USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 516 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= 0.913 K(o=-1.7,f=-12!) USER MOD Set 1.2: A 26 ASN B: amide:sc= -0.367 K(o=-1.7,f=-12!) USER MOD Set 1.3: A 27 HIS A:FLIP no HD1:sc= -0.333 F(o=-3.4,f=-1.7) USER MOD Set 1.4: A 29 THR OG1A: rot 53:sc= 0.132 USER MOD Set 1.5: A 29 THR OG1B: rot 180:sc= -2.07 USER MOD Single : A 13 LYS NZ A:NH3+ 131:sc= -0.29 (180deg=-0.557) USER MOD Single : A 13 LYS NZ B:NH3+ -128:sc= -0.402 (180deg=-3.06!) USER MOD Single : A 15 MET CE A:methyl -155:sc= -0.383 (180deg=-1.55!) USER MOD Single : A 15 MET CE B:methyl -155:sc= 0 (180deg=-0.137) 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= 0.0202 X(o=0.02,f=0) USER MOD Single : A 18 ASN B: amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 19 SER OG A: rot 59:sc= 0.0335 USER MOD Single : A 19 SER OG B: rot 180:sc= -0.0277 USER MOD Single : A 23 TYR OH A: rot -106:sc= 1.25 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 HD1:sc= -2.27 X(o=-2.3,f=-2.5) USER MOD Single : A 30 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN B: amide:sc= -0.157 K(o=-0.16,f=-2.3) USER MOD Single : A 32 SER OG A: rot 180:sc= -0.809 USER MOD Single : A 32 SER OG B: rot 180:sc= -0.0144 USER MOD Single : A 33 GLN A: amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 33 GLN B: amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 38 SER OG A: rot 180:sc= 0.13 USER MOD Single : A 38 SER OG B: rot 180:sc= -0.316 USER MOD ----------------------------------------------------------------- ATOM 67 N ALEU A 7 -14.579 -2.901 0.248 0.20 0.00 N ATOM 68 N BLEU A 7 -14.873 -3.164 -0.437 0.80 0.00 N ATOM 69 CA ALEU A 7 -14.453 -1.719 1.094 0.20 0.00 C ATOM 70 CA BLEU A 7 -14.381 -2.091 0.417 0.80 0.00 C ATOM 71 C ALEU A 7 -15.811 -1.061 1.316 0.20 0.00 C ATOM 72 C BLEU A 7 -15.537 -1.260 0.966 0.80 0.00 C ATOM 73 O ALEU A 7 -16.699 -1.110 0.465 0.20 0.00 O ATOM 74 O BLEU A 7 -16.620 -1.196 0.387 0.80 0.00 O ATOM 75 CB ALEU A 7 -13.486 -0.717 0.462 0.20 0.00 C ATOM 76 CB BLEU A 7 -13.417 -1.192 -0.361 0.80 0.00 C ATOM 77 CG ALEU A 7 -12.338 -1.314 -0.352 0.20 0.00 C ATOM 78 CG BLEU A 7 -11.934 -1.345 -0.022 0.80 0.00 C ATOM 79 CD1ALEU A 7 -11.644 -0.235 -1.168 0.20 0.00 C ATOM 80 CD1BLEU A 7 -11.450 -2.744 -0.371 0.80 0.00 C ATOM 81 CD2ALEU A 7 -11.344 -2.017 0.562 0.20 0.00 C ATOM 82 CD2BLEU A 7 -11.110 -0.295 -0.752 0.80 0.00 C ATOM 0 HA ALEU A 7 -14.060 -2.034 2.061 0.20 0.00 H new ATOM 0 HA BLEU A 7 -13.850 -2.542 1.255 0.80 0.00 H new ATOM 0 HB2ALEU A 7 -14.056 -0.051 -0.186 0.20 0.00 H new ATOM 0 HB2BLEU A 7 -13.548 -1.388 -1.425 0.80 0.00 H new ATOM 0 HB3ALEU A 7 -13.061 -0.103 1.256 0.20 0.00 H new ATOM 0 HB3BLEU A 7 -13.703 -0.154 -0.191 0.80 0.00 H new ATOM 0 HG ALEU A 7 -12.752 -2.051 -1.040 0.20 0.00 H new ATOM 0 HG BLEU A 7 -11.807 -1.196 1.050 0.80 0.00 H new ATOM 0 HD11ALEU A 7 -10.830 -0.679 -1.741 0.20 0.00 H new ATOM 0 HD11BLEU A 7 -10.392 -2.835 -0.123 0.80 0.00 H new ATOM 0 HD12ALEU A 7 -12.360 0.222 -1.850 0.20 0.00 H new ATOM 0 HD12BLEU A 7 -12.021 -3.479 0.197 0.80 0.00 H new ATOM 0 HD13ALEU A 7 -11.244 0.526 -0.499 0.20 0.00 H new ATOM 0 HD13BLEU A 7 -11.590 -2.922 -1.437 0.80 0.00 H new ATOM 0 HD21ALEU A 7 -10.534 -2.436 -0.035 0.20 0.00 H new ATOM 0 HD21BLEU A 7 -10.057 -0.419 -0.499 0.80 0.00 H new ATOM 0 HD22ALEU A 7 -10.936 -1.301 1.275 0.20 0.00 H new ATOM 0 HD22BLEU A 7 -11.241 -0.413 -1.828 0.80 0.00 H new ATOM 0 HD23ALEU A 7 -11.849 -2.819 1.101 0.20 0.00 H new ATOM 0 HD23BLEU A 7 -11.441 0.700 -0.453 0.80 0.00 H new ATOM 105 N APRO A 8 -15.977 -0.428 2.488 0.20 0.00 N ATOM 106 N BPRO A 8 -15.301 -0.604 2.113 0.80 0.00 N ATOM 107 CA APRO A 8 -17.223 0.254 2.849 0.20 0.00 C ATOM 108 CA BPRO A 8 -16.310 0.237 2.766 0.80 0.00 C ATOM 109 C APRO A 8 -17.453 1.515 2.024 0.20 0.00 C ATOM 110 C BPRO A 8 -16.595 1.512 1.982 0.80 0.00 C ATOM 111 O APRO A 8 -16.603 1.937 1.240 0.20 0.00 O ATOM 112 O BPRO A 8 -15.826 1.919 1.111 0.80 0.00 O ATOM 113 CB APRO A 8 -17.018 0.610 4.324 0.20 0.00 C ATOM 114 CB BPRO A 8 -15.674 0.570 4.117 0.80 0.00 C ATOM 115 CG APRO A 8 -15.541 0.687 4.492 0.20 0.00 C ATOM 116 CG BPRO A 8 -14.205 0.457 3.883 0.80 0.00 C ATOM 117 CD APRO A 8 -14.961 -0.330 3.550 0.20 0.00 C ATOM 118 CD BPRO A 8 -14.033 -0.634 2.862 0.80 0.00 C ATOM 0 HA APRO A 8 -18.098 -0.370 2.664 0.20 0.00 H new ATOM 0 HA BPRO A 8 -17.272 -0.268 2.846 0.80 0.00 H new ATOM 0 HB2APRO A 8 -17.495 1.558 4.573 0.20 0.00 H new ATOM 0 HB2BPRO A 8 -15.946 1.573 4.446 0.80 0.00 H new ATOM 0 HB3APRO A 8 -17.452 -0.146 4.978 0.20 0.00 H new ATOM 0 HB3BPRO A 8 -16.006 -0.121 4.892 0.80 0.00 H new ATOM 0 HG2APRO A 8 -15.174 1.687 4.260 0.20 0.00 H new ATOM 0 HG2BPRO A 8 -13.794 1.399 3.521 0.80 0.00 H new ATOM 0 HG3APRO A 8 -15.254 0.473 5.522 0.20 0.00 H new ATOM 0 HG3BPRO A 8 -13.680 0.214 4.807 0.80 0.00 H new ATOM 0 HD2APRO A 8 -13.997 -0.009 3.156 0.20 0.00 H new ATOM 0 HD2BPRO A 8 -13.178 -0.445 2.213 0.80 0.00 H new ATOM 0 HD3APRO A 8 -14.801 -1.289 4.043 0.20 0.00 H new ATOM 0 HD3BPRO A 8 -13.868 -1.603 3.333 0.80 0.00 H new ATOM 133 N APRO A 9 -18.631 2.132 2.201 0.20 0.00 N ATOM 134 N BPRO A 9 -17.727 2.160 2.295 0.80 0.00 N ATOM 135 CA APRO A 9 -19.001 3.354 1.481 0.20 0.00 C ATOM 136 CA BPRO A 9 -18.139 3.401 1.631 0.80 0.00 C ATOM 137 C APRO A 9 -18.188 4.562 1.934 0.20 0.00 C ATOM 138 C BPRO A 9 -17.247 4.580 2.001 0.80 0.00 C ATOM 139 O APRO A 9 -18.557 5.248 2.888 0.20 0.00 O ATOM 140 O BPRO A 9 -16.783 4.690 3.135 0.80 0.00 O ATOM 141 CB APRO A 9 -20.478 3.541 1.833 0.20 0.00 C ATOM 142 CB BPRO A 9 -19.562 3.625 2.151 0.80 0.00 C ATOM 143 CG APRO A 9 -20.645 2.846 3.141 0.20 0.00 C ATOM 144 CG BPRO A 9 -19.602 2.920 3.463 0.80 0.00 C ATOM 145 CD APRO A 9 -19.694 1.685 3.117 0.20 0.00 C ATOM 146 CD BPRO A 9 -18.691 1.733 3.322 0.80 0.00 C ATOM 0 HA APRO A 9 -18.812 3.269 0.411 0.20 0.00 H new ATOM 0 HA BPRO A 9 -18.073 3.324 0.546 0.80 0.00 H new ATOM 0 HB2APRO A 9 -20.736 4.597 1.910 0.20 0.00 H new ATOM 0 HB2BPRO A 9 -19.779 4.687 2.266 0.80 0.00 H new ATOM 0 HB3APRO A 9 -21.125 3.109 1.069 0.20 0.00 H new ATOM 0 HB3BPRO A 9 -20.303 3.221 1.462 0.80 0.00 H new ATOM 0 HG2APRO A 9 -20.421 3.517 3.971 0.20 0.00 H new ATOM 0 HG2BPRO A 9 -19.268 3.575 4.268 0.80 0.00 H new ATOM 0 HG3APRO A 9 -21.672 2.506 3.274 0.20 0.00 H new ATOM 0 HG3BPRO A 9 -20.617 2.606 3.707 0.80 0.00 H new ATOM 0 HD2APRO A 9 -19.302 1.466 4.110 0.20 0.00 H new ATOM 0 HD2BPRO A 9 -18.195 1.493 4.263 0.80 0.00 H new ATOM 0 HD3APRO A 9 -20.178 0.777 2.758 0.20 0.00 H new ATOM 0 HD3BPRO A 9 -19.238 0.842 3.014 0.80 0.00 H new ATOM 161 N AGLY A 10 -17.080 4.817 1.245 0.20 0.00 N ATOM 162 N BGLY A 10 -17.009 5.463 1.034 0.80 0.00 N ATOM 163 CA AGLY A 10 -16.233 5.944 1.593 0.20 0.00 C ATOM 164 CA BGLY A 10 -16.172 6.624 1.279 0.80 0.00 C ATOM 165 C AGLY A 10 -14.783 5.718 1.210 0.20 0.00 C ATOM 166 C BGLY A 10 -14.722 6.378 0.913 0.80 0.00 C ATOM 167 O AGLY A 10 -13.998 6.664 1.144 0.20 0.00 O ATOM 168 O BGLY A 10 -14.011 7.299 0.510 0.80 0.00 O ATOM 0 H AGLY A 10 -16.754 4.264 0.453 0.20 0.00 H new ATOM 0 H BGLY A 10 -17.381 5.395 0.087 0.80 0.00 H new ATOM 0 HA2AGLY A 10 -16.602 6.840 1.094 0.20 0.00 H new ATOM 0 HA2BGLY A 10 -16.551 7.469 0.704 0.80 0.00 H new ATOM 0 HA3AGLY A 10 -16.298 6.126 2.666 0.20 0.00 H new ATOM 0 HA3BGLY A 10 -16.237 6.900 2.332 0.80 0.00 H new ATOM 175 N ATRP A 11 -14.427 4.463 0.960 0.20 0.00 N ATOM 176 N BTRP A 11 -14.280 5.134 1.057 0.80 0.00 N ATOM 177 CA ATRP A 11 -13.061 4.117 0.584 0.20 0.00 C ATOM 178 CA BTRP A 11 -12.901 4.771 0.741 0.80 0.00 C ATOM 179 C ATRP A 11 -12.992 3.686 -0.877 0.20 0.00 C ATOM 180 C BTRP A 11 -12.760 4.405 -0.731 0.80 0.00 C ATOM 181 O ATRP A 11 -13.714 2.786 -1.302 0.20 0.00 O ATOM 182 O BTRP A 11 -13.674 3.839 -1.330 0.80 0.00 O ATOM 183 CB ATRP A 11 -12.531 3.000 1.485 0.20 0.00 C ATOM 184 CB BTRP A 11 -12.446 3.604 1.618 0.80 0.00 C ATOM 185 CG ATRP A 11 -12.121 3.477 2.845 0.20 0.00 C ATOM 186 CG BTRP A 11 -12.475 3.914 3.083 0.80 0.00 C ATOM 187 CD1ATRP A 11 -12.871 3.442 3.985 0.20 0.00 C ATOM 188 CD1BTRP A 11 -13.559 3.866 3.911 0.80 0.00 C ATOM 189 CD2ATRP A 11 -10.865 4.062 3.207 0.20 0.00 C ATOM 190 CD2BTRP A 11 -11.366 4.323 3.893 0.80 0.00 C ATOM 191 NE1ATRP A 11 -12.157 3.971 5.035 0.20 0.00 N ATOM 192 NE1BTRP A 11 -13.193 4.220 5.187 0.80 0.00 N ATOM 193 CE2ATRP A 11 -10.924 4.356 4.581 0.20 0.00 C ATOM 194 CE2BTRP A 11 -11.852 4.503 5.202 0.80 0.00 C ATOM 195 CE3ATRP A 11 -9.697 4.363 2.501 0.20 0.00 C ATOM 196 CE3BTRP A 11 -10.011 4.551 3.640 0.80 0.00 C ATOM 197 CZ2ATRP A 11 -9.858 4.940 5.264 0.20 0.00 C ATOM 198 CZ2BTRP A 11 -11.030 4.903 6.253 0.80 0.00 C ATOM 199 CZ3ATRP A 11 -8.641 4.942 3.179 0.20 0.00 C ATOM 200 CZ3BTRP A 11 -9.196 4.947 4.684 0.80 0.00 C ATOM 201 CH2ATRP A 11 -8.727 5.224 4.548 0.20 0.00 C ATOM 202 CH2BTRP A 11 -9.708 5.120 5.976 0.80 0.00 C ATOM 0 H ATRP A 11 -15.065 3.669 1.011 0.20 0.00 H new ATOM 0 H BTRP A 11 -14.855 4.360 1.390 0.80 0.00 H new ATOM 0 HA ATRP A 11 -12.439 5.003 0.711 0.20 0.00 H new ATOM 0 HA BTRP A 11 -12.267 5.635 0.943 0.80 0.00 H new ATOM 0 HB2ATRP A 11 -13.300 2.235 1.593 0.20 0.00 H new ATOM 0 HB2BTRP A 11 -13.085 2.743 1.424 0.80 0.00 H new ATOM 0 HB3ATRP A 11 -11.676 2.527 1.001 0.20 0.00 H new ATOM 0 HB3BTRP A 11 -11.433 3.320 1.334 0.80 0.00 H new ATOM 0 HD1ATRP A 11 -13.877 3.056 4.053 0.20 0.00 H new ATOM 0 HD1BTRP A 11 -14.558 3.590 3.608 0.80 0.00 H new ATOM 0 HE1ATRP A 11 -12.491 4.062 5.994 0.20 0.00 H new ATOM 0 HE1BTRP A 11 -13.818 4.265 5.992 0.80 0.00 H new ATOM 0 HE3ATRP A 11 -9.621 4.147 1.446 0.20 0.00 H new ATOM 0 HE3BTRP A 11 -9.608 4.420 2.647 0.80 0.00 H new ATOM 0 HZ2ATRP A 11 -9.923 5.160 6.319 0.20 0.00 H new ATOM 0 HZ2BTRP A 11 -11.422 5.037 7.250 0.80 0.00 H new ATOM 0 HZ3ATRP A 11 -7.734 5.181 2.644 0.20 0.00 H new ATOM 0 HZ3BTRP A 11 -8.147 5.126 4.500 0.80 0.00 H new ATOM 0 HH2ATRP A 11 -7.883 5.675 5.049 0.20 0.00 H new ATOM 0 HH2BTRP A 11 -9.045 5.431 6.770 0.80 0.00 H new ATOM 223 N AGLU A 12 -12.117 4.335 -1.639 0.20 0.00 N ATOM 224 N BGLU A 12 -11.608 4.729 -1.310 0.80 0.00 N ATOM 225 CA AGLU A 12 -11.955 4.018 -3.052 0.20 0.00 C ATOM 226 CA BGLU A 12 -11.348 4.433 -2.714 0.80 0.00 C ATOM 227 C AGLU A 12 -10.573 3.427 -3.323 0.20 0.00 C ATOM 228 C BGLU A 12 -9.985 3.771 -2.887 0.80 0.00 C ATOM 229 O AGLU A 12 -9.612 3.714 -2.609 0.20 0.00 O ATOM 230 O BGLU A 12 -9.035 4.079 -2.164 0.80 0.00 O ATOM 231 CB AGLU A 12 -12.160 5.270 -3.906 0.20 0.00 C ATOM 232 CB BGLU A 12 -11.415 5.713 -3.548 0.80 0.00 C ATOM 233 CG AGLU A 12 -10.868 5.981 -4.269 0.20 0.00 C ATOM 234 CG BGLU A 12 -12.309 5.595 -4.773 0.80 0.00 C ATOM 235 CD AGLU A 12 -10.285 5.498 -5.583 0.20 0.00 C ATOM 236 CD BGLU A 12 -12.150 4.266 -5.485 0.80 0.00 C ATOM 237 OE1AGLU A 12 -9.230 6.025 -5.993 0.20 0.00 O ATOM 238 OE1BGLU A 12 -13.091 3.446 -5.426 0.80 0.00 O ATOM 239 OE2AGLU A 12 -10.884 4.593 -6.202 0.20 0.00 O ATOM 240 OE2BGLU A 12 -11.087 4.043 -6.101 0.80 0.00 O ATOM 0 H AGLU A 12 -11.510 5.082 -1.301 0.20 0.00 H new ATOM 0 H BGLU A 12 -10.840 5.197 -0.828 0.80 0.00 H new ATOM 0 HA AGLU A 12 -12.708 3.277 -3.319 0.20 0.00 H new ATOM 0 HA BGLU A 12 -12.115 3.741 -3.061 0.80 0.00 H new ATOM 0 HB2AGLU A 12 -12.681 4.992 -4.822 0.20 0.00 H new ATOM 0 HB2BGLU A 12 -11.778 6.527 -2.921 0.80 0.00 H new ATOM 0 HB3AGLU A 12 -12.807 5.963 -3.369 0.20 0.00 H new ATOM 0 HB3BGLU A 12 -10.408 5.982 -3.868 0.80 0.00 H new ATOM 0 HG2AGLU A 12 -11.053 7.053 -4.330 0.20 0.00 H new ATOM 0 HG2BGLU A 12 -13.349 5.720 -4.472 0.80 0.00 H new ATOM 0 HG3AGLU A 12 -10.138 5.828 -3.474 0.20 0.00 H new ATOM 0 HG3BGLU A 12 -12.078 6.404 -5.466 0.80 0.00 H new ATOM 253 N ALYS A 13 -10.482 2.599 -4.358 0.20 0.00 N ATOM 254 N BLYS A 13 -9.893 2.860 -3.848 0.80 0.00 N ATOM 255 CA ALYS A 13 -9.220 1.968 -4.725 0.20 0.00 C ATOM 256 CA BLYS A 13 -8.646 2.152 -4.119 0.80 0.00 C ATOM 257 C ALYS A 13 -8.284 2.970 -5.392 0.20 0.00 C ATOM 258 C BLYS A 13 -7.831 2.878 -5.185 0.80 0.00 C ATOM 259 O ALYS A 13 -8.575 3.477 -6.475 0.20 0.00 O ATOM 260 O BLYS A 13 -8.283 3.044 -6.318 0.80 0.00 O ATOM 261 CB ALYS A 13 -9.472 0.784 -5.663 0.20 0.00 C ATOM 262 CB BLYS A 13 -8.936 0.719 -4.569 0.80 0.00 C ATOM 263 CG ALYS A 13 -8.385 -0.274 -5.612 0.20 0.00 C ATOM 264 CG BLYS A 13 -7.691 -0.061 -4.954 0.80 0.00 C ATOM 265 CD ALYS A 13 -8.955 -1.670 -5.801 0.20 0.00 C ATOM 266 CD BLYS A 13 -8.043 -1.371 -5.638 0.80 0.00 C ATOM 267 CE ALYS A 13 -8.709 -2.542 -4.579 0.20 0.00 C ATOM 268 CE BLYS A 13 -8.155 -2.510 -4.635 0.80 0.00 C ATOM 269 NZ ALYS A 13 -9.294 -1.949 -3.346 0.20 0.00 N ATOM 270 NZ BLYS A 13 -6.900 -3.304 -4.556 0.80 0.00 N ATOM 0 H ALYS A 13 -11.268 2.349 -4.958 0.20 0.00 H new ATOM 0 H BLYS A 13 -10.668 2.593 -4.454 0.80 0.00 H new ATOM 0 HA ALYS A 13 -8.745 1.606 -3.813 0.20 0.00 H new ATOM 0 HA BLYS A 13 -8.064 2.124 -3.198 0.80 0.00 H new ATOM 0 HB2ALYS A 13 -10.427 0.325 -5.406 0.20 0.00 H new ATOM 0 HB2BLYS A 13 -9.451 0.192 -3.766 0.80 0.00 H new ATOM 0 HB3ALYS A 13 -9.560 1.153 -6.685 0.20 0.00 H new ATOM 0 HB3BLYS A 13 -9.616 0.745 -5.420 0.80 0.00 H new ATOM 0 HG2ALYS A 13 -7.645 -0.074 -6.387 0.20 0.00 H new ATOM 0 HG2BLYS A 13 -7.073 0.543 -5.619 0.80 0.00 H new ATOM 0 HG3ALYS A 13 -7.867 -0.218 -4.655 0.20 0.00 H new ATOM 0 HG3BLYS A 13 -7.097 -0.263 -4.063 0.80 0.00 H new ATOM 0 HD2ALYS A 13 -10.026 -1.604 -5.993 0.20 0.00 H new ATOM 0 HD2BLYS A 13 -8.986 -1.262 -6.173 0.80 0.00 H new ATOM 0 HD3ALYS A 13 -8.502 -2.134 -6.677 0.20 0.00 H new ATOM 0 HD3BLYS A 13 -7.282 -1.612 -6.380 0.80 0.00 H new ATOM 0 HE2ALYS A 13 -9.139 -3.530 -4.746 0.20 0.00 H new ATOM 0 HE2BLYS A 13 -8.391 -2.105 -3.651 0.80 0.00 H new ATOM 0 HE3ALYS A 13 -7.637 -2.680 -4.442 0.20 0.00 H new ATOM 0 HE3BLYS A 13 -8.981 -3.163 -4.918 0.80 0.00 H new ATOM 0 HZ1ALYS A 13 -9.851 -2.670 -2.844 0.20 0.00 H new ATOM 0 HZ1BLYS A 13 -7.119 -4.313 -4.680 0.80 0.00 H new ATOM 0 HZ2ALYS A 13 -8.530 -1.610 -2.728 0.20 0.00 H new ATOM 0 HZ2BLYS A 13 -6.247 -2.997 -5.305 0.80 0.00 H new ATOM 0 HZ3ALYS A 13 -9.911 -1.152 -3.603 0.20 0.00 H new ATOM 0 HZ3BLYS A 13 -6.455 -3.158 -3.627 0.80 0.00 H new ATOM 297 N AARG A 14 -7.161 3.248 -4.740 0.20 0.00 N ATOM 298 N BARG A 14 -6.628 3.305 -4.815 0.80 0.00 N ATOM 299 CA AARG A 14 -6.181 4.190 -5.270 0.20 0.00 C ATOM 300 CA BARG A 14 -5.749 4.011 -5.739 0.80 0.00 C ATOM 301 C AARG A 14 -4.821 3.522 -5.437 0.20 0.00 C ATOM 302 C BARG A 14 -4.403 3.304 -5.856 0.80 0.00 C ATOM 303 O AARG A 14 -4.522 2.524 -4.780 0.20 0.00 O ATOM 304 O BARG A 14 -4.088 2.414 -5.067 0.80 0.00 O ATOM 305 CB AARG A 14 -6.057 5.403 -4.347 0.20 0.00 C ATOM 306 CB BARG A 14 -5.541 5.454 -5.275 0.80 0.00 C ATOM 307 CG AARG A 14 -6.640 6.679 -4.936 0.20 0.00 C ATOM 308 CG BARG A 14 -6.836 6.230 -5.096 0.80 0.00 C ATOM 309 CD AARG A 14 -5.698 7.857 -4.757 0.20 0.00 C ATOM 310 CD BARG A 14 -7.055 7.217 -6.233 0.80 0.00 C ATOM 311 NE AARG A 14 -5.156 8.322 -6.032 0.20 0.00 N ATOM 312 NE BARG A 14 -5.953 8.169 -6.350 0.80 0.00 N ATOM 313 CZ AARG A 14 -5.813 9.124 -6.861 0.20 0.00 C ATOM 314 CZ BARG A 14 -5.985 9.237 -7.139 0.80 0.00 C ATOM 315 NH1AARG A 14 -7.031 9.550 -6.552 0.20 0.00 N ATOM 316 NH1BARG A 14 -7.058 9.488 -7.877 0.80 0.00 N ATOM 317 NH2AARG A 14 -5.255 9.504 -8.003 0.20 0.00 N ATOM 318 NH2BARG A 14 -4.943 10.055 -7.192 0.80 0.00 N ATOM 0 H AARG A 14 -6.906 2.835 -3.843 0.20 0.00 H new ATOM 0 H BARG A 14 -6.240 3.174 -3.881 0.80 0.00 H new ATOM 0 HA AARG A 14 -6.526 4.522 -6.249 0.20 0.00 H new ATOM 0 HA BARG A 14 -6.223 4.016 -6.720 0.80 0.00 H new ATOM 0 HB2AARG A 14 -6.560 5.185 -3.405 0.20 0.00 H new ATOM 0 HB2BARG A 14 -4.998 5.448 -4.330 0.80 0.00 H new ATOM 0 HB3AARG A 14 -5.004 5.567 -4.116 0.20 0.00 H new ATOM 0 HB3BARG A 14 -4.914 5.973 -6.000 0.80 0.00 H new ATOM 0 HG2AARG A 14 -6.842 6.532 -5.997 0.20 0.00 H new ATOM 0 HG2BARG A 14 -7.674 5.535 -5.049 0.80 0.00 H new ATOM 0 HG3AARG A 14 -7.594 6.899 -4.457 0.20 0.00 H new ATOM 0 HG3BARG A 14 -6.812 6.766 -4.147 0.80 0.00 H new ATOM 0 HD2AARG A 14 -6.228 8.675 -4.269 0.20 0.00 H new ATOM 0 HD2BARG A 14 -7.164 6.672 -7.171 0.80 0.00 H new ATOM 0 HD3AARG A 14 -4.879 7.570 -4.098 0.20 0.00 H new ATOM 0 HD3BARG A 14 -7.986 7.759 -6.069 0.80 0.00 H new ATOM 0 HE AARG A 14 -4.221 8.013 -6.300 0.20 0.00 H new ATOM 0 HE BARG A 14 -5.113 8.004 -5.795 0.80 0.00 H new ATOM 0 HH11AARG A 14 -7.465 9.261 -5.675 0.20 0.00 H new ATOM 0 HH11BARG A 14 -7.861 8.860 -7.839 0.80 0.00 H new ATOM 0 HH12AARG A 14 -7.533 10.166 -7.191 0.20 0.00 H new ATOM 0 HH12BARG A 14 -7.080 10.309 -8.482 0.80 0.00 H new ATOM 0 HH21AARG A 14 -4.319 9.180 -8.246 0.20 0.00 H new ATOM 0 HH21BARG A 14 -4.116 9.864 -6.627 0.80 0.00 H new ATOM 0 HH22AARG A 14 -5.762 10.120 -8.638 0.20 0.00 H new ATOM 0 HH22BARG A 14 -4.969 10.875 -7.798 0.80 0.00 H new ATOM 345 N AMET A 15 -3.997 4.079 -6.321 0.20 0.00 N ATOM 346 N BMET A 15 -3.614 3.706 -6.847 0.80 0.00 N ATOM 347 CA AMET A 15 -2.667 3.537 -6.573 0.20 0.00 C ATOM 348 CA BMET A 15 -2.301 3.111 -7.068 0.80 0.00 C ATOM 349 C AMET A 15 -1.596 4.606 -6.364 0.20 0.00 C ATOM 350 C BMET A 15 -1.241 4.189 -7.262 0.80 0.00 C ATOM 351 O AMET A 15 -1.897 5.725 -5.950 0.20 0.00 O ATOM 352 O BMET A 15 -1.433 5.131 -8.030 0.80 0.00 O ATOM 353 CB AMET A 15 -2.580 2.983 -7.996 0.20 0.00 C ATOM 354 CB BMET A 15 -2.335 2.188 -8.288 0.80 0.00 C ATOM 355 CG AMET A 15 -1.781 1.694 -8.099 0.20 0.00 C ATOM 356 CG BMET A 15 -0.962 1.691 -8.712 0.80 0.00 C ATOM 357 SD AMET A 15 -0.437 1.800 -9.295 0.20 0.00 S ATOM 358 SD BMET A 15 -1.040 0.156 -9.656 0.80 0.00 S ATOM 359 CE AMET A 15 -0.305 0.090 -9.809 0.20 0.00 C ATOM 360 CE BMET A 15 0.699 -0.140 -9.965 0.80 0.00 C ATOM 0 H AMET A 15 -4.228 4.905 -6.874 0.20 0.00 H new ATOM 0 H BMET A 15 -3.861 4.441 -7.510 0.80 0.00 H new ATOM 0 HA AMET A 15 -2.491 2.727 -5.865 0.20 0.00 H new ATOM 0 HA BMET A 15 -2.042 2.526 -6.185 0.80 0.00 H new ATOM 0 HB2AMET A 15 -3.588 2.807 -8.371 0.20 0.00 H new ATOM 0 HB2BMET A 15 -2.971 1.330 -8.067 0.80 0.00 H new ATOM 0 HB3AMET A 15 -2.127 3.734 -8.642 0.20 0.00 H new ATOM 0 HB3BMET A 15 -2.794 2.719 -9.122 0.80 0.00 H new ATOM 0 HG2AMET A 15 -1.371 1.446 -7.120 0.20 0.00 H new ATOM 0 HG2BMET A 15 -0.472 2.458 -9.312 0.80 0.00 H new ATOM 0 HG3AMET A 15 -2.448 0.880 -8.380 0.20 0.00 H new ATOM 0 HG3BMET A 15 -0.346 1.537 -7.826 0.80 0.00 H new ATOM 0 HE1AMET A 15 0.704 -0.103 -10.174 0.20 0.00 H new ATOM 0 HE1BMET A 15 0.811 -0.749 -10.862 0.80 0.00 H new ATOM 0 HE2AMET A 15 -0.515 -0.562 -8.961 0.20 0.00 H new ATOM 0 HE2BMET A 15 1.210 0.812 -10.107 0.80 0.00 H new ATOM 0 HE3AMET A 15 -1.023 -0.107 -10.605 0.20 0.00 H new ATOM 0 HE3BMET A 15 1.136 -0.663 -9.114 0.80 0.00 H new ATOM 379 N ASER A 16 -0.349 4.251 -6.654 0.20 0.00 N ATOM 380 N BSER A 16 -0.122 4.045 -6.559 0.80 0.00 N ATOM 381 CA ASER A 16 0.765 5.175 -6.492 0.20 0.00 C ATOM 382 CA BSER A 16 0.968 5.010 -6.651 0.80 0.00 C ATOM 383 C ASER A 16 1.330 5.586 -7.850 0.20 0.00 C ATOM 384 C BSER A 16 1.467 5.133 -8.088 0.80 0.00 C ATOM 385 O ASER A 16 0.977 5.012 -8.880 0.20 0.00 O ATOM 386 O BSER A 16 1.077 4.355 -8.960 0.80 0.00 O ATOM 387 CB ASER A 16 1.864 4.542 -5.638 0.20 0.00 C ATOM 388 CB BSER A 16 2.119 4.598 -5.733 0.80 0.00 C ATOM 389 OG ASER A 16 2.459 5.499 -4.780 0.20 0.00 O ATOM 390 OG BSER A 16 2.711 5.731 -5.118 0.80 0.00 O ATOM 0 H ASER A 16 -0.085 3.329 -7.003 0.20 0.00 H new ATOM 0 H BSER A 16 0.054 3.270 -5.920 0.80 0.00 H new ATOM 0 HA ASER A 16 0.394 6.067 -5.986 0.20 0.00 H new ATOM 0 HA BSER A 16 0.588 5.981 -6.333 0.80 0.00 H new ATOM 0 HB2ASER A 16 1.445 3.729 -5.045 0.20 0.00 H new ATOM 0 HB2BSER A 16 1.751 3.915 -4.967 0.80 0.00 H new ATOM 0 HB3ASER A 16 2.625 4.106 -6.285 0.20 0.00 H new ATOM 0 HB3BSER A 16 2.871 4.057 -6.308 0.80 0.00 H new ATOM 0 HG ASER A 16 3.157 5.068 -4.244 0.20 0.00 H new ATOM 0 HG BSER A 16 3.443 5.441 -4.535 0.80 0.00 H new ATOM 401 N AARG A 17 2.214 6.579 -7.840 0.20 0.00 N ATOM 402 N BARG A 17 2.329 6.116 -8.327 0.80 0.00 N ATOM 403 CA AARG A 17 2.827 7.065 -9.069 0.20 0.00 C ATOM 404 CA BARG A 17 2.879 6.341 -9.658 0.80 0.00 C ATOM 405 C AARG A 17 4.339 6.851 -9.044 0.20 0.00 C ATOM 406 C BARG A 17 4.397 6.192 -9.650 0.80 0.00 C ATOM 407 O AARG A 17 4.955 6.582 -10.074 0.20 0.00 O ATOM 408 O BARG A 17 5.004 5.859 -10.669 0.80 0.00 O ATOM 409 CB AARG A 17 2.518 8.549 -9.268 0.20 0.00 C ATOM 410 CB BARG A 17 2.496 7.734 -10.163 0.80 0.00 C ATOM 411 CG AARG A 17 3.301 9.191 -10.401 0.20 0.00 C ATOM 412 CG BARG A 17 3.211 8.135 -11.441 0.80 0.00 C ATOM 413 CD AARG A 17 2.990 10.675 -10.524 0.20 0.00 C ATOM 414 CD BARG A 17 2.851 9.553 -11.859 0.80 0.00 C ATOM 415 NE AARG A 17 1.554 10.938 -10.486 0.20 0.00 N ATOM 416 NE BARG A 17 1.410 9.789 -11.808 0.80 0.00 N ATOM 417 CZ AARG A 17 0.732 10.679 -11.498 0.20 0.00 C ATOM 418 CZ BARG A 17 0.864 10.999 -11.806 0.80 0.00 C ATOM 419 NH1AARG A 17 1.204 10.151 -12.620 0.20 0.00 N ATOM 420 NH1BARG A 17 1.632 12.078 -11.852 0.80 0.00 N ATOM 421 NH2AARG A 17 -0.562 10.948 -11.386 0.20 0.00 N ATOM 422 NH2BARG A 17 -0.457 11.133 -11.758 0.80 0.00 N ATOM 0 H AARG A 17 2.521 7.061 -6.995 0.20 0.00 H new ATOM 0 H BARG A 17 2.661 6.769 -7.617 0.80 0.00 H new ATOM 0 HA AARG A 17 2.409 6.499 -9.901 0.20 0.00 H new ATOM 0 HA BARG A 17 2.460 5.591 -10.329 0.80 0.00 H new ATOM 0 HB2AARG A 17 1.452 8.666 -9.463 0.20 0.00 H new ATOM 0 HB2BARG A 17 1.420 7.766 -10.333 0.80 0.00 H new ATOM 0 HB3AARG A 17 2.733 9.083 -8.342 0.20 0.00 H new ATOM 0 HB3BARG A 17 2.718 8.466 -9.387 0.80 0.00 H new ATOM 0 HG2AARG A 17 4.369 9.055 -10.229 0.20 0.00 H new ATOM 0 HG2BARG A 17 4.289 8.060 -11.295 0.80 0.00 H new ATOM 0 HG3AARG A 17 3.063 8.689 -11.339 0.20 0.00 H new ATOM 0 HG3BARG A 17 2.948 7.441 -12.239 0.80 0.00 H new ATOM 0 HD2AARG A 17 3.479 11.216 -9.714 0.20 0.00 H new ATOM 0 HD2BARG A 17 3.358 10.263 -11.206 0.80 0.00 H new ATOM 0 HD3AARG A 17 3.404 11.056 -11.458 0.20 0.00 H new ATOM 0 HD3BARG A 17 3.213 9.736 -12.871 0.80 0.00 H new ATOM 0 HE AARG A 17 1.160 11.343 -9.636 0.20 0.00 H new ATOM 0 HE BARG A 17 0.790 8.980 -11.772 0.80 0.00 H new ATOM 0 HH11AARG A 17 2.199 9.943 -12.707 0.20 0.00 H new ATOM 0 HH11BARG A 17 2.647 11.981 -11.889 0.80 0.00 H new ATOM 0 HH12AARG A 17 0.572 9.953 -13.396 0.20 0.00 H new ATOM 0 HH12BARG A 17 1.208 13.006 -11.850 0.80 0.00 H new ATOM 0 HH21AARG A 17 -0.926 11.353 -10.524 0.20 0.00 H new ATOM 0 HH21BARG A 17 -1.053 10.306 -11.723 0.80 0.00 H new ATOM 0 HH22AARG A 17 -1.193 10.749 -12.162 0.20 0.00 H new ATOM 0 HH22BARG A 17 -0.876 12.063 -11.756 0.80 0.00 H new ATOM 449 N AASN A 18 4.928 6.971 -7.859 0.20 0.00 N ATOM 450 N BASN A 18 5.006 6.438 -8.495 0.80 0.00 N ATOM 451 CA AASN A 18 6.366 6.790 -7.699 0.20 0.00 C ATOM 452 CA BASN A 18 6.454 6.332 -8.354 0.80 0.00 C ATOM 453 C AASN A 18 6.670 5.558 -6.852 0.20 0.00 C ATOM 454 C BASN A 18 6.880 4.875 -8.189 0.80 0.00 C ATOM 455 O AASN A 18 7.393 5.637 -5.859 0.20 0.00 O ATOM 456 O BASN A 18 7.773 4.396 -8.886 0.80 0.00 O ATOM 457 CB AASN A 18 6.989 8.032 -7.056 0.20 0.00 C ATOM 458 CB BASN A 18 6.933 7.154 -7.156 0.80 0.00 C ATOM 459 CG AASN A 18 8.412 8.275 -7.524 0.20 0.00 C ATOM 460 CG BASN A 18 8.440 7.325 -7.139 0.80 0.00 C ATOM 461 OD1AASN A 18 8.732 9.345 -8.040 0.20 0.00 O ATOM 462 OD1BASN A 18 9.111 6.908 -6.195 0.80 0.00 O ATOM 463 ND2AASN A 18 9.271 7.278 -7.348 0.20 0.00 N ATOM 464 ND2BASN A 18 8.977 7.941 -8.183 0.80 0.00 N ATOM 0 H AASN A 18 4.432 7.193 -6.996 0.20 0.00 H new ATOM 0 H BASN A 18 4.519 6.712 -7.642 0.80 0.00 H new ATOM 0 HA AASN A 18 6.800 6.644 -8.688 0.20 0.00 H new ATOM 0 HA BASN A 18 6.912 6.725 -9.262 0.80 0.00 H new ATOM 0 HB2AASN A 18 6.379 8.904 -7.291 0.20 0.00 H new ATOM 0 HB2BASN A 18 6.459 8.135 -7.179 0.80 0.00 H new ATOM 0 HB3AASN A 18 6.980 7.919 -5.972 0.20 0.00 H new ATOM 0 HB3BASN A 18 6.615 6.667 -6.234 0.80 0.00 H new ATOM 0 HD21AASN A 18 10.241 7.382 -7.646 0.20 0.00 H new ATOM 0 HD21BASN A 18 9.986 8.086 -8.226 0.80 0.00 H new ATOM 0 HD22AASN A 18 8.961 6.408 -6.915 0.20 0.00 H new ATOM 0 HD22BASN A 18 8.381 8.270 -8.943 0.80 0.00 H new ATOM 477 N ASER A 19 6.113 4.420 -7.252 0.20 0.00 N ATOM 478 N BSER A 19 6.231 4.178 -7.261 0.80 0.00 N ATOM 479 CA ASER A 19 6.320 3.171 -6.528 0.20 0.00 C ATOM 480 CA BSER A 19 6.544 2.779 -7.000 0.80 0.00 C ATOM 481 C ASER A 19 5.671 2.002 -7.263 0.20 0.00 C ATOM 482 C BSER A 19 5.481 1.863 -7.602 0.80 0.00 C ATOM 483 O ASER A 19 6.354 1.086 -7.721 0.20 0.00 O ATOM 484 O BSER A 19 5.759 1.090 -8.517 0.80 0.00 O ATOM 485 CB ASER A 19 5.751 3.277 -5.111 0.20 0.00 C ATOM 486 CB BSER A 19 6.653 2.529 -5.495 0.80 0.00 C ATOM 487 OG ASER A 19 6.783 3.219 -4.143 0.20 0.00 O ATOM 488 OG BSER A 19 5.459 2.902 -4.829 0.80 0.00 O ATOM 0 H ASER A 19 5.515 4.337 -8.074 0.20 0.00 H new ATOM 0 H BSER A 19 5.486 4.560 -6.678 0.80 0.00 H new ATOM 0 HA ASER A 19 7.393 2.989 -6.468 0.20 0.00 H new ATOM 0 HA BSER A 19 7.502 2.555 -7.469 0.80 0.00 H new ATOM 0 HB2ASER A 19 5.201 4.212 -5.005 0.20 0.00 H new ATOM 0 HB2BSER A 19 6.861 1.475 -5.312 0.80 0.00 H new ATOM 0 HB3ASER A 19 5.041 2.468 -4.939 0.20 0.00 H new ATOM 0 HB3BSER A 19 7.492 3.094 -5.089 0.80 0.00 H new ATOM 0 HG ASER A 19 7.416 3.952 -4.295 0.20 0.00 H new ATOM 0 HG BSER A 19 5.553 2.731 -3.869 0.80 0.00 H new ATOM 499 N AGLY A 20 4.346 2.043 -7.372 0.20 0.00 N ATOM 500 N BGLY A 20 4.262 1.958 -7.079 0.80 0.00 N ATOM 501 CA AGLY A 20 3.626 0.983 -8.054 0.20 0.00 C ATOM 502 CA BGLY A 20 3.175 1.135 -7.576 0.80 0.00 C ATOM 503 C AGLY A 20 2.631 0.285 -7.148 0.20 0.00 C ATOM 504 C BGLY A 20 2.487 0.357 -6.473 0.80 0.00 C ATOM 505 O AGLY A 20 1.583 -0.175 -7.603 0.20 0.00 O ATOM 506 O BGLY A 20 1.980 -0.742 -6.701 0.80 0.00 O ATOM 0 H AGLY A 20 3.759 2.790 -7.001 0.20 0.00 H new ATOM 0 H BGLY A 20 4.008 2.590 -6.320 0.80 0.00 H new ATOM 0 HA2AGLY A 20 3.101 1.399 -8.914 0.20 0.00 H new ATOM 0 HA2BGLY A 20 2.445 1.768 -8.080 0.80 0.00 H new ATOM 0 HA3AGLY A 20 4.338 0.253 -8.438 0.20 0.00 H new ATOM 0 HA3BGLY A 20 3.561 0.439 -8.321 0.80 0.00 H new ATOM 513 N AARG A 21 2.956 0.207 -5.861 0.20 0.00 N ATOM 514 N BARG A 21 2.469 0.925 -5.271 0.80 0.00 N ATOM 515 CA AARG A 21 2.083 -0.444 -4.891 0.20 0.00 C ATOM 516 CA BARG A 21 1.841 0.276 -4.128 0.80 0.00 C ATOM 517 C AARG A 21 0.691 0.181 -4.909 0.20 0.00 C ATOM 518 C BARG A 21 0.379 0.697 -3.999 0.80 0.00 C ATOM 519 O AARG A 21 0.427 1.114 -5.668 0.20 0.00 O ATOM 520 O BARG A 21 0.068 1.887 -3.936 0.80 0.00 O ATOM 521 CB AARG A 21 2.682 -0.339 -3.487 0.20 0.00 C ATOM 522 CB BARG A 21 2.594 0.617 -2.841 0.80 0.00 C ATOM 523 CG AARG A 21 4.120 -0.823 -3.399 0.20 0.00 C ATOM 524 CG BARG A 21 3.513 -0.495 -2.360 0.80 0.00 C ATOM 525 CD AARG A 21 4.658 -0.715 -1.981 0.20 0.00 C ATOM 526 CD BARG A 21 4.749 0.061 -1.673 0.80 0.00 C ATOM 527 NE AARG A 21 4.372 0.586 -1.384 0.20 0.00 N ATOM 528 NE BARG A 21 4.416 1.111 -0.712 0.80 0.00 N ATOM 529 CZ AARG A 21 4.415 0.821 -0.078 0.20 0.00 C ATOM 530 CZ BARG A 21 3.803 0.880 0.444 0.80 0.00 C ATOM 531 NH1AARG A 21 4.733 -0.153 0.765 0.20 0.00 N ATOM 532 NH1BARG A 21 3.458 -0.353 0.780 0.80 0.00 N ATOM 533 NH2AARG A 21 4.141 2.032 0.391 0.20 0.00 N ATOM 534 NH2BARG A 21 3.533 1.888 1.264 0.80 0.00 N ATOM 0 H AARG A 21 3.817 0.586 -5.466 0.20 0.00 H new ATOM 0 H BARG A 21 2.883 1.834 -5.064 0.80 0.00 H new ATOM 0 HA AARG A 21 1.994 -1.495 -5.165 0.20 0.00 H new ATOM 0 HA BARG A 21 1.880 -0.801 -4.289 0.80 0.00 H new ATOM 0 HB2AARG A 21 2.637 0.699 -3.159 0.20 0.00 H new ATOM 0 HB2BARG A 21 3.184 1.519 -3.003 0.80 0.00 H new ATOM 0 HB3AARG A 21 2.070 -0.919 -2.796 0.20 0.00 H new ATOM 0 HB3BARG A 21 1.872 0.845 -2.057 0.80 0.00 H new ATOM 0 HG2AARG A 21 4.178 -1.859 -3.733 0.20 0.00 H new ATOM 0 HG2BARG A 21 2.972 -1.142 -1.670 0.80 0.00 H new ATOM 0 HG3AARG A 21 4.745 -0.236 -4.072 0.20 0.00 H new ATOM 0 HG3BARG A 21 3.813 -1.112 -3.207 0.80 0.00 H new ATOM 0 HD2AARG A 21 4.219 -1.500 -1.366 0.20 0.00 H new ATOM 0 HD2BARG A 21 5.273 -0.746 -1.161 0.80 0.00 H new ATOM 0 HD3AARG A 21 5.735 -0.881 -1.989 0.20 0.00 H new ATOM 0 HD3BARG A 21 5.432 0.459 -2.423 0.80 0.00 H new ATOM 0 HE AARG A 21 4.126 1.357 -2.004 0.20 0.00 H new ATOM 0 HE BARG A 21 4.668 2.073 -0.941 0.80 0.00 H new ATOM 0 HH11AARG A 21 4.945 -1.085 0.410 0.20 0.00 H new ATOM 0 HH11BARG A 21 3.663 -1.129 0.151 0.80 0.00 H new ATOM 0 HH12AARG A 21 4.765 0.031 1.768 0.20 0.00 H new ATOM 0 HH12BARG A 21 2.988 -0.527 1.668 0.80 0.00 H new ATOM 0 HH21AARG A 21 3.897 2.785 -0.252 0.20 0.00 H new ATOM 0 HH21BARG A 21 3.796 2.839 1.007 0.80 0.00 H new ATOM 0 HH22AARG A 21 4.175 2.210 1.395 0.20 0.00 H new ATOM 0 HH22BARG A 21 3.062 1.711 2.152 0.80 0.00 H new ATOM 561 N AVAL A 22 -0.198 -0.343 -4.071 0.20 0.00 N ATOM 562 N BVAL A 22 -0.514 -0.286 -3.961 0.80 0.00 N ATOM 563 CA AVAL A 22 -1.562 0.162 -3.991 0.20 0.00 C ATOM 564 CA BVAL A 22 -1.943 -0.018 -3.840 0.80 0.00 C ATOM 565 C AVAL A 22 -1.961 0.442 -2.546 0.20 0.00 C ATOM 566 C BVAL A 22 -2.302 0.417 -2.423 0.80 0.00 C ATOM 567 O AVAL A 22 -1.277 0.027 -1.611 0.20 0.00 O ATOM 568 O BVAL A 22 -1.799 -0.138 -1.446 0.80 0.00 O ATOM 569 CB AVAL A 22 -2.567 -0.834 -4.605 0.20 0.00 C ATOM 570 CB BVAL A 22 -2.779 -1.255 -4.213 0.80 0.00 C ATOM 571 CG1AVAL A 22 -2.577 -0.715 -6.122 0.20 0.00 C ATOM 572 CG1BVAL A 22 -4.257 -0.993 -3.970 0.80 0.00 C ATOM 573 CG2AVAL A 22 -2.237 -2.256 -4.175 0.20 0.00 C ATOM 574 CG2BVAL A 22 -2.531 -1.649 -5.661 0.80 0.00 C ATOM 0 H AVAL A 22 0.003 -1.117 -3.438 0.20 0.00 H new ATOM 0 H BVAL A 22 -0.274 -1.276 -4.012 0.80 0.00 H new ATOM 0 HA AVAL A 22 -1.589 1.092 -4.559 0.20 0.00 H new ATOM 0 HA BVAL A 22 -2.174 0.790 -4.534 0.80 0.00 H new ATOM 0 HB AVAL A 22 -3.564 -0.590 -4.239 0.20 0.00 H new ATOM 0 HB BVAL A 22 -2.472 -2.085 -3.577 0.80 0.00 H new ATOM 0 HG11AVAL A 22 -3.292 -1.425 -6.538 0.20 0.00 H new ATOM 0 HG11BVAL A 22 -4.833 -1.879 -4.239 0.80 0.00 H new ATOM 0 HG12AVAL A 22 -2.864 0.297 -6.406 0.20 0.00 H new ATOM 0 HG12BVAL A 22 -4.417 -0.762 -2.917 0.80 0.00 H new ATOM 0 HG13AVAL A 22 -1.582 -0.932 -6.511 0.20 0.00 H new ATOM 0 HG13BVAL A 22 -4.582 -0.150 -4.579 0.80 0.00 H new ATOM 0 HG21AVAL A 22 -2.956 -2.946 -4.617 0.20 0.00 H new ATOM 0 HG21BVAL A 22 -3.130 -2.526 -5.907 0.80 0.00 H new ATOM 0 HG22AVAL A 22 -1.233 -2.514 -4.511 0.20 0.00 H new ATOM 0 HG22BVAL A 22 -2.810 -0.823 -6.316 0.80 0.00 H new ATOM 0 HG23AVAL A 22 -2.286 -2.328 -3.088 0.20 0.00 H new ATOM 0 HG23BVAL A 22 -1.475 -1.881 -5.799 0.80 0.00 H new ATOM 593 N ATYR A 23 -3.072 1.150 -2.372 0.20 0.00 N ATOM 594 N BTYR A 23 -3.172 1.414 -2.319 0.80 0.00 N ATOM 595 CA ATYR A 23 -3.561 1.488 -1.041 0.20 0.00 C ATOM 596 CA BTYR A 23 -3.598 1.926 -1.022 0.80 0.00 C ATOM 597 C ATYR A 23 -4.987 2.027 -1.106 0.20 0.00 C ATOM 598 C BTYR A 23 -5.055 2.371 -1.065 0.80 0.00 C ATOM 599 O ATYR A 23 -5.603 2.062 -2.170 0.20 0.00 O ATOM 600 O BTYR A 23 -5.699 2.336 -2.114 0.80 0.00 O ATOM 601 CB ATYR A 23 -2.643 2.521 -0.384 0.20 0.00 C ATOM 602 CB BTYR A 23 -2.708 3.094 -0.594 0.80 0.00 C ATOM 603 CG ATYR A 23 -2.337 3.707 -1.269 0.20 0.00 C ATOM 604 CG BTYR A 23 -2.766 4.276 -1.534 0.80 0.00 C ATOM 605 CD1ATYR A 23 -3.097 4.869 -1.195 0.20 0.00 C ATOM 606 CD1BTYR A 23 -3.707 5.284 -1.356 0.80 0.00 C ATOM 607 CD2ATYR A 23 -1.289 3.669 -2.179 0.20 0.00 C ATOM 608 CD2BTYR A 23 -1.884 4.387 -2.601 0.80 0.00 C ATOM 609 CE1ATYR A 23 -2.821 5.956 -2.002 0.20 0.00 C ATOM 610 CE1BTYR A 23 -3.765 6.367 -2.212 0.80 0.00 C ATOM 611 CE2ATYR A 23 -1.004 4.752 -2.990 0.20 0.00 C ATOM 612 CE2BTYR A 23 -1.934 5.466 -3.461 0.80 0.00 C ATOM 613 CZ ATYR A 23 -1.773 5.891 -2.897 0.20 0.00 C ATOM 614 CZ BTYR A 23 -2.876 6.453 -3.263 0.80 0.00 C ATOM 615 OH ATYR A 23 -1.496 6.972 -3.703 0.20 0.00 O ATOM 616 OH BTYR A 23 -2.931 7.529 -4.118 0.80 0.00 O ATOM 0 H ATYR A 23 -3.650 1.501 -3.136 0.20 0.00 H new ATOM 0 H BTYR A 23 -3.597 1.885 -3.118 0.80 0.00 H new ATOM 0 HA ATYR A 23 -3.562 0.579 -0.440 0.20 0.00 H new ATOM 0 HA BTYR A 23 -3.504 1.121 -0.293 0.80 0.00 H new ATOM 0 HB2ATYR A 23 -3.108 2.875 0.536 0.20 0.00 H new ATOM 0 HB2BTYR A 23 -3.004 3.419 0.403 0.80 0.00 H new ATOM 0 HB3ATYR A 23 -1.708 2.037 -0.103 0.20 0.00 H new ATOM 0 HB3BTYR A 23 -1.677 2.747 -0.523 0.80 0.00 H new ATOM 0 HD1ATYR A 23 -3.917 4.923 -0.495 0.20 0.00 H new ATOM 0 HD1BTYR A 23 -4.405 5.219 -0.534 0.80 0.00 H new ATOM 0 HD2ATYR A 23 -0.685 2.777 -2.255 0.20 0.00 H new ATOM 0 HD2BTYR A 23 -1.146 3.615 -2.761 0.80 0.00 H new ATOM 0 HE1ATYR A 23 -3.422 6.851 -1.933 0.20 0.00 H new ATOM 0 HE1BTYR A 23 -4.502 7.142 -2.059 0.80 0.00 H new ATOM 0 HE2ATYR A 23 -0.184 4.705 -3.691 0.20 0.00 H new ATOM 0 HE2BTYR A 23 -1.239 5.536 -4.285 0.80 0.00 H new ATOM 0 HH ATYR A 23 -1.787 6.780 -4.619 0.20 0.00 H new ATOM 0 HH BTYR A 23 -2.236 7.438 -4.803 0.80 0.00 H new ATOM 635 N ATYR A 24 -5.507 2.446 0.044 0.20 0.00 N ATOM 636 N BTYR A 24 -5.572 2.793 0.085 0.80 0.00 N ATOM 637 CA ATYR A 24 -6.860 2.981 0.121 0.20 0.00 C ATOM 638 CA BTYR A 24 -6.955 3.246 0.182 0.80 0.00 C ATOM 639 C ATYR A 24 -6.839 4.471 0.450 0.20 0.00 C ATOM 640 C BTYR A 24 -7.026 4.663 0.740 0.80 0.00 C ATOM 641 O ATYR A 24 -5.965 4.946 1.177 0.20 0.00 O ATOM 642 O BTYR A 24 -6.400 4.977 1.753 0.80 0.00 O ATOM 643 CB ATYR A 24 -7.671 2.225 1.174 0.20 0.00 C ATOM 644 CB BTYR A 24 -7.763 2.296 1.067 0.80 0.00 C ATOM 645 CG ATYR A 24 -7.481 0.727 1.125 0.20 0.00 C ATOM 646 CG BTYR A 24 -7.512 0.834 0.774 0.80 0.00 C ATOM 647 CD1ATYR A 24 -8.006 -0.025 0.082 0.20 0.00 C ATOM 648 CD1BTYR A 24 -7.830 0.288 -0.464 0.80 0.00 C ATOM 649 CD2ATYR A 24 -6.777 0.063 2.122 0.20 0.00 C ATOM 650 CD2BTYR A 24 -6.959 -0.002 1.735 0.80 0.00 C ATOM 651 CE1ATYR A 24 -7.835 -1.395 0.032 0.20 0.00 C ATOM 652 CE1BTYR A 24 -7.603 -1.047 -0.736 0.80 0.00 C ATOM 653 CE2ATYR A 24 -6.600 -1.306 2.079 0.20 0.00 C ATOM 654 CE2BTYR A 24 -6.726 -1.339 1.471 0.80 0.00 C ATOM 655 CZ ATYR A 24 -7.132 -2.031 1.034 0.20 0.00 C ATOM 656 CZ BTYR A 24 -7.051 -1.857 0.234 0.80 0.00 C ATOM 657 OH ATYR A 24 -6.959 -3.395 0.989 0.20 0.00 O ATOM 658 OH BTYR A 24 -6.821 -3.187 -0.032 0.80 0.00 O ATOM 0 H ATYR A 24 -5.011 2.425 0.935 0.20 0.00 H new ATOM 0 H BTYR A 24 -5.054 2.831 0.963 0.80 0.00 H new ATOM 0 HA ATYR A 24 -7.331 2.850 -0.853 0.20 0.00 H new ATOM 0 HA BTYR A 24 -7.381 3.249 -0.821 0.80 0.00 H new ATOM 0 HB2ATYR A 24 -7.391 2.586 2.164 0.20 0.00 H new ATOM 0 HB2BTYR A 24 -7.524 2.495 2.112 0.80 0.00 H new ATOM 0 HB3ATYR A 24 -8.728 2.453 1.039 0.20 0.00 H new ATOM 0 HB3BTYR A 24 -8.825 2.507 0.937 0.80 0.00 H new ATOM 0 HD1ATYR A 24 -8.558 0.470 -0.704 0.20 0.00 H new ATOM 0 HD1BTYR A 24 -8.262 0.919 -1.227 0.80 0.00 H new ATOM 0 HD2ATYR A 24 -6.361 0.627 2.944 0.20 0.00 H new ATOM 0 HD2BTYR A 24 -6.707 0.399 2.705 0.80 0.00 H new ATOM 0 HE1ATYR A 24 -8.249 -1.965 -0.787 0.20 0.00 H new ATOM 0 HE1BTYR A 24 -7.857 -1.454 -1.704 0.80 0.00 H new ATOM 0 HE2ATYR A 24 -6.047 -1.806 2.860 0.20 0.00 H new ATOM 0 HE2BTYR A 24 -6.292 -1.974 2.229 0.80 0.00 H new ATOM 0 HH ATYR A 24 -6.441 -3.685 1.769 0.20 0.00 H new ATOM 0 HH BTYR A 24 -6.427 -3.615 0.757 0.80 0.00 H new ATOM 677 N APHE A 25 -7.808 5.204 -0.089 0.20 0.00 N ATOM 678 N BPHE A 25 -7.796 5.518 0.073 0.80 0.00 N ATOM 679 CA APHE A 25 -7.901 6.640 0.147 0.20 0.00 C ATOM 680 CA BPHE A 25 -7.952 6.902 0.501 0.80 0.00 C ATOM 681 C APHE A 25 -9.312 7.029 0.579 0.20 0.00 C ATOM 682 C BPHE A 25 -9.425 7.268 0.635 0.80 0.00 C ATOM 683 O APHE A 25 -10.294 6.671 -0.070 0.20 0.00 O ATOM 684 O BPHE A 25 -10.265 6.804 -0.134 0.80 0.00 O ATOM 685 CB APHE A 25 -7.511 7.411 -1.115 0.20 0.00 C ATOM 686 CB BPHE A 25 -7.269 7.844 -0.495 0.80 0.00 C ATOM 687 CG APHE A 25 -7.764 8.889 -1.016 0.20 0.00 C ATOM 688 CG BPHE A 25 -7.586 9.294 -0.261 0.80 0.00 C ATOM 689 CD1APHE A 25 -7.113 9.655 -0.064 0.20 0.00 C ATOM 690 CD1BPHE A 25 -6.981 9.991 0.771 0.80 0.00 C ATOM 691 CD2APHE A 25 -8.658 9.511 -1.876 0.20 0.00 C ATOM 692 CD2BPHE A 25 -8.490 9.959 -1.073 0.80 0.00 C ATOM 693 CE1APHE A 25 -7.342 11.016 0.028 0.20 0.00 C ATOM 694 CE1BPHE A 25 -7.270 11.326 0.990 0.80 0.00 C ATOM 695 CE2APHE A 25 -8.892 10.871 -1.787 0.20 0.00 C ATOM 696 CE2BPHE A 25 -8.783 11.293 -0.860 0.80 0.00 C ATOM 697 CZ APHE A 25 -8.235 11.624 -0.834 0.20 0.00 C ATOM 698 CZ BPHE A 25 -8.172 11.976 0.172 0.80 0.00 C ATOM 0 H APHE A 25 -8.539 4.827 -0.692 0.20 0.00 H new ATOM 0 H BPHE A 25 -8.322 5.275 -0.767 0.80 0.00 H new ATOM 0 HA APHE A 25 -7.210 6.897 0.950 0.20 0.00 H new ATOM 0 HA BPHE A 25 -7.480 7.010 1.478 0.80 0.00 H new ATOM 0 HB2APHE A 25 -6.454 7.244 -1.321 0.20 0.00 H new ATOM 0 HB2BPHE A 25 -6.190 7.702 -0.436 0.80 0.00 H new ATOM 0 HB3APHE A 25 -8.068 7.011 -1.962 0.20 0.00 H new ATOM 0 HB3BPHE A 25 -7.572 7.572 -1.506 0.80 0.00 H new ATOM 0 HD1APHE A 25 -6.418 9.184 0.615 0.20 0.00 H new ATOM 0 HD1BPHE A 25 -6.275 9.486 1.413 0.80 0.00 H new ATOM 0 HD2APHE A 25 -9.176 8.927 -2.622 0.20 0.00 H new ATOM 0 HD2BPHE A 25 -8.971 9.429 -1.882 0.80 0.00 H new ATOM 0 HE1APHE A 25 -6.824 11.603 0.772 0.20 0.00 H new ATOM 0 HE1BPHE A 25 -6.791 11.858 1.799 0.80 0.00 H new ATOM 0 HE2APHE A 25 -9.589 11.344 -2.463 0.20 0.00 H new ATOM 0 HE2BPHE A 25 -9.489 11.800 -1.500 0.80 0.00 H new ATOM 0 HZ APHE A 25 -8.419 12.686 -0.762 0.20 0.00 H new ATOM 0 HZ BPHE A 25 -8.400 13.018 0.339 0.80 0.00 H new ATOM 717 N AASN A 26 -9.404 7.764 1.683 0.20 0.00 N ATOM 718 N BASN A 26 -9.734 8.105 1.621 0.80 0.00 N ATOM 719 CA AASN A 26 -10.695 8.203 2.203 0.20 0.00 C ATOM 720 CA BASN A 26 -11.108 8.533 1.858 0.80 0.00 C ATOM 721 C AASN A 26 -11.004 9.628 1.761 0.20 0.00 C ATOM 722 C BASN A 26 -11.316 9.974 1.402 0.80 0.00 C ATOM 723 O AASN A 26 -10.362 10.583 2.202 0.20 0.00 O ATOM 724 O BASN A 26 -10.592 10.879 1.816 0.80 0.00 O ATOM 725 CB AASN A 26 -10.707 8.116 3.730 0.20 0.00 C ATOM 726 CB BASN A 26 -11.456 8.403 3.343 0.80 0.00 C ATOM 727 CG AASN A 26 -12.094 8.316 4.310 0.20 0.00 C ATOM 728 CG BASN A 26 -12.952 8.417 3.589 0.80 0.00 C ATOM 729 OD1AASN A 26 -12.481 9.433 4.654 0.20 0.00 O ATOM 730 OD1BASN A 26 -13.710 9.029 2.838 0.80 0.00 O ATOM 731 ND2AASN A 26 -12.850 7.229 4.421 0.20 0.00 N ATOM 732 ND2BASN A 26 -13.383 7.742 4.649 0.80 0.00 N ATOM 0 H AASN A 26 -8.601 8.068 2.234 0.20 0.00 H new ATOM 0 H BASN A 26 -9.052 8.500 2.268 0.80 0.00 H new ATOM 0 HA AASN A 26 -11.464 7.544 1.801 0.20 0.00 H new ATOM 0 HA BASN A 26 -11.767 7.887 1.278 0.80 0.00 H new ATOM 0 HB2AASN A 26 -10.324 7.143 4.039 0.20 0.00 H new ATOM 0 HB2BASN A 26 -11.035 7.476 3.732 0.80 0.00 H new ATOM 0 HB3AASN A 26 -10.033 8.869 4.139 0.20 0.00 H new ATOM 0 HB3BASN A 26 -10.992 9.220 3.895 0.80 0.00 H new ATOM 0 HD21AASN A 26 -13.793 7.300 4.804 0.20 0.00 H new ATOM 0 HD21BASN A 26 -14.379 7.717 4.867 0.80 0.00 H new ATOM 0 HD22AASN A 26 -12.488 6.323 4.123 0.20 0.00 H new ATOM 0 HD22BASN A 26 -12.718 7.249 5.244 0.80 0.00 H new ATOM 745 N AHIS A 27 -11.996 9.769 0.885 0.20 0.00 N ATOM 746 N BHIS A 27 -12.311 10.179 0.543 0.80 0.00 N ATOM 747 CA AHIS A 27 -12.392 11.080 0.384 0.20 0.00 C ATOM 748 CA BHIS A 27 -12.614 11.510 0.030 0.80 0.00 C ATOM 749 C AHIS A 27 -13.508 11.675 1.238 0.20 0.00 C ATOM 750 C BHIS A 27 -13.430 12.309 1.043 0.80 0.00 C ATOM 751 O AHIS A 27 -14.395 12.358 0.729 0.20 0.00 O ATOM 752 O BHIS A 27 -13.501 13.536 0.966 0.80 0.00 O ATOM 753 CB AHIS A 27 -12.853 10.975 -1.071 0.20 0.00 C ATOM 754 CB BHIS A 27 -13.377 11.408 -1.291 0.80 0.00 C ATOM 755 CG AHIS A 27 -14.177 10.294 -1.235 0.20 0.00 C ATOM 756 CG BHIS A 27 -14.579 10.518 -1.220 0.80 0.00 C ATOM 757 ND1AHIS A 27 -14.837 9.437 -0.422 0.20 0.00 N flip ATOM 758 ND1BHIS A 27 -15.813 10.951 -0.780 0.80 0.00 N ATOM 759 CD2AHIS A 27 -14.978 10.464 -2.344 0.20 0.00 C flip ATOM 760 CD2BHIS A 27 -14.734 9.212 -1.541 0.80 0.00 C ATOM 761 CE1AHIS A 27 -16.015 9.109 -1.046 0.20 0.00 C flip ATOM 762 CE1BHIS A 27 -16.672 9.949 -0.831 0.80 0.00 C ATOM 763 NE2AHIS A 27 -16.076 9.743 -2.203 0.20 0.00 N flip ATOM 764 NE2BHIS A 27 -16.043 8.882 -1.289 0.80 0.00 N ATOM 0 H AHIS A 27 -12.539 8.992 0.509 0.20 0.00 H new ATOM 0 H BHIS A 27 -12.920 9.441 0.189 0.80 0.00 H new ATOM 0 HA AHIS A 27 -11.525 11.738 0.439 0.20 0.00 H new ATOM 0 HA BHIS A 27 -11.672 12.030 -0.143 0.80 0.00 H new ATOM 0 HB2AHIS A 27 -12.914 11.977 -1.497 0.20 0.00 H new ATOM 0 HB2BHIS A 27 -13.691 12.406 -1.598 0.80 0.00 H new ATOM 0 HB3AHIS A 27 -12.101 10.431 -1.643 0.20 0.00 H new ATOM 0 HB3BHIS A 27 -12.704 11.035 -2.062 0.80 0.00 H new ATOM 0 HD2AHIS A 27 -14.745 11.088 -3.194 0.20 0.00 H new ATOM 0 HD2BHIS A 27 -13.970 8.552 -1.924 0.80 0.00 H new ATOM 0 HE1AHIS A 27 -16.769 8.442 -0.655 0.20 0.00 H new ATOM 0 HE1BHIS A 27 -17.713 9.995 -0.546 0.80 0.00 H new ATOM 0 HE2AHIS A 27 -16.842 9.686 -2.874 0.20 0.00 H new ATOM 0 HE2BHIS A 27 -16.461 7.963 -1.432 0.80 0.00 H new ATOM 779 N AILE A 28 -13.454 11.408 2.539 0.20 0.00 N ATOM 780 N BILE A 28 -14.045 11.606 1.988 0.80 0.00 N ATOM 781 CA AILE A 28 -14.459 11.917 3.465 0.20 0.00 C ATOM 782 CA BILE A 28 -14.855 12.249 3.014 0.80 0.00 C ATOM 783 C AILE A 28 -13.810 12.680 4.615 0.20 0.00 C ATOM 784 C BILE A 28 -13.989 12.738 4.171 0.80 0.00 C ATOM 785 O AILE A 28 -14.244 13.775 4.973 0.20 0.00 O ATOM 786 O BILE A 28 -14.112 13.882 4.614 0.80 0.00 O ATOM 787 CB AILE A 28 -15.323 10.780 4.040 0.20 0.00 C ATOM 788 CB BILE A 28 -15.932 11.296 3.561 0.80 0.00 C ATOM 789 CG1AILE A 28 -16.093 10.079 2.918 0.20 0.00 C ATOM 790 CG1BILE A 28 -16.867 10.847 2.436 0.80 0.00 C ATOM 791 CG2AILE A 28 -16.281 11.321 5.090 0.20 0.00 C ATOM 792 CG2BILE A 28 -16.719 11.969 4.674 0.80 0.00 C ATOM 793 CD1AILE A 28 -17.040 10.994 2.171 0.20 0.00 C ATOM 794 CD1BILE A 28 -18.000 9.964 2.909 0.80 0.00 C ATOM 0 H AILE A 28 -12.726 10.843 2.975 0.20 0.00 H new ATOM 0 H BILE A 28 -13.997 10.590 2.064 0.80 0.00 H new ATOM 0 HA AILE A 28 -15.097 12.594 2.897 0.20 0.00 H new ATOM 0 HA BILE A 28 -15.343 13.102 2.542 0.80 0.00 H new ATOM 0 HB AILE A 28 -14.668 10.051 4.517 0.20 0.00 H new ATOM 0 HB BILE A 28 -15.440 10.414 3.972 0.80 0.00 H new ATOM 0 HG12AILE A 28 -15.381 9.652 2.212 0.20 0.00 H new ATOM 0 HG12BILE A 28 -17.283 11.728 1.947 0.80 0.00 H new ATOM 0 HG13AILE A 28 -16.660 9.249 3.341 0.20 0.00 H new ATOM 0 HG13BILE A 28 -16.287 10.310 1.685 0.80 0.00 H new ATOM 0 HG21AILE A 28 -16.885 10.505 5.487 0.20 0.00 H new ATOM 0 HG21BILE A 28 -17.477 11.282 5.050 0.80 0.00 H new ATOM 0 HG22AILE A 28 -15.713 11.779 5.900 0.20 0.00 H new ATOM 0 HG22BILE A 28 -16.043 12.242 5.484 0.80 0.00 H new ATOM 0 HG23AILE A 28 -16.933 12.068 4.637 0.20 0.00 H new ATOM 0 HG23BILE A 28 -17.202 12.866 4.287 0.80 0.00 H new ATOM 0 HD11AILE A 28 -17.551 10.430 1.391 0.20 0.00 H new ATOM 0 HD11BILE A 28 -18.622 9.684 2.059 0.80 0.00 H new ATOM 0 HD12AILE A 28 -17.775 11.402 2.865 0.20 0.00 H new ATOM 0 HD12BILE A 28 -17.592 9.065 3.372 0.80 0.00 H new ATOM 0 HD13AILE A 28 -16.476 11.810 1.719 0.20 0.00 H new ATOM 0 HD13BILE A 28 -18.603 10.505 3.638 0.80 0.00 H new ATOM 817 N ATHR A 29 -12.766 12.092 5.192 0.20 0.00 N ATOM 818 N BTHR A 29 -13.111 11.866 4.657 0.80 0.00 N ATOM 819 CA ATHR A 29 -12.057 12.715 6.303 0.20 0.00 C ATOM 820 CA BTHR A 29 -12.223 12.207 5.761 0.80 0.00 C ATOM 821 C ATHR A 29 -10.614 13.029 5.926 0.20 0.00 C ATOM 822 C BTHR A 29 -10.908 12.786 5.251 0.80 0.00 C ATOM 823 O ATHR A 29 -9.730 13.063 6.784 0.20 0.00 O ATOM 824 O BTHR A 29 -10.183 13.450 5.990 0.80 0.00 O ATOM 825 CB ATHR A 29 -12.065 11.814 7.550 0.20 0.00 C ATOM 826 CB BTHR A 29 -11.925 10.981 6.641 0.80 0.00 C ATOM 827 OG1ATHR A 29 -12.916 10.683 7.334 0.20 0.00 O ATOM 828 OG1BTHR A 29 -11.973 9.787 5.852 0.80 0.00 O ATOM 829 CG2ATHR A 29 -12.541 12.585 8.773 0.20 0.00 C ATOM 830 CG2BTHR A 29 -12.923 10.879 7.785 0.80 0.00 C ATOM 0 H ATHR A 29 -12.393 11.186 4.908 0.20 0.00 H new ATOM 0 H BTHR A 29 -12.996 10.917 4.302 0.80 0.00 H new ATOM 0 HA ATHR A 29 -12.581 13.643 6.532 0.20 0.00 H new ATOM 0 HA BTHR A 29 -12.738 12.958 6.360 0.80 0.00 H new ATOM 0 HB ATHR A 29 -11.045 11.472 7.729 0.20 0.00 H new ATOM 0 HB BTHR A 29 -10.926 11.098 7.061 0.80 0.00 H new ATOM 0 HG1ATHR A 29 -12.655 10.231 6.504 0.20 0.00 H new ATOM 0 HG1BTHR A 29 -11.781 9.012 6.420 0.80 0.00 H new ATOM 0 HG21ATHR A 29 -12.538 11.927 9.642 0.20 0.00 H new ATOM 0 HG21BTHR A 29 -12.691 10.004 8.393 0.80 0.00 H new ATOM 0 HG22ATHR A 29 -11.874 13.428 8.954 0.20 0.00 H new ATOM 0 HG22BTHR A 29 -12.863 11.776 8.402 0.80 0.00 H new ATOM 0 HG23ATHR A 29 -13.552 12.953 8.600 0.20 0.00 H new ATOM 0 HG23BTHR A 29 -13.931 10.784 7.381 0.80 0.00 H new ATOM 845 N AASN A 30 -10.379 13.259 4.638 0.20 0.00 N ATOM 846 N BASN A 30 -10.607 12.530 3.982 0.80 0.00 N ATOM 847 CA AASN A 30 -9.041 13.570 4.148 0.20 0.00 C ATOM 848 CA BASN A 30 -9.378 13.025 3.374 0.80 0.00 C ATOM 849 C AASN A 30 -8.015 12.590 4.708 0.20 0.00 C ATOM 850 C BASN A 30 -8.152 12.415 4.048 0.80 0.00 C ATOM 851 O AASN A 30 -6.867 12.954 4.961 0.20 0.00 O ATOM 852 O BASN A 30 -7.327 13.127 4.618 0.80 0.00 O ATOM 853 CB AASN A 30 -8.656 15.001 4.528 0.20 0.00 C ATOM 854 CB BASN A 30 -9.318 14.551 3.465 0.80 0.00 C ATOM 855 CG AASN A 30 -9.199 16.026 3.550 0.20 0.00 C ATOM 856 CG BASN A 30 -8.348 15.153 2.466 0.80 0.00 C ATOM 857 OD1AASN A 30 -10.157 16.738 3.847 0.20 0.00 O ATOM 858 OD1BASN A 30 -7.507 14.453 1.902 0.80 0.00 O ATOM 859 ND2AASN A 30 -8.587 16.101 2.373 0.20 0.00 N ATOM 860 ND2BASN A 30 -8.462 16.457 2.242 0.80 0.00 N ATOM 0 H AASN A 30 -11.098 13.236 3.915 0.20 0.00 H new ATOM 0 H BASN A 30 -11.197 11.983 3.355 0.80 0.00 H new ATOM 0 HA AASN A 30 -9.049 13.479 3.062 0.20 0.00 H new ATOM 0 HA BASN A 30 -9.377 12.730 2.325 0.80 0.00 H new ATOM 0 HB2AASN A 30 -9.031 15.222 5.527 0.20 0.00 H new ATOM 0 HB2BASN A 30 -10.313 14.962 3.294 0.80 0.00 H new ATOM 0 HB3AASN A 30 -7.570 15.083 4.570 0.20 0.00 H new ATOM 0 HB3BASN A 30 -9.023 14.841 4.474 0.80 0.00 H new ATOM 0 HD21AASN A 30 -8.908 16.769 1.673 0.20 0.00 H new ATOM 0 HD21BASN A 30 -7.838 16.917 1.580 0.80 0.00 H new ATOM 0 HD22AASN A 30 -7.796 15.490 2.170 0.20 0.00 H new ATOM 0 HD22BASN A 30 -9.174 16.998 2.732 0.80 0.00 H new ATOM 873 N AALA A 31 -8.438 11.343 4.897 0.20 0.00 N ATOM 874 N BALA A 31 -8.042 11.092 3.978 0.80 0.00 N ATOM 875 CA AALA A 31 -7.554 10.311 5.424 0.20 0.00 C ATOM 876 CA BALA A 31 -6.918 10.387 4.581 0.80 0.00 C ATOM 877 C AALA A 31 -7.018 9.425 4.306 0.20 0.00 C ATOM 878 C BALA A 31 -6.649 9.069 3.862 0.80 0.00 C ATOM 879 O AALA A 31 -7.597 9.357 3.222 0.20 0.00 O ATOM 880 O BALA A 31 -7.535 8.513 3.212 0.80 0.00 O ATOM 881 CB AALA A 31 -8.287 9.470 6.460 0.20 0.00 C ATOM 882 CB BALA A 31 -7.178 10.142 6.059 0.80 0.00 C ATOM 0 H AALA A 31 -9.385 11.025 4.693 0.20 0.00 H new ATOM 0 H BALA A 31 -8.717 10.488 3.510 0.80 0.00 H new ATOM 0 HA AALA A 31 -6.706 10.801 5.902 0.20 0.00 H new ATOM 0 HA BALA A 31 -6.032 11.014 4.480 0.80 0.00 H new ATOM 0 HB1AALA A 31 -7.616 8.703 6.846 0.20 0.00 H new ATOM 0 HB1BALA A 31 -6.330 9.615 6.495 0.80 0.00 H new ATOM 0 HB2AALA A 31 -8.618 10.109 7.279 0.20 0.00 H new ATOM 0 HB2BALA A 31 -7.313 11.096 6.568 0.80 0.00 H new ATOM 0 HB3AALA A 31 -9.153 8.996 5.997 0.20 0.00 H new ATOM 0 HB3BALA A 31 -8.079 9.539 6.175 0.80 0.00 H new ATOM 893 N ASER A 32 -5.906 8.747 4.574 0.20 0.00 N ATOM 894 N BSER A 32 -5.422 8.573 3.986 0.80 0.00 N ATOM 895 CA ASER A 32 -5.288 7.868 3.589 0.20 0.00 C ATOM 896 CA BSER A 32 -5.037 7.321 3.344 0.80 0.00 C ATOM 897 C ASER A 32 -4.377 6.848 4.267 0.20 0.00 C ATOM 898 C BSER A 32 -4.589 6.295 4.381 0.80 0.00 C ATOM 899 O ASER A 32 -3.190 7.099 4.464 0.20 0.00 O ATOM 900 O BSER A 32 -4.084 6.653 5.444 0.80 0.00 O ATOM 901 CB ASER A 32 -4.488 8.688 2.574 0.20 0.00 C ATOM 902 CB BSER A 32 -3.913 7.565 2.335 0.80 0.00 C ATOM 903 OG ASER A 32 -5.104 9.942 2.335 0.20 0.00 O ATOM 904 OG BSER A 32 -3.072 6.431 2.224 0.80 0.00 O ATOM 0 H ASER A 32 -5.414 8.790 5.467 0.20 0.00 H new ATOM 0 H BSER A 32 -4.678 9.018 4.524 0.80 0.00 H new ATOM 0 HA ASER A 32 -6.081 7.331 3.068 0.20 0.00 H new ATOM 0 HA BSER A 32 -5.908 6.927 2.820 0.80 0.00 H new ATOM 0 HB2ASER A 32 -3.474 8.842 2.944 0.20 0.00 H new ATOM 0 HB2BSER A 32 -4.340 7.802 1.360 0.80 0.00 H new ATOM 0 HB3ASER A 32 -4.406 8.135 1.638 0.20 0.00 H new ATOM 0 HB3BSER A 32 -3.325 8.429 2.643 0.80 0.00 H new ATOM 0 HG ASER A 32 -4.574 10.448 1.684 0.20 0.00 H new ATOM 0 HG BSER A 32 -2.363 6.612 1.572 0.80 0.00 H new ATOM 915 N AGLN A 33 -4.946 5.699 4.614 0.20 0.00 N ATOM 916 N BGLN A 33 -4.778 5.019 4.062 0.80 0.00 N ATOM 917 CA AGLN A 33 -4.186 4.640 5.270 0.20 0.00 C ATOM 918 CA BGLN A 33 -4.396 3.941 4.965 0.80 0.00 C ATOM 919 C AGLN A 33 -4.126 3.391 4.396 0.20 0.00 C ATOM 920 C BGLN A 33 -4.109 2.657 4.192 0.80 0.00 C ATOM 921 O AGLN A 33 -4.951 3.208 3.502 0.20 0.00 O ATOM 922 O BGLN A 33 -4.902 2.238 3.347 0.80 0.00 O ATOM 923 CB AGLN A 33 -4.807 4.300 6.625 0.20 0.00 C ATOM 924 CB BGLN A 33 -5.501 3.693 5.994 0.80 0.00 C ATOM 925 CG AGLN A 33 -6.278 3.928 6.541 0.20 0.00 C ATOM 926 CG BGLN A 33 -5.082 2.767 7.126 0.80 0.00 C ATOM 927 CD AGLN A 33 -6.729 3.062 7.703 0.20 0.00 C ATOM 928 CD BGLN A 33 -6.091 2.735 8.256 0.80 0.00 C ATOM 929 OE1AGLN A 33 -6.123 3.078 8.775 0.20 0.00 O ATOM 930 OE1BGLN A 33 -6.200 3.682 9.035 0.80 0.00 O ATOM 931 NE2AGLN A 33 -7.797 2.303 7.495 0.20 0.00 N ATOM 932 NE2BGLN A 33 -6.838 1.639 8.352 0.80 0.00 N ATOM 0 H AGLN A 33 -5.928 5.477 4.453 0.20 0.00 H new ATOM 0 H BGLN A 33 -5.194 4.707 3.184 0.80 0.00 H new ATOM 0 HA AGLN A 33 -3.169 5.001 5.426 0.20 0.00 H new ATOM 0 HA BGLN A 33 -3.486 4.242 5.484 0.80 0.00 H new ATOM 0 HB2AGLN A 33 -4.256 3.472 7.071 0.20 0.00 H new ATOM 0 HB2BGLN A 33 -5.815 4.648 6.415 0.80 0.00 H new ATOM 0 HB3AGLN A 33 -4.694 5.154 7.292 0.20 0.00 H new ATOM 0 HB3BGLN A 33 -6.368 3.267 5.489 0.80 0.00 H new ATOM 0 HG2AGLN A 33 -6.878 4.838 6.516 0.20 0.00 H new ATOM 0 HG2BGLN A 33 -4.948 1.758 6.735 0.80 0.00 H new ATOM 0 HG3AGLN A 33 -6.462 3.399 5.606 0.20 0.00 H new ATOM 0 HG3BGLN A 33 -4.116 3.089 7.515 0.80 0.00 H new ATOM 0 HE21AGLN A 33 -8.268 2.322 6.590 0.20 0.00 H new ATOM 0 HE21BGLN A 33 -6.714 0.878 7.685 0.80 0.00 H new ATOM 0 HE22AGLN A 33 -8.147 1.701 8.240 0.20 0.00 H new ATOM 0 HE22BGLN A 33 -7.534 1.560 9.093 0.80 0.00 H new ATOM 949 N APHE A 34 -3.144 2.536 4.660 0.20 0.00 N ATOM 950 N BPHE A 34 -2.971 2.040 4.485 0.80 0.00 N ATOM 951 CA APHE A 34 -2.976 1.305 3.898 0.20 0.00 C ATOM 952 CA BPHE A 34 -2.579 0.804 3.815 0.80 0.00 C ATOM 953 C APHE A 34 -3.809 0.175 4.497 0.20 0.00 C ATOM 954 C BPHE A 34 -3.304 -0.396 4.417 0.80 0.00 C ATOM 955 O APHE A 34 -4.241 -0.733 3.790 0.20 0.00 O ATOM 956 O BPHE A 34 -3.627 -1.353 3.716 0.80 0.00 O ATOM 957 CB APHE A 34 -1.500 0.901 3.858 0.20 0.00 C ATOM 958 CB BPHE A 34 -1.065 0.603 3.916 0.80 0.00 C ATOM 959 CG APHE A 34 -0.572 2.051 3.591 0.20 0.00 C ATOM 960 CG BPHE A 34 -0.269 1.709 3.285 0.80 0.00 C ATOM 961 CD1APHE A 34 -0.868 2.983 2.608 0.20 0.00 C ATOM 962 CD1BPHE A 34 -0.374 1.969 1.928 0.80 0.00 C ATOM 963 CD2APHE A 34 0.597 2.199 4.321 0.20 0.00 C ATOM 964 CD2BPHE A 34 0.585 2.490 4.048 0.80 0.00 C ATOM 965 CE1APHE A 34 -0.014 4.042 2.360 0.20 0.00 C ATOM 966 CE1BPHE A 34 0.357 2.985 1.344 0.80 0.00 C ATOM 967 CE2APHE A 34 1.453 3.257 4.077 0.20 0.00 C ATOM 968 CE2BPHE A 34 1.318 3.509 3.470 0.80 0.00 C ATOM 969 CZ APHE A 34 1.147 4.179 3.095 0.20 0.00 C ATOM 970 CZ BPHE A 34 1.204 3.757 2.116 0.80 0.00 C ATOM 0 H APHE A 34 -2.452 2.673 5.397 0.20 0.00 H new ATOM 0 H BPHE A 34 -2.304 2.374 5.181 0.80 0.00 H new ATOM 0 HA APHE A 34 -3.323 1.488 2.881 0.20 0.00 H new ATOM 0 HA BPHE A 34 -2.859 0.885 2.765 0.80 0.00 H new ATOM 0 HB2APHE A 34 -1.231 0.441 4.809 0.20 0.00 H new ATOM 0 HB2BPHE A 34 -0.787 0.520 4.967 0.80 0.00 H new ATOM 0 HB3APHE A 34 -1.359 0.144 3.086 0.20 0.00 H new ATOM 0 HB3BPHE A 34 -0.800 -0.341 3.441 0.80 0.00 H new ATOM 0 HD1APHE A 34 -1.775 2.881 2.030 0.20 0.00 H new ATOM 0 HD1BPHE A 34 -1.035 1.370 1.320 0.80 0.00 H new ATOM 0 HD2APHE A 34 0.842 1.480 5.089 0.20 0.00 H new ATOM 0 HD2BPHE A 34 0.679 2.300 5.107 0.80 0.00 H new ATOM 0 HE1APHE A 34 -0.255 4.762 1.592 0.20 0.00 H new ATOM 0 HE1BPHE A 34 0.267 3.176 0.285 0.80 0.00 H new ATOM 0 HE2APHE A 34 2.360 3.362 4.654 0.20 0.00 H new ATOM 0 HE2BPHE A 34 1.979 4.111 4.076 0.80 0.00 H new ATOM 0 HZ APHE A 34 1.815 5.006 2.902 0.20 0.00 H new ATOM 0 HZ BPHE A 34 1.776 4.553 1.662 0.80 0.00 H new ATOM 989 N AGLU A 35 -4.025 0.239 5.807 0.20 0.00 N ATOM 990 N BGLU A 35 -3.556 -0.335 5.721 0.80 0.00 N ATOM 991 CA AGLU A 35 -4.804 -0.777 6.503 0.20 0.00 C ATOM 992 CA BGLU A 35 -4.243 -1.415 6.418 0.80 0.00 C ATOM 993 C AGLU A 35 -6.180 -0.943 5.863 0.20 0.00 C ATOM 994 C BGLU A 35 -5.746 -1.366 6.153 0.80 0.00 C ATOM 995 O AGLU A 35 -6.642 -0.070 5.129 0.20 0.00 O ATOM 996 O BGLU A 35 -6.387 -0.334 6.356 0.80 0.00 O ATOM 997 CB AGLU A 35 -4.957 -0.412 7.981 0.20 0.00 C ATOM 998 CB BGLU A 35 -3.974 -1.334 7.921 0.80 0.00 C ATOM 999 CG AGLU A 35 -4.427 -1.475 8.928 0.20 0.00 C ATOM 1000 CG BGLU A 35 -2.518 -1.068 8.267 0.80 0.00 C ATOM 1001 CD AGLU A 35 -3.261 -0.983 9.765 0.20 0.00 C ATOM 1002 CD BGLU A 35 -2.074 -1.795 9.522 0.80 0.00 C ATOM 1003 OE1AGLU A 35 -3.474 -0.685 10.959 0.20 0.00 O ATOM 1004 OE1BGLU A 35 -2.817 -1.753 10.524 0.80 0.00 O ATOM 1005 OE2AGLU A 35 -2.140 -0.892 9.225 0.20 0.00 O ATOM 1006 OE2BGLU A 35 -0.986 -2.406 9.500 0.80 0.00 O ATOM 0 H AGLU A 35 -3.671 0.984 6.407 0.20 0.00 H new ATOM 0 H BGLU A 35 -3.294 0.451 6.316 0.80 0.00 H new ATOM 0 HA AGLU A 35 -4.270 -1.724 6.424 0.20 0.00 H new ATOM 0 HA BGLU A 35 -3.857 -2.361 6.039 0.80 0.00 H new ATOM 0 HB2AGLU A 35 -4.434 0.525 8.171 0.20 0.00 H new ATOM 0 HB2BGLU A 35 -4.590 -0.544 8.350 0.80 0.00 H new ATOM 0 HB3AGLU A 35 -6.011 -0.238 8.196 0.20 0.00 H new ATOM 0 HB3BGLU A 35 -4.284 -2.269 8.388 0.80 0.00 H new ATOM 0 HG2AGLU A 35 -5.231 -1.802 9.588 0.20 0.00 H new ATOM 0 HG2BGLU A 35 -1.888 -1.375 7.432 0.80 0.00 H new ATOM 0 HG3AGLU A 35 -4.114 -2.346 8.352 0.20 0.00 H new ATOM 0 HG3BGLU A 35 -2.370 0.004 8.401 0.80 0.00 H new ATOM 1019 N AARG A 36 -6.828 -2.069 6.147 0.20 0.00 N ATOM 1020 N BARG A 36 -6.298 -2.486 5.701 0.80 0.00 N ATOM 1021 CA AARG A 36 -8.148 -2.350 5.598 0.20 0.00 C ATOM 1022 CA BARG A 36 -7.724 -2.570 5.408 0.80 0.00 C ATOM 1023 C AARG A 36 -9.241 -1.749 6.478 0.20 0.00 C ATOM 1024 C BARG A 36 -8.552 -2.089 6.597 0.80 0.00 C ATOM 1025 O AARG A 36 -9.456 -2.169 7.615 0.20 0.00 O ATOM 1026 O BARG A 36 -8.631 -2.743 7.635 0.80 0.00 O ATOM 1027 CB AARG A 36 -8.357 -3.858 5.464 0.20 0.00 C ATOM 1028 CB BARG A 36 -8.109 -4.007 5.053 0.80 0.00 C ATOM 1029 CG AARG A 36 -9.655 -4.233 4.767 0.20 0.00 C ATOM 1030 CG BARG A 36 -9.582 -4.178 4.719 0.80 0.00 C ATOM 1031 CD AARG A 36 -9.997 -5.700 4.978 0.20 0.00 C ATOM 1032 CD BARG A 36 -10.027 -5.621 4.884 0.80 0.00 C ATOM 1033 NE AARG A 36 -10.871 -6.216 3.928 0.20 0.00 N ATOM 1034 NE BARG A 36 -11.144 -5.955 4.003 0.80 0.00 N ATOM 1035 CZ AARG A 36 -12.184 -6.018 3.900 0.20 0.00 C ATOM 1036 CZ BARG A 36 -11.780 -7.120 4.030 0.80 0.00 C ATOM 1037 NH1AARG A 36 -12.773 -5.319 4.860 0.20 0.00 N ATOM 1038 NH1BARG A 36 -11.411 -8.060 4.890 0.80 0.00 N ATOM 1039 NH2AARG A 36 -12.911 -6.519 2.910 0.20 0.00 N ATOM 1040 NH2BARG A 36 -12.787 -7.348 3.197 0.80 0.00 N ATOM 0 H AARG A 36 -6.459 -2.801 6.754 0.20 0.00 H new ATOM 0 H BARG A 36 -5.780 -3.348 5.530 0.80 0.00 H new ATOM 0 HA AARG A 36 -8.209 -1.893 4.610 0.20 0.00 H new ATOM 0 HA BARG A 36 -7.934 -1.924 4.556 0.80 0.00 H new ATOM 0 HB2AARG A 36 -7.521 -4.284 4.910 0.20 0.00 H new ATOM 0 HB2BARG A 36 -7.512 -4.335 4.202 0.80 0.00 H new ATOM 0 HB3AARG A 36 -8.344 -4.308 6.457 0.20 0.00 H new ATOM 0 HB3BARG A 36 -7.857 -4.659 5.889 0.80 0.00 H new ATOM 0 HG2AARG A 36 -10.466 -3.611 5.146 0.20 0.00 H new ATOM 0 HG2BARG A 36 -10.180 -3.536 5.366 0.80 0.00 H new ATOM 0 HG3AARG A 36 -9.569 -4.028 3.700 0.20 0.00 H new ATOM 0 HG3BARG A 36 -9.763 -3.855 3.694 0.80 0.00 H new ATOM 0 HD2AARG A 36 -9.078 -6.286 5.005 0.20 0.00 H new ATOM 0 HD2BARG A 36 -9.189 -6.285 4.674 0.80 0.00 H new ATOM 0 HD3AARG A 36 -10.482 -5.823 5.946 0.20 0.00 H new ATOM 0 HD3BARG A 36 -10.318 -5.794 5.920 0.80 0.00 H new ATOM 0 HE AARG A 36 -10.450 -6.759 3.174 0.20 0.00 H new ATOM 0 HE BARG A 36 -11.452 -5.254 3.330 0.80 0.00 H new ATOM 0 HH11AARG A 36 -12.218 -4.932 5.623 0.20 0.00 H new ATOM 0 HH11BARG A 36 -10.637 -7.888 5.532 0.80 0.00 H new ATOM 0 HH12AARG A 36 -13.782 -5.169 4.836 0.20 0.00 H new ATOM 0 HH12BARG A 36 -11.901 -8.954 4.909 0.80 0.00 H new ATOM 0 HH21AARG A 36 -12.462 -7.057 2.169 0.20 0.00 H new ATOM 0 HH21BARG A 36 -13.074 -6.628 2.534 0.80 0.00 H new ATOM 0 HH22AARG A 36 -13.919 -6.366 2.890 0.20 0.00 H new ATOM 0 HH22BARG A 36 -13.274 -8.244 3.219 0.80 0.00 H new ATOM 1067 N APRO A 37 -9.950 -0.744 5.941 0.20 0.00 N ATOM 1068 N BPRO A 37 -9.186 -0.917 6.441 0.80 0.00 N ATOM 1069 CA APRO A 37 -11.031 -0.065 6.658 0.20 0.00 C ATOM 1070 CA BPRO A 37 -10.019 -0.322 7.490 0.80 0.00 C ATOM 1071 C APRO A 37 -12.253 -0.959 6.844 0.20 0.00 C ATOM 1072 C BPRO A 37 -11.310 -1.100 7.715 0.80 0.00 C ATOM 1073 O APRO A 37 -12.997 -1.213 5.896 0.20 0.00 O ATOM 1074 O BPRO A 37 -11.708 -1.917 6.884 0.80 0.00 O ATOM 1075 CB APRO A 37 -11.367 1.123 5.754 0.20 0.00 C ATOM 1076 CB BPRO A 37 -10.326 1.077 6.947 0.80 0.00 C ATOM 1077 CG APRO A 37 -10.946 0.691 4.391 0.20 0.00 C ATOM 1078 CG BPRO A 37 -10.208 0.945 5.469 0.80 0.00 C ATOM 1079 CD APRO A 37 -9.747 -0.194 4.590 0.20 0.00 C ATOM 1080 CD BPRO A 37 -9.137 -0.082 5.229 0.80 0.00 C ATOM 0 HA APRO A 37 -10.734 0.223 7.667 0.20 0.00 H new ATOM 0 HA BPRO A 37 -9.517 -0.319 8.457 0.80 0.00 H new ATOM 0 HB2APRO A 37 -12.431 1.356 5.785 0.20 0.00 H new ATOM 0 HB2BPRO A 37 -11.325 1.403 7.237 0.80 0.00 H new ATOM 0 HB3APRO A 37 -10.835 2.022 6.067 0.20 0.00 H new ATOM 0 HB3BPRO A 37 -9.624 1.815 7.336 0.80 0.00 H new ATOM 0 HG2APRO A 37 -11.749 0.153 3.887 0.20 0.00 H new ATOM 0 HG2BPRO A 37 -11.155 0.632 5.028 0.80 0.00 H new ATOM 0 HG3APRO A 37 -10.698 1.551 3.768 0.20 0.00 H new ATOM 0 HG3BPRO A 37 -9.944 1.899 5.012 0.80 0.00 H new ATOM 0 HD2APRO A 37 -9.700 -0.982 3.838 0.20 0.00 H new ATOM 0 HD2BPRO A 37 -9.335 -0.666 4.330 0.80 0.00 H new ATOM 0 HD3APRO A 37 -8.816 0.369 4.521 0.20 0.00 H new ATOM 0 HD3BPRO A 37 -8.159 0.381 5.099 0.80 0.00 H new ATOM 1095 N ASER A 38 -12.456 -1.430 8.069 0.20 0.00 N ATOM 1096 N BSER A 38 -11.961 -0.842 8.846 0.80 0.00 N ATOM 1097 CA ASER A 38 -13.587 -2.297 8.377 0.20 0.00 C ATOM 1098 CA BSER A 38 -13.206 -1.523 9.182 0.80 0.00 C ATOM 1099 C ASER A 38 -14.908 -1.594 8.082 0.20 0.00 C ATOM 1100 C BSER A 38 -14.398 -0.586 9.015 0.80 0.00 C ATOM 1101 O ASER A 38 -15.859 -2.209 7.604 0.20 0.00 O ATOM 1102 O BSER A 38 -14.234 0.606 8.756 0.80 0.00 O ATOM 1103 CB ASER A 38 -13.544 -2.726 9.844 0.20 0.00 C ATOM 1104 CB BSER A 38 -13.154 -2.049 10.619 0.80 0.00 C ATOM 1105 OG ASER A 38 -12.701 -1.874 10.601 0.20 0.00 O ATOM 1106 OG BSER A 38 -14.314 -2.799 10.929 0.80 0.00 O ATOM 0 H ASER A 38 -11.852 -1.226 8.865 0.20 0.00 H new ATOM 0 H BSER A 38 -11.647 -0.167 9.544 0.80 0.00 H new ATOM 0 HA ASER A 38 -13.516 -3.181 7.744 0.20 0.00 H new ATOM 0 HA BSER A 38 -13.327 -2.364 8.499 0.80 0.00 H new ATOM 0 HB2ASER A 38 -14.551 -2.709 10.260 0.20 0.00 H new ATOM 0 HB2BSER A 38 -12.269 -2.671 10.750 0.80 0.00 H new ATOM 0 HB3ASER A 38 -13.186 -3.753 9.915 0.20 0.00 H new ATOM 0 HB3BSER A 38 -13.061 -1.213 11.312 0.80 0.00 H new ATOM 0 HG ASER A 38 -12.692 -2.169 11.536 0.20 0.00 H new ATOM 0 HG BSER A 38 -14.256 -3.125 11.851 0.80 0.00 H new ATOM 1117 N AGLY A 39 -14.958 -0.296 8.370 0.20 0.00 N ATOM 1118 N BGLY A 39 -15.602 -1.135 9.166 0.80 0.00 N ATOM 1119 CA AGLY A 39 -16.166 0.472 8.129 0.20 0.00 C ATOM 1120 CA BGLY A 39 -16.804 -0.335 9.028 0.80 0.00 C ATOM 1121 C AGLY A 39 -17.113 0.449 9.313 0.20 0.00 C ATOM 1122 C BGLY A 39 -17.692 -0.409 10.253 0.80 0.00 C ATOM 1123 O AGLY A 39 -17.962 1.330 9.452 0.20 0.00 O ATOM 1124 O BGLY A 39 -17.415 0.277 11.237 0.80 0.00 O ATOM 0 H AGLY A 39 -14.183 0.237 8.766 0.20 0.00 H new ATOM 0 H BGLY A 39 -15.764 -2.119 9.381 0.80 0.00 H new ATOM 0 HA2AGLY A 39 -15.898 1.504 7.902 0.20 0.00 H new ATOM 0 HA2BGLY A 39 -16.527 0.703 8.846 0.80 0.00 H new ATOM 0 HA3AGLY A 39 -16.676 0.075 7.252 0.20 0.00 H new ATOM 0 HA3BGLY A 39 -17.364 -0.673 8.156 0.80 0.00 H new