USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 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 37 TYR OH : rot 165:sc= 0.247 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.366 X(o=0.61,f=0.37) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -159:sc= -0.204 (180deg=-1.1) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.0025) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= -0.0127 (180deg=-0.0929) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= -0.0233 (180deg=-0.157) USER MOD Single : A 12 ASN : amide:sc= -0.0213 K(o=-0.021,f=-6.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -3:sc= 0.808 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 18 SER OG : rot -72:sc= 0.159 USER MOD Single : A 19 TYR OH : rot -166:sc= 0.691 USER MOD Single : A 20 GLN : amide:sc= 0.111 K(o=0.11,f=-4.5!) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= 0.658 (180deg=0.298) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.175 F(o=-0.73,f=-0.18) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -120:sc= 0.493 USER MOD Single : A 32 HIS : no HD1:sc= -0.215 K(o=-0.22,f=-0.89) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -73:sc= 0.984 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0431 X(o=-0.043,f=-0.14) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 59 ASN : amide:sc= 0.573 K(o=0.57,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0141) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 75 GLN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.834 11.045 8.587 1.00 41.44 N ATOM 2 CA SER A 1 20.374 11.226 9.996 1.00 22.23 C ATOM 3 C SER A 1 19.806 12.652 10.216 1.00 2.32 C ATOM 4 O SER A 1 18.591 12.826 10.361 1.00 70.44 O ATOM 5 CB SER A 1 21.543 10.938 10.972 1.00 55.32 C ATOM 6 OG SER A 1 22.034 9.612 10.814 1.00 2.52 O ATOM 0 H1 SER A 1 21.210 10.083 8.465 1.00 41.44 H new ATOM 0 H2 SER A 1 20.033 11.188 7.939 1.00 41.44 H new ATOM 0 H3 SER A 1 21.580 11.737 8.374 1.00 41.44 H new ATOM 0 HA SER A 1 19.569 10.518 10.195 1.00 22.23 H new ATOM 0 HB2 SER A 1 22.350 11.650 10.797 1.00 55.32 H new ATOM 0 HB3 SER A 1 21.207 11.084 11.999 1.00 55.32 H new ATOM 0 HG SER A 1 22.772 9.459 11.441 1.00 2.52 H new ATOM 14 N HIS A 2 20.695 13.670 10.215 1.00 13.35 N ATOM 15 CA HIS A 2 20.302 15.093 10.363 1.00 4.23 C ATOM 16 C HIS A 2 21.119 15.957 9.370 1.00 5.14 C ATOM 17 O HIS A 2 22.302 16.241 9.605 1.00 44.03 O ATOM 18 CB HIS A 2 20.519 15.559 11.831 1.00 13.35 C ATOM 19 CG HIS A 2 19.948 16.920 12.157 1.00 64.35 C ATOM 20 ND1 HIS A 2 18.699 17.095 12.715 1.00 23.32 N ATOM 21 CD2 HIS A 2 20.469 18.170 12.029 1.00 62.31 C ATOM 22 CE1 HIS A 2 18.474 18.376 12.911 1.00 15.24 C ATOM 23 NE2 HIS A 2 19.528 19.048 12.506 1.00 45.35 N ATOM 0 H HIS A 2 21.700 13.532 10.112 1.00 13.35 H new ATOM 0 HA HIS A 2 19.243 15.209 10.132 1.00 4.23 H new ATOM 0 HB2 HIS A 2 20.072 14.824 12.500 1.00 13.35 H new ATOM 0 HB3 HIS A 2 21.589 15.571 12.039 1.00 13.35 H new ATOM 0 HD2 HIS A 2 21.439 18.424 11.628 1.00 62.31 H new ATOM 0 HE1 HIS A 2 17.576 18.803 13.333 1.00 15.24 H new ATOM 0 HE2 HIS A 2 19.631 20.062 12.541 1.00 45.35 H new ATOM 32 N MET A 3 20.478 16.359 8.259 1.00 41.20 N ATOM 33 CA MET A 3 21.148 17.108 7.166 1.00 42.13 C ATOM 34 C MET A 3 20.196 18.138 6.506 1.00 44.24 C ATOM 35 O MET A 3 19.009 18.220 6.845 1.00 24.34 O ATOM 36 CB MET A 3 21.685 16.107 6.101 1.00 0.34 C ATOM 37 CG MET A 3 20.601 15.234 5.441 1.00 13.44 C ATOM 38 SD MET A 3 21.254 14.179 4.123 1.00 74.22 S ATOM 39 CE MET A 3 21.919 15.394 2.977 1.00 64.20 C ATOM 0 H MET A 3 19.489 16.179 8.088 1.00 41.20 H new ATOM 0 HA MET A 3 21.980 17.665 7.597 1.00 42.13 H new ATOM 0 HB2 MET A 3 22.205 16.667 5.324 1.00 0.34 H new ATOM 0 HB3 MET A 3 22.421 15.456 6.572 1.00 0.34 H new ATOM 0 HG2 MET A 3 20.132 14.609 6.201 1.00 13.44 H new ATOM 0 HG3 MET A 3 19.822 15.878 5.032 1.00 13.44 H new ATOM 0 HE1 MET A 3 22.008 14.949 1.986 1.00 64.20 H new ATOM 0 HE2 MET A 3 21.250 16.254 2.930 1.00 64.20 H new ATOM 0 HE3 MET A 3 22.902 15.717 3.319 1.00 64.20 H new ATOM 49 N SER A 4 20.744 18.931 5.564 1.00 71.44 N ATOM 50 CA SER A 4 19.950 19.865 4.731 1.00 32.22 C ATOM 51 C SER A 4 19.109 19.081 3.691 1.00 31.52 C ATOM 52 O SER A 4 19.641 18.596 2.680 1.00 74.52 O ATOM 53 CB SER A 4 20.888 20.881 4.025 1.00 63.41 C ATOM 54 OG SER A 4 21.619 21.649 4.965 1.00 70.03 O ATOM 0 H SER A 4 21.743 18.945 5.358 1.00 71.44 H new ATOM 0 HA SER A 4 19.266 20.416 5.376 1.00 32.22 H new ATOM 0 HB2 SER A 4 21.579 20.348 3.372 1.00 63.41 H new ATOM 0 HB3 SER A 4 20.298 21.544 3.391 1.00 63.41 H new ATOM 0 HG SER A 4 22.202 22.278 4.491 1.00 70.03 H new ATOM 60 N ASN A 5 17.793 18.946 3.961 1.00 62.42 N ATOM 61 CA ASN A 5 16.836 18.214 3.090 1.00 32.31 C ATOM 62 C ASN A 5 16.319 19.145 1.945 1.00 74.34 C ATOM 63 O ASN A 5 15.113 19.346 1.757 1.00 63.21 O ATOM 64 CB ASN A 5 15.684 17.659 3.986 1.00 42.21 C ATOM 65 CG ASN A 5 14.744 16.679 3.271 1.00 52.13 C ATOM 66 OD1 ASN A 5 15.006 15.484 3.207 1.00 70.33 O ATOM 67 ND2 ASN A 5 13.644 17.171 2.734 1.00 14.32 N ATOM 0 H ASN A 5 17.358 19.343 4.794 1.00 62.42 H new ATOM 0 HA ASN A 5 17.324 17.372 2.599 1.00 32.31 H new ATOM 0 HB2 ASN A 5 16.121 17.160 4.851 1.00 42.21 H new ATOM 0 HB3 ASN A 5 15.098 18.497 4.364 1.00 42.21 H new ATOM 0 HD21 ASN A 5 12.991 16.553 2.253 1.00 14.32 H new ATOM 0 HD22 ASN A 5 13.447 18.170 2.800 1.00 14.32 H new ATOM 74 N LYS A 6 17.272 19.719 1.189 1.00 10.31 N ATOM 75 CA LYS A 6 17.007 20.670 0.072 1.00 14.35 C ATOM 76 C LYS A 6 17.956 20.384 -1.121 1.00 4.30 C ATOM 77 O LYS A 6 17.586 20.576 -2.284 1.00 34.32 O ATOM 78 CB LYS A 6 17.189 22.147 0.546 1.00 34.45 C ATOM 79 CG LYS A 6 16.146 22.624 1.582 1.00 0.01 C ATOM 80 CD LYS A 6 16.431 24.048 2.113 1.00 73.21 C ATOM 81 CE LYS A 6 15.387 24.517 3.151 1.00 61.22 C ATOM 82 NZ LYS A 6 15.715 25.853 3.707 1.00 40.34 N ATOM 0 H LYS A 6 18.266 19.539 1.332 1.00 10.31 H new ATOM 0 HA LYS A 6 15.975 20.530 -0.251 1.00 14.35 H new ATOM 0 HB2 LYS A 6 18.185 22.257 0.976 1.00 34.45 H new ATOM 0 HB3 LYS A 6 17.143 22.802 -0.324 1.00 34.45 H new ATOM 0 HG2 LYS A 6 15.155 22.603 1.128 1.00 0.01 H new ATOM 0 HG3 LYS A 6 16.128 21.926 2.419 1.00 0.01 H new ATOM 0 HD2 LYS A 6 17.423 24.071 2.565 1.00 73.21 H new ATOM 0 HD3 LYS A 6 16.445 24.747 1.277 1.00 73.21 H new ATOM 0 HE2 LYS A 6 14.402 24.551 2.685 1.00 61.22 H new ATOM 0 HE3 LYS A 6 15.331 23.791 3.962 1.00 61.22 H new ATOM 0 HZ1 LYS A 6 14.989 26.129 4.399 1.00 40.34 H new ATOM 0 HZ2 LYS A 6 16.643 25.816 4.175 1.00 40.34 H new ATOM 0 HZ3 LYS A 6 15.743 26.552 2.937 1.00 40.34 H new ATOM 96 N GLY A 7 19.185 19.893 -0.814 1.00 21.13 N ATOM 97 CA GLY A 7 20.226 19.624 -1.834 1.00 4.12 C ATOM 98 C GLY A 7 20.056 18.305 -2.616 1.00 73.44 C ATOM 99 O GLY A 7 21.045 17.665 -2.990 1.00 63.43 O ATOM 0 H GLY A 7 19.478 19.675 0.139 1.00 21.13 H new ATOM 0 HA2 GLY A 7 20.237 20.450 -2.545 1.00 4.12 H new ATOM 0 HA3 GLY A 7 21.199 19.613 -1.343 1.00 4.12 H new ATOM 103 N LYS A 8 18.795 17.895 -2.853 1.00 35.21 N ATOM 104 CA LYS A 8 18.454 16.713 -3.692 1.00 63.22 C ATOM 105 C LYS A 8 17.795 17.163 -5.014 1.00 51.34 C ATOM 106 O LYS A 8 18.051 16.573 -6.070 1.00 12.23 O ATOM 107 CB LYS A 8 17.494 15.742 -2.929 1.00 4.23 C ATOM 108 CG LYS A 8 18.166 14.835 -1.865 1.00 33.20 C ATOM 109 CD LYS A 8 18.673 15.599 -0.616 1.00 22.33 C ATOM 110 CE LYS A 8 19.388 14.679 0.388 1.00 3.30 C ATOM 111 NZ LYS A 8 18.521 13.559 0.848 1.00 24.34 N ATOM 0 H LYS A 8 17.977 18.370 -2.471 1.00 35.21 H new ATOM 0 HA LYS A 8 19.380 16.183 -3.915 1.00 63.22 H new ATOM 0 HB2 LYS A 8 16.721 16.334 -2.440 1.00 4.23 H new ATOM 0 HB3 LYS A 8 16.994 15.106 -3.659 1.00 4.23 H new ATOM 0 HG2 LYS A 8 17.453 14.074 -1.548 1.00 33.20 H new ATOM 0 HG3 LYS A 8 19.005 14.313 -2.325 1.00 33.20 H new ATOM 0 HD2 LYS A 8 19.355 16.389 -0.930 1.00 22.33 H new ATOM 0 HD3 LYS A 8 17.830 16.083 -0.123 1.00 22.33 H new ATOM 0 HE2 LYS A 8 20.288 14.272 -0.073 1.00 3.30 H new ATOM 0 HE3 LYS A 8 19.708 15.265 1.250 1.00 3.30 H new ATOM 0 HZ1 LYS A 8 18.995 13.048 1.620 1.00 24.34 H new ATOM 0 HZ2 LYS A 8 17.615 13.939 1.189 1.00 24.34 H new ATOM 0 HZ3 LYS A 8 18.347 12.907 0.057 1.00 24.34 H new ATOM 125 N LYS A 9 16.953 18.224 -4.923 1.00 71.42 N ATOM 126 CA LYS A 9 16.093 18.705 -6.032 1.00 12.24 C ATOM 127 C LYS A 9 15.129 17.588 -6.508 1.00 15.13 C ATOM 128 O LYS A 9 15.375 16.911 -7.508 1.00 24.24 O ATOM 129 CB LYS A 9 16.920 19.311 -7.208 1.00 21.11 C ATOM 130 CG LYS A 9 17.792 20.533 -6.825 1.00 73.01 C ATOM 131 CD LYS A 9 16.961 21.707 -6.254 1.00 23.21 C ATOM 132 CE LYS A 9 17.819 22.948 -5.949 1.00 42.31 C ATOM 133 NZ LYS A 9 18.503 23.479 -7.165 1.00 54.32 N ATOM 0 H LYS A 9 16.852 18.774 -4.070 1.00 71.42 H new ATOM 0 HA LYS A 9 15.486 19.522 -5.642 1.00 12.24 H new ATOM 0 HB2 LYS A 9 17.566 18.535 -7.617 1.00 21.11 H new ATOM 0 HB3 LYS A 9 16.234 19.606 -8.002 1.00 21.11 H new ATOM 0 HG2 LYS A 9 18.534 20.227 -6.088 1.00 73.01 H new ATOM 0 HG3 LYS A 9 18.338 20.874 -7.705 1.00 73.01 H new ATOM 0 HD2 LYS A 9 16.181 21.976 -6.967 1.00 23.21 H new ATOM 0 HD3 LYS A 9 16.461 21.383 -5.341 1.00 23.21 H new ATOM 0 HE2 LYS A 9 17.188 23.727 -5.521 1.00 42.31 H new ATOM 0 HE3 LYS A 9 18.566 22.694 -5.197 1.00 42.31 H new ATOM 0 HZ1 LYS A 9 18.913 24.411 -6.953 1.00 54.32 H new ATOM 0 HZ2 LYS A 9 19.259 22.825 -7.452 1.00 54.32 H new ATOM 0 HZ3 LYS A 9 17.814 23.572 -7.938 1.00 54.32 H new ATOM 147 N ARG A 10 14.053 17.385 -5.730 1.00 21.32 N ATOM 148 CA ARG A 10 13.054 16.320 -5.976 1.00 20.11 C ATOM 149 C ARG A 10 11.974 16.786 -6.988 1.00 72.03 C ATOM 150 O ARG A 10 11.905 17.972 -7.331 1.00 74.12 O ATOM 151 CB ARG A 10 12.386 15.921 -4.632 1.00 74.31 C ATOM 152 CG ARG A 10 13.381 15.584 -3.492 1.00 11.11 C ATOM 153 CD ARG A 10 12.675 15.271 -2.159 1.00 21.23 C ATOM 154 NE ARG A 10 11.713 16.327 -1.782 1.00 13.20 N ATOM 155 CZ ARG A 10 11.920 17.307 -0.922 1.00 71.21 C ATOM 156 NH1 ARG A 10 13.030 17.412 -0.246 1.00 53.04 N ATOM 157 NH2 ARG A 10 10.991 18.187 -0.739 1.00 41.41 N ATOM 0 H ARG A 10 13.847 17.954 -4.909 1.00 21.32 H new ATOM 0 HA ARG A 10 13.565 15.458 -6.405 1.00 20.11 H new ATOM 0 HB2 ARG A 10 11.742 16.737 -4.305 1.00 74.31 H new ATOM 0 HB3 ARG A 10 11.744 15.057 -4.803 1.00 74.31 H new ATOM 0 HG2 ARG A 10 13.988 14.728 -3.787 1.00 11.11 H new ATOM 0 HG3 ARG A 10 14.062 16.423 -3.349 1.00 11.11 H new ATOM 0 HD2 ARG A 10 12.153 14.317 -2.240 1.00 21.23 H new ATOM 0 HD3 ARG A 10 13.420 15.161 -1.371 1.00 21.23 H new ATOM 0 HE ARG A 10 10.798 16.296 -2.231 1.00 13.20 H new ATOM 0 HH11 ARG A 10 13.772 16.724 -0.374 1.00 53.04 H new ATOM 0 HH12 ARG A 10 13.156 18.182 0.410 1.00 53.04 H new ATOM 0 HH21 ARG A 10 10.114 18.118 -1.255 1.00 41.41 H new ATOM 0 HH22 ARG A 10 11.135 18.951 -0.078 1.00 41.41 H new ATOM 171 N ARG A 11 11.126 15.840 -7.453 1.00 3.11 N ATOM 172 CA ARG A 11 9.999 16.150 -8.369 1.00 14.42 C ATOM 173 C ARG A 11 8.987 17.127 -7.704 1.00 70.41 C ATOM 174 O ARG A 11 8.649 18.163 -8.289 1.00 45.05 O ATOM 175 CB ARG A 11 9.282 14.843 -8.841 1.00 61.11 C ATOM 176 CG ARG A 11 9.945 14.074 -10.025 1.00 73.54 C ATOM 177 CD ARG A 11 11.290 13.377 -9.687 1.00 63.43 C ATOM 178 NE ARG A 11 12.429 14.312 -9.550 1.00 14.21 N ATOM 179 CZ ARG A 11 13.666 13.965 -9.265 1.00 15.34 C ATOM 180 NH1 ARG A 11 13.996 12.732 -9.083 1.00 2.02 N ATOM 181 NH2 ARG A 11 14.575 14.871 -9.181 1.00 44.41 N ATOM 0 H ARG A 11 11.200 14.852 -7.209 1.00 3.11 H new ATOM 0 HA ARG A 11 10.414 16.643 -9.248 1.00 14.42 H new ATOM 0 HB2 ARG A 11 9.213 14.165 -7.990 1.00 61.11 H new ATOM 0 HB3 ARG A 11 8.262 15.098 -9.129 1.00 61.11 H new ATOM 0 HG2 ARG A 11 9.244 13.321 -10.387 1.00 73.54 H new ATOM 0 HG3 ARG A 11 10.112 14.774 -10.844 1.00 73.54 H new ATOM 0 HD2 ARG A 11 11.176 12.819 -8.757 1.00 63.43 H new ATOM 0 HD3 ARG A 11 11.519 12.652 -10.468 1.00 63.43 H new ATOM 0 HE ARG A 11 12.240 15.305 -9.687 1.00 14.21 H new ATOM 0 HH11 ARG A 11 13.291 11.999 -9.159 1.00 2.02 H new ATOM 0 HH12 ARG A 11 14.962 12.490 -8.863 1.00 2.02 H new ATOM 0 HH21 ARG A 11 14.335 15.850 -9.335 1.00 44.41 H new ATOM 0 HH22 ARG A 11 15.536 14.610 -8.960 1.00 44.41 H new ATOM 195 N ASN A 12 8.501 16.760 -6.487 1.00 1.11 N ATOM 196 CA ASN A 12 7.638 17.623 -5.626 1.00 25.02 C ATOM 197 C ASN A 12 6.329 18.123 -6.322 1.00 62.42 C ATOM 198 O ASN A 12 5.678 19.056 -5.836 1.00 31.00 O ATOM 199 CB ASN A 12 8.469 18.819 -5.061 1.00 3.43 C ATOM 200 CG ASN A 12 9.563 18.381 -4.077 1.00 1.41 C ATOM 201 OD1 ASN A 12 9.403 17.407 -3.348 1.00 3.44 O ATOM 202 ND2 ASN A 12 10.682 19.076 -4.056 1.00 52.14 N ATOM 0 H ASN A 12 8.698 15.850 -6.071 1.00 1.11 H new ATOM 0 HA ASN A 12 7.298 16.992 -4.805 1.00 25.02 H new ATOM 0 HB2 ASN A 12 8.929 19.358 -5.890 1.00 3.43 H new ATOM 0 HB3 ASN A 12 7.797 19.516 -4.561 1.00 3.43 H new ATOM 0 HD21 ASN A 12 11.437 18.808 -3.425 1.00 52.14 H new ATOM 0 HD22 ASN A 12 10.793 19.882 -4.671 1.00 52.14 H new ATOM 209 N ARG A 13 5.927 17.463 -7.426 1.00 12.14 N ATOM 210 CA ARG A 13 4.736 17.856 -8.231 1.00 10.43 C ATOM 211 C ARG A 13 3.419 17.259 -7.656 1.00 31.22 C ATOM 212 O ARG A 13 2.346 17.541 -8.185 1.00 65.14 O ATOM 213 CB ARG A 13 4.924 17.434 -9.728 1.00 51.14 C ATOM 214 CG ARG A 13 4.600 15.948 -10.074 1.00 73.23 C ATOM 215 CD ARG A 13 5.540 14.923 -9.415 1.00 61.45 C ATOM 216 NE ARG A 13 5.089 13.546 -9.663 1.00 33.13 N ATOM 217 CZ ARG A 13 5.335 12.837 -10.747 1.00 5.04 C ATOM 218 NH1 ARG A 13 6.121 13.271 -11.690 1.00 42.02 N ATOM 219 NH2 ARG A 13 4.795 11.669 -10.866 1.00 43.12 N ATOM 0 H ARG A 13 6.412 16.643 -7.791 1.00 12.14 H new ATOM 0 HA ARG A 13 4.650 18.941 -8.177 1.00 10.43 H new ATOM 0 HB2 ARG A 13 4.294 18.074 -10.345 1.00 51.14 H new ATOM 0 HB3 ARG A 13 5.957 17.634 -10.012 1.00 51.14 H new ATOM 0 HG2 ARG A 13 3.576 15.732 -9.770 1.00 73.23 H new ATOM 0 HG3 ARG A 13 4.645 15.821 -11.156 1.00 73.23 H new ATOM 0 HD2 ARG A 13 6.551 15.052 -9.802 1.00 61.45 H new ATOM 0 HD3 ARG A 13 5.585 15.105 -8.341 1.00 61.45 H new ATOM 0 HE ARG A 13 4.536 13.099 -8.931 1.00 33.13 H new ATOM 0 HH11 ARG A 13 6.567 14.184 -11.602 1.00 42.02 H new ATOM 0 HH12 ARG A 13 6.291 12.698 -12.516 1.00 42.02 H new ATOM 0 HH21 ARG A 13 4.190 11.310 -10.128 1.00 43.12 H new ATOM 0 HH22 ARG A 13 4.974 11.107 -11.698 1.00 43.12 H new ATOM 233 N THR A 14 3.549 16.415 -6.591 1.00 54.25 N ATOM 234 CA THR A 14 2.425 15.699 -5.906 1.00 0.13 C ATOM 235 C THR A 14 1.966 14.430 -6.686 1.00 4.43 C ATOM 236 O THR A 14 1.535 14.510 -7.839 1.00 20.00 O ATOM 237 CB THR A 14 1.174 16.616 -5.589 1.00 42.21 C ATOM 238 OG1 THR A 14 1.589 17.753 -4.810 1.00 75.51 O ATOM 239 CG2 THR A 14 0.059 15.864 -4.827 1.00 51.34 C ATOM 0 H THR A 14 4.457 16.208 -6.174 1.00 54.25 H new ATOM 0 HA THR A 14 2.848 15.392 -4.949 1.00 0.13 H new ATOM 0 HB THR A 14 0.763 16.933 -6.548 1.00 42.21 H new ATOM 0 HG1 THR A 14 0.812 18.319 -4.617 1.00 75.51 H new ATOM 0 HG21 THR A 14 -0.773 16.542 -4.637 1.00 51.34 H new ATOM 0 HG22 THR A 14 -0.288 15.023 -5.427 1.00 51.34 H new ATOM 0 HG23 THR A 14 0.451 15.496 -3.879 1.00 51.34 H new ATOM 247 N THR A 15 2.085 13.262 -6.023 1.00 73.30 N ATOM 248 CA THR A 15 1.538 11.957 -6.490 1.00 53.13 C ATOM 249 C THR A 15 1.131 11.120 -5.251 1.00 43.33 C ATOM 250 O THR A 15 -0.017 10.683 -5.115 1.00 61.23 O ATOM 251 CB THR A 15 2.573 11.149 -7.365 1.00 64.40 C ATOM 252 OG1 THR A 15 2.961 11.923 -8.516 1.00 1.41 O ATOM 253 CG2 THR A 15 2.014 9.791 -7.840 1.00 74.51 C ATOM 0 H THR A 15 2.572 13.190 -5.130 1.00 73.30 H new ATOM 0 HA THR A 15 0.674 12.157 -7.124 1.00 53.13 H new ATOM 0 HB THR A 15 3.436 10.953 -6.728 1.00 64.40 H new ATOM 0 HG1 THR A 15 2.458 12.764 -8.529 1.00 1.41 H new ATOM 0 HG21 THR A 15 2.767 9.277 -8.438 1.00 74.51 H new ATOM 0 HG22 THR A 15 1.758 9.180 -6.974 1.00 74.51 H new ATOM 0 HG23 THR A 15 1.122 9.956 -8.444 1.00 74.51 H new ATOM 261 N PHE A 16 2.114 10.906 -4.351 1.00 2.20 N ATOM 262 CA PHE A 16 1.900 10.327 -3.004 1.00 10.32 C ATOM 263 C PHE A 16 2.542 11.263 -1.945 1.00 22.15 C ATOM 264 O PHE A 16 3.709 11.663 -2.100 1.00 23.42 O ATOM 265 CB PHE A 16 2.530 8.910 -2.879 1.00 40.21 C ATOM 266 CG PHE A 16 2.002 7.844 -3.852 1.00 12.45 C ATOM 267 CD1 PHE A 16 0.717 7.316 -3.710 1.00 14.10 C ATOM 268 CD2 PHE A 16 2.800 7.339 -4.884 1.00 2.02 C ATOM 269 CE1 PHE A 16 0.250 6.328 -4.564 1.00 0.03 C ATOM 270 CE2 PHE A 16 2.330 6.356 -5.739 1.00 70.41 C ATOM 271 CZ PHE A 16 1.056 5.849 -5.577 1.00 22.42 C ATOM 0 H PHE A 16 3.090 11.132 -4.540 1.00 2.20 H new ATOM 0 HA PHE A 16 0.826 10.235 -2.841 1.00 10.32 H new ATOM 0 HB2 PHE A 16 3.607 9.000 -3.021 1.00 40.21 H new ATOM 0 HB3 PHE A 16 2.372 8.553 -1.861 1.00 40.21 H new ATOM 0 HD1 PHE A 16 0.076 7.683 -2.922 1.00 14.10 H new ATOM 0 HD2 PHE A 16 3.801 7.723 -5.016 1.00 2.02 H new ATOM 0 HE1 PHE A 16 -0.747 5.932 -4.436 1.00 0.03 H new ATOM 0 HE2 PHE A 16 2.961 5.986 -6.533 1.00 70.41 H new ATOM 0 HZ PHE A 16 0.691 5.080 -6.241 1.00 22.42 H new ATOM 281 N THR A 17 1.784 11.619 -0.887 1.00 53.12 N ATOM 282 CA THR A 17 2.310 12.435 0.243 1.00 44.44 C ATOM 283 C THR A 17 3.152 11.569 1.197 1.00 73.31 C ATOM 284 O THR A 17 3.128 10.338 1.101 1.00 23.11 O ATOM 285 CB THR A 17 1.167 13.118 1.078 1.00 53.52 C ATOM 286 OG1 THR A 17 0.406 12.134 1.806 1.00 24.32 O ATOM 287 CG2 THR A 17 0.225 13.938 0.179 1.00 44.31 C ATOM 0 H THR A 17 0.803 11.357 -0.786 1.00 53.12 H new ATOM 0 HA THR A 17 2.924 13.214 -0.209 1.00 44.44 H new ATOM 0 HB THR A 17 1.646 13.795 1.785 1.00 53.52 H new ATOM 0 HG1 THR A 17 -0.299 12.580 2.320 1.00 24.32 H new ATOM 0 HG21 THR A 17 -0.553 14.396 0.789 1.00 44.31 H new ATOM 0 HG22 THR A 17 0.794 14.717 -0.329 1.00 44.31 H new ATOM 0 HG23 THR A 17 -0.234 13.282 -0.561 1.00 44.31 H new ATOM 295 N SER A 18 3.884 12.219 2.127 1.00 52.43 N ATOM 296 CA SER A 18 4.675 11.506 3.168 1.00 43.35 C ATOM 297 C SER A 18 3.770 10.564 3.997 1.00 14.33 C ATOM 298 O SER A 18 4.073 9.384 4.149 1.00 43.31 O ATOM 299 CB SER A 18 5.386 12.513 4.109 1.00 12.11 C ATOM 300 OG SER A 18 6.205 11.848 5.073 1.00 41.03 O ATOM 0 H SER A 18 3.947 13.235 2.183 1.00 52.43 H new ATOM 0 HA SER A 18 5.431 10.909 2.658 1.00 43.35 H new ATOM 0 HB2 SER A 18 5.999 13.193 3.518 1.00 12.11 H new ATOM 0 HB3 SER A 18 4.640 13.120 4.622 1.00 12.11 H new ATOM 0 HG SER A 18 5.635 11.405 5.736 1.00 41.03 H new ATOM 306 N TYR A 19 2.640 11.115 4.492 1.00 54.31 N ATOM 307 CA TYR A 19 1.596 10.358 5.233 1.00 1.12 C ATOM 308 C TYR A 19 1.149 9.070 4.484 1.00 51.14 C ATOM 309 O TYR A 19 1.123 7.978 5.074 1.00 13.10 O ATOM 310 CB TYR A 19 0.369 11.278 5.492 1.00 55.04 C ATOM 311 CG TYR A 19 -0.848 10.566 6.112 1.00 33.22 C ATOM 312 CD1 TYR A 19 -0.863 10.190 7.461 1.00 12.31 C ATOM 313 CD2 TYR A 19 -1.975 10.250 5.340 1.00 55.14 C ATOM 314 CE1 TYR A 19 -1.951 9.535 8.010 1.00 34.24 C ATOM 315 CE2 TYR A 19 -3.060 9.598 5.888 1.00 73.05 C ATOM 316 CZ TYR A 19 -3.046 9.243 7.223 1.00 33.33 C ATOM 317 OH TYR A 19 -4.130 8.597 7.773 1.00 21.15 O ATOM 0 H TYR A 19 2.421 12.106 4.390 1.00 54.31 H new ATOM 0 HA TYR A 19 2.032 10.041 6.180 1.00 1.12 H new ATOM 0 HB2 TYR A 19 0.673 12.090 6.152 1.00 55.04 H new ATOM 0 HB3 TYR A 19 0.066 11.731 4.548 1.00 55.04 H new ATOM 0 HD1 TYR A 19 -0.010 10.415 8.084 1.00 12.31 H new ATOM 0 HD2 TYR A 19 -1.994 10.523 4.295 1.00 55.14 H new ATOM 0 HE1 TYR A 19 -1.943 9.253 9.052 1.00 34.24 H new ATOM 0 HE2 TYR A 19 -3.918 9.366 5.275 1.00 73.05 H new ATOM 0 HH TYR A 19 -4.713 8.269 7.057 1.00 21.15 H new ATOM 327 N GLN A 20 0.796 9.229 3.189 1.00 5.24 N ATOM 328 CA GLN A 20 0.360 8.104 2.324 1.00 75.42 C ATOM 329 C GLN A 20 1.466 7.030 2.205 1.00 63.42 C ATOM 330 O GLN A 20 1.220 5.869 2.499 1.00 11.02 O ATOM 331 CB GLN A 20 -0.069 8.625 0.921 1.00 20.43 C ATOM 332 CG GLN A 20 -1.300 9.556 0.950 1.00 31.52 C ATOM 333 CD GLN A 20 -1.707 10.105 -0.424 1.00 0.14 C ATOM 334 OE1 GLN A 20 -0.884 10.279 -1.313 1.00 23.40 O ATOM 335 NE2 GLN A 20 -2.980 10.405 -0.601 1.00 50.11 N ATOM 0 H GLN A 20 0.804 10.132 2.715 1.00 5.24 H new ATOM 0 HA GLN A 20 -0.506 7.634 2.791 1.00 75.42 H new ATOM 0 HB2 GLN A 20 0.768 9.159 0.471 1.00 20.43 H new ATOM 0 HB3 GLN A 20 -0.286 7.772 0.278 1.00 20.43 H new ATOM 0 HG2 GLN A 20 -2.143 9.012 1.375 1.00 31.52 H new ATOM 0 HG3 GLN A 20 -1.092 10.393 1.616 1.00 31.52 H new ATOM 0 HE21 GLN A 20 -3.650 10.252 0.153 1.00 50.11 H new ATOM 0 HE22 GLN A 20 -3.294 10.790 -1.492 1.00 50.11 H new ATOM 344 N LEU A 21 2.693 7.463 1.848 1.00 42.33 N ATOM 345 CA LEU A 21 3.883 6.578 1.698 1.00 34.41 C ATOM 346 C LEU A 21 4.195 5.761 2.982 1.00 64.54 C ATOM 347 O LEU A 21 4.578 4.592 2.895 1.00 54.54 O ATOM 348 CB LEU A 21 5.130 7.429 1.310 1.00 32.11 C ATOM 349 CG LEU A 21 5.114 8.046 -0.125 1.00 32.31 C ATOM 350 CD1 LEU A 21 6.261 9.061 -0.320 1.00 72.34 C ATOM 351 CD2 LEU A 21 5.160 6.938 -1.202 1.00 20.14 C ATOM 0 H LEU A 21 2.895 8.444 1.653 1.00 42.33 H new ATOM 0 HA LEU A 21 3.647 5.864 0.909 1.00 34.41 H new ATOM 0 HB2 LEU A 21 5.232 8.239 2.032 1.00 32.11 H new ATOM 0 HB3 LEU A 21 6.017 6.803 1.406 1.00 32.11 H new ATOM 0 HG LEU A 21 4.176 8.590 -0.240 1.00 32.31 H new ATOM 0 HD11 LEU A 21 6.218 9.469 -1.330 1.00 72.34 H new ATOM 0 HD12 LEU A 21 6.158 9.870 0.403 1.00 72.34 H new ATOM 0 HD13 LEU A 21 7.218 8.561 -0.171 1.00 72.34 H new ATOM 0 HD21 LEU A 21 5.148 7.393 -2.193 1.00 20.14 H new ATOM 0 HD22 LEU A 21 6.071 6.352 -1.083 1.00 20.14 H new ATOM 0 HD23 LEU A 21 4.293 6.287 -1.091 1.00 20.14 H new ATOM 363 N GLU A 22 4.024 6.396 4.157 1.00 15.31 N ATOM 364 CA GLU A 22 4.318 5.775 5.471 1.00 62.33 C ATOM 365 C GLU A 22 3.262 4.712 5.855 1.00 25.01 C ATOM 366 O GLU A 22 3.617 3.656 6.374 1.00 23.50 O ATOM 367 CB GLU A 22 4.420 6.868 6.569 1.00 32.35 C ATOM 368 CG GLU A 22 5.585 7.855 6.376 1.00 3.44 C ATOM 369 CD GLU A 22 5.590 8.991 7.415 1.00 32.22 C ATOM 370 OE1 GLU A 22 4.876 10.000 7.220 1.00 3.11 O ATOM 371 OE2 GLU A 22 6.301 8.877 8.434 1.00 71.11 O ATOM 0 H GLU A 22 3.679 7.353 4.227 1.00 15.31 H new ATOM 0 HA GLU A 22 5.277 5.263 5.390 1.00 62.33 H new ATOM 0 HB2 GLU A 22 3.485 7.428 6.595 1.00 32.35 H new ATOM 0 HB3 GLU A 22 4.528 6.383 7.539 1.00 32.35 H new ATOM 0 HG2 GLU A 22 6.528 7.311 6.436 1.00 3.44 H new ATOM 0 HG3 GLU A 22 5.528 8.285 5.376 1.00 3.44 H new ATOM 378 N GLU A 23 1.973 5.011 5.602 1.00 15.14 N ATOM 379 CA GLU A 23 0.860 4.043 5.811 1.00 41.02 C ATOM 380 C GLU A 23 0.937 2.855 4.813 1.00 54.31 C ATOM 381 O GLU A 23 0.632 1.715 5.170 1.00 2.12 O ATOM 382 CB GLU A 23 -0.509 4.766 5.690 1.00 45.34 C ATOM 383 CG GLU A 23 -0.874 5.692 6.875 1.00 42.14 C ATOM 384 CD GLU A 23 -1.161 4.917 8.181 1.00 42.11 C ATOM 385 OE1 GLU A 23 -2.188 4.208 8.247 1.00 41.31 O ATOM 386 OE2 GLU A 23 -0.373 5.006 9.140 1.00 73.42 O ATOM 0 H GLU A 23 1.668 5.919 5.250 1.00 15.14 H new ATOM 0 HA GLU A 23 0.959 3.633 6.816 1.00 41.02 H new ATOM 0 HB2 GLU A 23 -0.509 5.357 4.774 1.00 45.34 H new ATOM 0 HB3 GLU A 23 -1.291 4.014 5.584 1.00 45.34 H new ATOM 0 HG2 GLU A 23 -0.057 6.392 7.047 1.00 42.14 H new ATOM 0 HG3 GLU A 23 -1.750 6.284 6.610 1.00 42.14 H new ATOM 393 N LEU A 24 1.342 3.148 3.563 1.00 45.45 N ATOM 394 CA LEU A 24 1.561 2.124 2.511 1.00 5.25 C ATOM 395 C LEU A 24 2.696 1.152 2.922 1.00 74.15 C ATOM 396 O LEU A 24 2.549 -0.070 2.831 1.00 40.43 O ATOM 397 CB LEU A 24 1.910 2.818 1.160 1.00 24.33 C ATOM 398 CG LEU A 24 0.757 3.594 0.435 1.00 21.32 C ATOM 399 CD1 LEU A 24 1.318 4.534 -0.658 1.00 60.41 C ATOM 400 CD2 LEU A 24 -0.293 2.629 -0.158 1.00 40.21 C ATOM 0 H LEU A 24 1.528 4.100 3.249 1.00 45.45 H new ATOM 0 HA LEU A 24 0.644 1.548 2.390 1.00 5.25 H new ATOM 0 HB2 LEU A 24 2.727 3.517 1.340 1.00 24.33 H new ATOM 0 HB3 LEU A 24 2.287 2.057 0.477 1.00 24.33 H new ATOM 0 HG LEU A 24 0.257 4.206 1.186 1.00 21.32 H new ATOM 0 HD11 LEU A 24 0.495 5.059 -1.144 1.00 60.41 H new ATOM 0 HD12 LEU A 24 1.993 5.259 -0.203 1.00 60.41 H new ATOM 0 HD13 LEU A 24 1.862 3.947 -1.398 1.00 60.41 H new ATOM 0 HD21 LEU A 24 -1.077 3.203 -0.653 1.00 40.21 H new ATOM 0 HD22 LEU A 24 0.186 1.970 -0.882 1.00 40.21 H new ATOM 0 HD23 LEU A 24 -0.731 2.032 0.642 1.00 40.21 H new ATOM 412 N GLU A 25 3.828 1.728 3.381 1.00 42.40 N ATOM 413 CA GLU A 25 5.013 0.978 3.808 1.00 54.34 C ATOM 414 C GLU A 25 4.760 0.200 5.122 1.00 72.23 C ATOM 415 O GLU A 25 5.327 -0.860 5.337 1.00 22.22 O ATOM 416 CB GLU A 25 6.197 1.957 3.976 1.00 31.43 C ATOM 417 CG GLU A 25 7.551 1.261 4.115 1.00 24.34 C ATOM 418 CD GLU A 25 8.709 2.222 4.422 1.00 51.43 C ATOM 419 OE1 GLU A 25 9.085 3.015 3.535 1.00 32.52 O ATOM 420 OE2 GLU A 25 9.246 2.192 5.552 1.00 64.44 O ATOM 0 H GLU A 25 3.939 2.739 3.464 1.00 42.40 H new ATOM 0 HA GLU A 25 5.249 0.239 3.042 1.00 54.34 H new ATOM 0 HB2 GLU A 25 6.229 2.627 3.117 1.00 31.43 H new ATOM 0 HB3 GLU A 25 6.024 2.576 4.856 1.00 31.43 H new ATOM 0 HG2 GLU A 25 7.488 0.517 4.909 1.00 24.34 H new ATOM 0 HG3 GLU A 25 7.770 0.724 3.192 1.00 24.34 H new ATOM 427 N LYS A 26 3.908 0.767 5.978 1.00 44.11 N ATOM 428 CA LYS A 26 3.398 0.127 7.216 1.00 63.21 C ATOM 429 C LYS A 26 2.737 -1.248 6.916 1.00 43.00 C ATOM 430 O LYS A 26 2.999 -2.242 7.607 1.00 13.02 O ATOM 431 CB LYS A 26 2.400 1.125 7.860 1.00 34.24 C ATOM 432 CG LYS A 26 1.421 0.592 8.929 1.00 64.43 C ATOM 433 CD LYS A 26 0.386 1.690 9.294 1.00 62.23 C ATOM 434 CE LYS A 26 -0.718 1.235 10.253 1.00 70.43 C ATOM 435 NZ LYS A 26 -1.710 2.320 10.489 1.00 35.04 N ATOM 0 H LYS A 26 3.538 1.707 5.836 1.00 44.11 H new ATOM 0 HA LYS A 26 4.215 -0.087 7.906 1.00 63.21 H new ATOM 0 HB2 LYS A 26 2.979 1.930 8.311 1.00 34.24 H new ATOM 0 HB3 LYS A 26 1.809 1.568 7.059 1.00 34.24 H new ATOM 0 HG2 LYS A 26 0.908 -0.294 8.555 1.00 64.43 H new ATOM 0 HG3 LYS A 26 1.972 0.289 9.820 1.00 64.43 H new ATOM 0 HD2 LYS A 26 0.913 2.533 9.742 1.00 62.23 H new ATOM 0 HD3 LYS A 26 -0.076 2.054 8.376 1.00 62.23 H new ATOM 0 HE2 LYS A 26 -1.223 0.361 9.842 1.00 70.43 H new ATOM 0 HE3 LYS A 26 -0.276 0.931 11.202 1.00 70.43 H new ATOM 0 HZ1 LYS A 26 -2.631 1.902 10.732 1.00 35.04 H new ATOM 0 HZ2 LYS A 26 -1.386 2.922 11.273 1.00 35.04 H new ATOM 0 HZ3 LYS A 26 -1.807 2.895 9.628 1.00 35.04 H new ATOM 449 N VAL A 27 1.901 -1.288 5.860 1.00 4.13 N ATOM 450 CA VAL A 27 1.269 -2.537 5.368 1.00 53.21 C ATOM 451 C VAL A 27 2.279 -3.393 4.543 1.00 63.32 C ATOM 452 O VAL A 27 2.161 -4.615 4.504 1.00 33.10 O ATOM 453 CB VAL A 27 -0.020 -2.200 4.523 1.00 51.43 C ATOM 454 CG1 VAL A 27 -0.725 -3.472 3.971 1.00 62.20 C ATOM 455 CG2 VAL A 27 -1.011 -1.343 5.358 1.00 4.45 C ATOM 0 H VAL A 27 1.643 -0.460 5.323 1.00 4.13 H new ATOM 0 HA VAL A 27 0.968 -3.133 6.230 1.00 53.21 H new ATOM 0 HB VAL A 27 0.310 -1.623 3.659 1.00 51.43 H new ATOM 0 HG11 VAL A 27 -1.605 -3.180 3.398 1.00 62.20 H new ATOM 0 HG12 VAL A 27 -0.037 -4.019 3.326 1.00 62.20 H new ATOM 0 HG13 VAL A 27 -1.028 -4.110 4.802 1.00 62.20 H new ATOM 0 HG21 VAL A 27 -1.894 -1.120 4.759 1.00 4.45 H new ATOM 0 HG22 VAL A 27 -1.308 -1.895 6.250 1.00 4.45 H new ATOM 0 HG23 VAL A 27 -0.528 -0.411 5.652 1.00 4.45 H new ATOM 465 N PHE A 28 3.287 -2.735 3.923 1.00 2.23 N ATOM 466 CA PHE A 28 4.363 -3.414 3.137 1.00 54.05 C ATOM 467 C PHE A 28 5.329 -4.219 4.058 1.00 64.23 C ATOM 468 O PHE A 28 5.866 -5.261 3.650 1.00 32.43 O ATOM 469 CB PHE A 28 5.143 -2.370 2.291 1.00 63.11 C ATOM 470 CG PHE A 28 6.187 -2.945 1.326 1.00 44.51 C ATOM 471 CD1 PHE A 28 5.796 -3.553 0.130 1.00 14.43 C ATOM 472 CD2 PHE A 28 7.557 -2.873 1.602 1.00 35.43 C ATOM 473 CE1 PHE A 28 6.728 -4.065 -0.753 1.00 43.04 C ATOM 474 CE2 PHE A 28 8.493 -3.387 0.717 1.00 24.32 C ATOM 475 CZ PHE A 28 8.076 -3.984 -0.459 1.00 51.03 C ATOM 0 H PHE A 28 3.384 -1.720 3.949 1.00 2.23 H new ATOM 0 HA PHE A 28 3.890 -4.130 2.465 1.00 54.05 H new ATOM 0 HB2 PHE A 28 4.425 -1.786 1.715 1.00 63.11 H new ATOM 0 HB3 PHE A 28 5.644 -1.680 2.970 1.00 63.11 H new ATOM 0 HD1 PHE A 28 4.745 -3.624 -0.109 1.00 14.43 H new ATOM 0 HD2 PHE A 28 7.891 -2.410 2.519 1.00 35.43 H new ATOM 0 HE1 PHE A 28 6.403 -4.528 -1.673 1.00 43.04 H new ATOM 0 HE2 PHE A 28 9.546 -3.321 0.946 1.00 24.32 H new ATOM 0 HZ PHE A 28 8.804 -4.387 -1.148 1.00 51.03 H new ATOM 485 N GLN A 29 5.544 -3.723 5.299 1.00 22.21 N ATOM 486 CA GLN A 29 6.356 -4.431 6.324 1.00 3.22 C ATOM 487 C GLN A 29 5.605 -5.672 6.863 1.00 42.43 C ATOM 488 O GLN A 29 6.228 -6.652 7.289 1.00 75.12 O ATOM 489 CB GLN A 29 6.718 -3.484 7.507 1.00 72.32 C ATOM 490 CG GLN A 29 7.532 -2.220 7.138 1.00 22.53 C ATOM 491 CD GLN A 29 8.863 -2.492 6.428 1.00 74.44 C ATOM 492 OE1 GLN A 29 9.322 -1.543 5.627 1.00 74.14 O flip ATOM 493 NE2 GLN A 29 9.495 -3.528 6.621 1.00 50.22 N flip ATOM 0 H GLN A 29 5.166 -2.831 5.618 1.00 22.21 H new ATOM 0 HA GLN A 29 7.278 -4.756 5.841 1.00 3.22 H new ATOM 0 HB2 GLN A 29 5.793 -3.169 7.990 1.00 72.32 H new ATOM 0 HB3 GLN A 29 7.284 -4.055 8.243 1.00 72.32 H new ATOM 0 HG2 GLN A 29 6.919 -1.585 6.498 1.00 22.53 H new ATOM 0 HG3 GLN A 29 7.732 -1.656 8.049 1.00 22.53 H new ATOM 0 HE21 GLN A 29 9.121 -4.245 7.243 1.00 50.22 H new ATOM 0 HE22 GLN A 29 10.393 -3.671 6.160 1.00 50.22 H new ATOM 502 N LYS A 30 4.262 -5.602 6.852 1.00 33.23 N ATOM 503 CA LYS A 30 3.383 -6.718 7.263 1.00 25.14 C ATOM 504 C LYS A 30 3.191 -7.744 6.113 1.00 2.50 C ATOM 505 O LYS A 30 3.087 -8.951 6.361 1.00 20.35 O ATOM 506 CB LYS A 30 2.008 -6.170 7.719 1.00 24.32 C ATOM 507 CG LYS A 30 2.067 -5.203 8.922 1.00 22.20 C ATOM 508 CD LYS A 30 0.663 -4.824 9.449 1.00 13.10 C ATOM 509 CE LYS A 30 0.720 -3.860 10.650 1.00 25.33 C ATOM 510 NZ LYS A 30 -0.616 -3.653 11.262 1.00 75.14 N ATOM 0 H LYS A 30 3.752 -4.769 6.558 1.00 33.23 H new ATOM 0 HA LYS A 30 3.863 -7.233 8.095 1.00 25.14 H new ATOM 0 HB2 LYS A 30 1.540 -5.656 6.879 1.00 24.32 H new ATOM 0 HB3 LYS A 30 1.364 -7.011 7.977 1.00 24.32 H new ATOM 0 HG2 LYS A 30 2.641 -5.664 9.726 1.00 22.20 H new ATOM 0 HG3 LYS A 30 2.598 -4.297 8.630 1.00 22.20 H new ATOM 0 HD2 LYS A 30 0.090 -4.363 8.645 1.00 13.10 H new ATOM 0 HD3 LYS A 30 0.132 -5.730 9.740 1.00 13.10 H new ATOM 0 HE2 LYS A 30 1.405 -4.256 11.400 1.00 25.33 H new ATOM 0 HE3 LYS A 30 1.123 -2.900 10.326 1.00 25.33 H new ATOM 0 HZ1 LYS A 30 -0.532 -2.998 12.066 1.00 75.14 H new ATOM 0 HZ2 LYS A 30 -1.264 -3.251 10.554 1.00 75.14 H new ATOM 0 HZ3 LYS A 30 -0.990 -4.564 11.595 1.00 75.14 H new ATOM 524 N THR A 31 3.139 -7.242 4.860 1.00 74.14 N ATOM 525 CA THR A 31 2.984 -8.076 3.643 1.00 41.32 C ATOM 526 C THR A 31 3.425 -7.304 2.378 1.00 52.11 C ATOM 527 O THR A 31 3.063 -6.149 2.186 1.00 34.54 O ATOM 528 CB THR A 31 1.524 -8.620 3.447 1.00 14.11 C ATOM 529 OG1 THR A 31 1.465 -9.438 2.263 1.00 31.11 O ATOM 530 CG2 THR A 31 0.462 -7.504 3.352 1.00 24.11 C ATOM 0 H THR A 31 3.203 -6.244 4.661 1.00 74.14 H new ATOM 0 HA THR A 31 3.635 -8.938 3.791 1.00 41.32 H new ATOM 0 HB THR A 31 1.289 -9.207 4.335 1.00 14.11 H new ATOM 0 HG1 THR A 31 0.819 -9.056 1.633 1.00 31.11 H new ATOM 0 HG21 THR A 31 -0.523 -7.950 3.217 1.00 24.11 H new ATOM 0 HG22 THR A 31 0.471 -6.914 4.269 1.00 24.11 H new ATOM 0 HG23 THR A 31 0.687 -6.859 2.503 1.00 24.11 H new ATOM 538 N HIS A 32 4.207 -7.967 1.512 1.00 72.21 N ATOM 539 CA HIS A 32 4.742 -7.364 0.265 1.00 13.11 C ATOM 540 C HIS A 32 3.710 -7.406 -0.894 1.00 2.34 C ATOM 541 O HIS A 32 3.913 -6.787 -1.945 1.00 21.54 O ATOM 542 CB HIS A 32 6.047 -8.092 -0.136 1.00 32.23 C ATOM 543 CG HIS A 32 7.147 -7.964 0.884 1.00 10.11 C ATOM 544 ND1 HIS A 32 7.183 -8.689 2.055 1.00 72.24 N ATOM 545 CD2 HIS A 32 8.244 -7.177 0.909 1.00 75.32 C ATOM 546 CE1 HIS A 32 8.248 -8.352 2.749 1.00 30.34 C ATOM 547 NE2 HIS A 32 8.909 -7.436 2.083 1.00 2.51 N ATOM 0 H HIS A 32 4.491 -8.937 1.650 1.00 72.21 H new ATOM 0 HA HIS A 32 4.953 -6.312 0.458 1.00 13.11 H new ATOM 0 HB2 HIS A 32 5.830 -9.149 -0.293 1.00 32.23 H new ATOM 0 HB3 HIS A 32 6.398 -7.693 -1.088 1.00 32.23 H new ATOM 0 HD2 HIS A 32 8.544 -6.473 0.146 1.00 75.32 H new ATOM 0 HE1 HIS A 32 8.531 -8.761 3.708 1.00 30.34 H new ATOM 0 HE2 HIS A 32 9.774 -6.989 2.387 1.00 2.51 H new ATOM 556 N TYR A 33 2.605 -8.132 -0.668 1.00 51.24 N ATOM 557 CA TYR A 33 1.503 -8.308 -1.630 1.00 13.14 C ATOM 558 C TYR A 33 0.154 -8.156 -0.867 1.00 40.21 C ATOM 559 O TYR A 33 -0.223 -9.043 -0.089 1.00 74.44 O ATOM 560 CB TYR A 33 1.629 -9.692 -2.362 1.00 34.23 C ATOM 561 CG TYR A 33 1.725 -10.947 -1.455 1.00 53.51 C ATOM 562 CD1 TYR A 33 2.812 -11.142 -0.590 1.00 3.52 C ATOM 563 CD2 TYR A 33 0.730 -11.937 -1.461 1.00 3.30 C ATOM 564 CE1 TYR A 33 2.905 -12.255 0.223 1.00 32.44 C ATOM 565 CE2 TYR A 33 0.822 -13.055 -0.647 1.00 1.31 C ATOM 566 CZ TYR A 33 1.909 -13.209 0.192 1.00 71.44 C ATOM 567 OH TYR A 33 2.001 -14.321 1.011 1.00 3.22 O ATOM 0 H TYR A 33 2.448 -8.626 0.210 1.00 51.24 H new ATOM 0 HA TYR A 33 1.547 -7.545 -2.407 1.00 13.14 H new ATOM 0 HB2 TYR A 33 0.767 -9.811 -3.019 1.00 34.23 H new ATOM 0 HB3 TYR A 33 2.513 -9.662 -2.999 1.00 34.23 H new ATOM 0 HD1 TYR A 33 3.598 -10.402 -0.559 1.00 3.52 H new ATOM 0 HD2 TYR A 33 -0.124 -11.825 -2.113 1.00 3.30 H new ATOM 0 HE1 TYR A 33 3.753 -12.378 0.880 1.00 32.44 H new ATOM 0 HE2 TYR A 33 0.045 -13.805 -0.668 1.00 1.31 H new ATOM 0 HH TYR A 33 1.220 -14.896 0.871 1.00 3.22 H new ATOM 577 N PRO A 34 -0.595 -7.019 -1.055 1.00 11.24 N ATOM 578 CA PRO A 34 -1.754 -6.688 -0.194 1.00 4.20 C ATOM 579 C PRO A 34 -2.985 -7.603 -0.460 1.00 23.41 C ATOM 580 O PRO A 34 -3.430 -7.750 -1.607 1.00 71.53 O ATOM 581 CB PRO A 34 -2.038 -5.200 -0.542 1.00 4.31 C ATOM 582 CG PRO A 34 -1.594 -5.063 -1.973 1.00 55.12 C ATOM 583 CD PRO A 34 -0.405 -6.009 -2.130 1.00 44.40 C ATOM 0 HA PRO A 34 -1.547 -6.846 0.864 1.00 4.20 H new ATOM 0 HB2 PRO A 34 -3.095 -4.959 -0.428 1.00 4.31 H new ATOM 0 HB3 PRO A 34 -1.486 -4.526 0.112 1.00 4.31 H new ATOM 0 HG2 PRO A 34 -2.398 -5.328 -2.659 1.00 55.12 H new ATOM 0 HG3 PRO A 34 -1.309 -4.035 -2.198 1.00 55.12 H new ATOM 0 HD2 PRO A 34 -0.394 -6.474 -3.116 1.00 44.40 H new ATOM 0 HD3 PRO A 34 0.542 -5.481 -2.017 1.00 44.40 H new ATOM 591 N ASP A 35 -3.492 -8.238 0.617 1.00 3.02 N ATOM 592 CA ASP A 35 -4.752 -9.020 0.594 1.00 31.43 C ATOM 593 C ASP A 35 -5.943 -8.115 0.199 1.00 30.11 C ATOM 594 O ASP A 35 -5.856 -6.890 0.336 1.00 14.43 O ATOM 595 CB ASP A 35 -5.017 -9.628 1.989 1.00 11.01 C ATOM 596 CG ASP A 35 -3.856 -10.480 2.506 1.00 13.53 C ATOM 597 OD1 ASP A 35 -2.901 -9.916 3.081 1.00 52.43 O ATOM 598 OD2 ASP A 35 -3.878 -11.717 2.326 1.00 74.21 O ATOM 0 H ASP A 35 -3.040 -8.225 1.531 1.00 3.02 H new ATOM 0 HA ASP A 35 -4.650 -9.817 -0.142 1.00 31.43 H new ATOM 0 HB2 ASP A 35 -5.212 -8.823 2.698 1.00 11.01 H new ATOM 0 HB3 ASP A 35 -5.918 -10.240 1.946 1.00 11.01 H new ATOM 603 N VAL A 36 -7.054 -8.723 -0.251 1.00 65.42 N ATOM 604 CA VAL A 36 -8.246 -7.965 -0.713 1.00 73.13 C ATOM 605 C VAL A 36 -8.747 -6.944 0.348 1.00 2.23 C ATOM 606 O VAL A 36 -9.029 -5.796 0.012 1.00 5.21 O ATOM 607 CB VAL A 36 -9.417 -8.921 -1.160 1.00 11.04 C ATOM 608 CG1 VAL A 36 -9.899 -9.832 -0.004 1.00 15.10 C ATOM 609 CG2 VAL A 36 -10.599 -8.128 -1.786 1.00 73.55 C ATOM 0 H VAL A 36 -7.158 -9.736 -0.307 1.00 65.42 H new ATOM 0 HA VAL A 36 -7.922 -7.399 -1.586 1.00 73.13 H new ATOM 0 HB VAL A 36 -9.012 -9.573 -1.934 1.00 11.04 H new ATOM 0 HG11 VAL A 36 -10.706 -10.473 -0.358 1.00 15.10 H new ATOM 0 HG12 VAL A 36 -9.070 -10.450 0.342 1.00 15.10 H new ATOM 0 HG13 VAL A 36 -10.260 -9.215 0.819 1.00 15.10 H new ATOM 0 HG21 VAL A 36 -11.386 -8.821 -2.082 1.00 73.55 H new ATOM 0 HG22 VAL A 36 -10.992 -7.423 -1.054 1.00 73.55 H new ATOM 0 HG23 VAL A 36 -10.248 -7.583 -2.662 1.00 73.55 H new ATOM 619 N TYR A 37 -8.780 -7.364 1.633 1.00 54.22 N ATOM 620 CA TYR A 37 -9.225 -6.508 2.756 1.00 20.14 C ATOM 621 C TYR A 37 -8.091 -5.568 3.250 1.00 25.02 C ATOM 622 O TYR A 37 -8.365 -4.474 3.768 1.00 34.11 O ATOM 623 CB TYR A 37 -9.764 -7.384 3.920 1.00 11.25 C ATOM 624 CG TYR A 37 -10.558 -6.590 4.973 1.00 4.24 C ATOM 625 CD1 TYR A 37 -11.863 -6.165 4.707 1.00 2.11 C ATOM 626 CD2 TYR A 37 -10.005 -6.235 6.211 1.00 63.41 C ATOM 627 CE1 TYR A 37 -12.586 -5.434 5.633 1.00 2.14 C ATOM 628 CE2 TYR A 37 -10.727 -5.500 7.135 1.00 10.21 C ATOM 629 CZ TYR A 37 -12.012 -5.099 6.840 1.00 45.14 C ATOM 630 OH TYR A 37 -12.727 -4.361 7.759 1.00 52.21 O ATOM 0 H TYR A 37 -8.500 -8.302 1.920 1.00 54.22 H new ATOM 0 HA TYR A 37 -10.033 -5.873 2.391 1.00 20.14 H new ATOM 0 HB2 TYR A 37 -10.403 -8.166 3.509 1.00 11.25 H new ATOM 0 HB3 TYR A 37 -8.925 -7.881 4.408 1.00 11.25 H new ATOM 0 HD1 TYR A 37 -12.316 -6.413 3.759 1.00 2.11 H new ATOM 0 HD2 TYR A 37 -8.997 -6.541 6.448 1.00 63.41 H new ATOM 0 HE1 TYR A 37 -13.597 -5.127 5.410 1.00 2.14 H new ATOM 0 HE2 TYR A 37 -10.284 -5.241 8.085 1.00 10.21 H new ATOM 0 HH TYR A 37 -12.287 -4.413 8.633 1.00 52.21 H new ATOM 640 N ALA A 38 -6.822 -6.008 3.094 1.00 14.51 N ATOM 641 CA ALA A 38 -5.627 -5.174 3.408 1.00 34.42 C ATOM 642 C ALA A 38 -5.601 -3.874 2.571 1.00 51.13 C ATOM 643 O ALA A 38 -5.227 -2.814 3.075 1.00 22.30 O ATOM 644 CB ALA A 38 -4.332 -5.970 3.191 1.00 30.04 C ATOM 0 H ALA A 38 -6.593 -6.941 2.751 1.00 14.51 H new ATOM 0 HA ALA A 38 -5.696 -4.895 4.459 1.00 34.42 H new ATOM 0 HB1 ALA A 38 -3.474 -5.340 3.427 1.00 30.04 H new ATOM 0 HB2 ALA A 38 -4.329 -6.845 3.841 1.00 30.04 H new ATOM 0 HB3 ALA A 38 -4.272 -6.291 2.151 1.00 30.04 H new ATOM 650 N ARG A 39 -6.033 -3.982 1.296 1.00 33.31 N ATOM 651 CA ARG A 39 -6.171 -2.822 0.378 1.00 21.01 C ATOM 652 C ARG A 39 -7.240 -1.836 0.895 1.00 21.41 C ATOM 653 O ARG A 39 -7.064 -0.630 0.792 1.00 75.01 O ATOM 654 CB ARG A 39 -6.602 -3.282 -1.036 1.00 53.52 C ATOM 655 CG ARG A 39 -5.768 -4.418 -1.659 1.00 71.00 C ATOM 656 CD ARG A 39 -6.412 -4.961 -2.952 1.00 63.30 C ATOM 657 NE ARG A 39 -7.871 -5.163 -2.805 1.00 13.44 N ATOM 658 CZ ARG A 39 -8.714 -5.396 -3.781 1.00 54.00 C ATOM 659 NH1 ARG A 39 -8.307 -5.646 -4.992 1.00 54.15 N ATOM 660 NH2 ARG A 39 -9.976 -5.372 -3.523 1.00 73.54 N ATOM 0 H ARG A 39 -6.296 -4.871 0.872 1.00 33.31 H new ATOM 0 HA ARG A 39 -5.197 -2.335 0.334 1.00 21.01 H new ATOM 0 HB2 ARG A 39 -7.642 -3.604 -0.990 1.00 53.52 H new ATOM 0 HB3 ARG A 39 -6.564 -2.421 -1.704 1.00 53.52 H new ATOM 0 HG2 ARG A 39 -4.764 -4.054 -1.878 1.00 71.00 H new ATOM 0 HG3 ARG A 39 -5.662 -5.228 -0.938 1.00 71.00 H new ATOM 0 HD2 ARG A 39 -6.223 -4.266 -3.770 1.00 63.30 H new ATOM 0 HD3 ARG A 39 -5.941 -5.906 -3.222 1.00 63.30 H new ATOM 0 HE ARG A 39 -8.254 -5.117 -1.861 1.00 13.44 H new ATOM 0 HH11 ARG A 39 -7.309 -5.664 -5.201 1.00 54.15 H new ATOM 0 HH12 ARG A 39 -8.986 -5.824 -5.732 1.00 54.15 H new ATOM 0 HH21 ARG A 39 -10.299 -5.175 -2.576 1.00 73.54 H new ATOM 0 HH22 ARG A 39 -10.652 -5.550 -4.266 1.00 73.54 H new ATOM 674 N GLU A 40 -8.351 -2.391 1.431 1.00 41.20 N ATOM 675 CA GLU A 40 -9.538 -1.604 1.855 1.00 54.25 C ATOM 676 C GLU A 40 -9.206 -0.650 3.029 1.00 64.33 C ATOM 677 O GLU A 40 -9.383 0.564 2.912 1.00 42.30 O ATOM 678 CB GLU A 40 -10.715 -2.544 2.244 1.00 14.11 C ATOM 679 CG GLU A 40 -11.062 -3.634 1.201 1.00 13.23 C ATOM 680 CD GLU A 40 -11.289 -3.102 -0.229 1.00 40.40 C ATOM 681 OE1 GLU A 40 -12.276 -2.364 -0.437 1.00 61.22 O ATOM 682 OE2 GLU A 40 -10.475 -3.410 -1.141 1.00 15.42 O ATOM 0 H GLU A 40 -8.453 -3.395 1.583 1.00 41.20 H new ATOM 0 HA GLU A 40 -9.840 -0.994 1.004 1.00 54.25 H new ATOM 0 HB2 GLU A 40 -10.472 -3.032 3.188 1.00 14.11 H new ATOM 0 HB3 GLU A 40 -11.602 -1.935 2.418 1.00 14.11 H new ATOM 0 HG2 GLU A 40 -10.256 -4.367 1.179 1.00 13.23 H new ATOM 0 HG3 GLU A 40 -11.960 -4.158 1.527 1.00 13.23 H new ATOM 689 N GLN A 41 -8.706 -1.223 4.143 1.00 2.15 N ATOM 690 CA GLN A 41 -8.274 -0.456 5.345 1.00 55.32 C ATOM 691 C GLN A 41 -7.161 0.568 5.008 1.00 75.35 C ATOM 692 O GLN A 41 -7.158 1.693 5.522 1.00 32.11 O ATOM 693 CB GLN A 41 -7.782 -1.443 6.439 1.00 63.31 C ATOM 694 CG GLN A 41 -8.898 -2.292 7.089 1.00 11.22 C ATOM 695 CD GLN A 41 -9.838 -1.487 8.005 1.00 33.21 C ATOM 696 OE1 GLN A 41 -9.436 -0.500 8.618 1.00 33.40 O ATOM 697 NE2 GLN A 41 -11.087 -1.903 8.122 1.00 21.04 N ATOM 0 H GLN A 41 -8.588 -2.231 4.241 1.00 2.15 H new ATOM 0 HA GLN A 41 -9.131 0.107 5.713 1.00 55.32 H new ATOM 0 HB2 GLN A 41 -7.043 -2.113 5.999 1.00 63.31 H new ATOM 0 HB3 GLN A 41 -7.274 -0.876 7.219 1.00 63.31 H new ATOM 0 HG2 GLN A 41 -9.488 -2.763 6.303 1.00 11.22 H new ATOM 0 HG3 GLN A 41 -8.441 -3.094 7.668 1.00 11.22 H new ATOM 0 HE21 GLN A 41 -11.402 -2.724 7.605 1.00 21.04 H new ATOM 0 HE22 GLN A 41 -11.736 -1.403 8.729 1.00 21.04 H new ATOM 706 N LEU A 42 -6.230 0.155 4.132 1.00 25.21 N ATOM 707 CA LEU A 42 -5.113 1.006 3.668 1.00 63.42 C ATOM 708 C LEU A 42 -5.617 2.189 2.798 1.00 71.10 C ATOM 709 O LEU A 42 -5.145 3.313 2.945 1.00 11.41 O ATOM 710 CB LEU A 42 -4.088 0.133 2.894 1.00 0.01 C ATOM 711 CG LEU A 42 -2.826 0.849 2.324 1.00 11.25 C ATOM 712 CD1 LEU A 42 -2.118 1.698 3.401 1.00 61.45 C ATOM 713 CD2 LEU A 42 -1.854 -0.181 1.699 1.00 2.15 C ATOM 0 H LEU A 42 -6.228 -0.779 3.723 1.00 25.21 H new ATOM 0 HA LEU A 42 -4.623 1.444 4.537 1.00 63.42 H new ATOM 0 HB2 LEU A 42 -3.753 -0.663 3.559 1.00 0.01 H new ATOM 0 HB3 LEU A 42 -4.609 -0.343 2.064 1.00 0.01 H new ATOM 0 HG LEU A 42 -3.155 1.531 1.540 1.00 11.25 H new ATOM 0 HD11 LEU A 42 -1.243 2.182 2.966 1.00 61.45 H new ATOM 0 HD12 LEU A 42 -2.804 2.458 3.775 1.00 61.45 H new ATOM 0 HD13 LEU A 42 -1.806 1.055 4.224 1.00 61.45 H new ATOM 0 HD21 LEU A 42 -0.979 0.336 1.306 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -1.542 -0.895 2.461 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -2.356 -0.710 0.889 1.00 2.15 H new ATOM 725 N ALA A 43 -6.603 1.920 1.927 1.00 12.41 N ATOM 726 CA ALA A 43 -7.192 2.935 1.014 1.00 71.35 C ATOM 727 C ALA A 43 -8.072 3.946 1.785 1.00 3.45 C ATOM 728 O ALA A 43 -8.157 5.114 1.416 1.00 54.53 O ATOM 729 CB ALA A 43 -8.010 2.239 -0.089 1.00 65.23 C ATOM 0 H ALA A 43 -7.020 0.994 1.830 1.00 12.41 H new ATOM 0 HA ALA A 43 -6.376 3.492 0.555 1.00 71.35 H new ATOM 0 HB1 ALA A 43 -8.438 2.990 -0.753 1.00 65.23 H new ATOM 0 HB2 ALA A 43 -7.360 1.577 -0.661 1.00 65.23 H new ATOM 0 HB3 ALA A 43 -8.812 1.657 0.365 1.00 65.23 H new ATOM 735 N MET A 44 -8.734 3.468 2.855 1.00 61.13 N ATOM 736 CA MET A 44 -9.543 4.321 3.765 1.00 61.44 C ATOM 737 C MET A 44 -8.648 5.223 4.654 1.00 3.13 C ATOM 738 O MET A 44 -9.097 6.268 5.129 1.00 52.43 O ATOM 739 CB MET A 44 -10.467 3.443 4.646 1.00 20.45 C ATOM 740 CG MET A 44 -11.599 2.747 3.872 1.00 32.30 C ATOM 741 SD MET A 44 -12.742 3.926 3.107 1.00 0.13 S ATOM 742 CE MET A 44 -14.004 2.840 2.428 1.00 42.05 C ATOM 0 H MET A 44 -8.727 2.483 3.118 1.00 61.13 H new ATOM 0 HA MET A 44 -10.157 4.975 3.145 1.00 61.44 H new ATOM 0 HB2 MET A 44 -9.863 2.685 5.144 1.00 20.45 H new ATOM 0 HB3 MET A 44 -10.905 4.065 5.427 1.00 20.45 H new ATOM 0 HG2 MET A 44 -11.168 2.110 3.100 1.00 32.30 H new ATOM 0 HG3 MET A 44 -12.152 2.097 4.550 1.00 32.30 H new ATOM 0 HE1 MET A 44 -14.768 3.437 1.930 1.00 42.05 H new ATOM 0 HE2 MET A 44 -13.549 2.159 1.709 1.00 42.05 H new ATOM 0 HE3 MET A 44 -14.461 2.265 3.233 1.00 42.05 H new ATOM 752 N ARG A 45 -7.395 4.793 4.891 1.00 63.02 N ATOM 753 CA ARG A 45 -6.397 5.571 5.663 1.00 43.23 C ATOM 754 C ARG A 45 -5.674 6.616 4.775 1.00 1.52 C ATOM 755 O ARG A 45 -5.558 7.783 5.152 1.00 55.03 O ATOM 756 CB ARG A 45 -5.373 4.602 6.365 1.00 21.55 C ATOM 757 CG ARG A 45 -5.590 4.441 7.892 1.00 52.42 C ATOM 758 CD ARG A 45 -5.367 5.774 8.640 1.00 23.11 C ATOM 759 NE ARG A 45 -5.564 5.673 10.093 1.00 4.40 N ATOM 760 CZ ARG A 45 -5.232 6.600 10.967 1.00 3.52 C ATOM 761 NH1 ARG A 45 -4.638 7.700 10.599 1.00 33.33 N ATOM 762 NH2 ARG A 45 -5.504 6.416 12.216 1.00 54.22 N ATOM 0 H ARG A 45 -7.042 3.897 4.555 1.00 63.02 H new ATOM 0 HA ARG A 45 -6.926 6.127 6.437 1.00 43.23 H new ATOM 0 HB2 ARG A 45 -5.439 3.621 5.895 1.00 21.55 H new ATOM 0 HB3 ARG A 45 -4.363 4.972 6.191 1.00 21.55 H new ATOM 0 HG2 ARG A 45 -6.602 4.082 8.081 1.00 52.42 H new ATOM 0 HG3 ARG A 45 -4.906 3.686 8.280 1.00 52.42 H new ATOM 0 HD2 ARG A 45 -4.355 6.127 8.443 1.00 23.11 H new ATOM 0 HD3 ARG A 45 -6.050 6.524 8.240 1.00 23.11 H new ATOM 0 HE ARG A 45 -5.991 4.819 10.452 1.00 4.40 H new ATOM 0 HH11 ARG A 45 -4.420 7.857 9.615 1.00 33.33 H new ATOM 0 HH12 ARG A 45 -4.391 8.403 11.295 1.00 33.33 H new ATOM 0 HH21 ARG A 45 -5.971 5.560 12.516 1.00 54.22 H new ATOM 0 HH22 ARG A 45 -5.252 7.127 12.903 1.00 54.22 H new ATOM 776 N THR A 46 -5.206 6.184 3.595 1.00 54.12 N ATOM 777 CA THR A 46 -4.382 7.022 2.678 1.00 14.50 C ATOM 778 C THR A 46 -5.229 7.849 1.687 1.00 62.32 C ATOM 779 O THR A 46 -4.689 8.739 1.021 1.00 60.20 O ATOM 780 CB THR A 46 -3.393 6.136 1.854 1.00 24.45 C ATOM 781 OG1 THR A 46 -4.124 5.166 1.076 1.00 4.14 O ATOM 782 CG2 THR A 46 -2.385 5.413 2.759 1.00 70.24 C ATOM 0 H THR A 46 -5.382 5.245 3.239 1.00 54.12 H new ATOM 0 HA THR A 46 -3.837 7.712 3.322 1.00 14.50 H new ATOM 0 HB THR A 46 -2.837 6.799 1.190 1.00 24.45 H new ATOM 0 HG1 THR A 46 -4.478 4.471 1.669 1.00 4.14 H new ATOM 0 HG21 THR A 46 -1.716 4.808 2.147 1.00 70.24 H new ATOM 0 HG22 THR A 46 -1.803 6.148 3.315 1.00 70.24 H new ATOM 0 HG23 THR A 46 -2.920 4.769 3.458 1.00 70.24 H new ATOM 790 N ASP A 47 -6.539 7.511 1.575 1.00 10.12 N ATOM 791 CA ASP A 47 -7.492 8.136 0.611 1.00 14.41 C ATOM 792 C ASP A 47 -7.141 7.761 -0.878 1.00 3.32 C ATOM 793 O ASP A 47 -7.674 8.340 -1.830 1.00 3.23 O ATOM 794 CB ASP A 47 -7.577 9.683 0.854 1.00 0.30 C ATOM 795 CG ASP A 47 -8.646 10.411 0.019 1.00 54.04 C ATOM 796 OD1 ASP A 47 -9.834 10.030 0.093 1.00 15.50 O ATOM 797 OD2 ASP A 47 -8.308 11.389 -0.690 1.00 15.11 O ATOM 0 H ASP A 47 -6.971 6.791 2.155 1.00 10.12 H new ATOM 0 HA ASP A 47 -8.487 7.729 0.789 1.00 14.41 H new ATOM 0 HB2 ASP A 47 -7.779 9.860 1.910 1.00 0.30 H new ATOM 0 HB3 ASP A 47 -6.604 10.124 0.637 1.00 0.30 H new ATOM 802 N LEU A 48 -6.281 6.735 -1.066 1.00 13.01 N ATOM 803 CA LEU A 48 -5.833 6.279 -2.406 1.00 10.10 C ATOM 804 C LEU A 48 -6.799 5.235 -3.008 1.00 1.12 C ATOM 805 O LEU A 48 -7.536 4.564 -2.288 1.00 21.52 O ATOM 806 CB LEU A 48 -4.398 5.689 -2.310 1.00 23.00 C ATOM 807 CG LEU A 48 -3.277 6.708 -1.934 1.00 51.32 C ATOM 808 CD1 LEU A 48 -1.945 5.989 -1.647 1.00 54.51 C ATOM 809 CD2 LEU A 48 -3.114 7.785 -3.037 1.00 64.14 C ATOM 0 H LEU A 48 -5.878 6.200 -0.297 1.00 13.01 H new ATOM 0 HA LEU A 48 -5.828 7.144 -3.070 1.00 10.10 H new ATOM 0 HB2 LEU A 48 -4.401 4.889 -1.569 1.00 23.00 H new ATOM 0 HB3 LEU A 48 -4.146 5.235 -3.268 1.00 23.00 H new ATOM 0 HG LEU A 48 -3.578 7.216 -1.018 1.00 51.32 H new ATOM 0 HD11 LEU A 48 -1.183 6.724 -1.388 1.00 54.51 H new ATOM 0 HD12 LEU A 48 -2.077 5.296 -0.816 1.00 54.51 H new ATOM 0 HD13 LEU A 48 -1.631 5.438 -2.533 1.00 54.51 H new ATOM 0 HD21 LEU A 48 -2.327 8.483 -2.751 1.00 64.14 H new ATOM 0 HD22 LEU A 48 -2.848 7.304 -3.978 1.00 64.14 H new ATOM 0 HD23 LEU A 48 -4.052 8.326 -3.158 1.00 64.14 H new ATOM 821 N THR A 49 -6.780 5.118 -4.345 1.00 22.12 N ATOM 822 CA THR A 49 -7.581 4.118 -5.094 1.00 33.04 C ATOM 823 C THR A 49 -6.982 2.695 -4.948 1.00 31.31 C ATOM 824 O THR A 49 -5.761 2.547 -4.834 1.00 3.25 O ATOM 825 CB THR A 49 -7.665 4.516 -6.610 1.00 34.34 C ATOM 826 OG1 THR A 49 -8.256 5.821 -6.726 1.00 2.54 O ATOM 827 CG2 THR A 49 -8.478 3.515 -7.464 1.00 52.14 C ATOM 0 H THR A 49 -6.209 5.713 -4.945 1.00 22.12 H new ATOM 0 HA THR A 49 -8.586 4.107 -4.671 1.00 33.04 H new ATOM 0 HB THR A 49 -6.645 4.508 -6.994 1.00 34.34 H new ATOM 0 HG1 THR A 49 -8.308 6.074 -7.671 1.00 2.54 H new ATOM 0 HG21 THR A 49 -8.495 3.851 -8.501 1.00 52.14 H new ATOM 0 HG22 THR A 49 -8.014 2.530 -7.410 1.00 52.14 H new ATOM 0 HG23 THR A 49 -9.498 3.457 -7.084 1.00 52.14 H new ATOM 835 N GLU A 50 -7.873 1.678 -4.949 1.00 33.22 N ATOM 836 CA GLU A 50 -7.528 0.227 -4.933 1.00 14.44 C ATOM 837 C GLU A 50 -6.353 -0.124 -5.891 1.00 42.34 C ATOM 838 O GLU A 50 -5.406 -0.826 -5.504 1.00 20.33 O ATOM 839 CB GLU A 50 -8.795 -0.565 -5.353 1.00 51.31 C ATOM 840 CG GLU A 50 -8.646 -2.097 -5.391 1.00 73.03 C ATOM 841 CD GLU A 50 -9.892 -2.790 -5.973 1.00 33.44 C ATOM 842 OE1 GLU A 50 -10.835 -3.084 -5.213 1.00 22.44 O ATOM 843 OE2 GLU A 50 -9.932 -3.030 -7.196 1.00 63.13 O ATOM 0 H GLU A 50 -8.880 1.842 -4.961 1.00 33.22 H new ATOM 0 HA GLU A 50 -7.200 -0.039 -3.928 1.00 14.44 H new ATOM 0 HB2 GLU A 50 -9.602 -0.314 -4.664 1.00 51.31 H new ATOM 0 HB3 GLU A 50 -9.102 -0.224 -6.342 1.00 51.31 H new ATOM 0 HG2 GLU A 50 -7.774 -2.360 -5.989 1.00 73.03 H new ATOM 0 HG3 GLU A 50 -8.465 -2.468 -4.382 1.00 73.03 H new ATOM 850 N ALA A 51 -6.442 0.385 -7.138 1.00 23.33 N ATOM 851 CA ALA A 51 -5.384 0.223 -8.160 1.00 23.32 C ATOM 852 C ALA A 51 -4.029 0.804 -7.681 1.00 4.33 C ATOM 853 O ALA A 51 -3.019 0.113 -7.699 1.00 5.34 O ATOM 854 CB ALA A 51 -5.822 0.891 -9.474 1.00 42.12 C ATOM 0 H ALA A 51 -7.247 0.919 -7.465 1.00 23.33 H new ATOM 0 HA ALA A 51 -5.238 -0.844 -8.329 1.00 23.32 H new ATOM 0 HB1 ALA A 51 -5.039 0.769 -10.223 1.00 42.12 H new ATOM 0 HB2 ALA A 51 -6.741 0.425 -9.830 1.00 42.12 H new ATOM 0 HB3 ALA A 51 -5.997 1.953 -9.302 1.00 42.12 H new ATOM 860 N ARG A 52 -4.042 2.064 -7.203 1.00 51.11 N ATOM 861 CA ARG A 52 -2.806 2.790 -6.776 1.00 32.33 C ATOM 862 C ARG A 52 -2.145 2.154 -5.523 1.00 22.02 C ATOM 863 O ARG A 52 -0.946 2.334 -5.301 1.00 53.22 O ATOM 864 CB ARG A 52 -3.092 4.307 -6.538 1.00 42.40 C ATOM 865 CG ARG A 52 -3.223 5.169 -7.827 1.00 4.22 C ATOM 866 CD ARG A 52 -4.467 4.836 -8.675 1.00 50.44 C ATOM 867 NE ARG A 52 -4.488 5.570 -9.953 1.00 14.45 N ATOM 868 CZ ARG A 52 -5.551 6.088 -10.533 1.00 50.44 C ATOM 869 NH1 ARG A 52 -6.723 6.053 -9.972 1.00 44.21 N ATOM 870 NH2 ARG A 52 -5.422 6.659 -11.681 1.00 55.12 N ATOM 0 H ARG A 52 -4.896 2.612 -7.098 1.00 51.11 H new ATOM 0 HA ARG A 52 -2.095 2.697 -7.597 1.00 32.33 H new ATOM 0 HB2 ARG A 52 -4.013 4.400 -5.963 1.00 42.40 H new ATOM 0 HB3 ARG A 52 -2.291 4.719 -5.925 1.00 42.40 H new ATOM 0 HG2 ARG A 52 -3.257 6.222 -7.547 1.00 4.22 H new ATOM 0 HG3 ARG A 52 -2.331 5.030 -8.438 1.00 4.22 H new ATOM 0 HD2 ARG A 52 -4.492 3.765 -8.874 1.00 50.44 H new ATOM 0 HD3 ARG A 52 -5.366 5.076 -8.107 1.00 50.44 H new ATOM 0 HE ARG A 52 -3.596 5.688 -10.433 1.00 14.45 H new ATOM 0 HH11 ARG A 52 -6.838 5.616 -9.058 1.00 44.21 H new ATOM 0 HH12 ARG A 52 -7.528 6.463 -10.446 1.00 44.21 H new ATOM 0 HH21 ARG A 52 -4.506 6.705 -12.128 1.00 55.12 H new ATOM 0 HH22 ARG A 52 -6.236 7.065 -12.143 1.00 55.12 H new ATOM 884 N VAL A 53 -2.941 1.423 -4.713 1.00 50.31 N ATOM 885 CA VAL A 53 -2.421 0.603 -3.593 1.00 4.25 C ATOM 886 C VAL A 53 -1.537 -0.548 -4.143 1.00 61.01 C ATOM 887 O VAL A 53 -0.339 -0.594 -3.888 1.00 63.44 O ATOM 888 CB VAL A 53 -3.601 0.014 -2.721 1.00 40.41 C ATOM 889 CG1 VAL A 53 -3.083 -1.004 -1.666 1.00 2.22 C ATOM 890 CG2 VAL A 53 -4.415 1.153 -2.043 1.00 11.02 C ATOM 0 H VAL A 53 -3.955 1.383 -4.814 1.00 50.31 H new ATOM 0 HA VAL A 53 -1.816 1.246 -2.953 1.00 4.25 H new ATOM 0 HB VAL A 53 -4.267 -0.525 -3.395 1.00 40.41 H new ATOM 0 HG11 VAL A 53 -3.923 -1.387 -1.086 1.00 2.22 H new ATOM 0 HG12 VAL A 53 -2.585 -1.831 -2.172 1.00 2.22 H new ATOM 0 HG13 VAL A 53 -2.377 -0.509 -0.999 1.00 2.22 H new ATOM 0 HG21 VAL A 53 -5.220 0.721 -1.449 1.00 11.02 H new ATOM 0 HG22 VAL A 53 -3.758 1.734 -1.395 1.00 11.02 H new ATOM 0 HG23 VAL A 53 -4.838 1.804 -2.809 1.00 11.02 H new ATOM 900 N GLN A 54 -2.153 -1.425 -4.956 1.00 64.53 N ATOM 901 CA GLN A 54 -1.506 -2.648 -5.502 1.00 52.22 C ATOM 902 C GLN A 54 -0.293 -2.315 -6.411 1.00 11.42 C ATOM 903 O GLN A 54 0.759 -2.954 -6.312 1.00 34.10 O ATOM 904 CB GLN A 54 -2.564 -3.478 -6.277 1.00 42.11 C ATOM 905 CG GLN A 54 -3.764 -3.913 -5.413 1.00 23.51 C ATOM 906 CD GLN A 54 -4.880 -4.597 -6.211 1.00 5.33 C ATOM 907 OE1 GLN A 54 -5.800 -3.949 -6.696 1.00 11.20 O ATOM 908 NE2 GLN A 54 -4.813 -5.909 -6.348 1.00 31.40 N ATOM 0 H GLN A 54 -3.120 -1.311 -5.259 1.00 64.53 H new ATOM 0 HA GLN A 54 -1.117 -3.231 -4.668 1.00 52.22 H new ATOM 0 HB2 GLN A 54 -2.928 -2.890 -7.119 1.00 42.11 H new ATOM 0 HB3 GLN A 54 -2.085 -4.365 -6.691 1.00 42.11 H new ATOM 0 HG2 GLN A 54 -3.414 -4.594 -4.637 1.00 23.51 H new ATOM 0 HG3 GLN A 54 -4.174 -3.038 -4.908 1.00 23.51 H new ATOM 0 HE21 GLN A 54 -4.037 -6.426 -5.935 1.00 31.40 H new ATOM 0 HE22 GLN A 54 -5.537 -6.405 -6.867 1.00 31.40 H new ATOM 917 N VAL A 55 -0.470 -1.294 -7.268 1.00 1.23 N ATOM 918 CA VAL A 55 0.583 -0.755 -8.163 1.00 0.11 C ATOM 919 C VAL A 55 1.813 -0.250 -7.365 1.00 15.13 C ATOM 920 O VAL A 55 2.958 -0.493 -7.766 1.00 4.41 O ATOM 921 CB VAL A 55 -0.006 0.392 -9.078 1.00 14.04 C ATOM 922 CG1 VAL A 55 1.096 1.230 -9.781 1.00 70.25 C ATOM 923 CG2 VAL A 55 -0.986 -0.200 -10.127 1.00 74.22 C ATOM 0 H VAL A 55 -1.362 -0.808 -7.364 1.00 1.23 H new ATOM 0 HA VAL A 55 0.925 -1.569 -8.801 1.00 0.11 H new ATOM 0 HB VAL A 55 -0.547 1.072 -8.419 1.00 14.04 H new ATOM 0 HG11 VAL A 55 0.631 2.001 -10.395 1.00 70.25 H new ATOM 0 HG12 VAL A 55 1.732 1.699 -9.030 1.00 70.25 H new ATOM 0 HG13 VAL A 55 1.700 0.579 -10.413 1.00 70.25 H new ATOM 0 HG21 VAL A 55 -1.382 0.603 -10.749 1.00 74.22 H new ATOM 0 HG22 VAL A 55 -0.457 -0.917 -10.755 1.00 74.22 H new ATOM 0 HG23 VAL A 55 -1.807 -0.702 -9.615 1.00 74.22 H new ATOM 933 N TRP A 56 1.562 0.429 -6.228 1.00 44.31 N ATOM 934 CA TRP A 56 2.639 0.941 -5.351 1.00 31.54 C ATOM 935 C TRP A 56 3.535 -0.216 -4.837 1.00 12.32 C ATOM 936 O TRP A 56 4.761 -0.124 -4.907 1.00 54.24 O ATOM 937 CB TRP A 56 2.049 1.737 -4.161 1.00 60.14 C ATOM 938 CG TRP A 56 3.096 2.398 -3.287 1.00 41.12 C ATOM 939 CD1 TRP A 56 3.661 3.627 -3.480 1.00 2.40 C ATOM 940 CD2 TRP A 56 3.712 1.861 -2.101 1.00 22.52 C ATOM 941 NE1 TRP A 56 4.560 3.895 -2.484 1.00 72.23 N ATOM 942 CE2 TRP A 56 4.610 2.832 -1.627 1.00 71.43 C ATOM 943 CE3 TRP A 56 3.579 0.663 -1.392 1.00 24.22 C ATOM 944 CZ2 TRP A 56 5.377 2.641 -0.483 1.00 12.12 C ATOM 945 CZ3 TRP A 56 4.338 0.470 -0.257 1.00 41.12 C ATOM 946 CH2 TRP A 56 5.224 1.459 0.192 1.00 2.30 C ATOM 0 H TRP A 56 0.621 0.637 -5.893 1.00 44.31 H new ATOM 0 HA TRP A 56 3.258 1.615 -5.943 1.00 31.54 H new ATOM 0 HB2 TRP A 56 1.375 2.502 -4.546 1.00 60.14 H new ATOM 0 HB3 TRP A 56 1.450 1.064 -3.548 1.00 60.14 H new ATOM 0 HD1 TRP A 56 3.431 4.291 -4.300 1.00 2.40 H new ATOM 0 HE1 TRP A 56 5.106 4.752 -2.395 1.00 72.23 H new ATOM 0 HE3 TRP A 56 2.892 -0.100 -1.728 1.00 24.22 H new ATOM 0 HZ2 TRP A 56 6.068 3.397 -0.139 1.00 12.12 H new ATOM 0 HZ3 TRP A 56 4.249 -0.455 0.293 1.00 41.12 H new ATOM 0 HH2 TRP A 56 5.799 1.285 1.090 1.00 2.30 H new ATOM 957 N PHE A 57 2.898 -1.302 -4.335 1.00 35.41 N ATOM 958 CA PHE A 57 3.610 -2.524 -3.859 1.00 44.34 C ATOM 959 C PHE A 57 4.449 -3.184 -4.988 1.00 51.31 C ATOM 960 O PHE A 57 5.520 -3.725 -4.720 1.00 42.54 O ATOM 961 CB PHE A 57 2.607 -3.558 -3.262 1.00 72.51 C ATOM 962 CG PHE A 57 2.041 -3.186 -1.886 1.00 33.14 C ATOM 963 CD1 PHE A 57 1.224 -2.076 -1.722 1.00 24.50 C ATOM 964 CD2 PHE A 57 2.328 -3.953 -0.753 1.00 54.31 C ATOM 965 CE1 PHE A 57 0.714 -1.737 -0.487 1.00 14.24 C ATOM 966 CE2 PHE A 57 1.816 -3.616 0.484 1.00 72.32 C ATOM 967 CZ PHE A 57 1.010 -2.509 0.617 1.00 34.11 C ATOM 0 H PHE A 57 1.883 -1.361 -4.247 1.00 35.41 H new ATOM 0 HA PHE A 57 4.297 -2.206 -3.075 1.00 44.34 H new ATOM 0 HB2 PHE A 57 1.778 -3.682 -3.959 1.00 72.51 H new ATOM 0 HB3 PHE A 57 3.106 -4.524 -3.185 1.00 72.51 H new ATOM 0 HD1 PHE A 57 0.983 -1.465 -2.580 1.00 24.50 H new ATOM 0 HD2 PHE A 57 2.961 -4.823 -0.847 1.00 54.31 H new ATOM 0 HE1 PHE A 57 0.083 -0.867 -0.384 1.00 14.24 H new ATOM 0 HE2 PHE A 57 2.048 -4.222 1.348 1.00 72.32 H new ATOM 0 HZ PHE A 57 0.610 -2.245 1.585 1.00 34.11 H new ATOM 977 N GLN A 58 3.958 -3.116 -6.243 1.00 73.11 N ATOM 978 CA GLN A 58 4.686 -3.636 -7.433 1.00 31.40 C ATOM 979 C GLN A 58 6.004 -2.853 -7.681 1.00 34.25 C ATOM 980 O GLN A 58 7.075 -3.453 -7.822 1.00 72.50 O ATOM 981 CB GLN A 58 3.765 -3.574 -8.686 1.00 14.11 C ATOM 982 CG GLN A 58 2.492 -4.445 -8.572 1.00 44.32 C ATOM 983 CD GLN A 58 1.474 -4.238 -9.698 1.00 30.40 C ATOM 984 OE1 GLN A 58 1.825 -3.919 -10.832 1.00 51.12 O ATOM 985 NE2 GLN A 58 0.202 -4.426 -9.392 1.00 44.54 N ATOM 0 H GLN A 58 3.052 -2.703 -6.466 1.00 73.11 H new ATOM 0 HA GLN A 58 4.956 -4.674 -7.241 1.00 31.40 H new ATOM 0 HB2 GLN A 58 3.471 -2.539 -8.858 1.00 14.11 H new ATOM 0 HB3 GLN A 58 4.334 -3.892 -9.559 1.00 14.11 H new ATOM 0 HG2 GLN A 58 2.786 -5.494 -8.555 1.00 44.32 H new ATOM 0 HG3 GLN A 58 2.007 -4.234 -7.619 1.00 44.32 H new ATOM 0 HE21 GLN A 58 -0.060 -4.690 -8.442 1.00 44.54 H new ATOM 0 HE22 GLN A 58 -0.517 -4.307 -10.105 1.00 44.54 H new ATOM 994 N ASN A 59 5.910 -1.506 -7.695 1.00 3.42 N ATOM 995 CA ASN A 59 7.092 -0.616 -7.880 1.00 54.02 C ATOM 996 C ASN A 59 7.988 -0.570 -6.611 1.00 2.25 C ATOM 997 O ASN A 59 9.177 -0.228 -6.694 1.00 23.23 O ATOM 998 CB ASN A 59 6.649 0.820 -8.267 1.00 13.24 C ATOM 999 CG ASN A 59 5.931 0.881 -9.619 1.00 61.32 C ATOM 1000 OD1 ASN A 59 6.563 0.963 -10.667 1.00 20.21 O ATOM 1001 ND2 ASN A 59 4.613 0.871 -9.612 1.00 32.11 N ATOM 0 H ASN A 59 5.029 -1.004 -7.581 1.00 3.42 H new ATOM 0 HA ASN A 59 7.682 -1.037 -8.694 1.00 54.02 H new ATOM 0 HB2 ASN A 59 5.989 1.212 -7.493 1.00 13.24 H new ATOM 0 HB3 ASN A 59 7.524 1.469 -8.297 1.00 13.24 H new ATOM 0 HD21 ASN A 59 4.098 0.932 -10.490 1.00 32.11 H new ATOM 0 HD22 ASN A 59 4.108 0.802 -8.728 1.00 32.11 H new ATOM 1008 N ARG A 60 7.417 -0.920 -5.445 1.00 20.31 N ATOM 1009 CA ARG A 60 8.161 -0.944 -4.167 1.00 61.11 C ATOM 1010 C ARG A 60 9.007 -2.231 -4.043 1.00 10.50 C ATOM 1011 O ARG A 60 10.093 -2.199 -3.468 1.00 74.44 O ATOM 1012 CB ARG A 60 7.199 -0.815 -2.953 1.00 73.54 C ATOM 1013 CG ARG A 60 7.903 -0.558 -1.591 1.00 61.23 C ATOM 1014 CD ARG A 60 8.364 0.907 -1.387 1.00 10.13 C ATOM 1015 NE ARG A 60 9.334 1.384 -2.387 1.00 53.11 N ATOM 1016 CZ ARG A 60 9.390 2.614 -2.865 1.00 22.23 C ATOM 1017 NH1 ARG A 60 8.547 3.532 -2.494 1.00 25.33 N ATOM 1018 NH2 ARG A 60 10.291 2.915 -3.727 1.00 33.00 N ATOM 0 H ARG A 60 6.438 -1.192 -5.358 1.00 20.31 H new ATOM 0 HA ARG A 60 8.833 -0.086 -4.164 1.00 61.11 H new ATOM 0 HB2 ARG A 60 6.501 -0.000 -3.145 1.00 73.54 H new ATOM 0 HB3 ARG A 60 6.609 -1.729 -2.875 1.00 73.54 H new ATOM 0 HG2 ARG A 60 7.222 -0.829 -0.785 1.00 61.23 H new ATOM 0 HG3 ARG A 60 8.769 -1.215 -1.511 1.00 61.23 H new ATOM 0 HD2 ARG A 60 7.489 1.557 -1.408 1.00 10.13 H new ATOM 0 HD3 ARG A 60 8.807 1.001 -0.395 1.00 10.13 H new ATOM 0 HE ARG A 60 10.016 0.712 -2.738 1.00 53.11 H new ATOM 0 HH11 ARG A 60 7.818 3.311 -1.816 1.00 25.33 H new ATOM 0 HH12 ARG A 60 8.615 4.473 -2.881 1.00 25.33 H new ATOM 0 HH21 ARG A 60 10.956 2.207 -4.038 1.00 33.00 H new ATOM 0 HH22 ARG A 60 10.342 3.862 -4.102 1.00 33.00 H new ATOM 1032 N ARG A 61 8.491 -3.364 -4.576 1.00 44.22 N ATOM 1033 CA ARG A 61 9.256 -4.641 -4.666 1.00 31.53 C ATOM 1034 C ARG A 61 10.436 -4.528 -5.665 1.00 52.43 C ATOM 1035 O ARG A 61 11.420 -5.274 -5.562 1.00 1.54 O ATOM 1036 CB ARG A 61 8.325 -5.828 -5.040 1.00 45.03 C ATOM 1037 CG ARG A 61 7.326 -6.220 -3.925 1.00 23.25 C ATOM 1038 CD ARG A 61 6.392 -7.378 -4.327 1.00 54.32 C ATOM 1039 NE ARG A 61 5.581 -7.064 -5.526 1.00 41.51 N ATOM 1040 CZ ARG A 61 4.270 -7.161 -5.613 1.00 5.04 C ATOM 1041 NH1 ARG A 61 3.541 -7.474 -4.585 1.00 53.53 N ATOM 1042 NH2 ARG A 61 3.692 -6.930 -6.739 1.00 4.40 N ATOM 0 H ARG A 61 7.545 -3.424 -4.953 1.00 44.22 H new ATOM 0 HA ARG A 61 9.676 -4.839 -3.680 1.00 31.53 H new ATOM 0 HB2 ARG A 61 7.766 -5.569 -5.939 1.00 45.03 H new ATOM 0 HB3 ARG A 61 8.939 -6.695 -5.285 1.00 45.03 H new ATOM 0 HG2 ARG A 61 7.882 -6.504 -3.031 1.00 23.25 H new ATOM 0 HG3 ARG A 61 6.724 -5.350 -3.663 1.00 23.25 H new ATOM 0 HD2 ARG A 61 6.987 -8.271 -4.519 1.00 54.32 H new ATOM 0 HD3 ARG A 61 5.728 -7.611 -3.494 1.00 54.32 H new ATOM 0 HE ARG A 61 6.081 -6.745 -6.356 1.00 41.51 H new ATOM 0 HH11 ARG A 61 3.982 -7.652 -3.682 1.00 53.53 H new ATOM 0 HH12 ARG A 61 2.528 -7.542 -4.680 1.00 53.53 H new ATOM 0 HH21 ARG A 61 4.248 -6.674 -7.555 1.00 4.40 H new ATOM 0 HH22 ARG A 61 2.678 -7.003 -6.816 1.00 4.40 H new ATOM 1056 N ALA A 62 10.327 -3.585 -6.625 1.00 15.52 N ATOM 1057 CA ALA A 62 11.429 -3.236 -7.553 1.00 24.44 C ATOM 1058 C ALA A 62 12.637 -2.621 -6.797 1.00 41.41 C ATOM 1059 O ALA A 62 13.779 -2.782 -7.215 1.00 45.15 O ATOM 1060 CB ALA A 62 10.920 -2.285 -8.651 1.00 12.42 C ATOM 0 H ALA A 62 9.476 -3.044 -6.780 1.00 15.52 H new ATOM 0 HA ALA A 62 11.778 -4.155 -8.025 1.00 24.44 H new ATOM 0 HB1 ALA A 62 11.739 -2.037 -9.326 1.00 12.42 H new ATOM 0 HB2 ALA A 62 10.122 -2.771 -9.212 1.00 12.42 H new ATOM 0 HB3 ALA A 62 10.537 -1.373 -8.193 1.00 12.42 H new ATOM 1066 N LYS A 63 12.354 -1.900 -5.692 1.00 40.45 N ATOM 1067 CA LYS A 63 13.389 -1.393 -4.753 1.00 52.41 C ATOM 1068 C LYS A 63 13.811 -2.473 -3.721 1.00 22.24 C ATOM 1069 O LYS A 63 15.001 -2.618 -3.420 1.00 43.51 O ATOM 1070 CB LYS A 63 12.866 -0.128 -4.007 1.00 52.13 C ATOM 1071 CG LYS A 63 13.023 1.204 -4.771 1.00 54.41 C ATOM 1072 CD LYS A 63 14.506 1.548 -5.052 1.00 65.04 C ATOM 1073 CE LYS A 63 14.715 3.015 -5.468 1.00 44.11 C ATOM 1074 NZ LYS A 63 13.897 3.396 -6.650 1.00 21.35 N ATOM 0 H LYS A 63 11.403 -1.650 -5.421 1.00 40.45 H new ATOM 0 HA LYS A 63 14.267 -1.133 -5.344 1.00 52.41 H new ATOM 0 HB2 LYS A 63 11.810 -0.273 -3.777 1.00 52.13 H new ATOM 0 HB3 LYS A 63 13.391 -0.045 -3.055 1.00 52.13 H new ATOM 0 HG2 LYS A 63 12.481 1.145 -5.715 1.00 54.41 H new ATOM 0 HG3 LYS A 63 12.569 2.008 -4.192 1.00 54.41 H new ATOM 0 HD2 LYS A 63 15.096 1.342 -4.159 1.00 65.04 H new ATOM 0 HD3 LYS A 63 14.881 0.896 -5.840 1.00 65.04 H new ATOM 0 HE2 LYS A 63 14.462 3.666 -4.631 1.00 44.11 H new ATOM 0 HE3 LYS A 63 15.769 3.179 -5.692 1.00 44.11 H new ATOM 0 HZ1 LYS A 63 14.113 4.377 -6.920 1.00 21.35 H new ATOM 0 HZ2 LYS A 63 14.118 2.762 -7.444 1.00 21.35 H new ATOM 0 HZ3 LYS A 63 12.887 3.316 -6.414 1.00 21.35 H new ATOM 1088 N TRP A 64 12.810 -3.204 -3.191 1.00 54.45 N ATOM 1089 CA TRP A 64 12.980 -4.221 -2.115 1.00 75.23 C ATOM 1090 C TRP A 64 14.001 -5.331 -2.504 1.00 53.14 C ATOM 1091 O TRP A 64 14.742 -5.836 -1.650 1.00 60.12 O ATOM 1092 CB TRP A 64 11.584 -4.812 -1.764 1.00 71.24 C ATOM 1093 CG TRP A 64 11.602 -6.007 -0.840 1.00 53.23 C ATOM 1094 CD1 TRP A 64 11.747 -6.014 0.520 1.00 25.51 C ATOM 1095 CD2 TRP A 64 11.481 -7.375 -1.238 1.00 73.05 C ATOM 1096 NE1 TRP A 64 11.716 -7.307 0.981 1.00 51.03 N ATOM 1097 CE2 TRP A 64 11.556 -8.157 -0.080 1.00 1.11 C ATOM 1098 CE3 TRP A 64 11.315 -7.996 -2.475 1.00 64.32 C ATOM 1099 CZ2 TRP A 64 11.472 -9.546 -0.119 1.00 11.25 C ATOM 1100 CZ3 TRP A 64 11.231 -9.373 -2.521 1.00 3.51 C ATOM 1101 CH2 TRP A 64 11.304 -10.137 -1.346 1.00 1.21 C ATOM 0 H TRP A 64 11.842 -3.108 -3.498 1.00 54.45 H new ATOM 0 HA TRP A 64 13.400 -3.737 -1.234 1.00 75.23 H new ATOM 0 HB2 TRP A 64 10.981 -4.028 -1.306 1.00 71.24 H new ATOM 0 HB3 TRP A 64 11.085 -5.097 -2.690 1.00 71.24 H new ATOM 0 HD1 TRP A 64 11.868 -5.136 1.137 1.00 25.51 H new ATOM 0 HE1 TRP A 64 11.799 -7.589 1.958 1.00 51.03 H new ATOM 0 HE3 TRP A 64 11.253 -7.411 -3.380 1.00 64.32 H new ATOM 0 HZ2 TRP A 64 11.537 -10.137 0.783 1.00 11.25 H new ATOM 0 HZ3 TRP A 64 11.108 -9.868 -3.473 1.00 3.51 H new ATOM 0 HH2 TRP A 64 11.226 -11.212 -1.409 1.00 1.21 H new ATOM 1112 N ARG A 65 14.008 -5.704 -3.791 1.00 44.24 N ATOM 1113 CA ARG A 65 15.013 -6.627 -4.359 1.00 20.22 C ATOM 1114 C ARG A 65 16.431 -5.988 -4.343 1.00 5.15 C ATOM 1115 O ARG A 65 16.694 -5.021 -5.067 1.00 60.30 O ATOM 1116 CB ARG A 65 14.599 -7.022 -5.805 1.00 70.51 C ATOM 1117 CG ARG A 65 13.348 -7.930 -5.885 1.00 50.45 C ATOM 1118 CD ARG A 65 12.921 -8.234 -7.334 1.00 64.42 C ATOM 1119 NE ARG A 65 12.345 -7.053 -8.016 1.00 74.43 N ATOM 1120 CZ ARG A 65 12.443 -6.787 -9.307 1.00 73.02 C ATOM 1121 NH1 ARG A 65 13.230 -7.461 -10.082 1.00 30.53 N ATOM 1122 NH2 ARG A 65 11.766 -5.812 -9.807 1.00 25.12 N ATOM 0 H ARG A 65 13.321 -5.378 -4.470 1.00 44.24 H new ATOM 0 HA ARG A 65 15.053 -7.526 -3.743 1.00 20.22 H new ATOM 0 HB2 ARG A 65 14.411 -6.114 -6.377 1.00 70.51 H new ATOM 0 HB3 ARG A 65 15.435 -7.533 -6.283 1.00 70.51 H new ATOM 0 HG2 ARG A 65 13.552 -8.867 -5.367 1.00 50.45 H new ATOM 0 HG3 ARG A 65 12.522 -7.449 -5.361 1.00 50.45 H new ATOM 0 HD2 ARG A 65 13.784 -8.589 -7.897 1.00 64.42 H new ATOM 0 HD3 ARG A 65 12.188 -9.041 -7.332 1.00 64.42 H new ATOM 0 HE ARG A 65 11.828 -6.388 -7.441 1.00 74.43 H new ATOM 0 HH11 ARG A 65 13.795 -8.220 -9.700 1.00 30.53 H new ATOM 0 HH12 ARG A 65 13.285 -7.234 -11.075 1.00 30.53 H new ATOM 0 HH21 ARG A 65 11.160 -5.252 -9.208 1.00 25.12 H new ATOM 0 HH22 ARG A 65 11.836 -5.600 -10.802 1.00 25.12 H new ATOM 1136 N LYS A 66 17.324 -6.533 -3.493 1.00 32.11 N ATOM 1137 CA LYS A 66 18.711 -6.030 -3.322 1.00 25.23 C ATOM 1138 C LYS A 66 19.595 -6.338 -4.558 1.00 61.05 C ATOM 1139 O LYS A 66 19.608 -7.468 -5.050 1.00 12.50 O ATOM 1140 CB LYS A 66 19.342 -6.662 -2.048 1.00 44.45 C ATOM 1141 CG LYS A 66 20.792 -6.211 -1.732 1.00 10.35 C ATOM 1142 CD LYS A 66 21.397 -6.915 -0.493 1.00 1.02 C ATOM 1143 CE LYS A 66 21.522 -8.446 -0.662 1.00 24.42 C ATOM 1144 NZ LYS A 66 22.165 -9.083 0.512 1.00 1.40 N ATOM 0 H LYS A 66 17.108 -7.336 -2.902 1.00 32.11 H new ATOM 0 HA LYS A 66 18.663 -4.946 -3.215 1.00 25.23 H new ATOM 0 HB2 LYS A 66 18.710 -6.422 -1.193 1.00 44.45 H new ATOM 0 HB3 LYS A 66 19.332 -7.746 -2.158 1.00 44.45 H new ATOM 0 HG2 LYS A 66 21.423 -6.409 -2.598 1.00 10.35 H new ATOM 0 HG3 LYS A 66 20.803 -5.133 -1.570 1.00 10.35 H new ATOM 0 HD2 LYS A 66 22.383 -6.497 -0.291 1.00 1.02 H new ATOM 0 HD3 LYS A 66 20.776 -6.702 0.377 1.00 1.02 H new ATOM 0 HE2 LYS A 66 20.532 -8.876 -0.811 1.00 24.42 H new ATOM 0 HE3 LYS A 66 22.103 -8.666 -1.558 1.00 24.42 H new ATOM 0 HZ1 LYS A 66 22.230 -10.110 0.358 1.00 1.40 H new ATOM 0 HZ2 LYS A 66 23.120 -8.691 0.640 1.00 1.40 H new ATOM 0 HZ3 LYS A 66 21.597 -8.896 1.363 1.00 1.40 H new ATOM 1158 N ARG A 67 20.325 -5.320 -5.052 1.00 22.21 N ATOM 1159 CA ARG A 67 21.311 -5.486 -6.144 1.00 63.23 C ATOM 1160 C ARG A 67 22.546 -4.582 -5.909 1.00 53.14 C ATOM 1161 O ARG A 67 22.453 -3.346 -5.970 1.00 11.31 O ATOM 1162 CB ARG A 67 20.668 -5.212 -7.539 1.00 74.01 C ATOM 1163 CG ARG A 67 19.831 -3.911 -7.632 1.00 71.35 C ATOM 1164 CD ARG A 67 19.349 -3.611 -9.065 1.00 62.33 C ATOM 1165 NE ARG A 67 18.332 -2.547 -9.100 1.00 41.52 N ATOM 1166 CZ ARG A 67 18.555 -1.251 -9.077 1.00 73.24 C ATOM 1167 NH1 ARG A 67 19.761 -0.761 -9.039 1.00 42.11 N ATOM 1168 NH2 ARG A 67 17.547 -0.445 -9.097 1.00 51.34 N ATOM 0 H ARG A 67 20.251 -4.362 -4.709 1.00 22.21 H new ATOM 0 HA ARG A 67 21.645 -6.524 -6.138 1.00 63.23 H new ATOM 0 HB2 ARG A 67 21.461 -5.170 -8.286 1.00 74.01 H new ATOM 0 HB3 ARG A 67 20.029 -6.056 -7.800 1.00 74.01 H new ATOM 0 HG2 ARG A 67 18.967 -3.993 -6.973 1.00 71.35 H new ATOM 0 HG3 ARG A 67 20.429 -3.074 -7.272 1.00 71.35 H new ATOM 0 HD2 ARG A 67 20.201 -3.317 -9.679 1.00 62.33 H new ATOM 0 HD3 ARG A 67 18.937 -4.519 -9.505 1.00 62.33 H new ATOM 0 HE ARG A 67 17.357 -2.845 -9.147 1.00 41.52 H new ATOM 0 HH11 ARG A 67 20.566 -1.387 -9.026 1.00 42.11 H new ATOM 0 HH12 ARG A 67 19.901 0.249 -9.022 1.00 42.11 H new ATOM 0 HH21 ARG A 67 16.598 -0.816 -9.130 1.00 51.34 H new ATOM 0 HH22 ARG A 67 17.700 0.563 -9.080 1.00 51.34 H new ATOM 1182 N GLU A 68 23.684 -5.238 -5.564 1.00 71.43 N ATOM 1183 CA GLU A 68 25.030 -4.601 -5.428 1.00 25.31 C ATOM 1184 C GLU A 68 25.116 -3.543 -4.290 1.00 1.12 C ATOM 1185 O GLU A 68 26.158 -2.892 -4.143 1.00 15.51 O ATOM 1186 CB GLU A 68 25.462 -3.968 -6.792 1.00 63.44 C ATOM 1187 CG GLU A 68 25.503 -4.963 -7.974 1.00 62.14 C ATOM 1188 CD GLU A 68 25.779 -4.289 -9.329 1.00 74.41 C ATOM 1189 OE1 GLU A 68 24.843 -3.700 -9.913 1.00 1.32 O ATOM 1190 OE2 GLU A 68 26.935 -4.324 -9.809 1.00 25.04 O ATOM 0 H GLU A 68 23.698 -6.239 -5.369 1.00 71.43 H new ATOM 0 HA GLU A 68 25.719 -5.398 -5.148 1.00 25.31 H new ATOM 0 HB2 GLU A 68 24.773 -3.159 -7.037 1.00 63.44 H new ATOM 0 HB3 GLU A 68 26.449 -3.521 -6.675 1.00 63.44 H new ATOM 0 HG2 GLU A 68 26.274 -5.710 -7.784 1.00 62.14 H new ATOM 0 HG3 GLU A 68 24.552 -5.493 -8.027 1.00 62.14 H new ATOM 1197 N ARG A 69 24.026 -3.403 -3.486 1.00 42.13 N ATOM 1198 CA ARG A 69 23.850 -2.304 -2.492 1.00 70.33 C ATOM 1199 C ARG A 69 23.960 -0.906 -3.169 1.00 61.41 C ATOM 1200 O ARG A 69 24.361 0.085 -2.542 1.00 24.50 O ATOM 1201 CB ARG A 69 24.857 -2.462 -1.314 1.00 32.34 C ATOM 1202 CG ARG A 69 24.750 -3.815 -0.568 1.00 4.33 C ATOM 1203 CD ARG A 69 25.867 -4.003 0.472 1.00 62.00 C ATOM 1204 NE ARG A 69 27.209 -3.874 -0.134 1.00 35.20 N ATOM 1205 CZ ARG A 69 28.181 -4.766 -0.083 1.00 24.15 C ATOM 1206 NH1 ARG A 69 28.031 -5.905 0.519 1.00 22.43 N ATOM 1207 NH2 ARG A 69 29.309 -4.504 -0.661 1.00 21.01 N ATOM 0 H ARG A 69 23.240 -4.053 -3.509 1.00 42.13 H new ATOM 0 HA ARG A 69 22.845 -2.376 -2.077 1.00 70.33 H new ATOM 0 HB2 ARG A 69 25.871 -2.351 -1.699 1.00 32.34 H new ATOM 0 HB3 ARG A 69 24.696 -1.653 -0.602 1.00 32.34 H new ATOM 0 HG2 ARG A 69 23.782 -3.877 -0.072 1.00 4.33 H new ATOM 0 HG3 ARG A 69 24.790 -4.629 -1.291 1.00 4.33 H new ATOM 0 HD2 ARG A 69 25.754 -3.264 1.265 1.00 62.00 H new ATOM 0 HD3 ARG A 69 25.770 -4.985 0.936 1.00 62.00 H new ATOM 0 HE ARG A 69 27.403 -3.011 -0.642 1.00 35.20 H new ATOM 0 HH11 ARG A 69 27.144 -6.131 0.969 1.00 22.43 H new ATOM 0 HH12 ARG A 69 28.800 -6.575 0.542 1.00 22.43 H new ATOM 0 HH21 ARG A 69 29.439 -3.617 -1.148 1.00 21.01 H new ATOM 0 HH22 ARG A 69 30.068 -5.184 -0.629 1.00 21.01 H new ATOM 1221 N PHE A 70 23.536 -0.861 -4.455 1.00 50.55 N ATOM 1222 CA PHE A 70 23.622 0.330 -5.339 1.00 23.34 C ATOM 1223 C PHE A 70 25.101 0.790 -5.564 1.00 11.43 C ATOM 1224 O PHE A 70 25.386 1.984 -5.710 1.00 14.23 O ATOM 1225 CB PHE A 70 22.705 1.478 -4.816 1.00 64.21 C ATOM 1226 CG PHE A 70 21.220 1.099 -4.729 1.00 32.31 C ATOM 1227 CD1 PHE A 70 20.399 1.137 -5.857 1.00 53.43 C ATOM 1228 CD2 PHE A 70 20.647 0.691 -3.519 1.00 60.24 C ATOM 1229 CE1 PHE A 70 19.062 0.784 -5.783 1.00 44.21 C ATOM 1230 CE2 PHE A 70 19.308 0.341 -3.446 1.00 20.30 C ATOM 1231 CZ PHE A 70 18.516 0.388 -4.578 1.00 5.02 C ATOM 0 H PHE A 70 23.116 -1.667 -4.918 1.00 50.55 H new ATOM 0 HA PHE A 70 23.248 0.045 -6.322 1.00 23.34 H new ATOM 0 HB2 PHE A 70 23.050 1.784 -3.828 1.00 64.21 H new ATOM 0 HB3 PHE A 70 22.811 2.342 -5.472 1.00 64.21 H new ATOM 0 HD1 PHE A 70 20.814 1.447 -6.805 1.00 53.43 H new ATOM 0 HD2 PHE A 70 21.257 0.648 -2.629 1.00 60.24 H new ATOM 0 HE1 PHE A 70 18.445 0.818 -6.669 1.00 44.21 H new ATOM 0 HE2 PHE A 70 18.883 0.031 -2.503 1.00 20.30 H new ATOM 0 HZ PHE A 70 17.473 0.116 -4.520 1.00 5.02 H new ATOM 1241 N GLY A 71 26.023 -0.198 -5.624 1.00 10.20 N ATOM 1242 CA GLY A 71 27.439 0.050 -5.936 1.00 25.34 C ATOM 1243 C GLY A 71 28.314 0.239 -4.689 1.00 62.13 C ATOM 1244 O GLY A 71 28.142 -0.480 -3.694 1.00 50.23 O ATOM 0 H GLY A 71 25.803 -1.180 -5.458 1.00 10.20 H new ATOM 0 HA2 GLY A 71 27.826 -0.785 -6.519 1.00 25.34 H new ATOM 0 HA3 GLY A 71 27.515 0.939 -6.562 1.00 25.34 H new ATOM 1248 N GLN A 72 29.269 1.195 -4.772 1.00 45.02 N ATOM 1249 CA GLN A 72 30.226 1.537 -3.680 1.00 21.23 C ATOM 1250 C GLN A 72 31.127 0.316 -3.300 1.00 53.24 C ATOM 1251 O GLN A 72 31.199 -0.114 -2.141 1.00 30.43 O ATOM 1252 CB GLN A 72 29.462 2.152 -2.452 1.00 10.23 C ATOM 1253 CG GLN A 72 30.359 2.795 -1.362 1.00 40.11 C ATOM 1254 CD GLN A 72 29.584 3.426 -0.193 1.00 31.35 C ATOM 1255 OE1 GLN A 72 30.044 3.416 0.943 1.00 43.42 O ATOM 1256 NE2 GLN A 72 28.429 4.017 -0.460 1.00 41.40 N ATOM 0 H GLN A 72 29.403 1.762 -5.610 1.00 45.02 H new ATOM 0 HA GLN A 72 30.910 2.304 -4.042 1.00 21.23 H new ATOM 0 HB2 GLN A 72 28.768 2.908 -2.819 1.00 10.23 H new ATOM 0 HB3 GLN A 72 28.863 1.368 -1.989 1.00 10.23 H new ATOM 0 HG2 GLN A 72 31.032 2.034 -0.967 1.00 40.11 H new ATOM 0 HG3 GLN A 72 30.981 3.561 -1.826 1.00 40.11 H new ATOM 0 HE21 GLN A 72 28.063 4.014 -1.412 1.00 41.40 H new ATOM 0 HE22 GLN A 72 27.906 4.475 0.286 1.00 41.40 H new ATOM 1265 N MET A 73 31.808 -0.235 -4.323 1.00 21.33 N ATOM 1266 CA MET A 73 32.691 -1.422 -4.182 1.00 44.10 C ATOM 1267 C MET A 73 34.094 -1.025 -3.653 1.00 1.34 C ATOM 1268 O MET A 73 34.941 -0.544 -4.415 1.00 22.55 O ATOM 1269 CB MET A 73 32.800 -2.154 -5.553 1.00 15.43 C ATOM 1270 CG MET A 73 31.471 -2.739 -6.056 1.00 72.01 C ATOM 1271 SD MET A 73 30.801 -3.981 -4.925 1.00 71.11 S ATOM 1272 CE MET A 73 29.263 -4.422 -5.736 1.00 45.40 C ATOM 0 H MET A 73 31.765 0.127 -5.276 1.00 21.33 H new ATOM 0 HA MET A 73 32.251 -2.098 -3.449 1.00 44.10 H new ATOM 0 HB2 MET A 73 33.182 -1.455 -6.297 1.00 15.43 H new ATOM 0 HB3 MET A 73 33.530 -2.959 -5.467 1.00 15.43 H new ATOM 0 HG2 MET A 73 30.746 -1.935 -6.181 1.00 72.01 H new ATOM 0 HG3 MET A 73 31.622 -3.188 -7.038 1.00 72.01 H new ATOM 0 HE1 MET A 73 28.746 -5.180 -5.147 1.00 45.40 H new ATOM 0 HE2 MET A 73 28.632 -3.538 -5.825 1.00 45.40 H new ATOM 0 HE3 MET A 73 29.476 -4.817 -6.729 1.00 45.40 H new ATOM 1282 N GLN A 74 34.316 -1.205 -2.335 1.00 64.33 N ATOM 1283 CA GLN A 74 35.600 -0.876 -1.663 1.00 44.04 C ATOM 1284 C GLN A 74 36.243 -2.147 -1.035 1.00 3.22 C ATOM 1285 O GLN A 74 37.219 -2.681 -1.576 1.00 44.54 O ATOM 1286 CB GLN A 74 35.379 0.257 -0.614 1.00 32.02 C ATOM 1287 CG GLN A 74 35.004 1.625 -1.241 1.00 41.54 C ATOM 1288 CD GLN A 74 34.733 2.741 -0.226 1.00 10.13 C ATOM 1289 OE1 GLN A 74 35.270 2.746 0.879 1.00 22.20 O ATOM 1290 NE2 GLN A 74 33.927 3.721 -0.608 1.00 14.21 N ATOM 0 H GLN A 74 33.612 -1.583 -1.701 1.00 64.33 H new ATOM 0 HA GLN A 74 36.306 -0.505 -2.406 1.00 44.04 H new ATOM 0 HB2 GLN A 74 34.589 -0.046 0.073 1.00 32.02 H new ATOM 0 HB3 GLN A 74 36.288 0.375 -0.024 1.00 32.02 H new ATOM 0 HG2 GLN A 74 35.812 1.941 -1.901 1.00 41.54 H new ATOM 0 HG3 GLN A 74 34.118 1.494 -1.862 1.00 41.54 H new ATOM 0 HE21 GLN A 74 33.493 3.694 -1.531 1.00 14.21 H new ATOM 0 HE22 GLN A 74 33.741 4.502 0.021 1.00 14.21 H new ATOM 1299 N GLN A 75 35.684 -2.638 0.095 1.00 72.20 N ATOM 1300 CA GLN A 75 36.150 -3.896 0.751 1.00 62.41 C ATOM 1301 C GLN A 75 34.997 -4.568 1.579 1.00 44.12 C ATOM 1302 O GLN A 75 34.821 -4.265 2.784 1.00 36.33 O ATOM 1303 CB GLN A 75 37.457 -3.657 1.593 1.00 73.23 C ATOM 1304 CG GLN A 75 37.442 -2.450 2.564 1.00 30.11 C ATOM 1305 CD GLN A 75 38.715 -2.307 3.424 1.00 45.12 C ATOM 1306 OE1 GLN A 75 38.665 -1.834 4.555 1.00 20.21 O ATOM 1307 NE2 GLN A 75 39.866 -2.703 2.901 1.00 75.10 N ATOM 1308 OXT GLN A 75 34.253 -5.398 0.998 1.00 36.33 O ATOM 0 H GLN A 75 34.907 -2.186 0.577 1.00 72.20 H new ATOM 0 HA GLN A 75 36.420 -4.606 -0.030 1.00 62.41 H new ATOM 0 HB2 GLN A 75 37.660 -4.558 2.172 1.00 73.23 H new ATOM 0 HB3 GLN A 75 38.290 -3.528 0.901 1.00 73.23 H new ATOM 0 HG2 GLN A 75 37.304 -1.536 1.986 1.00 30.11 H new ATOM 0 HG3 GLN A 75 36.580 -2.542 3.225 1.00 30.11 H new ATOM 0 HE21 GLN A 75 39.891 -3.094 1.959 1.00 75.10 H new ATOM 0 HE22 GLN A 75 40.728 -2.617 3.440 1.00 75.10 H new TER 1317 GLN A 75