.128 0.50 0.00 C ATOM 655 CZ ATYR A 24 -6.514 -0.986 0.077 0.50 0.00 C ATOM 656 CZ BTYR A 24 -7.897 -1.297 -0.846 0.50 0.00 C ATOM 657 OH ATYR A 24 -6.317 -2.340 -0.083 0.50 0.00 O ATOM 658 OH BTYR A 24 -7.919 -2.542 -1.433 0.50 0.00 O ATOM 0 H ATYR A 24 -4.538 3.505 0.399 0.50 0.00 H new ATOM 0 H BTYR A 24 -5.137 3.220 1.056 0.50 0.00 H new ATOM 0 HA ATYR A 24 -6.807 3.944 -1.429 0.50 0.00 H new ATOM 0 HA BTYR A 24 -7.385 3.669 -0.818 0.50 0.00 H new ATOM 0 HB2ATYR A 24 -6.818 3.521 1.579 0.50 0.00 H new ATOM 0 HB2BTYR A 24 -7.421 2.498 1.991 0.50 0.00 H new ATOM 0 HB3ATYR A 24 -8.191 3.450 0.493 0.50 0.00 H new ATOM 0 HB3BTYR A 24 -8.852 2.949 1.086 0.50 0.00 H new ATOM 0 HD1ATYR A 24 -7.544 1.715 -1.643 0.50 0.00 H new ATOM 0 HD1BTYR A 24 -6.059 0.541 1.286 0.50 0.00 H new ATOM 0 HD2ATYR A 24 -6.229 1.427 2.400 0.50 0.00 H new ATOM 0 HD2BTYR A 24 -9.654 1.569 -0.760 0.50 0.00 H new ATOM 0 HE1ATYR A 24 -7.192 -0.700 -1.930 0.50 0.00 H new ATOM 0 HE1BTYR A 24 -6.095 -1.678 0.238 0.50 0.00 H new ATOM 0 HE2ATYR A 24 -5.875 -0.987 2.115 0.50 0.00 H new ATOM 0 HE2BTYR A 24 -9.692 -0.651 -1.808 0.50 0.00 H new ATOM 0 HH ATYR A 24 -5.984 -2.724 0.755 0.50 0.00 H new ATOM 0 HH BTYR A 24 -8.704 -2.616 -2.014 0.50 0.00 H new ATOM 677 N APHE A 25 -7.598 6.177 -0.448 0.50 0.00 N ATOM 678 N BPHE A 25 -7.713 5.934 0.087 0.50 0.00 N ATOM 679 CA APHE A 25 -7.832 7.586 -0.157 0.50 0.00 C ATOM 680 CA BPHE A 25 -7.915 7.293 0.579 0.50 0.00 C ATOM 681 C APHE A 25 -9.260 7.810 0.330 0.50 0.00 C ATOM 682 C BPHE A 25 -9.382 7.696 0.483 0.50 0.00 C ATOM 683 O APHE A 25 -10.219 7.563 -0.397 0.50 0.00 O ATOM 684 O BPHE A 25 -9.998 7.588 -0.576 0.50 0.00 O ATOM 685 CB APHE A 25 -7.563 8.437 -1.398 0.50 0.00 C ATOM 686 CB BPHE A 25 -7.051 8.277 -0.211 0.50 0.00 C ATOM 687 CG APHE A 25 -6.908 9.755 -1.092 0.50 0.00 C ATOM 688 CG BPHE A 25 -7.346 9.717 0.099 0.50 0.00 C ATOM 689 CD1APHE A 25 -5.914 10.256 -1.915 0.50 0.00 C ATOM 690 CD1BPHE A 25 -8.335 10.400 -0.589 0.50 0.00 C ATOM 691 CD2APHE A 25 -7.289 10.490 0.017 0.50 0.00 C ATOM 692 CD2BPHE A 25 -6.633 10.389 1.080 0.50 0.00 C ATOM 693 CE1APHE A 25 -5.309 11.469 -1.636 0.50 0.00 C ATOM 694 CE1BPHE A 25 -8.609 11.725 -0.306 0.50 0.00 C ATOM 695 CE2APHE A 25 -6.689 11.703 0.301 0.50 0.00 C ATOM 696 CE2BPHE A 25 -6.903 11.711 1.369 0.50 0.00 C ATOM 697 CZ APHE A 25 -5.697 12.192 -0.526 0.50 0.00 C ATOM 698 CZ BPHE A 25 -7.891 12.382 0.673 0.50 0.00 C ATOM 0 H APHE A 25 -8.356 5.720 -0.955 0.50 0.00 H new ATOM 0 H BPHE A 25 -8.029 5.781 -0.871 0.50 0.00 H new ATOM 0 HA APHE A 25 -7.146 7.887 0.635 0.50 0.00 H new ATOM 0 HA BPHE A 25 -7.619 7.320 1.628 0.50 0.00 H new ATOM 0 HB2APHE A 25 -6.928 7.875 -2.083 0.50 0.00 H new ATOM 0 HB2BPHE A 25 -6.001 8.076 -0.000 0.50 0.00 H new ATOM 0 HB3APHE A 25 -8.505 8.620 -1.914 0.50 0.00 H new ATOM 0 HB3BPHE A 25 -7.201 8.105 -1.277 0.50 0.00 H new ATOM 0 HD1APHE A 25 -5.607 9.694 -2.785 0.50 0.00 H new ATOM 0 HD1BPHE A 25 -8.899 9.891 -1.356 0.50 0.00 H new ATOM 0 HD2APHE A 25 -8.064 10.112 0.668 0.50 0.00 H new ATOM 0 HD2BPHE A 25 -5.857 9.872 1.624 0.50 0.00 H new ATOM 0 HE1APHE A 25 -4.535 11.849 -2.286 0.50 0.00 H new ATOM 0 HE1BPHE A 25 -9.383 12.245 -0.850 0.50 0.00 H new ATOM 0 HE2APHE A 25 -6.996 12.268 1.169 0.50 0.00 H new ATOM 0 HE2BPHE A 25 -6.343 12.221 2.139 0.50 0.00 H new ATOM 0 HZ APHE A 25 -5.226 13.138 -0.305 0.50 0.00 H new ATOM 0 HZ BPHE A 25 -8.101 13.418 0.895 0.50 0.00 H new ATOM 717 N AASN A 26 -9.391 8.281 1.566 0.50 0.00 N ATOM 718 N BASN A 26 -9.937 8.157 1.599 0.50 0.00 N ATOM 719 CA AASN A 26 -10.702 8.539 2.150 0.50 0.00 C ATOM 720 CA BASN A 26 -11.335 8.574 1.642 0.50 0.00 C ATOM 721 C AASN A 26 -11.084 10.008 2.004 0.50 0.00 C ATOM 722 C BASN A 26 -11.448 10.097 1.629 0.50 0.00 C ATOM 723 O AASN A 26 -10.450 10.887 2.589 0.50 0.00 O ATOM 724 O BASN A 26 -10.751 10.789 2.371 0.50 0.00 O ATOM 725 CB AASN A 26 -10.712 8.143 3.629 0.50 0.00 C ATOM 726 CB BASN A 26 -12.020 8.012 2.888 0.50 0.00 C ATOM 727 CG AASN A 26 -12.087 8.275 4.255 0.50 0.00 C ATOM 728 CG BASN A 26 -13.500 8.333 2.930 0.50 0.00 C ATOM 729 OD1AASN A 26 -12.425 9.314 4.822 0.50 0.00 O ATOM 730 OD1BASN A 26 -14.039 8.951 2.012 0.50 0.00 O ATOM 731 ND2AASN A 26 -12.886 7.220 4.151 0.50 0.00 N ATOM 732 ND2BASN A 26 -14.166 7.917 4.001 0.50 0.00 N ATOM 0 H AASN A 26 -8.606 8.492 2.182 0.50 0.00 H new ATOM 0 H BASN A 26 -9.441 8.251 2.485 0.50 0.00 H new ATOM 0 HA AASN A 26 -11.435 7.936 1.614 0.50 0.00 H new ATOM 0 HA BASN A 26 -11.832 8.181 0.755 0.50 0.00 H new ATOM 0 HB2AASN A 26 -10.368 7.114 3.729 0.50 0.00 H new ATOM 0 HB2BASN A 26 -11.885 6.931 2.917 0.50 0.00 H new ATOM 0 HB3AASN A 26 -10.006 8.769 4.175 0.50 0.00 H new ATOM 0 HB3BASN A 26 -11.538 8.417 3.778 0.50 0.00 H new ATOM 0 HD21AASN A 26 -13.824 7.249 4.550 0.50 0.00 H new ATOM 0 HD21BASN A 26 -15.165 8.107 4.086 0.50 0.00 H new ATOM 0 HD22AASN A 26 -12.562 6.380 3.672 0.50 0.00 H new ATOM 0 HD22BASN A 26 -13.679 7.408 4.738 0.50 0.00 H new ATOM 745 N AHIS A 27 -12.125 10.269 1.219 0.50 0.00 N ATOM 746 N BHIS A 27 -12.332 10.610 0.779 0.50 0.00 N ATOM 747 CA AHIS A 27 -12.593 11.632 0.995 0.50 0.00 C ATOM 748 CA BHIS A 27 -12.538 12.050 0.669 0.50 0.00 C ATOM 749 C AHIS A 27 -13.676 12.006 2.002 0.50 0.00 C ATOM 750 C BHIS A 27 -13.399 12.566 1.819 0.50 0.00 C ATOM 751 O AHIS A 27 -14.468 12.919 1.765 0.50 0.00 O ATOM 752 O BHIS A 27 -13.415 13.762 2.107 0.50 0.00 O ATOM 753 CB AHIS A 27 -13.129 11.782 -0.429 0.50 0.00 C ATOM 754 CB BHIS A 27 -13.196 12.392 -0.667 0.50 0.00 C ATOM 755 CG AHIS A 27 -14.036 10.667 -0.849 0.50 0.00 C ATOM 756 CG BHIS A 27 -12.890 11.409 -1.754 0.50 0.00 C ATOM 757 ND1AHIS A 27 -13.658 9.683 -1.737 0.50 0.00 N ATOM 758 ND1BHIS A 27 -13.859 10.860 -2.568 0.50 0.00 N ATOM 759 CD2AHIS A 27 -15.310 10.381 -0.494 0.50 0.00 C ATOM 760 CD2BHIS A 27 -11.714 10.876 -2.161 0.50 0.00 C ATOM 761 CE1AHIS A 27 -14.660 8.841 -1.912 0.50 0.00 C ATOM 762 CE1BHIS A 27 -13.293 10.032 -3.427 0.50 0.00 C ATOM 763 NE2AHIS A 27 -15.675 9.243 -1.170 0.50 0.00 N ATOM 764 NE2BHIS A 27 -11.992 10.022 -3.201 0.50 0.00 N ATOM 0 H AHIS A 27 -12.661 9.554 0.727 0.50 0.00 H new ATOM 0 H BHIS A 27 -12.916 10.051 0.157 0.50 0.00 H new ATOM 0 HA AHIS A 27 -11.748 12.307 1.129 0.50 0.00 H new ATOM 0 HA BHIS A 27 -11.564 12.536 0.721 0.50 0.00 H new ATOM 0 HB2AHIS A 27 -13.667 12.726 -0.508 0.50 0.00 H new ATOM 0 HB2BHIS A 27 -14.276 12.443 -0.528 0.50 0.00 H new ATOM 0 HB3AHIS A 27 -12.288 11.836 -1.121 0.50 0.00 H new ATOM 0 HB3BHIS A 27 -12.868 13.383 -0.981 0.50 0.00 H new ATOM 0 HD1BHIS A 27 -14.857 11.062 -2.515 0.50 0.00 H new ATOM 0 HD2AHIS A 27 -15.925 10.943 0.193 0.50 0.00 H new ATOM 0 HD2BHIS A 27 -10.739 11.083 -1.746 0.50 0.00 H new ATOM 0 HE1AHIS A 27 -14.651 7.972 -2.553 0.50 0.00 H new ATOM 0 HE1BHIS A 27 -13.807 9.460 -4.186 0.50 0.00 H new ATOM 0 HE2AHIS A 27 -16.583 8.783 -1.109 0.50 0.00 H new ATOM 779 N AILE A 28 -13.705 11.295 3.123 0.50 0.00 N ATOM 780 N BILE A 28 -14.111 11.654 2.472 0.50 0.00 N ATOM 781 CA AILE A 28 -14.693 11.553 4.165 0.50 0.00 C ATOM 782 CA BILE A 28 -14.974 12.016 3.590 0.50 0.00 C ATOM 783 C AILE A 28 -14.048 12.210 5.381 0.50 0.00 C ATOM 784 C BILE A 28 -14.157 12.320 4.841 0.50 0.00 C ATOM 785 O AILE A 28 -14.631 13.097 6.004 0.50 0.00 O ATOM 786 O BILE A 28 -14.348 13.350 5.487 0.50 0.00 O ATOM 787 CB AILE A 28 -15.395 10.256 4.609 0.50 0.00 C ATOM 788 CB BILE A 28 -15.983 10.895 3.909 0.50 0.00 C ATOM 789 CG1AILE A 28 -16.178 9.649 3.443 0.50 0.00 C ATOM 790 CG1BILE A 28 -16.824 10.570 2.675 0.50 0.00 C ATOM 791 CG2AILE A 28 -16.318 10.530 5.787 0.50 0.00 C ATOM 792 CG2BILE A 28 -16.874 11.301 5.072 0.50 0.00 C ATOM 793 CD1AILE A 28 -17.028 8.462 3.838 0.50 0.00 C ATOM 794 CD1BILE A 28 -18.108 9.839 2.996 0.50 0.00 C ATOM 0 H AILE A 28 -13.057 10.536 3.334 0.50 0.00 H new ATOM 0 H BILE A 28 -14.107 10.659 2.246 0.50 0.00 H new ATOM 0 HA AILE A 28 -15.434 12.229 3.738 0.50 0.00 H new ATOM 0 HA BILE A 28 -15.519 12.911 3.290 0.50 0.00 H new ATOM 0 HB AILE A 28 -14.636 9.540 4.925 0.50 0.00 H new ATOM 0 HB BILE A 28 -15.431 10.000 4.195 0.50 0.00 H new ATOM 0 HG12AILE A 28 -16.819 10.416 3.008 0.50 0.00 H new ATOM 0 HG12BILE A 28 -17.063 11.497 2.154 0.50 0.00 H new ATOM 0 HG13AILE A 28 -15.477 9.341 2.667 0.50 0.00 H new ATOM 0 HG13BILE A 28 -16.231 9.963 1.990 0.50 0.00 H new ATOM 0 HG21AILE A 28 -16.807 9.604 6.089 0.50 0.00 H new ATOM 0 HG21BILE A 28 -17.581 10.500 5.286 0.50 0.00 H new ATOM 0 HG22AILE A 28 -15.737 10.922 6.621 0.50 0.00 H new ATOM 0 HG22BILE A 28 -16.260 11.487 5.953 0.50 0.00 H new ATOM 0 HG23AILE A 28 -17.073 11.260 5.496 0.50 0.00 H new ATOM 0 HG23BILE A 28 -17.421 12.208 4.812 0.50 0.00 H new ATOM 0 HD11AILE A 28 -17.554 8.084 2.962 0.50 0.00 H new ATOM 0 HD11BILE A 28 -18.654 9.641 2.074 0.50 0.00 H new ATOM 0 HD12AILE A 28 -16.390 7.677 4.245 0.50 0.00 H new ATOM 0 HD12BILE A 28 -17.876 8.896 3.490 0.50 0.00 H new ATOM 0 HD13AILE A 28 -17.753 8.768 4.592 0.50 0.00 H new ATOM 0 HD13BILE A 28 -18.721 10.453 3.656 0.50 0.00 H new ATOM 817 N ATHR A 29 -12.838 11.770 5.714 0.50 0.00 N ATOM 818 N BTHR A 29 -13.238 11.417 5.174 0.50 0.00 N ATOM 819 CA ATHR A 29 -12.113 12.314 6.855 0.50 0.00 C ATOM 820 CA BTHR A 29 -12.389 11.588 6.346 0.50 0.00 C ATOM 821 C ATHR A 29 -10.615 12.371 6.579 0.50 0.00 C ATOM 822 C BTHR A 29 -11.054 12.220 5.969 0.50 0.00 C ATOM 823 O ATHR A 29 -9.803 12.274 7.495 0.50 0.00 O ATOM 824 O BTHR A 29 -10.377 12.811 6.810 0.50 0.00 O ATOM 825 CB ATHR A 29 -12.358 11.480 8.126 0.50 0.00 C ATOM 826 CB BTHR A 29 -12.128 10.244 7.052 0.50 0.00 C ATOM 827 OG1ATHR A 29 -11.831 10.160 7.954 0.50 0.00 O ATOM 828 OG1BTHR A 29 -11.723 9.259 6.094 0.50 0.00 O ATOM 829 CG2ATHR A 29 -13.843 11.402 8.447 0.50 0.00 C ATOM 830 CG2BTHR A 29 -13.373 9.767 7.785 0.50 0.00 C ATOM 0 H ATHR A 29 -12.340 11.038 5.209 0.50 0.00 H new ATOM 0 H BTHR A 29 -13.064 10.561 4.648 0.50 0.00 H new ATOM 0 HA ATHR A 29 -12.489 13.325 7.015 0.50 0.00 H new ATOM 0 HA BTHR A 29 -12.921 12.250 7.029 0.50 0.00 H new ATOM 0 HB ATHR A 29 -11.850 11.969 8.957 0.50 0.00 H new ATOM 0 HB BTHR A 29 -11.331 10.389 7.781 0.50 0.00 H new ATOM 0 HG1ATHR A 29 -11.989 9.636 8.767 0.50 0.00 H new ATOM 0 HG1BTHR A 29 -11.557 8.408 6.550 0.50 0.00 H new ATOM 0 HG21ATHR A 29 -13.990 10.808 9.349 0.50 0.00 H new ATOM 0 HG21BTHR A 29 -13.164 8.816 8.276 0.50 0.00 H new ATOM 0 HG22ATHR A 29 -14.234 12.407 8.607 0.50 0.00 H new ATOM 0 HG22BTHR A 29 -13.660 10.506 8.533 0.50 0.00 H new ATOM 0 HG23ATHR A 29 -14.371 10.936 7.615 0.50 0.00 H new ATOM 0 HG23BTHR A 29 -14.187 9.636 7.072 0.50 0.00 H new ATOM 845 N AASN A 30 -10.258 12.531 5.308 0.50 0.00 N ATOM 846 N BASN A 30 -10.681 12.090 4.701 0.50 0.00 N ATOM 847 CA AASN A 30 -8.857 12.602 4.912 0.50 0.00 C ATOM 848 CA BASN A 30 -9.425 12.648 4.212 0.50 0.00 C ATOM 849 C AASN A 30 -8.049 11.489 5.569 0.50 0.00 C ATOM 850 C BASN A 30 -8.231 11.920 4.823 0.50 0.00 C ATOM 851 O AASN A 30 -6.852 11.637 5.809 0.50 0.00 O ATOM 852 O BASN A 30 -7.161 12.501 4.999 0.50 0.00 O ATOM 853 CB AASN A 30 -8.268 13.964 5.283 0.50 0.00 C ATOM 854 CB BASN A 30 -9.346 14.142 4.538 0.50 0.00 C ATOM 855 CG AASN A 30 -9.273 15.091 5.128 0.50 0.00 C ATOM 856 CG BASN A 30 -8.624 14.931 3.463 0.50 0.00 C ATOM 857 OD1AASN A 30 -9.410 15.941 6.006 0.50 0.00 O ATOM 858 OD1BASN A 30 -9.111 15.962 3.002 0.50 0.00 O ATOM 859 ND2AASN A 30 -9.982 15.100 4.005 0.50 0.00 N ATOM 860 ND2BASN A 30 -7.455 14.447 3.059 0.50 0.00 N ATOM 0 H AASN A 30 -10.920 12.614 4.536 0.50 0.00 H new ATOM 0 H BASN A 30 -11.230 11.603 3.993 0.50 0.00 H new ATOM 0 HA AASN A 30 -8.804 12.474 3.831 0.50 0.00 H new ATOM 0 HA BASN A 30 -9.394 12.516 3.131 0.50 0.00 H new ATOM 0 HB2AASN A 30 -7.915 13.935 6.314 0.50 0.00 H new ATOM 0 HB2BASN A 30 -10.354 14.538 4.660 0.50 0.00 H new ATOM 0 HB3AASN A 30 -7.401 14.165 4.654 0.50 0.00 H new ATOM 0 HB3BASN A 30 -8.833 14.277 5.490 0.50 0.00 H new ATOM 0 HD21AASN A 30 -10.673 15.833 3.844 0.50 0.00 H new ATOM 0 HD21BASN A 30 -6.923 14.934 2.338 0.50 0.00 H new ATOM 0 HD22AASN A 30 -9.835 14.374 3.303 0.50 0.00 H new ATOM 0 HD22BASN A 30 -7.089 13.588 3.470 0.50 0.00 H new ATOM 873 N AALA A 31 -8.713 10.375 5.858 0.50 0.00 N ATOM 874 N BALA A 31 -8.424 10.644 5.141 0.50 0.00 N ATOM 875 CA AALA A 31 -8.055 9.235 6.487 0.50 0.00 C ATOM 876 CA BALA A 31 -7.363 9.835 5.729 0.50 0.00 C ATOM 877 C AALA A 31 -7.271 8.422 5.464 0.50 0.00 C ATOM 878 C BALA A 31 -6.916 8.737 4.770 0.50 0.00 C ATOM 879 O AALA A 31 -7.852 7.742 4.618 0.50 0.00 O ATOM 880 O BALA A 31 -7.742 8.066 4.151 0.50 0.00 O ATOM 881 CB AALA A 31 -9.079 8.357 7.191 0.50 0.00 C ATOM 882 CB BALA A 31 -7.828 9.231 7.047 0.50 0.00 C ATOM 0 H AALA A 31 -9.705 10.237 5.667 0.50 0.00 H new ATOM 0 H BALA A 31 -9.305 10.148 5.001 0.50 0.00 H new ATOM 0 HA AALA A 31 -7.350 9.615 7.227 0.50 0.00 H new ATOM 0 HA BALA A 31 -6.509 10.484 5.921 0.50 0.00 H new ATOM 0 HB1AALA A 31 -8.574 7.510 7.656 0.50 0.00 H new ATOM 0 HB1BALA A 31 -7.026 8.630 7.475 0.50 0.00 H new ATOM 0 HB2AALA A 31 -9.592 8.939 7.957 0.50 0.00 H new ATOM 0 HB2BALA A 31 -8.092 10.030 7.740 0.50 0.00 H new ATOM 0 HB3AALA A 31 -9.806 7.992 6.465 0.50 0.00 H new ATOM 0 HB3BALA A 31 -8.700 8.601 6.871 0.50 0.00 H new ATOM 893 N ASER A 32 -5.946 8.495 5.546 0.50 0.00 N ATOM 894 N BSER A 32 -5.603 8.559 4.654 0.50 0.00 N ATOM 895 CA ASER A 32 -5.081 7.767 4.624 0.50 0.00 C ATOM 896 CA BSER A 32 -5.047 7.545 3.766 0.50 0.00 C ATOM 897 C ASER A 32 -4.350 6.637 5.342 0.50 0.00 C ATOM 898 C BSER A 32 -4.538 6.347 4.562 0.50 0.00 C ATOM 899 O ASER A 32 -3.847 6.816 6.451 0.50 0.00 O ATOM 900 O BSER A 32 -4.084 6.490 5.696 0.50 0.00 O ATOM 901 CB ASER A 32 -4.070 8.719 3.982 0.50 0.00 C ATOM 902 CB BSER A 32 -3.908 8.137 2.932 0.50 0.00 C ATOM 903 OG ASER A 32 -2.837 8.065 3.738 0.50 0.00 O ATOM 904 OG BSER A 32 -3.436 9.347 3.499 0.50 0.00 O ATOM 0 H ASER A 32 -5.448 9.051 6.241 0.50 0.00 H new ATOM 0 H BSER A 32 -4.906 9.103 5.163 0.50 0.00 H new ATOM 0 HA ASER A 32 -5.706 7.332 3.844 0.50 0.00 H new ATOM 0 HA BSER A 32 -5.840 7.207 3.099 0.50 0.00 H new ATOM 0 HB2ASER A 32 -4.473 9.104 3.045 0.50 0.00 H new ATOM 0 HB2BSER A 32 -3.090 7.419 2.866 0.50 0.00 H new ATOM 0 HB3ASER A 32 -3.907 9.576 4.635 0.50 0.00 H new ATOM 0 HB3BSER A 32 -4.255 8.319 1.915 0.50 0.00 H new ATOM 0 HG ASER A 32 -2.209 8.694 3.326 0.50 0.00 H new ATOM 0 HG BSER A 32 -2.708 9.704 2.949 0.50 0.00 H new ATOM 915 N AGLN A 33 -4.295 5.475 4.700 0.50 0.00 N ATOM 916 N BGLN A 33 -4.621 5.166 3.958 0.50 0.00 N ATOM 917 CA AGLN A 33 -3.624 4.316 5.278 0.50 0.00 C ATOM 918 CA BGLN A 33 -4.170 3.941 4.610 0.50 0.00 C ATOM 919 C AGLN A 33 -3.358 3.256 4.212 0.50 0.00 C ATOM 920 C BGLN A 33 -3.780 2.889 3.581 0.50 0.00 C ATOM 921 O AGLN A 33 -3.932 3.294 3.125 0.50 0.00 O ATOM 922 O BGLN A 33 -4.465 2.706 2.573 0.50 0.00 O ATOM 923 CB AGLN A 33 -4.470 3.721 6.405 0.50 0.00 C ATOM 924 CB BGLN A 33 -5.267 3.395 5.526 0.50 0.00 C ATOM 925 CG AGLN A 33 -5.656 2.907 5.912 0.50 0.00 C ATOM 926 CG BGLN A 33 -4.771 3.030 6.917 0.50 0.00 C ATOM 927 CD AGLN A 33 -6.445 2.282 7.045 0.50 0.00 C ATOM 928 CD BGLN A 33 -5.903 2.768 7.890 0.50 0.00 C ATOM 929 OE1AGLN A 33 -5.878 1.853 8.050 0.50 0.00 O ATOM 930 OE1BGLN A 33 -6.134 3.545 8.816 0.50 0.00 O ATOM 931 NE2AGLN A 33 -7.763 2.229 6.889 0.50 0.00 N ATOM 932 NE2BGLN A 33 -6.617 1.666 7.685 0.50 0.00 N ATOM 0 H AGLN A 33 -4.706 5.311 3.781 0.50 0.00 H new ATOM 0 H BGLN A 33 -4.996 5.031 3.019 0.50 0.00 H new ATOM 0 HA AGLN A 33 -2.668 4.645 5.686 0.50 0.00 H new ATOM 0 HA BGLN A 33 -3.291 4.179 5.208 0.50 0.00 H new ATOM 0 HB2AGLN A 33 -3.838 3.087 7.026 0.50 0.00 H new ATOM 0 HB2BGLN A 33 -6.059 4.139 5.615 0.50 0.00 H new ATOM 0 HB3AGLN A 33 -4.833 4.529 7.040 0.50 0.00 H new ATOM 0 HB3BGLN A 33 -5.709 2.513 5.064 0.50 0.00 H new ATOM 0 HG2AGLN A 33 -6.314 3.549 5.327 0.50 0.00 H new ATOM 0 HG2BGLN A 33 -4.140 2.144 6.853 0.50 0.00 H new ATOM 0 HG3AGLN A 33 -5.301 2.122 5.245 0.50 0.00 H new ATOM 0 HG3BGLN A 33 -4.148 3.838 7.300 0.50 0.00 H new ATOM 0 HE21AGLN A 33 -8.191 2.597 6.039 0.50 0.00 H new ATOM 0 HE21BGLN A 33 -6.391 1.050 6.905 0.50 0.00 H new ATOM 0 HE22AGLN A 33 -8.347 1.821 7.619 0.50 0.00 H new ATOM 0 HE22BGLN A 33 -7.391 1.437 8.308 0.50 0.00 H new ATOM 949 N APHE A 34 -2.479 2.312 4.534 0.50 0.00 N ATOM 950 N BPHE A 34 -2.676 2.197 3.837 0.50 0.00 N ATOM 951 CA APHE A 34 -2.133 1.242 3.606 0.50 0.00 C ATOM 952 CA BPHE A 34 -2.192 1.159 2.933 0.50 0.00 C ATOM 953 C APHE A 34 -2.617 -0.108 4.126 0.50 0.00 C ATOM 954 C BPHE A 34 -3.075 -0.082 3.007 0.50 0.00 C ATOM 955 O APHE A 34 -1.844 -1.060 4.228 0.50 0.00 O ATOM 956 O BPHE A 34 -3.319 -0.743 1.998 0.50 0.00 O ATOM 957 CB APHE A 34 -0.621 1.201 3.379 0.50 0.00 C ATOM 958 CB BPHE A 34 -0.745 0.792 3.268 0.50 0.00 C ATOM 959 CG APHE A 34 0.018 2.560 3.362 0.50 0.00 C ATOM 960 CG BPHE A 34 0.241 1.871 2.927 0.50 0.00 C ATOM 961 CD1APHE A 34 0.710 3.030 4.465 0.50 0.00 C ATOM 962 CD1BPHE A 34 1.003 2.471 3.917 0.50 0.00 C ATOM 963 CD2APHE A 34 -0.071 3.366 2.237 0.50 0.00 C ATOM 964 CD2BPHE A 34 0.409 2.285 1.615 0.50 0.00 C ATOM 965 CE1APHE A 34 1.300 4.281 4.451 0.50 0.00 C ATOM 966 CE1BPHE A 34 1.914 3.464 3.606 0.50 0.00 C ATOM 967 CE2APHE A 34 0.519 4.617 2.217 0.50 0.00 C ATOM 968 CE2BPHE A 34 1.319 3.278 1.298 0.50 0.00 C ATOM 969 CZ APHE A 34 1.204 5.074 3.325 0.50 0.00 C ATOM 970 CZ BPHE A 34 2.070 3.868 2.295 0.50 0.00 C ATOM 0 H APHE A 34 -1.994 2.267 5.430 0.50 0.00 H new ATOM 0 H BPHE A 34 -2.097 2.336 4.665 0.50 0.00 H new ATOM 0 HA APHE A 34 -2.630 1.446 2.657 0.50 0.00 H new ATOM 0 HA BPHE A 34 -2.232 1.551 1.917 0.50 0.00 H new ATOM 0 HB2APHE A 34 -0.160 0.601 4.163 0.50 0.00 H new ATOM 0 HB2BPHE A 34 -0.673 0.568 4.332 0.50 0.00 H new ATOM 0 HB3APHE A 34 -0.417 0.700 2.433 0.50 0.00 H new ATOM 0 HB3BPHE A 34 -0.476 -0.118 2.732 0.50 0.00 H new ATOM 0 HD1APHE A 34 0.790 2.412 5.347 0.50 0.00 H new ATOM 0 HD1BPHE A 34 0.884 2.159 4.944 0.50 0.00 H new ATOM 0 HD2APHE A 34 -0.606 3.013 1.368 0.50 0.00 H new ATOM 0 HD2BPHE A 34 -0.177 1.828 0.831 0.50 0.00 H new ATOM 0 HE1APHE A 34 1.835 4.637 5.319 0.50 0.00 H new ATOM 0 HE1BPHE A 34 2.502 3.923 4.387 0.50 0.00 H new ATOM 0 HE2APHE A 34 0.444 5.236 1.335 0.50 0.00 H new ATOM 0 HE2BPHE A 34 1.442 3.591 0.272 0.50 0.00 H new ATOM 0 HZ APHE A 34 1.664 6.051 3.311 0.50 0.00 H new ATOM 0 HZ BPHE A 34 2.779 4.645 2.050 0.50 0.00 H new ATOM 989 N AGLU A 35 -3.904 -0.182 4.454 0.50 0.00 N ATOM 990 N BGLU A 35 -3.551 -0.392 4.209 0.50 0.00 N ATOM 991 CA AGLU A 35 -4.491 -1.415 4.967 0.50 0.00 C ATOM 992 CA BGLU A 35 -4.405 -1.555 4.414 0.50 0.00 C ATOM 993 C AGLU A 35 -5.956 -1.532 4.554 0.50 0.00 C ATOM 994 C BGLU A 35 -5.861 -1.222 4.102 0.50 0.00 C ATOM 995 O AGLU A 35 -6.678 -0.536 4.501 0.50 0.00 O ATOM 996 O BGLU A 35 -6.215 -0.060 3.907 0.50 0.00 O ATOM 997 CB AGLU A 35 -4.372 -1.468 6.491 0.50 0.00 C ATOM 998 CB BGLU A 35 -4.281 -2.058 5.855 0.50 0.00 C ATOM 999 CG AGLU A 35 -3.169 -2.255 6.981 0.50 0.00 C ATOM 1000 CG BGLU A 35 -2.846 -2.144 6.348 0.50 0.00 C ATOM 1001 CD AGLU A 35 -1.898 -1.426 7.001 0.50 0.00 C ATOM 1002 CD BGLU A 35 -2.553 -1.156 7.461 0.50 0.00 C ATOM 1003 OE1AGLU A 35 -1.980 -0.226 7.337 0.50 0.00 O ATOM 1004 OE1BGLU A 35 -2.487 -1.588 8.632 0.50 0.00 O ATOM 1005 OE2AGLU A 35 -0.825 -1.978 6.681 0.50 0.00 O ATOM 1006 OE2BGLU A 35 -2.392 0.045 7.163 0.50 0.00 O ATOM 0 H AGLU A 35 -4.559 0.596 4.374 0.50 0.00 H new ATOM 0 H BGLU A 35 -3.360 0.146 5.054 0.50 0.00 H new ATOM 0 HA AGLU A 35 -3.943 -2.254 4.539 0.50 0.00 H new ATOM 0 HA BGLU A 35 -4.077 -2.341 3.733 0.50 0.00 H new ATOM 0 HB2AGLU A 35 -4.312 -0.451 6.878 0.50 0.00 H new ATOM 0 HB2BGLU A 35 -4.843 -1.394 6.512 0.50 0.00 H new ATOM 0 HB3AGLU A 35 -5.278 -1.912 6.902 0.50 0.00 H new ATOM 0 HB3BGLU A 35 -4.741 -3.043 5.928 0.50 0.00 H new ATOM 0 HG2AGLU A 35 -3.369 -2.630 7.985 0.50 0.00 H new ATOM 0 HG2BGLU A 35 -2.647 -3.155 6.703 0.50 0.00 H new ATOM 0 HG3AGLU A 35 -3.022 -3.124 6.339 0.50 0.00 H new ATOM 0 HG3BGLU A 35 -2.168 -1.959 5.515 0.50 0.00 H new ATOM 1019 N AARG A 36 -6.388 -2.754 4.265 0.50 0.00 N ATOM 1020 N BARG A 36 -6.701 -2.251 4.060 0.50 0.00 N ATOM 1021 CA AARG A 36 -7.764 -3.002 3.856 0.50 0.00 C ATOM 1022 CA BARG A 36 -8.118 -2.070 3.771 0.50 0.00 C ATOM 1023 C AARG A 36 -8.744 -2.332 4.814 0.50 0.00 C ATOM 1024 C BARG A 36 -8.913 -1.858 5.055 0.50 0.00 C ATOM 1025 O AARG A 36 -8.930 -2.762 5.953 0.50 0.00 O ATOM 1026 O BARG A 36 -9.089 -2.771 5.864 0.50 0.00 O ATOM 1027 CB AARG A 36 -8.040 -4.505 3.796 0.50 0.00 C ATOM 1028 CB BARG A 36 -8.667 -3.282 3.013 0.50 0.00 C ATOM 1029 CG AARG A 36 -9.429 -4.851 3.285 0.50 0.00 C ATOM 1030 CG BARG A 36 -10.110 -3.120 2.568 0.50 0.00 C ATOM 1031 CD AARG A 36 -9.407 -5.203 1.806 0.50 0.00 C ATOM 1032 CD BARG A 36 -10.876 -4.428 2.675 0.50 0.00 C ATOM 1033 NE AARG A 36 -10.698 -4.961 1.166 0.50 0.00 N ATOM 1034 NE BARG A 36 -12.306 -4.210 2.873 0.50 0.00 N ATOM 1035 CZ AARG A 36 -11.785 -5.684 1.409 0.50 0.00 C ATOM 1036 CZ BARG A 36 -13.232 -5.127 2.616 0.50 0.00 C ATOM 1037 NH1AARG A 36 -11.739 -6.689 2.274 0.50 0.00 N ATOM 1038 NH1BARG A 36 -12.880 -6.319 2.153 0.50 0.00 N ATOM 1039 NH2AARG A 36 -12.923 -5.402 0.789 0.50 0.00 N ATOM 1040 NH2BARG A 36 -14.515 -4.853 2.823 0.50 0.00 N ATOM 0 H AARG A 36 -5.804 -3.589 4.307 0.50 0.00 H new ATOM 0 H BARG A 36 -6.424 -3.219 4.223 0.50 0.00 H new ATOM 0 HA AARG A 36 -7.903 -2.575 2.863 0.50 0.00 H new ATOM 0 HA BARG A 36 -8.224 -1.182 3.148 0.50 0.00 H new ATOM 0 HB2AARG A 36 -7.298 -4.976 3.152 0.50 0.00 H new ATOM 0 HB2BARG A 36 -8.044 -3.465 2.137 0.50 0.00 H new ATOM 0 HB3AARG A 36 -7.913 -4.929 4.792 0.50 0.00 H new ATOM 0 HB3BARG A 36 -8.589 -4.164 3.649 0.50 0.00 H new ATOM 0 HG2AARG A 36 -9.828 -5.691 3.854 0.50 0.00 H new ATOM 0 HG2BARG A 36 -10.597 -2.361 3.180 0.50 0.00 H new ATOM 0 HG3AARG A 36 -10.099 -4.007 3.449 0.50 0.00 H new ATOM 0 HG3BARG A 36 -10.136 -2.765 1.538 0.50 0.00 H new ATOM 0 HD2AARG A 36 -8.638 -4.615 1.305 0.50 0.00 H new ATOM 0 HD2BARG A 36 -10.721 -5.014 1.769 0.50 0.00 H new ATOM 0 HD3AARG A 36 -9.134 -6.252 1.687 0.50 0.00 H new ATOM 0 HD3BARG A 36 -10.480 -5.013 3.505 0.50 0.00 H new ATOM 0 HE AARG A 36 -10.768 -4.195 0.496 0.50 0.00 H new ATOM 0 HE BARG A 36 -12.611 -3.304 3.228 0.50 0.00 H new ATOM 0 HH11AARG A 36 -10.867 -6.908 2.755 0.50 0.00 H new ATOM 0 HH11BARG A 36 -11.896 -6.534 1.993 0.50 0.00 H new ATOM 0 HH12AARG A 36 -12.576 -7.242 2.458 0.50 0.00 H new ATOM 0 HH12BARG A 36 -13.594 -7.021 1.957 0.50 0.00 H new ATOM 0 HH21AARG A 36 -12.964 -4.629 0.125 0.50 0.00 H new ATOM 0 HH21BARG A 36 -14.790 -3.938 3.180 0.50 0.00 H new ATOM 0 HH22AARG A 36 -13.757 -5.958 0.976 0.50 0.00 H new ATOM 0 HH22BARG A 36 -15.225 -5.558 2.625 0.50 0.00 H new ATOM 1067 N APRO A 37 -9.389 -1.253 4.345 0.50 0.00 N ATOM 1068 N BPRO A 37 -9.403 -0.626 5.253 0.50 0.00 N ATOM 1069 CA APRO A 37 -10.360 -0.501 5.144 0.50 0.00 C ATOM 1070 CA BPRO A 37 -10.187 -0.265 6.439 0.50 0.00 C ATOM 1071 C APRO A 37 -11.645 -1.285 5.382 0.50 0.00 C ATOM 1072 C BPRO A 37 -11.563 -0.921 6.445 0.50 0.00 C ATOM 1073 O APRO A 37 -12.316 -1.697 4.435 0.50 0.00 O ATOM 1074 O BPRO A 37 -12.075 -1.322 5.399 0.50 0.00 O ATOM 1075 CB APRO A 37 -10.639 0.738 4.291 0.50 0.00 C ATOM 1076 CB BPRO A 37 -10.319 1.255 6.328 0.50 0.00 C ATOM 1077 CG APRO A 37 -10.339 0.312 2.895 0.50 0.00 C ATOM 1078 CG BPRO A 37 -10.185 1.542 4.870 0.50 0.00 C ATOM 1079 CD APRO A 37 -9.216 -0.682 2.999 0.50 0.00 C ATOM 1080 CD BPRO A 37 -9.232 0.510 4.332 0.50 0.00 C ATOM 0 HA APRO A 37 -9.979 -0.272 6.139 0.50 0.00 H new ATOM 0 HA BPRO A 37 -9.710 -0.598 7.360 0.50 0.00 H new ATOM 0 HB2APRO A 37 -11.674 1.063 4.392 0.50 0.00 H new ATOM 0 HB2BPRO A 37 -11.280 1.598 6.712 0.50 0.00 H new ATOM 0 HB3APRO A 37 -10.011 1.576 4.593 0.50 0.00 H new ATOM 0 HB3BPRO A 37 -9.545 1.763 6.904 0.50 0.00 H new ATOM 0 HG2APRO A 37 -11.215 -0.136 2.427 0.50 0.00 H new ATOM 0 HG2BPRO A 37 -11.151 1.480 4.369 0.50 0.00 H new ATOM 0 HG3APRO A 37 -10.050 1.164 2.280 0.50 0.00 H new ATOM 0 HG3BPRO A 37 -9.804 2.550 4.704 0.50 0.00 H new ATOM 0 HD2APRO A 37 -9.284 -1.447 2.226 0.50 0.00 H new ATOM 0 HD2BPRO A 37 -9.475 0.235 3.306 0.50 0.00 H new ATOM 0 HD3APRO A 37 -8.243 -0.203 2.888 0.50 0.00 H new ATOM 0 HD3BPRO A 37 -8.205 0.874 4.330 0.50 0.00 H new ATOM 1095 N ASER A 38 -11.985 -1.487 6.651 0.50 0.00 N ATOM 1096 N BSER A 38 -12.159 -1.025 7.629 0.50 0.00 N ATOM 1097 CA ASER A 38 -13.190 -2.226 7.012 0.50 0.00 C ATOM 1098 CA BSER A 38 -13.476 -1.634 7.772 0.50 0.00 C ATOM 1099 C ASER A 38 -14.441 -1.423 6.670 0.50 0.00 C ATOM 1100 C BSER A 38 -14.520 -0.589 8.150 0.50 0.00 C ATOM 1101 O ASER A 38 -15.161 -1.747 5.725 0.50 0.00 O ATOM 1102 O BSER A 38 -14.185 0.508 8.594 0.50 0.00 O ATOM 1103 CB ASER A 38 -13.178 -2.564 8.505 0.50 0.00 C ATOM 1104 CB BSER A 38 -13.437 -2.740 8.828 0.50 0.00 C ATOM 1105 OG ASER A 38 -13.063 -1.391 9.291 0.50 0.00 O ATOM 1106 OG BSER A 38 -14.603 -3.543 8.770 0.50 0.00 O ATOM 0 H ASER A 38 -11.443 -1.149 7.447 0.50 0.00 H new ATOM 0 H BSER A 38 -11.750 -0.695 8.503 0.50 0.00 H new ATOM 0 HA ASER A 38 -13.206 -3.152 6.438 0.50 0.00 H new ATOM 0 HA BSER A 38 -13.755 -2.068 6.812 0.50 0.00 H new ATOM 0 HB2ASER A 38 -14.093 -3.094 8.769 0.50 0.00 H new ATOM 0 HB2BSER A 38 -12.555 -3.362 8.675 0.50 0.00 H new ATOM 0 HB3ASER A 38 -12.347 -3.235 8.723 0.50 0.00 H new ATOM 0 HB3BSER A 38 -13.346 -2.297 9.820 0.50 0.00 H new ATOM 0 HG ASER A 38 -13.059 -1.633 10.241 0.50 0.00 H new ATOM 0 HG BSER A 38 -14.552 -4.243 9.454 0.50 0.00 H new ATOM 1117 N AGLY A 39 -14.695 -0.374 7.446 0.50 0.00 N ATOM 1118 N BGLY A 39 -15.790 -0.939 7.972 0.50 0.00 N ATOM 1119 CA AGLY A 39 -15.860 0.459 7.210 0.50 0.00 C ATOM 1120 CA BGLY A 39 -16.867 -0.022 8.300 0.50 0.00 C ATOM 1121 C AGLY A 39 -16.995 0.153 8.168 0.50 0.00 C ATOM 1122 C BGLY A 39 -16.844 0.402 9.754 0.50 0.00 C ATOM 1123 O AGLY A 39 -16.810 0.283 9.376 0.50 0.00 O ATOM 1124 O BGLY A 39 -17.334 1.477 10.103 0.50 0.00 O ATOM 0 H AGLY A 39 -14.115 -0.086 8.234 0.50 0.00 H new ATOM 0 H BGLY A 39 -16.093 -1.842 7.606 0.50 0.00 H new ATOM 0 HA2AGLY A 39 -15.579 1.508 7.308 0.50 0.00 H new ATOM 0 HA2BGLY A 39 -16.794 0.862 7.666 0.50 0.00 H new ATOM 0 HA3AGLY A 39 -16.204 0.315 6.186 0.50 0.00 H new ATOM 0 HA3BGLY A 39 -17.823 -0.495 8.078 0.50 0.00 H new