USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 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 57 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.18) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 151:sc= -0.182 (180deg=-0.999) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.052 K(o=-0.052,f=-2.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 172:sc= 0.13 USER MOD Single : A 35 SER OG : rot 83:sc= 0.351 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 42 ASN : amide:sc= -0.969 K(o=-0.97,f=-0.16) USER MOD Single : A 43 ASN : amide:sc=-0.00683 K(o=-0.0068,f=-1.3) USER MOD Single : A 45 GLN : amide:sc= 0.0187 X(o=0.019,f=-0.24) USER MOD Single : A 52 ASN : amide:sc= -1.43 K(o=-1.4,f=-8.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= 1.18 (180deg=0.499) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc=-0.000594 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 66 TYR OH : rot -42:sc= -2.14! USER MOD Single : A 68 THR OG1 : rot 56:sc= 0.219 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.91 K(o=-1.9,f=-4!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -131:sc= -0.676 (180deg=-5.74!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 87 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00727) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= -1.97 K(o=-2,f=-2.8) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 58.972 -20.755 2.070 1.00 10.94 N ATOM 2 CA MET A 23 58.621 -19.831 0.954 1.00 10.35 C ATOM 3 C MET A 23 59.510 -18.593 1.024 1.00 9.43 C ATOM 4 O MET A 23 59.811 -18.094 2.109 1.00 9.09 O ATOM 5 CB MET A 23 57.151 -19.426 1.075 1.00 10.57 C ATOM 6 CG MET A 23 56.266 -20.666 0.942 1.00 11.57 C ATOM 7 SD MET A 23 54.530 -20.163 0.857 1.00 12.15 S ATOM 8 CE MET A 23 54.573 -19.481 -0.818 1.00 12.34 C ATOM 0 HA MET A 23 58.777 -20.330 -0.002 1.00 10.35 H new ATOM 0 HB2 MET A 23 56.974 -18.942 2.035 1.00 10.57 H new ATOM 0 HB3 MET A 23 56.898 -18.701 0.301 1.00 10.57 H new ATOM 0 HG2 MET A 23 56.538 -21.225 0.047 1.00 11.57 H new ATOM 0 HG3 MET A 23 56.422 -21.330 1.792 1.00 11.57 H new ATOM 0 HE1 MET A 23 53.590 -19.581 -1.277 1.00 12.34 H new ATOM 0 HE2 MET A 23 54.847 -18.427 -0.775 1.00 12.34 H new ATOM 0 HE3 MET A 23 55.308 -20.023 -1.413 1.00 12.34 H new ATOM 20 N ALA A 24 59.928 -18.104 -0.139 1.00 9.26 N ATOM 21 CA ALA A 24 60.783 -16.923 -0.195 1.00 8.60 C ATOM 22 C ALA A 24 60.059 -15.711 0.381 1.00 7.85 C ATOM 23 O ALA A 24 58.852 -15.553 0.197 1.00 7.84 O ATOM 24 CB ALA A 24 61.186 -16.639 -1.643 1.00 9.02 C ATOM 0 H ALA A 24 59.692 -18.502 -1.048 1.00 9.26 H new ATOM 0 HA ALA A 24 61.676 -17.115 0.399 1.00 8.60 H new ATOM 0 HB1 ALA A 24 61.824 -15.756 -1.677 1.00 9.02 H new ATOM 0 HB2 ALA A 24 61.729 -17.495 -2.044 1.00 9.02 H new ATOM 0 HB3 ALA A 24 60.292 -16.464 -2.242 1.00 9.02 H new ATOM 30 N SER A 25 60.802 -14.855 1.080 1.00 7.48 N ATOM 31 CA SER A 25 60.219 -13.658 1.684 1.00 7.06 C ATOM 32 C SER A 25 60.896 -12.398 1.154 1.00 6.13 C ATOM 33 O SER A 25 62.117 -12.351 1.002 1.00 5.81 O ATOM 34 CB SER A 25 60.380 -13.718 3.203 1.00 7.43 C ATOM 35 OG SER A 25 61.763 -13.684 3.528 1.00 7.66 O ATOM 0 H SER A 25 61.803 -14.966 1.242 1.00 7.48 H new ATOM 0 HA SER A 25 59.161 -13.622 1.424 1.00 7.06 H new ATOM 0 HB2 SER A 25 59.864 -12.878 3.669 1.00 7.43 H new ATOM 0 HB3 SER A 25 59.925 -14.628 3.593 1.00 7.43 H new ATOM 0 HG SER A 25 61.871 -13.721 4.501 1.00 7.66 H new ATOM 41 N GLU A 26 60.090 -11.379 0.873 1.00 6.02 N ATOM 42 CA GLU A 26 60.619 -10.097 0.416 1.00 5.52 C ATOM 43 C GLU A 26 61.388 -9.385 1.529 1.00 4.55 C ATOM 44 O GLU A 26 62.390 -8.719 1.272 1.00 4.71 O ATOM 45 CB GLU A 26 59.472 -9.203 -0.061 1.00 6.21 C ATOM 46 CG GLU A 26 58.785 -9.852 -1.268 1.00 7.11 C ATOM 47 CD GLU A 26 59.749 -10.006 -2.447 1.00 7.09 C ATOM 48 OE1 GLU A 26 60.776 -9.343 -2.463 1.00 6.52 O ATOM 49 OE2 GLU A 26 59.442 -10.794 -3.327 1.00 7.84 O ATOM 0 H GLU A 26 59.074 -11.414 0.953 1.00 6.02 H new ATOM 0 HA GLU A 26 61.306 -10.291 -0.407 1.00 5.52 H new ATOM 0 HB2 GLU A 26 58.753 -9.056 0.744 1.00 6.21 H new ATOM 0 HB3 GLU A 26 59.853 -8.218 -0.332 1.00 6.21 H new ATOM 0 HG2 GLU A 26 58.397 -10.830 -0.984 1.00 7.11 H new ATOM 0 HG3 GLU A 26 57.931 -9.246 -1.571 1.00 7.11 H new ATOM 56 N SER A 27 60.916 -9.532 2.765 1.00 3.94 N ATOM 57 CA SER A 27 61.554 -8.879 3.907 1.00 3.27 C ATOM 58 C SER A 27 63.034 -9.252 4.031 1.00 2.27 C ATOM 59 O SER A 27 63.825 -8.474 4.562 1.00 2.60 O ATOM 60 CB SER A 27 60.826 -9.268 5.194 1.00 3.88 C ATOM 61 OG SER A 27 59.446 -8.952 5.064 1.00 4.25 O ATOM 0 H SER A 27 60.098 -10.094 3.001 1.00 3.94 H new ATOM 0 HA SER A 27 61.493 -7.803 3.746 1.00 3.27 H new ATOM 0 HB2 SER A 27 60.951 -10.333 5.389 1.00 3.88 H new ATOM 0 HB3 SER A 27 61.255 -8.736 6.043 1.00 3.88 H new ATOM 0 HG SER A 27 58.974 -9.201 5.886 1.00 4.25 H new ATOM 67 N ASN A 28 63.410 -10.435 3.546 1.00 1.86 N ATOM 68 CA ASN A 28 64.793 -10.888 3.647 1.00 1.90 C ATOM 69 C ASN A 28 65.744 -9.875 3.017 1.00 1.49 C ATOM 70 O ASN A 28 65.425 -9.252 2.003 1.00 2.29 O ATOM 71 CB ASN A 28 64.951 -12.239 2.947 1.00 2.82 C ATOM 72 CG ASN A 28 66.294 -12.865 3.310 1.00 3.50 C ATOM 73 OD1 ASN A 28 66.852 -12.571 4.367 1.00 3.69 O ATOM 74 ND2 ASN A 28 66.850 -13.715 2.490 1.00 4.39 N ATOM 0 H ASN A 28 62.781 -11.091 3.083 1.00 1.86 H new ATOM 0 HA ASN A 28 65.042 -10.991 4.703 1.00 1.90 H new ATOM 0 HB2 ASN A 28 64.140 -12.906 3.239 1.00 2.82 H new ATOM 0 HB3 ASN A 28 64.882 -12.108 1.867 1.00 2.82 H new ATOM 0 HD21 ASN A 28 67.749 -14.137 2.725 1.00 4.39 H new ATOM 0 HD22 ASN A 28 66.386 -13.957 1.615 1.00 4.39 H new ATOM 81 N GLY A 29 66.915 -9.717 3.626 1.00 0.74 N ATOM 82 CA GLY A 29 67.906 -8.770 3.132 1.00 0.29 C ATOM 83 C GLY A 29 68.740 -8.211 4.281 1.00 0.24 C ATOM 84 O GLY A 29 68.201 -7.831 5.320 1.00 0.28 O ATOM 0 H GLY A 29 67.199 -10.231 4.460 1.00 0.74 H new ATOM 0 HA2 GLY A 29 68.557 -9.262 2.409 1.00 0.29 H new ATOM 0 HA3 GLY A 29 67.407 -7.955 2.608 1.00 0.29 H new ATOM 88 N ARG A 30 70.054 -8.163 4.088 1.00 0.19 N ATOM 89 CA ARG A 30 70.947 -7.669 5.133 1.00 0.19 C ATOM 90 C ARG A 30 70.588 -6.230 5.496 1.00 0.15 C ATOM 91 O ARG A 30 70.139 -5.470 4.641 1.00 0.13 O ATOM 92 CB ARG A 30 72.400 -7.734 4.660 1.00 0.21 C ATOM 93 CG ARG A 30 72.784 -9.190 4.394 1.00 0.59 C ATOM 94 CD ARG A 30 74.255 -9.264 3.978 1.00 0.95 C ATOM 95 NE ARG A 30 75.118 -8.939 5.118 1.00 1.70 N ATOM 96 CZ ARG A 30 76.453 -8.840 5.032 1.00 2.16 C ATOM 97 NH1 ARG A 30 77.096 -9.030 3.905 1.00 2.37 N ATOM 98 NH2 ARG A 30 77.135 -8.546 6.105 1.00 2.74 N ATOM 0 H ARG A 30 70.521 -8.456 3.230 1.00 0.19 H new ATOM 0 HA ARG A 30 70.831 -8.299 6.015 1.00 0.19 H new ATOM 0 HB2 ARG A 30 72.525 -7.142 3.753 1.00 0.21 H new ATOM 0 HB3 ARG A 30 73.059 -7.305 5.415 1.00 0.21 H new ATOM 0 HG2 ARG A 30 72.618 -9.790 5.289 1.00 0.59 H new ATOM 0 HG3 ARG A 30 72.152 -9.606 3.609 1.00 0.59 H new ATOM 0 HD2 ARG A 30 74.487 -10.263 3.610 1.00 0.95 H new ATOM 0 HD3 ARG A 30 74.445 -8.570 3.159 1.00 0.95 H new ATOM 0 HE ARG A 30 74.680 -8.780 6.025 1.00 1.70 H new ATOM 0 HH11 ARG A 30 76.580 -9.261 3.056 1.00 2.37 H new ATOM 0 HH12 ARG A 30 78.112 -8.946 3.877 1.00 2.37 H new ATOM 0 HH21 ARG A 30 76.652 -8.396 6.991 1.00 2.74 H new ATOM 0 HH22 ARG A 30 78.151 -8.467 6.058 1.00 2.74 H new ATOM 112 N LYS A 31 70.746 -5.868 6.767 1.00 0.15 N ATOM 113 CA LYS A 31 70.521 -4.484 7.179 1.00 0.13 C ATOM 114 C LYS A 31 71.753 -3.640 6.872 1.00 0.11 C ATOM 115 O LYS A 31 72.883 -4.074 7.088 1.00 0.13 O ATOM 116 CB LYS A 31 70.207 -4.407 8.672 1.00 0.16 C ATOM 117 CG LYS A 31 69.795 -2.979 9.035 1.00 0.92 C ATOM 118 CD LYS A 31 69.561 -2.883 10.544 1.00 0.91 C ATOM 119 CE LYS A 31 68.998 -1.503 10.888 1.00 1.87 C ATOM 120 NZ LYS A 31 70.107 -0.509 10.924 1.00 2.29 N ATOM 0 H LYS A 31 71.024 -6.500 7.518 1.00 0.15 H new ATOM 0 HA LYS A 31 69.668 -4.097 6.622 1.00 0.13 H new ATOM 0 HB2 LYS A 31 69.406 -5.102 8.922 1.00 0.16 H new ATOM 0 HB3 LYS A 31 71.080 -4.704 9.254 1.00 0.16 H new ATOM 0 HG2 LYS A 31 70.571 -2.277 8.731 1.00 0.92 H new ATOM 0 HG3 LYS A 31 68.888 -2.703 8.497 1.00 0.92 H new ATOM 0 HD2 LYS A 31 68.868 -3.660 10.865 1.00 0.91 H new ATOM 0 HD3 LYS A 31 70.496 -3.049 11.079 1.00 0.91 H new ATOM 0 HE2 LYS A 31 68.254 -1.207 10.148 1.00 1.87 H new ATOM 0 HE3 LYS A 31 68.493 -1.535 11.853 1.00 1.87 H new ATOM 0 HZ1 LYS A 31 69.725 0.429 11.158 1.00 2.29 H new ATOM 0 HZ2 LYS A 31 70.801 -0.790 11.646 1.00 2.29 H new ATOM 0 HZ3 LYS A 31 70.570 -0.472 9.994 1.00 2.29 H new ATOM 134 N VAL A 32 71.527 -2.431 6.367 1.00 0.09 N ATOM 135 CA VAL A 32 72.633 -1.537 6.024 1.00 0.09 C ATOM 136 C VAL A 32 72.347 -0.101 6.467 1.00 0.08 C ATOM 137 O VAL A 32 71.257 0.428 6.248 1.00 0.08 O ATOM 138 CB VAL A 32 72.890 -1.583 4.511 1.00 0.10 C ATOM 139 CG1 VAL A 32 74.094 -0.708 4.147 1.00 0.12 C ATOM 140 CG2 VAL A 32 73.188 -3.025 4.089 1.00 0.11 C ATOM 0 H VAL A 32 70.599 -2.049 6.187 1.00 0.09 H new ATOM 0 HA VAL A 32 73.523 -1.878 6.553 1.00 0.09 H new ATOM 0 HB VAL A 32 72.004 -1.212 3.996 1.00 0.10 H new ATOM 0 HG11 VAL A 32 74.263 -0.751 3.071 1.00 0.12 H new ATOM 0 HG12 VAL A 32 73.897 0.323 4.442 1.00 0.12 H new ATOM 0 HG13 VAL A 32 74.979 -1.072 4.668 1.00 0.12 H new ATOM 0 HG21 VAL A 32 73.371 -3.059 3.015 1.00 0.11 H new ATOM 0 HG22 VAL A 32 74.070 -3.384 4.619 1.00 0.11 H new ATOM 0 HG23 VAL A 32 72.335 -3.659 4.332 1.00 0.11 H new ATOM 150 N ASP A 33 73.347 0.513 7.092 1.00 0.09 N ATOM 151 CA ASP A 33 73.275 1.919 7.480 1.00 0.08 C ATOM 152 C ASP A 33 73.523 2.824 6.275 1.00 0.08 C ATOM 153 O ASP A 33 74.269 2.468 5.362 1.00 0.10 O ATOM 154 CB ASP A 33 74.311 2.215 8.566 1.00 0.11 C ATOM 155 CG ASP A 33 74.123 3.632 9.094 1.00 0.74 C ATOM 156 OD1 ASP A 33 73.290 3.813 9.967 1.00 1.59 O ATOM 157 OD2 ASP A 33 74.815 4.518 8.618 1.00 0.47 O ATOM 0 H ASP A 33 74.223 0.055 7.342 1.00 0.09 H new ATOM 0 HA ASP A 33 72.276 2.118 7.868 1.00 0.08 H new ATOM 0 HB2 ASP A 33 74.210 1.498 9.381 1.00 0.11 H new ATOM 0 HB3 ASP A 33 75.317 2.099 8.162 1.00 0.11 H new ATOM 162 N TYR A 34 72.898 3.998 6.269 1.00 0.08 N ATOM 163 CA TYR A 34 73.037 4.925 5.145 1.00 0.09 C ATOM 164 C TYR A 34 74.510 5.213 4.843 1.00 0.11 C ATOM 165 O TYR A 34 74.899 5.312 3.680 1.00 0.13 O ATOM 166 CB TYR A 34 72.299 6.233 5.459 1.00 0.10 C ATOM 167 CG TYR A 34 72.450 7.308 4.402 1.00 0.15 C ATOM 168 CD1 TYR A 34 72.416 6.969 3.043 1.00 0.19 C ATOM 169 CD2 TYR A 34 72.636 8.644 4.782 1.00 0.18 C ATOM 170 CE1 TYR A 34 72.569 7.962 2.070 1.00 0.24 C ATOM 171 CE2 TYR A 34 72.785 9.638 3.805 1.00 0.24 C ATOM 172 CZ TYR A 34 72.751 9.296 2.448 1.00 0.27 C ATOM 173 OH TYR A 34 72.905 10.267 1.478 1.00 0.32 O ATOM 0 H TYR A 34 72.295 4.330 7.022 1.00 0.08 H new ATOM 0 HA TYR A 34 72.597 4.461 4.262 1.00 0.09 H new ATOM 0 HB2 TYR A 34 71.239 6.015 5.589 1.00 0.10 H new ATOM 0 HB3 TYR A 34 72.663 6.622 6.410 1.00 0.10 H new ATOM 0 HD1 TYR A 34 72.272 5.941 2.747 1.00 0.19 H new ATOM 0 HD2 TYR A 34 72.665 8.908 5.829 1.00 0.18 H new ATOM 0 HE1 TYR A 34 72.547 7.698 1.023 1.00 0.24 H new ATOM 0 HE2 TYR A 34 72.926 10.668 4.099 1.00 0.24 H new ATOM 0 HH TYR A 34 72.899 11.153 1.898 1.00 0.32 H new ATOM 183 N SER A 35 75.330 5.315 5.885 1.00 0.13 N ATOM 184 CA SER A 35 76.750 5.596 5.693 1.00 0.16 C ATOM 185 C SER A 35 77.395 4.514 4.832 1.00 0.16 C ATOM 186 O SER A 35 78.132 4.805 3.888 1.00 0.17 O ATOM 187 CB SER A 35 77.457 5.658 7.048 1.00 0.18 C ATOM 188 OG SER A 35 76.795 6.604 7.877 1.00 1.24 O ATOM 0 H SER A 35 75.042 5.209 6.858 1.00 0.13 H new ATOM 0 HA SER A 35 76.848 6.557 5.188 1.00 0.16 H new ATOM 0 HB2 SER A 35 77.451 4.676 7.520 1.00 0.18 H new ATOM 0 HB3 SER A 35 78.501 5.941 6.914 1.00 0.18 H new ATOM 0 HG SER A 35 76.021 6.180 8.303 1.00 1.24 H new ATOM 194 N THR A 36 77.071 3.261 5.132 1.00 0.15 N ATOM 195 CA THR A 36 77.656 2.142 4.400 1.00 0.16 C ATOM 196 C THR A 36 77.226 2.177 2.937 1.00 0.15 C ATOM 197 O THR A 36 78.033 1.940 2.038 1.00 0.17 O ATOM 198 CB THR A 36 77.239 0.815 5.038 1.00 0.16 C ATOM 199 OG1 THR A 36 77.570 0.833 6.419 1.00 0.18 O ATOM 200 CG2 THR A 36 77.971 -0.339 4.351 1.00 0.18 C ATOM 0 H THR A 36 76.415 2.996 5.867 1.00 0.15 H new ATOM 0 HA THR A 36 78.741 2.230 4.446 1.00 0.16 H new ATOM 0 HB THR A 36 76.164 0.678 4.922 1.00 0.16 H new ATOM 0 HG1 THR A 36 77.302 -0.015 6.831 1.00 0.18 H new ATOM 0 HG21 THR A 36 77.672 -1.283 4.807 1.00 0.18 H new ATOM 0 HG22 THR A 36 77.716 -0.352 3.291 1.00 0.18 H new ATOM 0 HG23 THR A 36 79.047 -0.206 4.464 1.00 0.18 H new ATOM 208 N PHE A 37 75.958 2.503 2.698 1.00 0.13 N ATOM 209 CA PHE A 37 75.449 2.573 1.333 1.00 0.14 C ATOM 210 C PHE A 37 76.243 3.582 0.507 1.00 0.16 C ATOM 211 O PHE A 37 76.603 3.304 -0.635 1.00 0.17 O ATOM 212 CB PHE A 37 73.967 2.967 1.351 1.00 0.14 C ATOM 213 CG PHE A 37 73.360 3.135 -0.026 1.00 0.17 C ATOM 214 CD1 PHE A 37 72.777 2.045 -0.681 1.00 0.33 C ATOM 215 CD2 PHE A 37 73.395 4.389 -0.648 1.00 0.17 C ATOM 216 CE1 PHE A 37 72.228 2.211 -1.959 1.00 0.37 C ATOM 217 CE2 PHE A 37 72.846 4.553 -1.926 1.00 0.18 C ATOM 218 CZ PHE A 37 72.262 3.464 -2.581 1.00 0.25 C ATOM 0 H PHE A 37 75.273 2.720 3.422 1.00 0.13 H new ATOM 0 HA PHE A 37 75.559 1.591 0.874 1.00 0.14 H new ATOM 0 HB2 PHE A 37 73.406 2.207 1.894 1.00 0.14 H new ATOM 0 HB3 PHE A 37 73.856 3.901 1.903 1.00 0.14 H new ATOM 0 HD1 PHE A 37 72.750 1.077 -0.202 1.00 0.33 H new ATOM 0 HD2 PHE A 37 73.846 5.230 -0.142 1.00 0.17 H new ATOM 0 HE1 PHE A 37 71.778 1.370 -2.465 1.00 0.37 H new ATOM 0 HE2 PHE A 37 72.874 5.520 -2.406 1.00 0.18 H new ATOM 0 HZ PHE A 37 71.838 3.590 -3.566 1.00 0.25 H new ATOM 228 N LEU A 38 76.533 4.741 1.091 1.00 0.17 N ATOM 229 CA LEU A 38 77.247 5.784 0.363 1.00 0.21 C ATOM 230 C LEU A 38 78.619 5.293 -0.082 1.00 0.23 C ATOM 231 O LEU A 38 79.040 5.550 -1.209 1.00 0.25 O ATOM 232 CB LEU A 38 77.396 7.021 1.248 1.00 0.22 C ATOM 233 CG LEU A 38 76.006 7.564 1.586 1.00 0.21 C ATOM 234 CD1 LEU A 38 76.120 8.642 2.665 1.00 0.23 C ATOM 235 CD2 LEU A 38 75.376 8.166 0.328 1.00 0.23 C ATOM 0 H LEU A 38 76.289 4.980 2.052 1.00 0.17 H new ATOM 0 HA LEU A 38 76.672 6.042 -0.526 1.00 0.21 H new ATOM 0 HB2 LEU A 38 77.933 6.767 2.162 1.00 0.22 H new ATOM 0 HB3 LEU A 38 77.983 7.783 0.734 1.00 0.22 H new ATOM 0 HG LEU A 38 75.381 6.751 1.955 1.00 0.21 H new ATOM 0 HD11 LEU A 38 75.128 9.026 2.902 1.00 0.23 H new ATOM 0 HD12 LEU A 38 76.567 8.213 3.562 1.00 0.23 H new ATOM 0 HD13 LEU A 38 76.746 9.456 2.301 1.00 0.23 H new ATOM 0 HD21 LEU A 38 74.386 8.553 0.567 1.00 0.23 H new ATOM 0 HD22 LEU A 38 76.004 8.977 -0.041 1.00 0.23 H new ATOM 0 HD23 LEU A 38 75.289 7.397 -0.439 1.00 0.23 H new ATOM 247 N GLN A 39 79.300 4.561 0.795 1.00 0.23 N ATOM 248 CA GLN A 39 80.614 4.026 0.452 1.00 0.26 C ATOM 249 C GLN A 39 80.515 3.075 -0.738 1.00 0.24 C ATOM 250 O GLN A 39 81.317 3.139 -1.669 1.00 0.28 O ATOM 251 CB GLN A 39 81.213 3.287 1.651 1.00 0.27 C ATOM 252 CG GLN A 39 82.653 2.872 1.329 1.00 0.31 C ATOM 253 CD GLN A 39 83.301 2.173 2.524 1.00 0.67 C ATOM 254 OE1 GLN A 39 82.737 2.134 3.619 1.00 1.05 O ATOM 255 NE2 GLN A 39 84.470 1.613 2.376 1.00 1.10 N ATOM 0 H GLN A 39 78.972 4.328 1.732 1.00 0.23 H new ATOM 0 HA GLN A 39 81.262 4.860 0.182 1.00 0.26 H new ATOM 0 HB2 GLN A 39 81.197 3.928 2.532 1.00 0.27 H new ATOM 0 HB3 GLN A 39 80.614 2.407 1.886 1.00 0.27 H new ATOM 0 HG2 GLN A 39 82.659 2.206 0.466 1.00 0.31 H new ATOM 0 HG3 GLN A 39 83.237 3.751 1.057 1.00 0.31 H new ATOM 0 HE21 GLN A 39 84.939 1.644 1.471 1.00 1.10 H new ATOM 0 HE22 GLN A 39 84.915 1.145 3.165 1.00 1.10 H new ATOM 264 N GLU A 40 79.499 2.219 -0.725 1.00 0.21 N ATOM 265 CA GLU A 40 79.326 1.244 -1.796 1.00 0.21 C ATOM 266 C GLU A 40 79.086 1.935 -3.135 1.00 0.21 C ATOM 267 O GLU A 40 79.565 1.479 -4.173 1.00 0.23 O ATOM 268 CB GLU A 40 78.151 0.322 -1.470 1.00 0.18 C ATOM 269 CG GLU A 40 78.476 -0.478 -0.202 1.00 0.97 C ATOM 270 CD GLU A 40 77.372 -1.485 0.135 1.00 1.58 C ATOM 271 OE1 GLU A 40 76.313 -1.436 -0.473 1.00 1.63 O ATOM 272 OE2 GLU A 40 77.605 -2.300 1.012 1.00 2.35 O ATOM 0 H GLU A 40 78.790 2.180 0.007 1.00 0.21 H new ATOM 0 HA GLU A 40 80.241 0.657 -1.875 1.00 0.21 H new ATOM 0 HB2 GLU A 40 77.243 0.908 -1.323 1.00 0.18 H new ATOM 0 HB3 GLU A 40 77.962 -0.355 -2.303 1.00 0.18 H new ATOM 0 HG2 GLU A 40 79.420 -1.006 -0.337 1.00 0.97 H new ATOM 0 HG3 GLU A 40 78.611 0.207 0.635 1.00 0.97 H new ATOM 279 N VAL A 41 78.313 3.017 -3.110 1.00 0.20 N ATOM 280 CA VAL A 41 78.068 3.795 -4.318 1.00 0.24 C ATOM 281 C VAL A 41 79.392 4.309 -4.881 1.00 0.28 C ATOM 282 O VAL A 41 79.664 4.173 -6.072 1.00 0.31 O ATOM 283 CB VAL A 41 77.127 4.967 -3.995 1.00 0.25 C ATOM 284 CG1 VAL A 41 76.863 5.802 -5.252 1.00 0.30 C ATOM 285 CG2 VAL A 41 75.790 4.429 -3.477 1.00 0.22 C ATOM 0 H VAL A 41 77.849 3.372 -2.274 1.00 0.20 H new ATOM 0 HA VAL A 41 77.595 3.162 -5.069 1.00 0.24 H new ATOM 0 HB VAL A 41 77.602 5.590 -3.237 1.00 0.25 H new ATOM 0 HG11 VAL A 41 76.195 6.628 -5.007 1.00 0.30 H new ATOM 0 HG12 VAL A 41 77.805 6.198 -5.630 1.00 0.30 H new ATOM 0 HG13 VAL A 41 76.400 5.175 -6.014 1.00 0.30 H new ATOM 0 HG21 VAL A 41 75.126 5.263 -3.249 1.00 0.22 H new ATOM 0 HG22 VAL A 41 75.332 3.798 -4.239 1.00 0.22 H new ATOM 0 HG23 VAL A 41 75.959 3.843 -2.574 1.00 0.22 H new ATOM 295 N ASN A 42 80.228 4.864 -4.013 1.00 0.30 N ATOM 296 CA ASN A 42 81.546 5.340 -4.429 1.00 0.35 C ATOM 297 C ASN A 42 82.372 4.219 -5.065 1.00 0.36 C ATOM 298 O ASN A 42 83.165 4.463 -5.974 1.00 0.41 O ATOM 299 CB ASN A 42 82.289 5.917 -3.223 1.00 0.36 C ATOM 300 CG ASN A 42 81.554 7.152 -2.708 1.00 0.37 C ATOM 301 OD1 ASN A 42 81.273 8.070 -3.478 1.00 0.41 O ATOM 302 ND2 ASN A 42 81.215 7.226 -1.450 1.00 0.33 N ATOM 0 H ASN A 42 80.022 4.996 -3.023 1.00 0.30 H new ATOM 0 HA ASN A 42 81.405 6.117 -5.180 1.00 0.35 H new ATOM 0 HB2 ASN A 42 82.358 5.168 -2.434 1.00 0.36 H new ATOM 0 HB3 ASN A 42 83.309 6.180 -3.504 1.00 0.36 H new ATOM 0 HD21 ASN A 42 80.716 8.046 -1.104 1.00 0.33 H new ATOM 0 HD22 ASN A 42 81.449 6.464 -0.813 1.00 0.33 H new ATOM 309 N ASN A 43 82.183 2.993 -4.583 1.00 0.33 N ATOM 310 CA ASN A 43 82.903 1.837 -5.120 1.00 0.35 C ATOM 311 C ASN A 43 82.233 1.222 -6.360 1.00 0.33 C ATOM 312 O ASN A 43 82.650 0.157 -6.812 1.00 0.34 O ATOM 313 CB ASN A 43 83.034 0.765 -4.036 1.00 0.33 C ATOM 314 CG ASN A 43 83.862 1.296 -2.869 1.00 0.36 C ATOM 315 OD1 ASN A 43 84.680 2.201 -3.046 1.00 0.40 O ATOM 316 ND2 ASN A 43 83.696 0.786 -1.680 1.00 0.35 N ATOM 0 H ASN A 43 81.539 2.773 -3.823 1.00 0.33 H new ATOM 0 HA ASN A 43 83.883 2.199 -5.433 1.00 0.35 H new ATOM 0 HB2 ASN A 43 82.045 0.469 -3.685 1.00 0.33 H new ATOM 0 HB3 ASN A 43 83.505 -0.126 -4.450 1.00 0.33 H new ATOM 0 HD21 ASN A 43 84.244 1.136 -0.894 1.00 0.35 H new ATOM 0 HD22 ASN A 43 83.018 0.037 -1.536 1.00 0.35 H new ATOM 323 N ASP A 44 81.200 1.868 -6.902 1.00 0.31 N ATOM 324 CA ASP A 44 80.503 1.360 -8.083 1.00 0.30 C ATOM 325 C ASP A 44 80.108 -0.109 -7.926 1.00 0.26 C ATOM 326 O ASP A 44 80.111 -0.870 -8.895 1.00 0.27 O ATOM 327 CB ASP A 44 81.396 1.526 -9.317 1.00 0.36 C ATOM 328 CG ASP A 44 80.609 1.225 -10.591 1.00 0.37 C ATOM 329 OD1 ASP A 44 79.414 1.473 -10.606 1.00 0.68 O ATOM 330 OD2 ASP A 44 81.216 0.749 -11.536 1.00 0.74 O ATOM 0 H ASP A 44 80.827 2.746 -6.541 1.00 0.31 H new ATOM 0 HA ASP A 44 79.586 1.938 -8.203 1.00 0.30 H new ATOM 0 HB2 ASP A 44 81.787 2.543 -9.356 1.00 0.36 H new ATOM 0 HB3 ASP A 44 82.253 0.857 -9.245 1.00 0.36 H new ATOM 335 N GLN A 45 79.759 -0.504 -6.704 1.00 0.23 N ATOM 336 CA GLN A 45 79.296 -1.870 -6.459 1.00 0.22 C ATOM 337 C GLN A 45 77.775 -2.009 -6.596 1.00 0.17 C ATOM 338 O GLN A 45 77.275 -3.109 -6.831 1.00 0.17 O ATOM 339 CB GLN A 45 79.739 -2.329 -5.065 1.00 0.26 C ATOM 340 CG GLN A 45 81.269 -2.350 -4.988 1.00 0.32 C ATOM 341 CD GLN A 45 81.842 -3.335 -6.004 1.00 0.62 C ATOM 342 OE1 GLN A 45 81.484 -4.513 -5.999 1.00 0.99 O ATOM 343 NE2 GLN A 45 82.699 -2.916 -6.894 1.00 0.66 N ATOM 0 H GLN A 45 79.787 0.092 -5.877 1.00 0.23 H new ATOM 0 HA GLN A 45 79.747 -2.505 -7.221 1.00 0.22 H new ATOM 0 HB2 GLN A 45 79.337 -1.658 -4.306 1.00 0.26 H new ATOM 0 HB3 GLN A 45 79.341 -3.322 -4.856 1.00 0.26 H new ATOM 0 HG2 GLN A 45 81.662 -1.352 -5.179 1.00 0.32 H new ATOM 0 HG3 GLN A 45 81.585 -2.630 -3.983 1.00 0.32 H new ATOM 0 HE21 GLN A 45 82.995 -1.940 -6.897 1.00 0.66 H new ATOM 0 HE22 GLN A 45 83.073 -3.565 -7.587 1.00 0.66 H new ATOM 352 N VAL A 46 77.037 -0.907 -6.455 1.00 0.16 N ATOM 353 CA VAL A 46 75.578 -0.961 -6.522 1.00 0.14 C ATOM 354 C VAL A 46 75.112 -1.001 -7.976 1.00 0.14 C ATOM 355 O VAL A 46 75.649 -0.294 -8.829 1.00 0.16 O ATOM 356 CB VAL A 46 74.968 0.254 -5.809 1.00 0.17 C ATOM 357 CG1 VAL A 46 73.441 0.136 -5.793 1.00 0.19 C ATOM 358 CG2 VAL A 46 75.475 0.321 -4.365 1.00 0.18 C ATOM 0 H VAL A 46 77.421 0.024 -6.295 1.00 0.16 H new ATOM 0 HA VAL A 46 75.243 -1.870 -6.022 1.00 0.14 H new ATOM 0 HB VAL A 46 75.262 1.157 -6.344 1.00 0.17 H new ATOM 0 HG11 VAL A 46 73.015 1.001 -5.286 1.00 0.19 H new ATOM 0 HG12 VAL A 46 73.068 0.095 -6.817 1.00 0.19 H new ATOM 0 HG13 VAL A 46 73.152 -0.773 -5.265 1.00 0.19 H new ATOM 0 HG21 VAL A 46 75.038 1.186 -3.866 1.00 0.18 H new ATOM 0 HG22 VAL A 46 75.187 -0.587 -3.836 1.00 0.18 H new ATOM 0 HG23 VAL A 46 76.561 0.413 -4.365 1.00 0.18 H new ATOM 368 N ARG A 47 74.110 -1.834 -8.250 1.00 0.13 N ATOM 369 CA ARG A 47 73.579 -1.968 -9.603 1.00 0.15 C ATOM 370 C ARG A 47 72.219 -1.284 -9.722 1.00 0.15 C ATOM 371 O ARG A 47 71.976 -0.505 -10.647 1.00 0.17 O ATOM 372 CB ARG A 47 73.432 -3.454 -9.938 1.00 0.15 C ATOM 373 CG ARG A 47 72.994 -3.622 -11.396 1.00 0.17 C ATOM 374 CD ARG A 47 72.776 -5.108 -11.690 1.00 0.18 C ATOM 375 NE ARG A 47 72.470 -5.304 -13.110 1.00 0.21 N ATOM 376 CZ ARG A 47 73.405 -5.342 -14.071 1.00 1.11 C ATOM 377 NH1 ARG A 47 74.683 -5.204 -13.809 1.00 2.22 N ATOM 378 NH2 ARG A 47 73.030 -5.522 -15.308 1.00 1.07 N ATOM 0 H ARG A 47 73.652 -2.424 -7.555 1.00 0.13 H new ATOM 0 HA ARG A 47 74.268 -1.491 -10.300 1.00 0.15 H new ATOM 0 HB2 ARG A 47 74.379 -3.968 -9.773 1.00 0.15 H new ATOM 0 HB3 ARG A 47 72.700 -3.914 -9.274 1.00 0.15 H new ATOM 0 HG2 ARG A 47 72.075 -3.065 -11.578 1.00 0.17 H new ATOM 0 HG3 ARG A 47 73.752 -3.214 -12.065 1.00 0.17 H new ATOM 0 HD2 ARG A 47 73.668 -5.674 -11.421 1.00 0.18 H new ATOM 0 HD3 ARG A 47 71.959 -5.491 -11.078 1.00 0.18 H new ATOM 0 HE ARG A 47 71.494 -5.418 -13.382 1.00 0.21 H new ATOM 0 HH11 ARG A 47 74.994 -5.062 -12.848 1.00 2.22 H new ATOM 0 HH12 ARG A 47 75.365 -5.238 -14.566 1.00 2.22 H new ATOM 0 HH21 ARG A 47 72.040 -5.631 -15.530 1.00 1.07 H new ATOM 0 HH22 ARG A 47 73.726 -5.554 -16.053 1.00 1.07 H new ATOM 392 N GLU A 48 71.337 -1.582 -8.772 1.00 0.14 N ATOM 393 CA GLU A 48 69.969 -1.071 -8.812 1.00 0.14 C ATOM 394 C GLU A 48 69.552 -0.505 -7.458 1.00 0.13 C ATOM 395 O GLU A 48 69.874 -1.071 -6.416 1.00 0.18 O ATOM 396 CB GLU A 48 69.015 -2.201 -9.206 1.00 0.16 C ATOM 397 CG GLU A 48 67.595 -1.649 -9.384 1.00 0.17 C ATOM 398 CD GLU A 48 66.584 -2.757 -9.702 1.00 0.61 C ATOM 399 OE1 GLU A 48 66.963 -3.919 -9.749 1.00 1.08 O ATOM 400 OE2 GLU A 48 65.427 -2.420 -9.895 1.00 0.59 O ATOM 0 H GLU A 48 71.544 -2.173 -7.967 1.00 0.14 H new ATOM 0 HA GLU A 48 69.925 -0.268 -9.548 1.00 0.14 H new ATOM 0 HB2 GLU A 48 69.352 -2.667 -10.132 1.00 0.16 H new ATOM 0 HB3 GLU A 48 69.020 -2.976 -8.440 1.00 0.16 H new ATOM 0 HG2 GLU A 48 67.291 -1.131 -8.475 1.00 0.17 H new ATOM 0 HG3 GLU A 48 67.590 -0.912 -10.187 1.00 0.17 H new ATOM 407 N ALA A 49 68.800 0.595 -7.488 1.00 0.12 N ATOM 408 CA ALA A 49 68.271 1.186 -6.264 1.00 0.13 C ATOM 409 C ALA A 49 66.807 1.585 -6.439 1.00 0.11 C ATOM 410 O ALA A 49 66.471 2.442 -7.259 1.00 0.12 O ATOM 411 CB ALA A 49 69.095 2.416 -5.879 1.00 0.18 C ATOM 0 H ALA A 49 68.546 1.091 -8.342 1.00 0.12 H new ATOM 0 HA ALA A 49 68.335 0.441 -5.471 1.00 0.13 H new ATOM 0 HB1 ALA A 49 68.693 2.851 -4.964 1.00 0.18 H new ATOM 0 HB2 ALA A 49 70.132 2.123 -5.716 1.00 0.18 H new ATOM 0 HB3 ALA A 49 69.048 3.152 -6.682 1.00 0.18 H new ATOM 417 N ARG A 50 65.934 0.931 -5.680 1.00 0.12 N ATOM 418 CA ARG A 50 64.519 1.286 -5.665 1.00 0.13 C ATOM 419 C ARG A 50 64.235 2.248 -4.514 1.00 0.16 C ATOM 420 O ARG A 50 64.658 2.004 -3.386 1.00 0.21 O ATOM 421 CB ARG A 50 63.675 0.023 -5.482 1.00 0.16 C ATOM 422 CG ARG A 50 63.816 -0.875 -6.712 1.00 0.16 C ATOM 423 CD ARG A 50 62.950 -2.123 -6.535 1.00 0.22 C ATOM 424 NE ARG A 50 61.529 -1.769 -6.597 1.00 1.33 N ATOM 425 CZ ARG A 50 60.561 -2.643 -6.912 1.00 2.05 C ATOM 426 NH1 ARG A 50 60.815 -3.898 -7.194 1.00 2.44 N ATOM 427 NH2 ARG A 50 59.323 -2.230 -6.938 1.00 2.82 N ATOM 0 H ARG A 50 66.181 0.153 -5.068 1.00 0.12 H new ATOM 0 HA ARG A 50 64.265 1.766 -6.610 1.00 0.13 H new ATOM 0 HB2 ARG A 50 63.996 -0.514 -4.589 1.00 0.16 H new ATOM 0 HB3 ARG A 50 62.629 0.291 -5.334 1.00 0.16 H new ATOM 0 HG2 ARG A 50 63.513 -0.333 -7.608 1.00 0.16 H new ATOM 0 HG3 ARG A 50 64.859 -1.160 -6.850 1.00 0.16 H new ATOM 0 HD2 ARG A 50 63.185 -2.850 -7.312 1.00 0.22 H new ATOM 0 HD3 ARG A 50 63.173 -2.596 -5.578 1.00 0.22 H new ATOM 0 HE ARG A 50 61.262 -0.807 -6.390 1.00 1.33 H new ATOM 0 HH11 ARG A 50 61.776 -4.240 -7.178 1.00 2.44 H new ATOM 0 HH12 ARG A 50 60.052 -4.532 -7.429 1.00 2.44 H new ATOM 0 HH21 ARG A 50 59.105 -1.257 -6.721 1.00 2.82 H new ATOM 0 HH22 ARG A 50 58.573 -2.880 -7.175 1.00 2.82 H new ATOM 441 N ILE A 51 63.470 3.300 -4.784 1.00 0.16 N ATOM 442 CA ILE A 51 63.143 4.290 -3.760 1.00 0.18 C ATOM 443 C ILE A 51 61.664 4.210 -3.380 1.00 0.13 C ATOM 444 O ILE A 51 60.786 4.308 -4.237 1.00 0.19 O ATOM 445 CB ILE A 51 63.470 5.695 -4.292 1.00 0.30 C ATOM 446 CG1 ILE A 51 64.954 5.769 -4.665 1.00 0.41 C ATOM 447 CG2 ILE A 51 63.169 6.757 -3.228 1.00 0.34 C ATOM 448 CD1 ILE A 51 65.238 7.082 -5.397 1.00 0.56 C ATOM 0 H ILE A 51 63.065 3.491 -5.700 1.00 0.16 H new ATOM 0 HA ILE A 51 63.736 4.084 -2.869 1.00 0.18 H new ATOM 0 HB ILE A 51 62.853 5.886 -5.170 1.00 0.30 H new ATOM 0 HG12 ILE A 51 65.568 5.702 -3.767 1.00 0.41 H new ATOM 0 HG13 ILE A 51 65.222 4.923 -5.298 1.00 0.41 H new ATOM 0 HG21 ILE A 51 63.407 7.745 -3.623 1.00 0.34 H new ATOM 0 HG22 ILE A 51 62.113 6.717 -2.962 1.00 0.34 H new ATOM 0 HG23 ILE A 51 63.774 6.565 -2.341 1.00 0.34 H new ATOM 0 HD11 ILE A 51 66.295 7.131 -5.660 1.00 0.56 H new ATOM 0 HD12 ILE A 51 64.635 7.131 -6.304 1.00 0.56 H new ATOM 0 HD13 ILE A 51 64.987 7.922 -4.749 1.00 0.56 H new ATOM 460 N ASN A 52 61.404 4.081 -2.082 1.00 0.17 N ATOM 461 CA ASN A 52 60.042 4.097 -1.564 1.00 0.18 C ATOM 462 C ASN A 52 60.010 4.838 -0.232 1.00 0.16 C ATOM 463 O ASN A 52 60.368 4.282 0.808 1.00 0.16 O ATOM 464 CB ASN A 52 59.537 2.665 -1.370 1.00 0.25 C ATOM 465 CG ASN A 52 58.035 2.662 -1.099 1.00 0.34 C ATOM 466 OD1 ASN A 52 57.336 3.621 -1.426 1.00 0.88 O ATOM 467 ND2 ASN A 52 57.492 1.629 -0.515 1.00 0.76 N ATOM 0 H ASN A 52 62.123 3.964 -1.368 1.00 0.17 H new ATOM 0 HA ASN A 52 59.396 4.607 -2.278 1.00 0.18 H new ATOM 0 HB2 ASN A 52 59.754 2.073 -2.259 1.00 0.25 H new ATOM 0 HB3 ASN A 52 60.064 2.196 -0.539 1.00 0.25 H new ATOM 0 HD21 ASN A 52 56.489 1.617 -0.330 1.00 0.76 H new ATOM 0 HD22 ASN A 52 58.071 0.834 -0.244 1.00 0.76 H new ATOM 474 N GLY A 53 59.612 6.105 -0.270 1.00 0.17 N ATOM 475 CA GLY A 53 59.571 6.912 0.944 1.00 0.19 C ATOM 476 C GLY A 53 60.967 7.052 1.546 1.00 0.19 C ATOM 477 O GLY A 53 61.924 7.385 0.848 1.00 0.21 O ATOM 0 H GLY A 53 59.317 6.591 -1.117 1.00 0.17 H new ATOM 0 HA2 GLY A 53 59.167 7.899 0.717 1.00 0.19 H new ATOM 0 HA3 GLY A 53 58.901 6.452 1.670 1.00 0.19 H new ATOM 481 N ARG A 54 61.071 6.796 2.845 1.00 0.19 N ATOM 482 CA ARG A 54 62.356 6.889 3.540 1.00 0.20 C ATOM 483 C ARG A 54 63.239 5.652 3.320 1.00 0.20 C ATOM 484 O ARG A 54 64.429 5.687 3.634 1.00 0.21 O ATOM 485 CB ARG A 54 62.119 7.078 5.041 1.00 0.22 C ATOM 486 CG ARG A 54 63.402 7.569 5.716 1.00 0.24 C ATOM 487 CD ARG A 54 63.130 7.823 7.200 1.00 0.27 C ATOM 488 NE ARG A 54 62.904 6.552 7.894 1.00 0.25 N ATOM 489 CZ ARG A 54 62.223 6.448 9.045 1.00 0.38 C ATOM 490 NH1 ARG A 54 61.702 7.490 9.647 1.00 0.62 N ATOM 491 NH2 ARG A 54 62.073 5.268 9.584 1.00 0.41 N ATOM 0 H ARG A 54 60.287 6.524 3.438 1.00 0.19 H new ATOM 0 HA ARG A 54 62.883 7.747 3.123 1.00 0.20 H new ATOM 0 HB2 ARG A 54 61.315 7.796 5.203 1.00 0.22 H new ATOM 0 HB3 ARG A 54 61.800 6.137 5.489 1.00 0.22 H new ATOM 0 HG2 ARG A 54 64.193 6.828 5.602 1.00 0.24 H new ATOM 0 HG3 ARG A 54 63.751 8.484 5.237 1.00 0.24 H new ATOM 0 HD2 ARG A 54 63.975 8.346 7.648 1.00 0.27 H new ATOM 0 HD3 ARG A 54 62.259 8.468 7.313 1.00 0.27 H new ATOM 0 HE ARG A 54 63.285 5.701 7.480 1.00 0.25 H new ATOM 0 HH11 ARG A 54 61.808 8.420 9.241 1.00 0.62 H new ATOM 0 HH12 ARG A 54 61.191 7.371 10.521 1.00 0.62 H new ATOM 0 HH21 ARG A 54 62.471 4.446 9.130 1.00 0.41 H new ATOM 0 HH22 ARG A 54 61.558 5.169 10.459 1.00 0.41 H new ATOM 505 N GLU A 55 62.677 4.559 2.800 1.00 0.21 N ATOM 506 CA GLU A 55 63.427 3.315 2.663 1.00 0.23 C ATOM 507 C GLU A 55 63.866 3.099 1.218 1.00 0.21 C ATOM 508 O GLU A 55 63.131 3.406 0.283 1.00 0.23 O ATOM 509 CB GLU A 55 62.556 2.137 3.102 1.00 0.25 C ATOM 510 CG GLU A 55 62.169 2.306 4.577 1.00 0.93 C ATOM 511 CD GLU A 55 61.362 1.109 5.094 1.00 1.83 C ATOM 512 OE1 GLU A 55 60.953 0.275 4.298 1.00 2.29 O ATOM 513 OE2 GLU A 55 61.159 1.047 6.295 1.00 2.44 O ATOM 0 H GLU A 55 61.713 4.512 2.470 1.00 0.21 H new ATOM 0 HA GLU A 55 64.313 3.381 3.294 1.00 0.23 H new ATOM 0 HB2 GLU A 55 61.660 2.084 2.484 1.00 0.25 H new ATOM 0 HB3 GLU A 55 63.096 1.200 2.962 1.00 0.25 H new ATOM 0 HG2 GLU A 55 63.071 2.424 5.178 1.00 0.93 H new ATOM 0 HG3 GLU A 55 61.584 3.218 4.697 1.00 0.93 H new ATOM 520 N ILE A 56 65.078 2.583 1.045 1.00 0.18 N ATOM 521 CA ILE A 56 65.572 2.215 -0.279 1.00 0.17 C ATOM 522 C ILE A 56 65.918 0.729 -0.286 1.00 0.15 C ATOM 523 O ILE A 56 66.602 0.246 0.615 1.00 0.13 O ATOM 524 CB ILE A 56 66.822 3.032 -0.630 1.00 0.18 C ATOM 525 CG1 ILE A 56 66.503 4.528 -0.544 1.00 0.20 C ATOM 526 CG2 ILE A 56 67.276 2.700 -2.055 1.00 0.18 C ATOM 527 CD1 ILE A 56 67.796 5.341 -0.654 1.00 0.22 C ATOM 0 H ILE A 56 65.737 2.410 1.804 1.00 0.18 H new ATOM 0 HA ILE A 56 64.799 2.423 -1.019 1.00 0.17 H new ATOM 0 HB ILE A 56 67.616 2.784 0.075 1.00 0.18 H new ATOM 0 HG12 ILE A 56 65.817 4.809 -1.343 1.00 0.20 H new ATOM 0 HG13 ILE A 56 66.003 4.749 0.399 1.00 0.20 H new ATOM 0 HG21 ILE A 56 68.164 3.283 -2.299 1.00 0.18 H new ATOM 0 HG22 ILE A 56 67.509 1.637 -2.124 1.00 0.18 H new ATOM 0 HG23 ILE A 56 66.478 2.943 -2.757 1.00 0.18 H new ATOM 0 HD11 ILE A 56 67.564 6.404 -0.592 1.00 0.22 H new ATOM 0 HD12 ILE A 56 68.468 5.068 0.160 1.00 0.22 H new ATOM 0 HD13 ILE A 56 68.278 5.130 -1.608 1.00 0.22 H new ATOM 539 N ASN A 57 65.448 0.008 -1.298 1.00 0.16 N ATOM 540 CA ASN A 57 65.808 -1.399 -1.448 1.00 0.16 C ATOM 541 C ASN A 57 66.885 -1.511 -2.519 1.00 0.15 C ATOM 542 O ASN A 57 66.726 -0.984 -3.616 1.00 0.17 O ATOM 543 CB ASN A 57 64.583 -2.222 -1.849 1.00 0.19 C ATOM 544 CG ASN A 57 63.497 -2.097 -0.785 1.00 0.24 C ATOM 545 OD1 ASN A 57 62.331 -1.875 -1.111 1.00 1.23 O ATOM 546 ND2 ASN A 57 63.813 -2.227 0.475 1.00 0.96 N ATOM 0 H ASN A 57 64.824 0.368 -2.020 1.00 0.16 H new ATOM 0 HA ASN A 57 66.182 -1.786 -0.500 1.00 0.16 H new ATOM 0 HB2 ASN A 57 64.202 -1.877 -2.811 1.00 0.19 H new ATOM 0 HB3 ASN A 57 64.863 -3.268 -1.973 1.00 0.19 H new ATOM 0 HD21 ASN A 57 63.093 -2.145 1.193 1.00 0.96 H new ATOM 0 HD22 ASN A 57 64.780 -2.411 0.742 1.00 0.96 H new ATOM 553 N VAL A 58 67.978 -2.199 -2.210 1.00 0.14 N ATOM 554 CA VAL A 58 69.161 -2.154 -3.069 1.00 0.13 C ATOM 555 C VAL A 58 69.599 -3.556 -3.481 1.00 0.11 C ATOM 556 O VAL A 58 69.581 -4.489 -2.678 1.00 0.10 O ATOM 557 CB VAL A 58 70.316 -1.459 -2.332 1.00 0.14 C ATOM 558 CG1 VAL A 58 71.511 -1.293 -3.279 1.00 0.15 C ATOM 559 CG2 VAL A 58 69.884 -0.076 -1.829 1.00 0.16 C ATOM 0 H VAL A 58 68.073 -2.788 -1.383 1.00 0.14 H new ATOM 0 HA VAL A 58 68.902 -1.593 -3.967 1.00 0.13 H new ATOM 0 HB VAL A 58 70.598 -2.077 -1.479 1.00 0.14 H new ATOM 0 HG11 VAL A 58 72.327 -0.800 -2.752 1.00 0.15 H new ATOM 0 HG12 VAL A 58 71.841 -2.273 -3.623 1.00 0.15 H new ATOM 0 HG13 VAL A 58 71.215 -0.688 -4.136 1.00 0.15 H new ATOM 0 HG21 VAL A 58 70.717 0.399 -1.310 1.00 0.16 H new ATOM 0 HG22 VAL A 58 69.584 0.542 -2.676 1.00 0.16 H new ATOM 0 HG23 VAL A 58 69.044 -0.184 -1.143 1.00 0.16 H new ATOM 569 N THR A 59 70.008 -3.679 -4.741 1.00 0.12 N ATOM 570 CA THR A 59 70.585 -4.919 -5.245 1.00 0.12 C ATOM 571 C THR A 59 72.010 -4.658 -5.726 1.00 0.14 C ATOM 572 O THR A 59 72.251 -3.746 -6.519 1.00 0.15 O ATOM 573 CB THR A 59 69.739 -5.449 -6.408 1.00 0.15 C ATOM 574 OG1 THR A 59 68.388 -5.571 -5.986 1.00 0.15 O ATOM 575 CG2 THR A 59 70.255 -6.818 -6.863 1.00 0.17 C ATOM 0 H THR A 59 69.950 -2.932 -5.433 1.00 0.12 H new ATOM 0 HA THR A 59 70.601 -5.660 -4.446 1.00 0.12 H new ATOM 0 HB THR A 59 69.807 -4.752 -7.243 1.00 0.15 H new ATOM 0 HG1 THR A 59 67.843 -5.908 -6.727 1.00 0.15 H new ATOM 0 HG21 THR A 59 69.644 -7.181 -7.689 1.00 0.17 H new ATOM 0 HG22 THR A 59 71.291 -6.726 -7.191 1.00 0.17 H new ATOM 0 HG23 THR A 59 70.198 -7.522 -6.033 1.00 0.17 H new ATOM 583 N LYS A 60 72.954 -5.450 -5.230 1.00 0.15 N ATOM 584 CA LYS A 60 74.344 -5.328 -5.652 1.00 0.20 C ATOM 585 C LYS A 60 74.599 -6.137 -6.918 1.00 0.24 C ATOM 586 O LYS A 60 73.888 -7.098 -7.207 1.00 0.24 O ATOM 587 CB LYS A 60 75.276 -5.835 -4.551 1.00 0.21 C ATOM 588 CG LYS A 60 75.168 -4.933 -3.321 1.00 0.87 C ATOM 589 CD LYS A 60 76.189 -5.389 -2.276 1.00 0.89 C ATOM 590 CE LYS A 60 76.017 -4.573 -0.994 1.00 1.70 C ATOM 591 NZ LYS A 60 77.272 -4.635 -0.195 1.00 1.91 N ATOM 0 H LYS A 60 72.783 -6.180 -4.538 1.00 0.15 H new ATOM 0 HA LYS A 60 74.541 -4.275 -5.851 1.00 0.20 H new ATOM 0 HB2 LYS A 60 75.016 -6.860 -4.285 1.00 0.21 H new ATOM 0 HB3 LYS A 60 76.304 -5.851 -4.912 1.00 0.21 H new ATOM 0 HG2 LYS A 60 75.351 -3.895 -3.598 1.00 0.87 H new ATOM 0 HG3 LYS A 60 74.160 -4.979 -2.908 1.00 0.87 H new ATOM 0 HD2 LYS A 60 76.057 -6.450 -2.063 1.00 0.89 H new ATOM 0 HD3 LYS A 60 77.200 -5.265 -2.664 1.00 0.89 H new ATOM 0 HE2 LYS A 60 75.779 -3.538 -1.238 1.00 1.70 H new ATOM 0 HE3 LYS A 60 75.182 -4.963 -0.411 1.00 1.70 H new ATOM 0 HZ1 LYS A 60 77.220 -3.951 0.586 1.00 1.91 H new ATOM 0 HZ2 LYS A 60 77.391 -5.593 0.191 1.00 1.91 H new ATOM 0 HZ3 LYS A 60 78.083 -4.405 -0.804 1.00 1.91 H new ATOM 605 N LYS A 61 75.645 -5.770 -7.647 1.00 0.31 N ATOM 606 CA LYS A 61 76.026 -6.520 -8.843 1.00 0.36 C ATOM 607 C LYS A 61 76.225 -8.008 -8.537 1.00 0.33 C ATOM 608 O LYS A 61 76.001 -8.856 -9.401 1.00 0.35 O ATOM 609 CB LYS A 61 77.316 -5.944 -9.428 1.00 0.46 C ATOM 610 CG LYS A 61 77.062 -4.518 -9.920 1.00 1.13 C ATOM 611 CD LYS A 61 78.379 -3.894 -10.386 1.00 1.08 C ATOM 612 CE LYS A 61 78.855 -4.597 -11.659 1.00 2.17 C ATOM 613 NZ LYS A 61 79.995 -3.839 -12.247 1.00 2.43 N ATOM 0 H LYS A 61 76.240 -4.968 -7.437 1.00 0.31 H new ATOM 0 HA LYS A 61 75.215 -6.427 -9.565 1.00 0.36 H new ATOM 0 HB2 LYS A 61 78.102 -5.945 -8.673 1.00 0.46 H new ATOM 0 HB3 LYS A 61 77.664 -6.567 -10.251 1.00 0.46 H new ATOM 0 HG2 LYS A 61 76.343 -4.528 -10.739 1.00 1.13 H new ATOM 0 HG3 LYS A 61 76.627 -3.919 -9.120 1.00 1.13 H new ATOM 0 HD2 LYS A 61 78.242 -2.829 -10.575 1.00 1.08 H new ATOM 0 HD3 LYS A 61 79.133 -3.984 -9.604 1.00 1.08 H new ATOM 0 HE2 LYS A 61 79.162 -5.618 -11.431 1.00 2.17 H new ATOM 0 HE3 LYS A 61 78.038 -4.663 -12.378 1.00 2.17 H new ATOM 0 HZ1 LYS A 61 80.319 -4.316 -13.112 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 79.687 -2.873 -12.479 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 80.775 -3.798 -11.561 1.00 2.43 H new ATOM 627 N ASP A 62 76.643 -8.328 -7.313 1.00 0.29 N ATOM 628 CA ASP A 62 76.920 -9.716 -6.938 1.00 0.30 C ATOM 629 C ASP A 62 75.660 -10.484 -6.515 1.00 0.28 C ATOM 630 O ASP A 62 75.763 -11.533 -5.879 1.00 0.30 O ATOM 631 CB ASP A 62 77.936 -9.738 -5.795 1.00 0.32 C ATOM 632 CG ASP A 62 78.456 -11.156 -5.579 1.00 0.40 C ATOM 633 OD1 ASP A 62 79.348 -11.556 -6.309 1.00 0.81 O ATOM 634 OD2 ASP A 62 77.956 -11.820 -4.686 1.00 1.11 O ATOM 0 H ASP A 62 76.797 -7.650 -6.567 1.00 0.29 H new ATOM 0 HA ASP A 62 77.318 -10.215 -7.821 1.00 0.30 H new ATOM 0 HB2 ASP A 62 78.766 -9.069 -6.024 1.00 0.32 H new ATOM 0 HB3 ASP A 62 77.473 -9.369 -4.880 1.00 0.32 H new ATOM 639 N SER A 63 74.473 -9.977 -6.861 1.00 0.26 N ATOM 640 CA SER A 63 73.207 -10.656 -6.555 1.00 0.28 C ATOM 641 C SER A 63 72.832 -10.606 -5.067 1.00 0.24 C ATOM 642 O SER A 63 71.751 -11.070 -4.698 1.00 0.26 O ATOM 643 CB SER A 63 73.239 -12.118 -7.015 1.00 0.36 C ATOM 644 OG SER A 63 73.830 -12.186 -8.306 1.00 1.09 O ATOM 0 H SER A 63 74.361 -9.093 -7.357 1.00 0.26 H new ATOM 0 HA SER A 63 72.443 -10.107 -7.106 1.00 0.28 H new ATOM 0 HB2 SER A 63 73.808 -12.722 -6.309 1.00 0.36 H new ATOM 0 HB3 SER A 63 72.229 -12.526 -7.042 1.00 0.36 H new ATOM 0 HG SER A 63 73.855 -13.119 -8.606 1.00 1.09 H new ATOM 650 N ASN A 64 73.698 -10.058 -4.213 1.00 0.20 N ATOM 651 CA ASN A 64 73.372 -9.918 -2.796 1.00 0.18 C ATOM 652 C ASN A 64 72.345 -8.807 -2.607 1.00 0.15 C ATOM 653 O ASN A 64 72.464 -7.740 -3.206 1.00 0.14 O ATOM 654 CB ASN A 64 74.636 -9.587 -2.000 1.00 0.19 C ATOM 655 CG ASN A 64 75.639 -10.735 -2.093 1.00 0.24 C ATOM 656 OD1 ASN A 64 75.261 -11.874 -2.368 1.00 0.85 O ATOM 657 ND2 ASN A 64 76.904 -10.501 -1.877 1.00 0.87 N ATOM 0 H ASN A 64 74.620 -9.708 -4.475 1.00 0.20 H new ATOM 0 HA ASN A 64 72.956 -10.859 -2.435 1.00 0.18 H new ATOM 0 HB2 ASN A 64 75.085 -8.671 -2.383 1.00 0.19 H new ATOM 0 HB3 ASN A 64 74.379 -9.404 -0.957 1.00 0.19 H new ATOM 0 HD21 ASN A 64 77.581 -11.262 -1.936 1.00 0.87 H new ATOM 0 HD22 ASN A 64 77.216 -9.557 -1.649 1.00 0.87 H new ATOM 664 N ARG A 65 71.332 -9.055 -1.778 1.00 0.15 N ATOM 665 CA ARG A 65 70.274 -8.069 -1.565 1.00 0.14 C ATOM 666 C ARG A 65 70.310 -7.517 -0.143 1.00 0.12 C ATOM 667 O ARG A 65 70.596 -8.236 0.819 1.00 0.14 O ATOM 668 CB ARG A 65 68.911 -8.719 -1.817 1.00 0.18 C ATOM 669 CG ARG A 65 68.809 -9.131 -3.288 1.00 0.21 C ATOM 670 CD ARG A 65 67.403 -9.655 -3.592 1.00 0.51 C ATOM 671 NE ARG A 65 67.069 -10.791 -2.726 1.00 1.47 N ATOM 672 CZ ARG A 65 66.195 -11.750 -3.068 1.00 2.00 C ATOM 673 NH1 ARG A 65 65.564 -11.743 -4.219 1.00 2.52 N ATOM 674 NH2 ARG A 65 65.965 -12.722 -2.230 1.00 2.51 N ATOM 0 H ARG A 65 71.222 -9.920 -1.248 1.00 0.15 H new ATOM 0 HA ARG A 65 70.434 -7.245 -2.260 1.00 0.14 H new ATOM 0 HB2 ARG A 65 68.787 -9.591 -1.174 1.00 0.18 H new ATOM 0 HB3 ARG A 65 68.111 -8.022 -1.567 1.00 0.18 H new ATOM 0 HG2 ARG A 65 69.034 -8.278 -3.929 1.00 0.21 H new ATOM 0 HG3 ARG A 65 69.548 -9.901 -3.510 1.00 0.21 H new ATOM 0 HD2 ARG A 65 66.674 -8.857 -3.449 1.00 0.51 H new ATOM 0 HD3 ARG A 65 67.342 -9.959 -4.637 1.00 0.51 H new ATOM 0 HE ARG A 65 67.525 -10.855 -1.816 1.00 1.47 H new ATOM 0 HH11 ARG A 65 65.731 -10.991 -4.888 1.00 2.52 H new ATOM 0 HH12 ARG A 65 64.906 -12.489 -4.445 1.00 2.52 H new ATOM 0 HH21 ARG A 65 66.446 -12.745 -1.331 1.00 2.51 H new ATOM 0 HH22 ARG A 65 65.304 -13.459 -2.473 1.00 2.51 H new ATOM 688 N TYR A 66 69.993 -6.232 -0.013 1.00 0.10 N ATOM 689 CA TYR A 66 69.951 -5.602 1.300 1.00 0.10 C ATOM 690 C TYR A 66 68.990 -4.416 1.314 1.00 0.09 C ATOM 691 O TYR A 66 68.572 -3.926 0.266 1.00 0.10 O ATOM 692 CB TYR A 66 71.356 -5.159 1.718 1.00 0.10 C ATOM 693 CG TYR A 66 71.907 -3.976 0.953 1.00 0.09 C ATOM 694 CD1 TYR A 66 71.633 -2.673 1.384 1.00 0.09 C ATOM 695 CD2 TYR A 66 72.717 -4.186 -0.171 1.00 0.12 C ATOM 696 CE1 TYR A 66 72.169 -1.580 0.695 1.00 0.12 C ATOM 697 CE2 TYR A 66 73.248 -3.092 -0.862 1.00 0.15 C ATOM 698 CZ TYR A 66 72.977 -1.788 -0.429 1.00 0.15 C ATOM 699 OH TYR A 66 73.508 -0.711 -1.106 1.00 0.19 O ATOM 0 H TYR A 66 69.764 -5.614 -0.791 1.00 0.10 H new ATOM 0 HA TYR A 66 69.584 -6.336 2.017 1.00 0.10 H new ATOM 0 HB2 TYR A 66 71.342 -4.912 2.779 1.00 0.10 H new ATOM 0 HB3 TYR A 66 72.038 -6.001 1.596 1.00 0.10 H new ATOM 0 HD1 TYR A 66 71.007 -2.511 2.249 1.00 0.09 H new ATOM 0 HD2 TYR A 66 72.931 -5.191 -0.503 1.00 0.12 H new ATOM 0 HE1 TYR A 66 71.959 -0.575 1.030 1.00 0.12 H new ATOM 0 HE2 TYR A 66 73.868 -3.253 -1.731 1.00 0.15 H new ATOM 0 HH TYR A 66 72.827 -0.012 -1.194 1.00 0.19 H new ATOM 709 N THR A 67 68.645 -3.961 2.515 1.00 0.09 N ATOM 710 CA THR A 67 67.754 -2.817 2.679 1.00 0.10 C ATOM 711 C THR A 67 68.424 -1.755 3.545 1.00 0.09 C ATOM 712 O THR A 67 69.038 -2.067 4.565 1.00 0.10 O ATOM 713 CB THR A 67 66.446 -3.265 3.334 1.00 0.12 C ATOM 714 OG1 THR A 67 65.879 -4.327 2.577 1.00 0.14 O ATOM 715 CG2 THR A 67 65.465 -2.091 3.380 1.00 0.14 C ATOM 0 H THR A 67 68.970 -4.369 3.392 1.00 0.09 H new ATOM 0 HA THR A 67 67.538 -2.394 1.698 1.00 0.10 H new ATOM 0 HB THR A 67 66.648 -3.607 4.349 1.00 0.12 H new ATOM 0 HG1 THR A 67 65.042 -4.617 2.996 1.00 0.14 H new ATOM 0 HG21 THR A 67 64.534 -2.413 3.847 1.00 0.14 H new ATOM 0 HG22 THR A 67 65.899 -1.277 3.960 1.00 0.14 H new ATOM 0 HG23 THR A 67 65.262 -1.747 2.366 1.00 0.14 H new ATOM 723 N THR A 68 68.302 -0.495 3.137 1.00 0.09 N ATOM 724 CA THR A 68 68.923 0.602 3.882 1.00 0.09 C ATOM 725 C THR A 68 67.910 1.701 4.188 1.00 0.11 C ATOM 726 O THR A 68 67.023 1.985 3.384 1.00 0.14 O ATOM 727 CB THR A 68 70.091 1.177 3.074 1.00 0.10 C ATOM 728 OG1 THR A 68 70.709 2.218 3.816 1.00 0.11 O ATOM 729 CG2 THR A 68 69.590 1.723 1.734 1.00 0.12 C ATOM 0 H THR A 68 67.786 -0.208 2.305 1.00 0.09 H new ATOM 0 HA THR A 68 69.292 0.209 4.829 1.00 0.09 H new ATOM 0 HB THR A 68 70.815 0.386 2.880 1.00 0.10 H new ATOM 0 HG1 THR A 68 70.989 1.875 4.690 1.00 0.11 H new ATOM 0 HG21 THR A 68 70.430 2.129 1.170 1.00 0.12 H new ATOM 0 HG22 THR A 68 69.125 0.919 1.164 1.00 0.12 H new ATOM 0 HG23 THR A 68 68.859 2.511 1.913 1.00 0.12 H new ATOM 737 N TYR A 69 68.051 2.317 5.358 1.00 0.09 N ATOM 738 CA TYR A 69 67.175 3.418 5.746 1.00 0.10 C ATOM 739 C TYR A 69 67.910 4.747 5.610 1.00 0.10 C ATOM 740 O TYR A 69 69.097 4.837 5.928 1.00 0.09 O ATOM 741 CB TYR A 69 66.722 3.233 7.196 1.00 0.12 C ATOM 742 CG TYR A 69 66.027 1.915 7.444 1.00 0.16 C ATOM 743 CD1 TYR A 69 66.771 0.793 7.827 1.00 0.26 C ATOM 744 CD2 TYR A 69 64.639 1.815 7.293 1.00 0.16 C ATOM 745 CE1 TYR A 69 66.129 -0.429 8.058 1.00 0.30 C ATOM 746 CE2 TYR A 69 63.995 0.593 7.524 1.00 0.20 C ATOM 747 CZ TYR A 69 64.740 -0.529 7.907 1.00 0.24 C ATOM 748 OH TYR A 69 64.106 -1.733 8.135 1.00 0.29 O ATOM 0 H TYR A 69 68.759 2.074 6.051 1.00 0.09 H new ATOM 0 HA TYR A 69 66.304 3.422 5.090 1.00 0.10 H new ATOM 0 HB2 TYR A 69 67.589 3.307 7.852 1.00 0.12 H new ATOM 0 HB3 TYR A 69 66.048 4.047 7.465 1.00 0.12 H new ATOM 0 HD1 TYR A 69 67.842 0.870 7.944 1.00 0.26 H new ATOM 0 HD2 TYR A 69 64.064 2.681 6.998 1.00 0.16 H new ATOM 0 HE1 TYR A 69 66.704 -1.294 8.353 1.00 0.30 H new ATOM 0 HE2 TYR A 69 62.924 0.516 7.407 1.00 0.20 H new ATOM 0 HH TYR A 69 63.143 -1.629 7.987 1.00 0.29 H new ATOM 758 N ILE A 70 67.209 5.776 5.139 1.00 0.12 N ATOM 759 CA ILE A 70 67.829 7.090 4.976 1.00 0.13 C ATOM 760 C ILE A 70 67.525 7.969 6.195 1.00 0.13 C ATOM 761 O ILE A 70 66.387 8.427 6.323 1.00 0.16 O ATOM 762 CB ILE A 70 67.286 7.811 3.733 1.00 0.17 C ATOM 763 CG1 ILE A 70 67.298 6.899 2.499 1.00 0.18 C ATOM 764 CG2 ILE A 70 68.169 9.026 3.447 1.00 0.19 C ATOM 765 CD1 ILE A 70 66.536 7.571 1.353 1.00 0.34 C ATOM 0 H ILE A 70 66.227 5.729 4.867 1.00 0.12 H new ATOM 0 HA ILE A 70 68.902 6.932 4.869 1.00 0.13 H new ATOM 0 HB ILE A 70 66.256 8.106 3.933 1.00 0.17 H new ATOM 0 HG12 ILE A 70 68.325 6.695 2.195 1.00 0.18 H new ATOM 0 HG13 ILE A 70 66.840 5.939 2.740 1.00 0.18 H new ATOM 0 HG21 ILE A 70 67.795 9.548 2.566 1.00 0.19 H new ATOM 0 HG22 ILE A 70 68.150 9.700 4.304 1.00 0.19 H new ATOM 0 HG23 ILE A 70 69.193 8.698 3.267 1.00 0.19 H new ATOM 0 HD11 ILE A 70 66.547 6.921 0.478 1.00 0.34 H new ATOM 0 HD12 ILE A 70 65.505 7.752 1.658 1.00 0.34 H new ATOM 0 HD13 ILE A 70 67.013 8.519 1.106 1.00 0.34 H new ATOM 777 N PRO A 71 68.467 8.223 7.084 1.00 0.13 N ATOM 778 CA PRO A 71 68.187 9.071 8.286 1.00 0.14 C ATOM 779 C PRO A 71 67.626 10.442 7.903 1.00 0.14 C ATOM 780 O PRO A 71 66.697 10.940 8.540 1.00 0.14 O ATOM 781 CB PRO A 71 69.533 9.193 9.015 1.00 0.16 C ATOM 782 CG PRO A 71 70.570 8.646 8.094 1.00 0.18 C ATOM 783 CD PRO A 71 69.856 7.727 7.104 1.00 0.16 C ATOM 0 HA PRO A 71 67.423 8.622 8.920 1.00 0.14 H new ATOM 0 HB2 PRO A 71 69.746 10.233 9.263 1.00 0.16 H new ATOM 0 HB3 PRO A 71 69.517 8.638 9.953 1.00 0.16 H new ATOM 0 HG2 PRO A 71 71.083 9.452 7.569 1.00 0.18 H new ATOM 0 HG3 PRO A 71 71.328 8.096 8.652 1.00 0.18 H new ATOM 0 HD2 PRO A 71 70.311 7.778 6.115 1.00 0.16 H new ATOM 0 HD3 PRO A 71 69.902 6.686 7.423 1.00 0.16 H new ATOM 791 N VAL A 72 68.191 11.045 6.861 1.00 0.16 N ATOM 792 CA VAL A 72 67.684 12.312 6.345 1.00 0.19 C ATOM 793 C VAL A 72 67.698 12.277 4.820 1.00 0.21 C ATOM 794 O VAL A 72 68.674 11.832 4.216 1.00 0.30 O ATOM 795 CB VAL A 72 68.539 13.479 6.852 1.00 0.20 C ATOM 796 CG1 VAL A 72 67.942 14.804 6.373 1.00 1.34 C ATOM 797 CG2 VAL A 72 68.569 13.468 8.383 1.00 1.40 C ATOM 0 H VAL A 72 68.999 10.677 6.358 1.00 0.16 H new ATOM 0 HA VAL A 72 66.663 12.457 6.697 1.00 0.19 H new ATOM 0 HB VAL A 72 69.552 13.373 6.464 1.00 0.20 H new ATOM 0 HG11 VAL A 72 68.553 15.631 6.736 1.00 1.34 H new ATOM 0 HG12 VAL A 72 67.920 14.820 5.283 1.00 1.34 H new ATOM 0 HG13 VAL A 72 66.928 14.906 6.758 1.00 1.34 H new ATOM 0 HG21 VAL A 72 69.177 14.299 8.741 1.00 1.40 H new ATOM 0 HG22 VAL A 72 67.554 13.569 8.768 1.00 1.40 H new ATOM 0 HG23 VAL A 72 68.997 12.528 8.732 1.00 1.40 H new ATOM 807 N GLN A 73 66.624 12.756 4.199 1.00 0.34 N ATOM 808 CA GLN A 73 66.517 12.709 2.745 1.00 0.41 C ATOM 809 C GLN A 73 67.683 13.453 2.101 1.00 0.28 C ATOM 810 O GLN A 73 67.998 14.582 2.478 1.00 0.37 O ATOM 811 CB GLN A 73 65.196 13.336 2.296 1.00 0.66 C ATOM 812 CG GLN A 73 64.028 12.492 2.812 1.00 1.37 C ATOM 813 CD GLN A 73 62.695 13.143 2.452 1.00 1.56 C ATOM 814 OE1 GLN A 73 62.639 14.332 2.137 1.00 1.56 O ATOM 815 NE2 GLN A 73 61.605 12.425 2.479 1.00 2.32 N ATOM 0 H GLN A 73 65.825 13.176 4.673 1.00 0.34 H new ATOM 0 HA GLN A 73 66.546 11.666 2.430 1.00 0.41 H new ATOM 0 HB2 GLN A 73 65.118 14.355 2.675 1.00 0.66 H new ATOM 0 HB3 GLN A 73 65.162 13.397 1.208 1.00 0.66 H new ATOM 0 HG2 GLN A 73 64.078 11.491 2.383 1.00 1.37 H new ATOM 0 HG3 GLN A 73 64.104 12.379 3.894 1.00 1.37 H new ATOM 0 HE21 GLN A 73 61.650 11.440 2.740 1.00 2.32 H new ATOM 0 HE22 GLN A 73 60.709 12.849 2.239 1.00 2.32 H new ATOM 824 N ASP A 74 68.319 12.809 1.126 1.00 0.27 N ATOM 825 CA ASP A 74 69.465 13.398 0.438 1.00 0.39 C ATOM 826 C ASP A 74 69.160 13.562 -1.056 1.00 0.34 C ATOM 827 O ASP A 74 69.419 12.642 -1.836 1.00 0.32 O ATOM 828 CB ASP A 74 70.683 12.487 0.631 1.00 0.60 C ATOM 829 CG ASP A 74 71.968 13.308 0.623 1.00 1.00 C ATOM 830 OD1 ASP A 74 72.224 13.965 -0.373 1.00 1.52 O ATOM 831 OD2 ASP A 74 72.677 13.265 1.616 1.00 1.61 O ATOM 0 H ASP A 74 68.061 11.880 0.794 1.00 0.27 H new ATOM 0 HA ASP A 74 69.674 14.383 0.855 1.00 0.39 H new ATOM 0 HB2 ASP A 74 70.595 11.947 1.574 1.00 0.60 H new ATOM 0 HB3 ASP A 74 70.716 11.740 -0.163 1.00 0.60 H new ATOM 836 N PRO A 75 68.612 14.682 -1.482 1.00 0.36 N ATOM 837 CA PRO A 75 68.283 14.891 -2.929 1.00 0.36 C ATOM 838 C PRO A 75 69.509 14.758 -3.830 1.00 0.29 C ATOM 839 O PRO A 75 69.397 14.355 -4.989 1.00 0.30 O ATOM 840 CB PRO A 75 67.726 16.317 -2.985 1.00 0.47 C ATOM 841 CG PRO A 75 67.245 16.592 -1.603 1.00 0.53 C ATOM 842 CD PRO A 75 68.226 15.866 -0.688 1.00 0.45 C ATOM 0 HA PRO A 75 67.581 14.140 -3.291 1.00 0.36 H new ATOM 0 HB2 PRO A 75 68.494 17.030 -3.286 1.00 0.47 H new ATOM 0 HB3 PRO A 75 66.915 16.397 -3.709 1.00 0.47 H new ATOM 0 HG2 PRO A 75 67.231 17.662 -1.396 1.00 0.53 H new ATOM 0 HG3 PRO A 75 66.228 16.227 -1.460 1.00 0.53 H new ATOM 0 HD2 PRO A 75 69.088 16.488 -0.447 1.00 0.45 H new ATOM 0 HD3 PRO A 75 67.762 15.584 0.257 1.00 0.45 H new ATOM 850 N LYS A 76 70.676 15.098 -3.293 1.00 0.26 N ATOM 851 CA LYS A 76 71.916 15.006 -4.060 1.00 0.26 C ATOM 852 C LYS A 76 72.220 13.561 -4.466 1.00 0.22 C ATOM 853 O LYS A 76 72.782 13.315 -5.534 1.00 0.22 O ATOM 854 CB LYS A 76 73.082 15.573 -3.247 1.00 0.28 C ATOM 855 CG LYS A 76 74.340 15.625 -4.118 1.00 0.36 C ATOM 856 CD LYS A 76 75.523 16.114 -3.282 1.00 0.82 C ATOM 857 CE LYS A 76 76.740 16.316 -4.186 1.00 0.97 C ATOM 858 NZ LYS A 76 77.984 16.237 -3.370 1.00 1.84 N ATOM 0 H LYS A 76 70.791 15.437 -2.338 1.00 0.26 H new ATOM 0 HA LYS A 76 71.788 15.593 -4.970 1.00 0.26 H new ATOM 0 HB2 LYS A 76 72.835 16.572 -2.887 1.00 0.28 H new ATOM 0 HB3 LYS A 76 73.261 14.953 -2.369 1.00 0.28 H new ATOM 0 HG2 LYS A 76 74.553 14.637 -4.525 1.00 0.36 H new ATOM 0 HG3 LYS A 76 74.180 16.292 -4.966 1.00 0.36 H new ATOM 0 HD2 LYS A 76 75.268 17.049 -2.784 1.00 0.82 H new ATOM 0 HD3 LYS A 76 75.754 15.390 -2.501 1.00 0.82 H new ATOM 0 HE2 LYS A 76 76.756 15.556 -4.967 1.00 0.97 H new ATOM 0 HE3 LYS A 76 76.680 17.284 -4.684 1.00 0.97 H new ATOM 0 HZ1 LYS A 76 78.812 16.374 -3.985 1.00 1.84 H new ATOM 0 HZ2 LYS A 76 77.968 16.978 -2.640 1.00 1.84 H new ATOM 0 HZ3 LYS A 76 78.042 15.304 -2.915 1.00 1.84 H new ATOM 872 N LEU A 77 71.834 12.605 -3.624 1.00 0.20 N ATOM 873 CA LEU A 77 72.140 11.203 -3.890 1.00 0.20 C ATOM 874 C LEU A 77 71.579 10.774 -5.244 1.00 0.19 C ATOM 875 O LEU A 77 72.224 10.028 -5.978 1.00 0.19 O ATOM 876 CB LEU A 77 71.548 10.323 -2.785 1.00 0.23 C ATOM 877 CG LEU A 77 71.993 8.873 -2.985 1.00 0.25 C ATOM 878 CD1 LEU A 77 73.483 8.746 -2.664 1.00 0.26 C ATOM 879 CD2 LEU A 77 71.192 7.965 -2.049 1.00 0.27 C ATOM 0 H LEU A 77 71.315 12.773 -2.762 1.00 0.20 H new ATOM 0 HA LEU A 77 73.223 11.085 -3.909 1.00 0.20 H new ATOM 0 HB2 LEU A 77 71.873 10.682 -1.808 1.00 0.23 H new ATOM 0 HB3 LEU A 77 70.460 10.385 -2.802 1.00 0.23 H new ATOM 0 HG LEU A 77 71.819 8.578 -4.020 1.00 0.25 H new ATOM 0 HD11 LEU A 77 73.799 7.713 -2.807 1.00 0.26 H new ATOM 0 HD12 LEU A 77 74.055 9.395 -3.327 1.00 0.26 H new ATOM 0 HD13 LEU A 77 73.659 9.039 -1.629 1.00 0.26 H new ATOM 0 HD21 LEU A 77 71.506 6.931 -2.189 1.00 0.27 H new ATOM 0 HD22 LEU A 77 71.369 8.262 -1.015 1.00 0.27 H new ATOM 0 HD23 LEU A 77 70.130 8.055 -2.276 1.00 0.27 H new ATOM 891 N LEU A 78 70.392 11.270 -5.582 1.00 0.20 N ATOM 892 CA LEU A 78 69.756 10.891 -6.839 1.00 0.24 C ATOM 893 C LEU A 78 70.642 11.280 -8.018 1.00 0.21 C ATOM 894 O LEU A 78 70.903 10.474 -8.911 1.00 0.22 O ATOM 895 CB LEU A 78 68.397 11.584 -6.969 1.00 0.31 C ATOM 896 CG LEU A 78 67.503 11.205 -5.785 1.00 0.37 C ATOM 897 CD1 LEU A 78 66.191 11.986 -5.869 1.00 0.45 C ATOM 898 CD2 LEU A 78 67.199 9.705 -5.826 1.00 0.47 C ATOM 0 H LEU A 78 69.858 11.926 -5.012 1.00 0.20 H new ATOM 0 HA LEU A 78 69.612 9.811 -6.843 1.00 0.24 H new ATOM 0 HB2 LEU A 78 68.532 12.665 -7.002 1.00 0.31 H new ATOM 0 HB3 LEU A 78 67.919 11.293 -7.904 1.00 0.31 H new ATOM 0 HG LEU A 78 68.017 11.446 -4.855 1.00 0.37 H new ATOM 0 HD11 LEU A 78 65.553 11.717 -5.027 1.00 0.45 H new ATOM 0 HD12 LEU A 78 66.401 13.055 -5.838 1.00 0.45 H new ATOM 0 HD13 LEU A 78 65.682 11.743 -6.802 1.00 0.45 H new ATOM 0 HD21 LEU A 78 66.563 9.440 -4.982 1.00 0.47 H new ATOM 0 HD22 LEU A 78 66.686 9.463 -6.757 1.00 0.47 H new ATOM 0 HD23 LEU A 78 68.131 9.143 -5.768 1.00 0.47 H new ATOM 910 N ASP A 79 71.143 12.510 -7.991 1.00 0.20 N ATOM 911 CA ASP A 79 71.976 13.003 -9.083 1.00 0.23 C ATOM 912 C ASP A 79 73.217 12.133 -9.250 1.00 0.22 C ATOM 913 O ASP A 79 73.616 11.815 -10.371 1.00 0.25 O ATOM 914 CB ASP A 79 72.394 14.451 -8.815 1.00 0.24 C ATOM 915 CG ASP A 79 73.106 15.023 -10.036 1.00 0.87 C ATOM 916 OD1 ASP A 79 72.422 15.481 -10.935 1.00 1.83 O ATOM 917 OD2 ASP A 79 74.325 14.994 -10.054 1.00 0.84 O ATOM 0 H ASP A 79 70.990 13.177 -7.235 1.00 0.20 H new ATOM 0 HA ASP A 79 71.393 12.961 -10.003 1.00 0.23 H new ATOM 0 HB2 ASP A 79 71.517 15.054 -8.580 1.00 0.24 H new ATOM 0 HB3 ASP A 79 73.052 14.494 -7.947 1.00 0.24 H new ATOM 922 N ASN A 80 73.810 11.730 -8.132 1.00 0.20 N ATOM 923 CA ASN A 80 75.008 10.901 -8.180 1.00 0.22 C ATOM 924 C ASN A 80 74.725 9.584 -8.898 1.00 0.23 C ATOM 925 O ASN A 80 75.449 9.198 -9.817 1.00 0.26 O ATOM 926 CB ASN A 80 75.490 10.611 -6.756 1.00 0.22 C ATOM 927 CG ASN A 80 76.924 10.090 -6.773 1.00 0.27 C ATOM 928 OD1 ASN A 80 77.661 10.317 -7.734 1.00 0.64 O ATOM 929 ND2 ASN A 80 77.369 9.403 -5.756 1.00 0.66 N ATOM 0 H ASN A 80 73.486 11.960 -7.193 1.00 0.20 H new ATOM 0 HA ASN A 80 75.780 11.440 -8.729 1.00 0.22 H new ATOM 0 HB2 ASN A 80 75.434 11.518 -6.155 1.00 0.22 H new ATOM 0 HB3 ASN A 80 74.835 9.877 -6.287 1.00 0.22 H new ATOM 0 HD21 ASN A 80 78.327 9.054 -5.757 1.00 0.66 H new ATOM 0 HD22 ASN A 80 76.758 9.215 -4.961 1.00 0.66 H new ATOM 936 N LEU A 81 73.649 8.911 -8.505 1.00 0.20 N ATOM 937 CA LEU A 81 73.308 7.623 -9.100 1.00 0.21 C ATOM 938 C LEU A 81 73.120 7.744 -10.607 1.00 0.24 C ATOM 939 O LEU A 81 73.479 6.829 -11.347 1.00 0.27 O ATOM 940 CB LEU A 81 72.026 7.074 -8.468 1.00 0.20 C ATOM 941 CG LEU A 81 72.226 6.887 -6.962 1.00 0.20 C ATOM 942 CD1 LEU A 81 70.900 6.475 -6.320 1.00 0.19 C ATOM 943 CD2 LEU A 81 73.265 5.791 -6.713 1.00 0.24 C ATOM 0 H LEU A 81 73.003 9.232 -7.784 1.00 0.20 H new ATOM 0 HA LEU A 81 74.134 6.938 -8.908 1.00 0.21 H new ATOM 0 HB2 LEU A 81 71.198 7.759 -8.651 1.00 0.20 H new ATOM 0 HB3 LEU A 81 71.761 6.123 -8.929 1.00 0.20 H new ATOM 0 HG LEU A 81 72.572 7.824 -6.526 1.00 0.20 H new ATOM 0 HD11 LEU A 81 71.041 6.341 -5.247 1.00 0.19 H new ATOM 0 HD12 LEU A 81 70.155 7.251 -6.494 1.00 0.19 H new ATOM 0 HD13 LEU A 81 70.558 5.538 -6.760 1.00 0.19 H new ATOM 0 HD21 LEU A 81 73.406 5.660 -5.640 1.00 0.24 H new ATOM 0 HD22 LEU A 81 72.918 4.855 -7.151 1.00 0.24 H new ATOM 0 HD23 LEU A 81 74.212 6.077 -7.171 1.00 0.24 H new ATOM 955 N LEU A 82 72.557 8.862 -11.060 1.00 0.25 N ATOM 956 CA LEU A 82 72.342 9.051 -12.493 1.00 0.29 C ATOM 957 C LEU A 82 73.668 9.181 -13.236 1.00 0.32 C ATOM 958 O LEU A 82 73.868 8.532 -14.263 1.00 0.36 O ATOM 959 CB LEU A 82 71.475 10.287 -12.750 1.00 0.30 C ATOM 960 CG LEU A 82 70.106 10.112 -12.087 1.00 0.29 C ATOM 961 CD1 LEU A 82 69.302 11.404 -12.235 1.00 0.32 C ATOM 962 CD2 LEU A 82 69.348 8.968 -12.765 1.00 0.32 C ATOM 0 H LEU A 82 72.247 9.635 -10.471 1.00 0.25 H new ATOM 0 HA LEU A 82 71.822 8.170 -12.869 1.00 0.29 H new ATOM 0 HB2 LEU A 82 71.968 11.176 -12.356 1.00 0.30 H new ATOM 0 HB3 LEU A 82 71.352 10.439 -13.822 1.00 0.30 H new ATOM 0 HG LEU A 82 70.244 9.882 -11.031 1.00 0.29 H new ATOM 0 HD11 LEU A 82 68.327 11.282 -11.764 1.00 0.32 H new ATOM 0 HD12 LEU A 82 69.837 12.223 -11.754 1.00 0.32 H new ATOM 0 HD13 LEU A 82 69.168 11.630 -13.293 1.00 0.32 H new ATOM 0 HD21 LEU A 82 68.374 8.846 -12.291 1.00 0.32 H new ATOM 0 HD22 LEU A 82 69.211 9.198 -13.822 1.00 0.32 H new ATOM 0 HD23 LEU A 82 69.918 8.044 -12.666 1.00 0.32 H new ATOM 974 N THR A 83 74.592 9.973 -12.698 1.00 0.32 N ATOM 975 CA THR A 83 75.902 10.131 -13.328 1.00 0.36 C ATOM 976 C THR A 83 76.639 8.793 -13.439 1.00 0.37 C ATOM 977 O THR A 83 77.388 8.567 -14.391 1.00 0.41 O ATOM 978 CB THR A 83 76.751 11.113 -12.517 1.00 0.36 C ATOM 979 OG1 THR A 83 76.025 12.321 -12.334 1.00 0.40 O ATOM 980 CG2 THR A 83 78.052 11.409 -13.263 1.00 0.32 C ATOM 0 H THR A 83 74.462 10.509 -11.840 1.00 0.32 H new ATOM 0 HA THR A 83 75.743 10.517 -14.335 1.00 0.36 H new ATOM 0 HB THR A 83 76.985 10.674 -11.547 1.00 0.36 H new ATOM 0 HG1 THR A 83 76.565 12.952 -11.813 1.00 0.40 H new ATOM 0 HG21 THR A 83 78.653 12.108 -12.682 1.00 0.32 H new ATOM 0 HG22 THR A 83 78.609 10.483 -13.405 1.00 0.32 H new ATOM 0 HG23 THR A 83 77.823 11.847 -14.234 1.00 0.32 H new ATOM 988 N LYS A 84 76.426 7.911 -12.468 1.00 0.34 N ATOM 989 CA LYS A 84 77.064 6.593 -12.468 1.00 0.36 C ATOM 990 C LYS A 84 76.354 5.565 -13.359 1.00 0.36 C ATOM 991 O LYS A 84 76.806 4.424 -13.448 1.00 0.37 O ATOM 992 CB LYS A 84 77.167 6.067 -11.036 1.00 0.35 C ATOM 993 CG LYS A 84 78.080 6.992 -10.232 1.00 0.38 C ATOM 994 CD LYS A 84 78.287 6.424 -8.827 1.00 1.08 C ATOM 995 CE LYS A 84 79.099 7.415 -7.991 1.00 1.07 C ATOM 996 NZ LYS A 84 79.808 6.682 -6.905 1.00 2.15 N ATOM 0 H LYS A 84 75.816 8.082 -11.669 1.00 0.34 H new ATOM 0 HA LYS A 84 78.058 6.729 -12.894 1.00 0.36 H new ATOM 0 HB2 LYS A 84 76.178 6.023 -10.579 1.00 0.35 H new ATOM 0 HB3 LYS A 84 77.564 5.052 -11.035 1.00 0.35 H new ATOM 0 HG2 LYS A 84 79.040 7.098 -10.736 1.00 0.38 H new ATOM 0 HG3 LYS A 84 77.641 7.988 -10.170 1.00 0.38 H new ATOM 0 HD2 LYS A 84 77.323 6.236 -8.353 1.00 1.08 H new ATOM 0 HD3 LYS A 84 78.807 5.467 -8.883 1.00 1.08 H new ATOM 0 HE2 LYS A 84 79.818 7.937 -8.622 1.00 1.07 H new ATOM 0 HE3 LYS A 84 78.441 8.172 -7.564 1.00 1.07 H new ATOM 0 HZ1 LYS A 84 79.646 7.164 -5.998 1.00 2.15 H new ATOM 0 HZ2 LYS A 84 79.446 5.709 -6.850 1.00 2.15 H new ATOM 0 HZ3 LYS A 84 80.828 6.661 -7.109 1.00 2.15 H new ATOM 1010 N ASN A 85 75.242 5.942 -13.992 1.00 0.35 N ATOM 1011 CA ASN A 85 74.478 5.018 -14.825 1.00 0.36 C ATOM 1012 C ASN A 85 73.940 3.857 -13.991 1.00 0.33 C ATOM 1013 O ASN A 85 73.953 2.703 -14.419 1.00 0.35 O ATOM 1014 CB ASN A 85 75.345 4.491 -15.975 1.00 0.42 C ATOM 1015 CG ASN A 85 75.928 5.655 -16.768 1.00 0.43 C ATOM 1016 OD1 ASN A 85 75.228 6.629 -17.049 1.00 0.85 O ATOM 1017 ND2 ASN A 85 77.176 5.615 -17.145 1.00 0.94 N ATOM 0 H ASN A 85 74.852 6.883 -13.942 1.00 0.35 H new ATOM 0 HA ASN A 85 73.631 5.559 -15.247 1.00 0.36 H new ATOM 0 HB2 ASN A 85 76.150 3.871 -15.579 1.00 0.42 H new ATOM 0 HB3 ASN A 85 74.747 3.857 -16.630 1.00 0.42 H new ATOM 0 HD21 ASN A 85 77.574 6.391 -17.674 1.00 0.94 H new ATOM 0 HD22 ASN A 85 77.754 4.808 -16.911 1.00 0.94 H new ATOM 1024 N VAL A 86 73.455 4.176 -12.794 1.00 0.30 N ATOM 1025 CA VAL A 86 72.827 3.172 -11.940 1.00 0.26 C ATOM 1026 C VAL A 86 71.315 3.216 -12.141 1.00 0.23 C ATOM 1027 O VAL A 86 70.730 4.298 -12.209 1.00 0.26 O ATOM 1028 CB VAL A 86 73.164 3.441 -10.470 1.00 0.26 C ATOM 1029 CG1 VAL A 86 72.571 2.337 -9.590 1.00 0.24 C ATOM 1030 CG2 VAL A 86 74.684 3.463 -10.283 1.00 0.30 C ATOM 0 H VAL A 86 73.484 5.115 -12.396 1.00 0.30 H new ATOM 0 HA VAL A 86 73.204 2.185 -12.209 1.00 0.26 H new ATOM 0 HB VAL A 86 72.743 4.405 -10.183 1.00 0.26 H new ATOM 0 HG11 VAL A 86 72.814 2.534 -8.546 1.00 0.24 H new ATOM 0 HG12 VAL A 86 71.488 2.316 -9.713 1.00 0.24 H new ATOM 0 HG13 VAL A 86 72.988 1.374 -9.884 1.00 0.24 H new ATOM 0 HG21 VAL A 86 74.919 3.655 -9.236 1.00 0.30 H new ATOM 0 HG22 VAL A 86 75.101 2.500 -10.578 1.00 0.30 H new ATOM 0 HG23 VAL A 86 75.115 4.250 -10.902 1.00 0.30 H new ATOM 1040 N LYS A 87 70.685 2.047 -12.232 1.00 0.21 N ATOM 1041 CA LYS A 87 69.255 1.998 -12.517 1.00 0.23 C ATOM 1042 C LYS A 87 68.467 2.526 -11.325 1.00 0.21 C ATOM 1043 O LYS A 87 68.703 2.119 -10.188 1.00 0.23 O ATOM 1044 CB LYS A 87 68.824 0.566 -12.843 1.00 0.24 C ATOM 1045 CG LYS A 87 67.368 0.568 -13.315 1.00 0.30 C ATOM 1046 CD LYS A 87 66.973 -0.836 -13.775 1.00 0.86 C ATOM 1047 CE LYS A 87 66.930 -1.781 -12.574 1.00 1.03 C ATOM 1048 NZ LYS A 87 66.352 -3.090 -12.991 1.00 1.92 N ATOM 0 H LYS A 87 71.132 1.138 -12.115 1.00 0.21 H new ATOM 0 HA LYS A 87 69.050 2.627 -13.383 1.00 0.23 H new ATOM 0 HB2 LYS A 87 69.468 0.148 -13.617 1.00 0.24 H new ATOM 0 HB3 LYS A 87 68.931 -0.067 -11.962 1.00 0.24 H new ATOM 0 HG2 LYS A 87 66.714 0.894 -12.506 1.00 0.30 H new ATOM 0 HG3 LYS A 87 67.242 1.278 -14.132 1.00 0.30 H new ATOM 0 HD2 LYS A 87 65.999 -0.808 -14.263 1.00 0.86 H new ATOM 0 HD3 LYS A 87 67.688 -1.202 -14.512 1.00 0.86 H new ATOM 0 HE2 LYS A 87 67.934 -1.925 -12.175 1.00 1.03 H new ATOM 0 HE3 LYS A 87 66.330 -1.344 -11.776 1.00 1.03 H new ATOM 0 HZ1 LYS A 87 65.874 -3.533 -12.180 1.00 1.92 H new ATOM 0 HZ2 LYS A 87 65.665 -2.938 -13.757 1.00 1.92 H new ATOM 0 HZ3 LYS A 87 67.113 -3.714 -13.328 1.00 1.92 H new ATOM 1062 N VAL A 88 67.509 3.411 -11.588 1.00 0.22 N ATOM 1063 CA VAL A 88 66.738 4.038 -10.514 1.00 0.20 C ATOM 1064 C VAL A 88 65.245 3.831 -10.745 1.00 0.21 C ATOM 1065 O VAL A 88 64.738 4.044 -11.846 1.00 0.25 O ATOM 1066 CB VAL A 88 67.052 5.539 -10.443 1.00 0.24 C ATOM 1067 CG1 VAL A 88 66.320 6.170 -9.255 1.00 0.24 C ATOM 1068 CG2 VAL A 88 68.558 5.748 -10.263 1.00 0.26 C ATOM 0 H VAL A 88 67.248 3.710 -12.528 1.00 0.22 H new ATOM 0 HA VAL A 88 67.017 3.572 -9.569 1.00 0.20 H new ATOM 0 HB VAL A 88 66.723 6.009 -11.370 1.00 0.24 H new ATOM 0 HG11 VAL A 88 66.548 7.235 -9.211 1.00 0.24 H new ATOM 0 HG12 VAL A 88 65.245 6.033 -9.376 1.00 0.24 H new ATOM 0 HG13 VAL A 88 66.645 5.691 -8.331 1.00 0.24 H new ATOM 0 HG21 VAL A 88 68.774 6.815 -10.213 1.00 0.26 H new ATOM 0 HG22 VAL A 88 68.884 5.269 -9.340 1.00 0.26 H new ATOM 0 HG23 VAL A 88 69.090 5.309 -11.107 1.00 0.26 H new ATOM 1078 N VAL A 89 64.549 3.414 -9.691 1.00 0.19 N ATOM 1079 CA VAL A 89 63.104 3.202 -9.764 1.00 0.22 C ATOM 1080 C VAL A 89 62.405 4.061 -8.717 1.00 0.22 C ATOM 1081 O VAL A 89 62.813 4.074 -7.559 1.00 0.19 O ATOM 1082 CB VAL A 89 62.753 1.732 -9.498 1.00 0.24 C ATOM 1083 CG1 VAL A 89 61.262 1.512 -9.757 1.00 0.21 C ATOM 1084 CG2 VAL A 89 63.567 0.808 -10.409 1.00 0.30 C ATOM 0 H VAL A 89 64.959 3.216 -8.778 1.00 0.19 H new ATOM 0 HA VAL A 89 62.773 3.476 -10.766 1.00 0.22 H new ATOM 0 HB VAL A 89 62.991 1.499 -8.460 1.00 0.24 H new ATOM 0 HG11 VAL A 89 61.010 0.468 -9.569 1.00 0.21 H new ATOM 0 HG12 VAL A 89 60.679 2.151 -9.094 1.00 0.21 H new ATOM 0 HG13 VAL A 89 61.032 1.759 -10.793 1.00 0.21 H new ATOM 0 HG21 VAL A 89 63.303 -0.230 -10.204 1.00 0.30 H new ATOM 0 HG22 VAL A 89 63.348 1.039 -11.451 1.00 0.30 H new ATOM 0 HG23 VAL A 89 64.630 0.956 -10.221 1.00 0.30 H new ATOM 1094 N GLY A 90 61.348 4.763 -9.115 1.00 0.27 N ATOM 1095 CA GLY A 90 60.586 5.575 -8.168 1.00 0.30 C ATOM 1096 C GLY A 90 59.213 4.965 -7.912 1.00 0.50 C ATOM 1097 O GLY A 90 58.478 4.656 -8.850 1.00 0.73 O ATOM 0 H GLY A 90 61.002 4.788 -10.074 1.00 0.27 H new ATOM 0 HA2 GLY A 90 61.134 5.656 -7.229 1.00 0.30 H new ATOM 0 HA3 GLY A 90 60.472 6.586 -8.559 1.00 0.30 H new ATOM 1101 N GLU A 91 58.871 4.792 -6.639 1.00 0.55 N ATOM 1102 CA GLU A 91 57.557 4.273 -6.280 1.00 0.91 C ATOM 1103 C GLU A 91 57.155 4.751 -4.881 1.00 1.23 C ATOM 1104 O GLU A 91 57.389 4.038 -3.904 1.00 1.39 O ATOM 1105 CB GLU A 91 57.566 2.743 -6.327 1.00 1.05 C ATOM 1106 CG GLU A 91 57.383 2.275 -7.772 1.00 1.70 C ATOM 1107 CD GLU A 91 56.924 0.820 -7.795 1.00 2.42 C ATOM 1108 OE1 GLU A 91 55.927 0.525 -7.159 1.00 2.75 O ATOM 1109 OE2 GLU A 91 57.578 0.023 -8.448 1.00 3.17 O ATOM 0 H GLU A 91 59.479 5.001 -5.847 1.00 0.55 H new ATOM 0 HA GLU A 91 56.828 4.648 -6.999 1.00 0.91 H new ATOM 0 HB2 GLU A 91 58.505 2.362 -5.926 1.00 1.05 H new ATOM 0 HB3 GLU A 91 56.768 2.345 -5.701 1.00 1.05 H new ATOM 0 HG2 GLU A 91 56.650 2.904 -8.277 1.00 1.70 H new ATOM 0 HG3 GLU A 91 58.321 2.378 -8.318 1.00 1.70 H new ATOM 1116 N PRO A 92 56.570 5.925 -4.750 1.00 1.61 N ATOM 1117 CA PRO A 92 56.150 6.439 -3.410 1.00 2.06 C ATOM 1118 C PRO A 92 55.206 5.459 -2.703 1.00 2.32 C ATOM 1119 O PRO A 92 54.441 4.766 -3.376 1.00 2.43 O ATOM 1120 CB PRO A 92 55.438 7.762 -3.706 1.00 2.48 C ATOM 1121 CG PRO A 92 55.924 8.186 -5.050 1.00 2.52 C ATOM 1122 CD PRO A 92 56.245 6.902 -5.812 1.00 1.91 C ATOM 0 HA PRO A 92 57.001 6.566 -2.741 1.00 2.06 H new ATOM 0 HB2 PRO A 92 54.356 7.634 -3.703 1.00 2.48 H new ATOM 0 HB3 PRO A 92 55.673 8.511 -2.950 1.00 2.48 H new ATOM 0 HG2 PRO A 92 55.165 8.769 -5.572 1.00 2.52 H new ATOM 0 HG3 PRO A 92 56.808 8.818 -4.963 1.00 2.52 H new ATOM 0 HD2 PRO A 92 55.397 6.572 -6.412 1.00 1.91 H new ATOM 0 HD3 PRO A 92 57.083 7.042 -6.495 1.00 1.91 H new ATOM 1130 N PRO A 93 55.231 5.375 -1.389 1.00 2.69 N ATOM 1131 CA PRO A 93 54.344 4.416 -0.654 1.00 3.14 C ATOM 1132 C PRO A 93 52.876 4.591 -1.028 1.00 3.58 C ATOM 1133 O PRO A 93 52.413 5.710 -1.255 1.00 3.80 O ATOM 1134 CB PRO A 93 54.567 4.758 0.821 1.00 3.64 C ATOM 1135 CG PRO A 93 55.923 5.368 0.867 1.00 3.48 C ATOM 1136 CD PRO A 93 56.061 6.145 -0.439 1.00 3.00 C ATOM 0 HA PRO A 93 54.582 3.380 -0.896 1.00 3.14 H new ATOM 0 HB2 PRO A 93 53.809 5.451 1.186 1.00 3.64 H new ATOM 0 HB3 PRO A 93 54.512 3.867 1.447 1.00 3.64 H new ATOM 0 HG2 PRO A 93 56.029 6.026 1.729 1.00 3.48 H new ATOM 0 HG3 PRO A 93 56.695 4.604 0.953 1.00 3.48 H new ATOM 0 HD2 PRO A 93 55.706 7.170 -0.335 1.00 3.00 H new ATOM 0 HD3 PRO A 93 57.099 6.199 -0.766 1.00 3.00 H new ATOM 1144 N GLU A 94 52.149 3.479 -1.091 1.00 3.96 N ATOM 1145 CA GLU A 94 50.727 3.512 -1.425 1.00 4.59 C ATOM 1146 C GLU A 94 49.897 2.957 -0.273 1.00 5.38 C ATOM 1147 O GLU A 94 50.361 2.102 0.482 1.00 5.70 O ATOM 1148 CB GLU A 94 50.470 2.682 -2.685 1.00 5.02 C ATOM 1149 CG GLU A 94 51.242 3.286 -3.864 1.00 5.18 C ATOM 1150 CD GLU A 94 50.952 2.544 -5.173 1.00 5.24 C ATOM 1151 OE1 GLU A 94 50.339 1.487 -5.139 1.00 5.22 O ATOM 1152 OE2 GLU A 94 51.355 3.053 -6.206 1.00 5.65 O ATOM 0 H GLU A 94 52.520 2.545 -0.916 1.00 3.96 H new ATOM 0 HA GLU A 94 50.436 4.547 -1.604 1.00 4.59 H new ATOM 0 HB2 GLU A 94 50.782 1.650 -2.523 1.00 5.02 H new ATOM 0 HB3 GLU A 94 49.403 2.661 -2.908 1.00 5.02 H new ATOM 0 HG2 GLU A 94 50.974 4.337 -3.974 1.00 5.18 H new ATOM 0 HG3 GLU A 94 52.311 3.250 -3.655 1.00 5.18 H new ATOM 1159 N GLU A 95 48.667 3.448 -0.141 1.00 5.92 N ATOM 1160 CA GLU A 95 47.772 2.991 0.919 1.00 6.87 C ATOM 1161 C GLU A 95 46.417 2.573 0.331 1.00 7.76 C ATOM 1162 O GLU A 95 45.434 3.310 0.445 1.00 7.83 O ATOM 1163 CB GLU A 95 47.585 4.106 1.954 1.00 7.16 C ATOM 1164 CG GLU A 95 48.881 4.292 2.745 1.00 7.33 C ATOM 1165 CD GLU A 95 48.579 4.931 4.096 1.00 7.47 C ATOM 1166 OE1 GLU A 95 48.265 4.197 5.018 1.00 7.52 O ATOM 1167 OE2 GLU A 95 48.667 6.144 4.189 1.00 7.76 O ATOM 0 H GLU A 95 48.268 4.160 -0.753 1.00 5.92 H new ATOM 0 HA GLU A 95 48.215 2.124 1.409 1.00 6.87 H new ATOM 0 HB2 GLU A 95 47.314 5.037 1.456 1.00 7.16 H new ATOM 0 HB3 GLU A 95 46.767 3.856 2.630 1.00 7.16 H new ATOM 0 HG2 GLU A 95 49.370 3.329 2.890 1.00 7.33 H new ATOM 0 HG3 GLU A 95 49.573 4.919 2.183 1.00 7.33 H new ATOM 1174 N PRO A 96 46.336 1.422 -0.307 1.00 8.63 N ATOM 1175 CA PRO A 96 45.042 0.939 -0.888 1.00 9.67 C ATOM 1176 C PRO A 96 43.926 0.813 0.150 1.00 10.08 C ATOM 1177 O PRO A 96 42.745 0.852 -0.197 1.00 10.26 O ATOM 1178 CB PRO A 96 45.388 -0.424 -1.504 1.00 10.57 C ATOM 1179 CG PRO A 96 46.649 -0.846 -0.833 1.00 10.13 C ATOM 1180 CD PRO A 96 47.415 0.446 -0.572 1.00 8.93 C ATOM 0 HA PRO A 96 44.649 1.648 -1.616 1.00 9.67 H new ATOM 0 HB2 PRO A 96 44.590 -1.147 -1.334 1.00 10.57 H new ATOM 0 HB3 PRO A 96 45.523 -0.346 -2.583 1.00 10.57 H new ATOM 0 HG2 PRO A 96 46.442 -1.376 0.097 1.00 10.13 H new ATOM 0 HG3 PRO A 96 47.223 -1.524 -1.465 1.00 10.13 H new ATOM 0 HD2 PRO A 96 48.091 0.350 0.278 1.00 8.93 H new ATOM 0 HD3 PRO A 96 48.021 0.737 -1.430 1.00 8.93 H new ATOM 1188 N LEU A 97 44.295 0.664 1.419 1.00 10.45 N ATOM 1189 CA LEU A 97 43.305 0.521 2.481 1.00 11.04 C ATOM 1190 C LEU A 97 42.367 1.725 2.519 1.00 11.89 C ATOM 1191 O LEU A 97 41.169 1.576 2.757 1.00 12.08 O ATOM 1192 CB LEU A 97 44.011 0.376 3.831 1.00 11.40 C ATOM 1193 CG LEU A 97 42.982 0.074 4.924 1.00 11.56 C ATOM 1194 CD1 LEU A 97 42.443 -1.346 4.739 1.00 11.71 C ATOM 1195 CD2 LEU A 97 43.649 0.190 6.296 1.00 11.77 C ATOM 0 H LEU A 97 45.264 0.639 1.735 1.00 10.45 H new ATOM 0 HA LEU A 97 42.713 -0.371 2.279 1.00 11.04 H new ATOM 0 HB2 LEU A 97 44.749 -0.425 3.782 1.00 11.40 H new ATOM 0 HB3 LEU A 97 44.551 1.292 4.070 1.00 11.40 H new ATOM 0 HG LEU A 97 42.160 0.787 4.856 1.00 11.56 H new ATOM 0 HD11 LEU A 97 41.710 -1.561 5.517 1.00 11.71 H new ATOM 0 HD12 LEU A 97 41.969 -1.431 3.761 1.00 11.71 H new ATOM 0 HD13 LEU A 97 43.265 -2.059 4.807 1.00 11.71 H new ATOM 0 HD21 LEU A 97 42.918 -0.025 7.075 1.00 11.77 H new ATOM 0 HD22 LEU A 97 44.470 -0.523 6.363 1.00 11.77 H new ATOM 0 HD23 LEU A 97 44.035 1.201 6.429 1.00 11.77 H new ATOM 1207 N GLU A 98 42.914 2.915 2.283 1.00 12.53 N ATOM 1208 CA GLU A 98 42.112 4.132 2.343 1.00 13.52 C ATOM 1209 C GLU A 98 40.971 4.079 1.331 1.00 13.93 C ATOM 1210 O GLU A 98 41.180 3.776 0.156 1.00 14.01 O ATOM 1211 CB GLU A 98 42.994 5.350 2.060 1.00 14.19 C ATOM 1212 CG GLU A 98 44.069 5.464 3.148 1.00 14.28 C ATOM 1213 CD GLU A 98 44.933 6.717 2.967 1.00 13.85 C ATOM 1214 OE1 GLU A 98 44.836 7.365 1.934 1.00 13.51 O ATOM 1215 OE2 GLU A 98 45.688 7.014 3.877 1.00 14.00 O ATOM 0 H GLU A 98 43.897 3.061 2.051 1.00 12.53 H new ATOM 0 HA GLU A 98 41.686 4.214 3.343 1.00 13.52 H new ATOM 0 HB2 GLU A 98 43.461 5.255 1.080 1.00 14.19 H new ATOM 0 HB3 GLU A 98 42.387 6.255 2.037 1.00 14.19 H new ATOM 0 HG2 GLU A 98 43.593 5.490 4.128 1.00 14.28 H new ATOM 0 HG3 GLU A 98 44.704 4.578 3.125 1.00 14.28 H new ATOM 1222 N HIS A 99 39.764 4.376 1.802 1.00 14.35 N ATOM 1223 CA HIS A 99 38.594 4.403 0.930 1.00 14.94 C ATOM 1224 C HIS A 99 38.673 5.549 -0.079 1.00 15.25 C ATOM 1225 O HIS A 99 38.227 5.412 -1.218 1.00 15.32 O ATOM 1226 CB HIS A 99 37.325 4.553 1.770 1.00 15.27 C ATOM 1227 CG HIS A 99 37.074 3.386 2.685 1.00 15.50 C ATOM 1228 ND1 HIS A 99 37.541 3.355 3.990 1.00 15.48 N ATOM 1229 CD2 HIS A 99 36.405 2.200 2.500 1.00 15.95 C ATOM 1230 CE1 HIS A 99 37.152 2.187 4.533 1.00 15.90 C ATOM 1231 NE2 HIS A 99 36.456 1.446 3.668 1.00 16.20 N ATOM 0 H HIS A 99 39.570 4.600 2.778 1.00 14.35 H new ATOM 0 HA HIS A 99 38.567 3.463 0.378 1.00 14.94 H new ATOM 0 HB2 HIS A 99 37.398 5.463 2.365 1.00 15.27 H new ATOM 0 HB3 HIS A 99 36.470 4.674 1.105 1.00 15.27 H new ATOM 0 HD2 HIS A 99 35.914 1.899 1.586 1.00 15.95 H new ATOM 0 HE1 HIS A 99 37.376 1.886 5.546 1.00 15.90 H new ATOM 0 HE2 HIS A 99 36.049 0.525 3.829 1.00 16.20 H new ATOM 1239 N HIS A 100 39.242 6.676 0.342 1.00 15.60 N ATOM 1240 CA HIS A 100 39.306 7.854 -0.516 1.00 16.10 C ATOM 1241 C HIS A 100 40.024 7.532 -1.823 1.00 16.21 C ATOM 1242 O HIS A 100 40.983 6.759 -1.844 1.00 16.29 O ATOM 1243 CB HIS A 100 40.039 8.984 0.206 1.00 16.57 C ATOM 1244 CG HIS A 100 39.331 9.462 1.445 1.00 16.76 C ATOM 1245 ND1 HIS A 100 39.596 8.934 2.698 1.00 17.19 N ATOM 1246 CD2 HIS A 100 38.364 10.419 1.638 1.00 16.75 C ATOM 1247 CE1 HIS A 100 38.806 9.567 3.582 1.00 17.42 C ATOM 1248 NE2 HIS A 100 38.034 10.482 2.989 1.00 17.17 N ATOM 0 H HIS A 100 39.662 6.797 1.264 1.00 15.60 H new ATOM 0 HA HIS A 100 38.288 8.168 -0.745 1.00 16.10 H new ATOM 0 HB2 HIS A 100 41.039 8.644 0.476 1.00 16.57 H new ATOM 0 HB3 HIS A 100 40.162 9.823 -0.479 1.00 16.57 H new ATOM 0 HD2 HIS A 100 37.927 11.029 0.861 1.00 16.75 H new ATOM 0 HE1 HIS A 100 38.796 9.361 4.642 1.00 17.42 H new ATOM 0 HE2 HIS A 100 37.349 11.095 3.431 1.00 17.17 H new ATOM 1256 N HIS A 101 39.552 8.131 -2.911 1.00 16.36 N ATOM 1257 CA HIS A 101 40.153 7.908 -4.225 1.00 16.65 C ATOM 1258 C HIS A 101 41.242 8.936 -4.556 1.00 16.91 C ATOM 1259 O HIS A 101 42.100 8.677 -5.401 1.00 17.14 O ATOM 1260 CB HIS A 101 39.068 7.959 -5.301 1.00 16.80 C ATOM 1261 CG HIS A 101 38.043 6.866 -5.168 1.00 17.13 C ATOM 1262 ND1 HIS A 101 36.875 7.034 -4.442 1.00 17.44 N ATOM 1263 CD2 HIS A 101 37.996 5.585 -5.662 1.00 17.35 C ATOM 1264 CE1 HIS A 101 36.181 5.884 -4.518 1.00 17.82 C ATOM 1265 NE2 HIS A 101 36.818 4.968 -5.250 1.00 17.79 N ATOM 0 H HIS A 101 38.759 8.772 -2.912 1.00 16.36 H new ATOM 0 HA HIS A 101 40.624 6.925 -4.201 1.00 16.65 H new ATOM 0 HB2 HIS A 101 38.566 8.925 -5.255 1.00 16.80 H new ATOM 0 HB3 HIS A 101 39.537 7.890 -6.283 1.00 16.80 H new ATOM 0 HD2 HIS A 101 38.757 5.127 -6.276 1.00 17.35 H new ATOM 0 HE1 HIS A 101 35.224 5.722 -4.044 1.00 17.82 H new ATOM 0 HE2 HIS A 101 36.508 4.020 -5.462 1.00 17.79 H new ATOM 1273 N HIS A 102 41.214 10.097 -3.901 1.00 17.03 N ATOM 1274 CA HIS A 102 42.179 11.152 -4.191 1.00 17.46 C ATOM 1275 C HIS A 102 43.610 10.641 -4.051 1.00 17.73 C ATOM 1276 O HIS A 102 44.487 11.010 -4.832 1.00 18.10 O ATOM 1277 CB HIS A 102 41.963 12.330 -3.240 1.00 17.62 C ATOM 1278 CG HIS A 102 42.846 13.511 -3.538 1.00 17.77 C ATOM 1279 ND1 HIS A 102 42.718 14.255 -4.700 1.00 17.75 N ATOM 1280 CD2 HIS A 102 43.875 14.090 -2.835 1.00 18.09 C ATOM 1281 CE1 HIS A 102 43.644 15.228 -4.663 1.00 18.05 C ATOM 1282 NE2 HIS A 102 44.377 15.175 -3.548 1.00 18.27 N ATOM 0 H HIS A 102 40.539 10.328 -3.172 1.00 17.03 H new ATOM 0 HA HIS A 102 42.027 11.477 -5.220 1.00 17.46 H new ATOM 0 HB2 HIS A 102 40.920 12.643 -3.293 1.00 17.62 H new ATOM 0 HB3 HIS A 102 42.145 11.999 -2.217 1.00 17.62 H new ATOM 0 HD2 HIS A 102 44.239 13.754 -1.875 1.00 18.09 H new ATOM 0 HE1 HIS A 102 43.779 15.964 -5.441 1.00 18.05 H new ATOM 0 HE2 HIS A 102 45.140 15.796 -3.277 1.00 18.27 H new ATOM 1290 N HIS A 103 43.844 9.793 -3.054 1.00 17.69 N ATOM 1291 CA HIS A 103 45.174 9.238 -2.834 1.00 18.12 C ATOM 1292 C HIS A 103 45.632 8.444 -4.054 1.00 18.52 C ATOM 1293 O HIS A 103 44.820 7.827 -4.744 1.00 18.82 O ATOM 1294 CB HIS A 103 45.167 8.332 -1.604 1.00 18.07 C ATOM 1295 CG HIS A 103 44.925 9.073 -0.317 1.00 18.13 C ATOM 1296 ND1 HIS A 103 43.653 9.267 0.196 1.00 18.35 N ATOM 1297 CD2 HIS A 103 45.783 9.673 0.572 1.00 18.15 C ATOM 1298 CE1 HIS A 103 43.779 9.957 1.343 1.00 18.49 C ATOM 1299 NE2 HIS A 103 45.056 10.232 1.620 1.00 18.38 N ATOM 0 H HIS A 103 43.136 9.478 -2.391 1.00 17.69 H new ATOM 0 HA HIS A 103 45.868 10.062 -2.671 1.00 18.12 H new ATOM 0 HB2 HIS A 103 44.396 7.571 -1.727 1.00 18.07 H new ATOM 0 HB3 HIS A 103 46.122 7.811 -1.540 1.00 18.07 H new ATOM 0 HD2 HIS A 103 46.858 9.706 0.473 1.00 18.15 H new ATOM 0 HE1 HIS A 103 42.948 10.253 1.965 1.00 18.49 H new ATOM 0 HE2 HIS A 103 45.420 10.741 2.425 1.00 18.38 H new ATOM 1307 N HIS A 104 46.935 8.466 -4.315 1.00 18.68 N ATOM 1308 CA HIS A 104 47.488 7.744 -5.455 1.00 19.22 C ATOM 1309 C HIS A 104 47.487 6.242 -5.191 1.00 19.40 C ATOM 1310 O HIS A 104 47.518 5.864 -4.031 1.00 19.63 O ATOM 1311 CB HIS A 104 48.917 8.215 -5.728 1.00 19.83 C ATOM 1312 CG HIS A 104 49.002 9.661 -6.139 1.00 20.24 C ATOM 1313 ND1 HIS A 104 49.193 10.680 -5.219 1.00 20.20 N ATOM 1314 CD2 HIS A 104 48.924 10.272 -7.366 1.00 20.83 C ATOM 1315 CE1 HIS A 104 49.225 11.839 -5.900 1.00 20.75 C ATOM 1316 NE2 HIS A 104 49.066 11.649 -7.212 1.00 21.15 N ATOM 1317 OXT HIS A 104 47.456 5.492 -6.153 1.00 19.42 O ATOM 0 H HIS A 104 47.623 8.972 -3.757 1.00 18.68 H new ATOM 0 HA HIS A 104 46.866 7.948 -6.326 1.00 19.22 H new ATOM 0 HB2 HIS A 104 49.519 8.064 -4.832 1.00 19.83 H new ATOM 0 HB3 HIS A 104 49.352 7.596 -6.513 1.00 19.83 H new ATOM 0 HD2 HIS A 104 48.775 9.763 -8.307 1.00 20.83 H new ATOM 0 HE1 HIS A 104 49.363 12.807 -5.441 1.00 20.75 H new ATOM 0 HE2 HIS A 104 49.052 12.359 -7.944 1.00 21.15 H new TER 1325 HIS A 104