USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1136 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: B 21 GLN : amide:sc= 0.118 K(o=0.092,f=-0.63) USER MOD Set 1.2: B 35 TYR OH : rot 180:sc= -0.0259 USER MOD Set 2.1: A 51 TYR OH : rot -165:sc= 0.812 USER MOD Set 2.2: A 55 GLN :FLIP amide:sc= -0.131 F(o=-0.96!,f=0.68) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0247 (180deg=-0.263) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.019 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.32) USER MOD Single : A 6 MET CE :methyl -161:sc= -0.211 (180deg=-0.85) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0313 F(o=-1.3!,f=-0.031) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0707 F(o=-1!,f=-0.071) USER MOD Single : A 12 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -119:sc= 1.49 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.32 K(o=0.32,f=-4.5!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 35 TYR OH : rot 180:sc=-0.000819 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0.128 (180deg=0.0466) USER MOD Single : A 62 ASN : amide:sc= 0.519 K(o=0.52,f=-0.22) USER MOD Single : A 64 GLN :FLIP amide:sc=-0.00652 F(o=-1.1,f=-0.0065) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 68 HIS : no HD1:sc= 0.654 K(o=0.65,f=-2.9!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 72 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.8) USER MOD Single : B 1 MET CE :methyl -140:sc= -0.138 (180deg=-0.699) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 MET CE :methyl -162:sc= -0.182 (180deg=-0.745) USER MOD Single : B 9 ASN :FLIP amide:sc= -0.131 F(o=-1.6!,f=-0.13) USER MOD Single : B 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.31) USER MOD Single : B 14 LYS NZ :NH3+ -169:sc= 0.932 (180deg=0.29) USER MOD Single : B 16 THR OG1 : rot 85:sc= 1.07 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -68:sc= 1.05 USER MOD Single : B 47 ASN : amide:sc= -0.0664 X(o=-0.066,f=-0.14) USER MOD Single : B 51 TYR OH : rot 67:sc= 1.25 USER MOD Single : B 55 GLN : amide:sc= -0.673 X(o=-0.67,f=-0.27) USER MOD Single : B 61 LYS NZ :NH3+ -139:sc= 0.116 (180deg=0) USER MOD Single : B 62 ASN : amide:sc= 0.873 K(o=0.87,f=-4.8!) USER MOD Single : B 64 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : B 67 HIS :FLIP no HD1:sc= 0 F(o=-0.75,f=0) USER MOD Single : B 68 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.25) USER MOD Single : B 69 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : B 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 50.291 13.144 -6.886 1.00 0.00 N ATOM 2 CA MET A 1 50.925 11.875 -6.464 1.00 0.00 C ATOM 3 C MET A 1 52.072 12.162 -5.503 1.00 0.00 C ATOM 4 O MET A 1 52.827 13.112 -5.700 1.00 0.00 O ATOM 5 CB MET A 1 51.460 11.108 -7.682 1.00 0.00 C ATOM 6 CG MET A 1 52.177 9.812 -7.322 1.00 0.00 C ATOM 7 SD MET A 1 52.971 9.024 -8.737 1.00 0.00 S ATOM 8 CE MET A 1 51.548 8.641 -9.760 1.00 0.00 C ATOM 0 H1 MET A 1 50.025 13.082 -7.890 1.00 0.00 H new ATOM 0 H2 MET A 1 49.440 13.315 -6.313 1.00 0.00 H new ATOM 0 H3 MET A 1 50.961 13.928 -6.753 1.00 0.00 H new ATOM 0 HA MET A 1 50.173 11.265 -5.964 1.00 0.00 H new ATOM 0 HB2 MET A 1 50.630 10.880 -8.350 1.00 0.00 H new ATOM 0 HB3 MET A 1 52.146 11.751 -8.233 1.00 0.00 H new ATOM 0 HG2 MET A 1 52.929 10.019 -6.560 1.00 0.00 H new ATOM 0 HG3 MET A 1 51.461 9.118 -6.882 1.00 0.00 H new ATOM 0 HE1 MET A 1 51.844 7.954 -10.552 1.00 0.00 H new ATOM 0 HE2 MET A 1 50.774 8.178 -9.148 1.00 0.00 H new ATOM 0 HE3 MET A 1 51.160 9.559 -10.202 1.00 0.00 H new ATOM 20 N VAL A 2 52.187 11.357 -4.457 1.00 0.00 N ATOM 21 CA VAL A 2 53.292 11.482 -3.518 1.00 0.00 C ATOM 22 C VAL A 2 53.991 10.141 -3.345 1.00 0.00 C ATOM 23 O VAL A 2 53.444 9.095 -3.707 1.00 0.00 O ATOM 24 CB VAL A 2 52.828 11.999 -2.136 1.00 0.00 C ATOM 25 CG1 VAL A 2 52.279 13.416 -2.242 1.00 0.00 C ATOM 26 CG2 VAL A 2 51.790 11.066 -1.529 1.00 0.00 C ATOM 0 H VAL A 2 51.528 10.610 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 2 53.985 12.212 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 2 53.696 12.019 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 2 51.959 13.757 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 2 53.056 14.080 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 2 51.428 13.427 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 2 51.479 11.450 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 2 50.925 11.005 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 2 52.222 10.073 -1.405 1.00 0.00 H new ATOM 36 N GLU A 3 55.197 10.171 -2.805 1.00 0.00 N ATOM 37 CA GLU A 3 55.942 8.952 -2.548 1.00 0.00 C ATOM 38 C GLU A 3 55.561 8.401 -1.186 1.00 0.00 C ATOM 39 O GLU A 3 56.017 8.902 -0.155 1.00 0.00 O ATOM 40 CB GLU A 3 57.445 9.220 -2.603 1.00 0.00 C ATOM 41 CG GLU A 3 57.925 9.727 -3.950 1.00 0.00 C ATOM 42 CD GLU A 3 59.401 10.041 -3.952 1.00 0.00 C ATOM 43 OE1 GLU A 3 60.211 9.101 -4.054 1.00 0.00 O ATOM 44 OE2 GLU A 3 59.760 11.230 -3.847 1.00 0.00 O ATOM 0 H GLU A 3 55.681 11.027 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 3 55.695 8.219 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 3 57.703 9.951 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 3 57.978 8.301 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 3 57.714 8.978 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 3 57.365 10.623 -4.219 1.00 0.00 H new ATOM 51 N ASN A 4 54.704 7.393 -1.173 1.00 0.00 N ATOM 52 CA ASN A 4 54.208 6.853 0.080 1.00 0.00 C ATOM 53 C ASN A 4 54.595 5.388 0.233 1.00 0.00 C ATOM 54 O ASN A 4 54.320 4.560 -0.633 1.00 0.00 O ATOM 55 CB ASN A 4 52.683 7.026 0.196 1.00 0.00 C ATOM 56 CG ASN A 4 51.886 6.087 -0.698 1.00 0.00 C ATOM 57 OD1 ASN A 4 51.527 4.980 -0.289 1.00 0.00 O ATOM 58 ND2 ASN A 4 51.590 6.523 -1.913 1.00 0.00 N ATOM 0 H ASN A 4 54.340 6.936 -2.009 1.00 0.00 H new ATOM 0 HA ASN A 4 54.673 7.415 0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 4 52.387 6.864 1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 4 52.424 8.055 -0.052 1.00 0.00 H new ATOM 0 HD21 ASN A 4 51.047 5.937 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 4 51.905 7.445 -2.215 1.00 0.00 H new ATOM 65 N PRO A 5 55.296 5.067 1.322 1.00 0.00 N ATOM 66 CA PRO A 5 55.555 3.696 1.720 1.00 0.00 C ATOM 67 C PRO A 5 54.531 3.230 2.749 1.00 0.00 C ATOM 68 O PRO A 5 54.690 2.189 3.391 1.00 0.00 O ATOM 69 CB PRO A 5 56.940 3.802 2.350 1.00 0.00 C ATOM 70 CG PRO A 5 56.979 5.172 2.958 1.00 0.00 C ATOM 71 CD PRO A 5 55.954 6.017 2.232 1.00 0.00 C ATOM 0 HA PRO A 5 55.497 2.981 0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 5 57.092 3.030 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 5 57.725 3.678 1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 5 56.754 5.126 4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 5 57.974 5.607 2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 5 55.242 6.465 2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 5 56.424 6.834 1.685 1.00 0.00 H new ATOM 79 N MET A 6 53.466 4.014 2.886 1.00 0.00 N ATOM 80 CA MET A 6 52.484 3.801 3.934 1.00 0.00 C ATOM 81 C MET A 6 51.381 2.857 3.486 1.00 0.00 C ATOM 82 O MET A 6 50.276 3.284 3.147 1.00 0.00 O ATOM 83 CB MET A 6 51.878 5.129 4.395 1.00 0.00 C ATOM 84 CG MET A 6 52.875 6.067 5.053 1.00 0.00 C ATOM 85 SD MET A 6 52.125 7.611 5.600 1.00 0.00 S ATOM 86 CE MET A 6 51.510 8.255 4.043 1.00 0.00 C ATOM 0 H MET A 6 53.264 4.807 2.277 1.00 0.00 H new ATOM 0 HA MET A 6 53.006 3.340 4.773 1.00 0.00 H new ATOM 0 HB2 MET A 6 51.434 5.632 3.536 1.00 0.00 H new ATOM 0 HB3 MET A 6 51.070 4.924 5.097 1.00 0.00 H new ATOM 0 HG2 MET A 6 53.329 5.566 5.908 1.00 0.00 H new ATOM 0 HG3 MET A 6 53.678 6.288 4.350 1.00 0.00 H new ATOM 0 HE1 MET A 6 51.327 9.325 4.139 1.00 0.00 H new ATOM 0 HE2 MET A 6 52.248 8.081 3.260 1.00 0.00 H new ATOM 0 HE3 MET A 6 50.580 7.750 3.782 1.00 0.00 H new ATOM 96 N VAL A 7 51.700 1.574 3.464 1.00 0.00 N ATOM 97 CA VAL A 7 50.692 0.540 3.290 1.00 0.00 C ATOM 98 C VAL A 7 50.122 0.201 4.666 1.00 0.00 C ATOM 99 O VAL A 7 49.188 -0.588 4.817 1.00 0.00 O ATOM 100 CB VAL A 7 51.289 -0.720 2.616 1.00 0.00 C ATOM 101 CG1 VAL A 7 52.279 -1.422 3.536 1.00 0.00 C ATOM 102 CG2 VAL A 7 50.191 -1.673 2.162 1.00 0.00 C ATOM 0 H VAL A 7 52.652 1.222 3.565 1.00 0.00 H new ATOM 0 HA VAL A 7 49.901 0.904 2.634 1.00 0.00 H new ATOM 0 HB VAL A 7 51.834 -0.394 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 7 52.681 -2.302 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 7 53.094 -0.741 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 7 51.772 -1.726 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 7 50.640 -2.548 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.601 -1.986 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 7 49.545 -1.168 1.444 1.00 0.00 H new ATOM 112 N ILE A 8 50.710 0.846 5.665 1.00 0.00 N ATOM 113 CA ILE A 8 50.335 0.671 7.054 1.00 0.00 C ATOM 114 C ILE A 8 49.278 1.697 7.442 1.00 0.00 C ATOM 115 O ILE A 8 49.497 2.902 7.288 1.00 0.00 O ATOM 116 CB ILE A 8 51.566 0.852 7.962 1.00 0.00 C ATOM 117 CG1 ILE A 8 52.725 -0.015 7.459 1.00 0.00 C ATOM 118 CG2 ILE A 8 51.223 0.513 9.409 1.00 0.00 C ATOM 119 CD1 ILE A 8 54.065 0.367 8.045 1.00 0.00 C ATOM 0 H ILE A 8 51.470 1.513 5.527 1.00 0.00 H new ATOM 0 HA ILE A 8 49.934 -0.335 7.180 1.00 0.00 H new ATOM 0 HB ILE A 8 51.875 1.897 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 8 52.518 -1.058 7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 8 52.778 0.059 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 8 52.106 0.647 10.033 1.00 0.00 H new ATOM 0 HG22 ILE A 8 50.428 1.172 9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 8 50.889 -0.523 9.471 1.00 0.00 H new ATOM 0 HD11 ILE A 8 54.838 -0.289 7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 8 54.295 1.400 7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 8 54.030 0.266 9.130 1.00 0.00 H new ATOM 131 N ASN A 9 48.141 1.210 7.932 1.00 0.00 N ATOM 132 CA ASN A 9 47.039 2.073 8.362 1.00 0.00 C ATOM 133 C ASN A 9 46.532 2.929 7.208 1.00 0.00 C ATOM 134 O ASN A 9 46.869 4.108 7.093 1.00 0.00 O ATOM 135 CB ASN A 9 47.462 2.970 9.534 1.00 0.00 C ATOM 136 CG ASN A 9 47.705 2.198 10.818 1.00 0.00 C ATOM 137 OD1 ASN A 9 46.927 1.153 11.043 1.00 0.00 O flip ATOM 138 ND2 ASN A 9 48.577 2.553 11.613 1.00 0.00 N flip ATOM 0 H ASN A 9 47.956 0.213 8.043 1.00 0.00 H new ATOM 0 HA ASN A 9 46.229 1.425 8.697 1.00 0.00 H new ATOM 0 HB2 ASN A 9 48.371 3.507 9.263 1.00 0.00 H new ATOM 0 HB3 ASN A 9 46.689 3.719 9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 9 49.158 3.365 11.404 1.00 0.00 H new ATOM 0 HD22 ASN A 9 48.718 2.035 12.480 1.00 0.00 H new ATOM 145 N ASN A 10 45.748 2.325 6.336 1.00 0.00 N ATOM 146 CA ASN A 10 45.184 3.047 5.206 1.00 0.00 C ATOM 147 C ASN A 10 43.800 3.577 5.551 1.00 0.00 C ATOM 148 O ASN A 10 43.016 2.891 6.209 1.00 0.00 O ATOM 149 CB ASN A 10 45.121 2.159 3.957 1.00 0.00 C ATOM 150 CG ASN A 10 46.488 1.882 3.348 1.00 0.00 C ATOM 151 OD1 ASN A 10 47.420 2.816 3.505 1.00 0.00 O flip ATOM 152 ND2 ASN A 10 46.704 0.837 2.737 1.00 0.00 N flip ATOM 0 H ASN A 10 45.486 1.340 6.385 1.00 0.00 H new ATOM 0 HA ASN A 10 45.838 3.891 4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 10 44.647 1.212 4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 10 44.488 2.638 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 10 45.964 0.143 2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 10 47.623 0.665 2.331 1.00 0.00 H new ATOM 159 N TRP A 11 43.524 4.810 5.113 1.00 0.00 N ATOM 160 CA TRP A 11 42.253 5.492 5.378 1.00 0.00 C ATOM 161 C TRP A 11 42.097 5.849 6.856 1.00 0.00 C ATOM 162 O TRP A 11 42.841 5.371 7.711 1.00 0.00 O ATOM 163 CB TRP A 11 41.051 4.653 4.922 1.00 0.00 C ATOM 164 CG TRP A 11 40.923 4.533 3.435 1.00 0.00 C ATOM 165 CD1 TRP A 11 40.497 5.500 2.570 1.00 0.00 C ATOM 166 CD2 TRP A 11 41.202 3.376 2.639 1.00 0.00 C ATOM 167 NE1 TRP A 11 40.504 5.016 1.285 1.00 0.00 N ATOM 168 CE2 TRP A 11 40.929 3.715 1.302 1.00 0.00 C ATOM 169 CE3 TRP A 11 41.655 2.084 2.927 1.00 0.00 C ATOM 170 CZ2 TRP A 11 41.100 2.813 0.255 1.00 0.00 C ATOM 171 CZ3 TRP A 11 41.824 1.188 1.887 1.00 0.00 C ATOM 172 CH2 TRP A 11 41.546 1.556 0.566 1.00 0.00 C ATOM 0 H TRP A 11 44.179 5.365 4.562 1.00 0.00 H new ATOM 0 HA TRP A 11 42.275 6.415 4.798 1.00 0.00 H new ATOM 0 HB2 TRP A 11 41.134 3.655 5.351 1.00 0.00 H new ATOM 0 HB3 TRP A 11 40.139 5.097 5.321 1.00 0.00 H new ATOM 0 HD1 TRP A 11 40.199 6.498 2.855 1.00 0.00 H new ATOM 0 HE1 TRP A 11 40.236 5.541 0.453 1.00 0.00 H new ATOM 0 HE3 TRP A 11 41.869 1.791 3.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 40.888 3.095 -0.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 42.176 0.189 2.098 1.00 0.00 H new ATOM 0 HH2 TRP A 11 41.686 0.834 -0.225 1.00 0.00 H new ATOM 183 N HIS A 12 41.142 6.733 7.135 1.00 0.00 N ATOM 184 CA HIS A 12 40.788 7.100 8.506 1.00 0.00 C ATOM 185 C HIS A 12 39.437 7.812 8.545 1.00 0.00 C ATOM 186 O HIS A 12 38.519 7.379 9.237 1.00 0.00 O ATOM 187 CB HIS A 12 41.870 7.962 9.206 1.00 0.00 C ATOM 188 CG HIS A 12 42.812 8.722 8.307 1.00 0.00 C ATOM 189 ND1 HIS A 12 42.493 9.913 7.689 1.00 0.00 N ATOM 190 CD2 HIS A 12 44.095 8.456 7.952 1.00 0.00 C ATOM 191 CE1 HIS A 12 43.533 10.342 6.999 1.00 0.00 C ATOM 192 NE2 HIS A 12 44.515 9.478 7.141 1.00 0.00 N ATOM 0 H HIS A 12 40.594 7.214 6.422 1.00 0.00 H new ATOM 0 HA HIS A 12 40.721 6.166 9.064 1.00 0.00 H new ATOM 0 HB2 HIS A 12 41.367 8.678 9.856 1.00 0.00 H new ATOM 0 HB3 HIS A 12 42.463 7.310 9.848 1.00 0.00 H new ATOM 0 HD1 HIS A 12 41.593 10.388 7.755 1.00 0.00 H new ATOM 0 HD2 HIS A 12 44.677 7.598 8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 12 43.572 11.250 6.416 1.00 0.00 H new ATOM 201 N ASP A 13 39.305 8.889 7.784 1.00 0.00 N ATOM 202 CA ASP A 13 38.073 9.681 7.791 1.00 0.00 C ATOM 203 C ASP A 13 37.401 9.666 6.425 1.00 0.00 C ATOM 204 O ASP A 13 36.467 10.423 6.176 1.00 0.00 O ATOM 205 CB ASP A 13 38.369 11.125 8.204 1.00 0.00 C ATOM 206 CG ASP A 13 39.310 11.823 7.246 1.00 0.00 C ATOM 207 OD1 ASP A 13 40.447 11.339 7.077 1.00 0.00 O ATOM 208 OD2 ASP A 13 38.928 12.856 6.662 1.00 0.00 O ATOM 0 H ASP A 13 40.029 9.237 7.155 1.00 0.00 H new ATOM 0 HA ASP A 13 37.394 9.231 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 13 37.434 11.682 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 13 38.804 11.131 9.204 1.00 0.00 H new ATOM 213 N LYS A 14 37.861 8.784 5.552 1.00 0.00 N ATOM 214 CA LYS A 14 37.337 8.715 4.193 1.00 0.00 C ATOM 215 C LYS A 14 36.588 7.409 3.961 1.00 0.00 C ATOM 216 O LYS A 14 36.434 6.968 2.822 1.00 0.00 O ATOM 217 CB LYS A 14 38.472 8.840 3.175 1.00 0.00 C ATOM 218 CG LYS A 14 39.185 10.181 3.207 1.00 0.00 C ATOM 219 CD LYS A 14 40.175 10.311 2.062 1.00 0.00 C ATOM 220 CE LYS A 14 39.478 10.201 0.711 1.00 0.00 C ATOM 221 NZ LYS A 14 40.416 10.413 -0.420 1.00 0.00 N ATOM 0 H LYS A 14 38.595 8.106 5.758 1.00 0.00 H new ATOM 0 HA LYS A 14 36.642 9.545 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 14 39.199 8.049 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 14 38.069 8.678 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 14 38.452 10.986 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 14 39.708 10.294 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 14 40.690 11.269 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 14 40.935 9.534 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 14 39.018 9.217 0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 14 38.674 10.935 0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 39.900 10.329 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 40.837 11.361 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 41.169 9.697 -0.385 1.00 0.00 H new ATOM 235 N LEU A 15 36.107 6.803 5.035 1.00 0.00 N ATOM 236 CA LEU A 15 35.446 5.513 4.939 1.00 0.00 C ATOM 237 C LEU A 15 34.190 5.492 5.801 1.00 0.00 C ATOM 238 O LEU A 15 34.233 5.828 6.985 1.00 0.00 O ATOM 239 CB LEU A 15 36.421 4.399 5.356 1.00 0.00 C ATOM 240 CG LEU A 15 35.972 2.958 5.066 1.00 0.00 C ATOM 241 CD1 LEU A 15 37.185 2.049 4.935 1.00 0.00 C ATOM 242 CD2 LEU A 15 35.059 2.434 6.167 1.00 0.00 C ATOM 0 H LEU A 15 36.162 7.183 5.980 1.00 0.00 H new ATOM 0 HA LEU A 15 35.143 5.341 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 15 37.372 4.569 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 15 36.608 4.490 6.426 1.00 0.00 H new ATOM 0 HG LEU A 15 35.416 2.962 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 15 36.856 1.030 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 15 37.815 2.399 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.754 2.066 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.758 1.413 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.591 2.448 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.174 3.066 6.237 1.00 0.00 H new ATOM 254 N THR A 16 33.077 5.115 5.187 1.00 0.00 N ATOM 255 CA THR A 16 31.818 4.950 5.894 1.00 0.00 C ATOM 256 C THR A 16 31.222 3.590 5.544 1.00 0.00 C ATOM 257 O THR A 16 31.866 2.786 4.865 1.00 0.00 O ATOM 258 CB THR A 16 30.813 6.078 5.558 1.00 0.00 C ATOM 259 OG1 THR A 16 29.643 5.970 6.378 1.00 0.00 O ATOM 260 CG2 THR A 16 30.414 6.051 4.087 1.00 0.00 C ATOM 0 H THR A 16 33.023 4.916 4.188 1.00 0.00 H new ATOM 0 HA THR A 16 32.017 5.006 6.964 1.00 0.00 H new ATOM 0 HB THR A 16 31.309 7.027 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 16 28.856 5.841 5.809 1.00 0.00 H new ATOM 0 HG21 THR A 16 29.708 6.857 3.887 1.00 0.00 H new ATOM 0 HG22 THR A 16 31.301 6.183 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 16 29.948 5.094 3.854 1.00 0.00 H new ATOM 268 N GLU A 17 30.004 3.337 5.981 1.00 0.00 N ATOM 269 CA GLU A 17 29.403 2.024 5.801 1.00 0.00 C ATOM 270 C GLU A 17 27.890 2.100 5.602 1.00 0.00 C ATOM 271 O GLU A 17 27.204 2.894 6.247 1.00 0.00 O ATOM 272 CB GLU A 17 29.726 1.130 7.003 1.00 0.00 C ATOM 273 CG GLU A 17 29.312 1.726 8.340 1.00 0.00 C ATOM 274 CD GLU A 17 29.594 0.803 9.506 1.00 0.00 C ATOM 275 OE1 GLU A 17 28.717 -0.024 9.839 1.00 0.00 O ATOM 276 OE2 GLU A 17 30.684 0.907 10.105 1.00 0.00 O ATOM 0 H GLU A 17 29.412 4.016 6.460 1.00 0.00 H new ATOM 0 HA GLU A 17 29.830 1.594 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.227 0.169 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 17 30.798 0.933 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.840 2.668 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.247 1.958 8.315 1.00 0.00 H new ATOM 283 N THR A 18 27.390 1.278 4.677 1.00 0.00 N ATOM 284 CA THR A 18 25.952 1.049 4.501 1.00 0.00 C ATOM 285 C THR A 18 25.230 2.206 3.789 1.00 0.00 C ATOM 286 O THR A 18 24.370 1.972 2.937 1.00 0.00 O ATOM 287 CB THR A 18 25.272 0.760 5.856 1.00 0.00 C ATOM 288 OG1 THR A 18 25.948 -0.323 6.517 1.00 0.00 O ATOM 289 CG2 THR A 18 23.802 0.404 5.674 1.00 0.00 C ATOM 0 H THR A 18 27.972 0.750 4.026 1.00 0.00 H new ATOM 0 HA THR A 18 25.867 0.176 3.853 1.00 0.00 H new ATOM 0 HB THR A 18 25.333 1.663 6.463 1.00 0.00 H new ATOM 0 HG1 THR A 18 25.515 -0.502 7.377 1.00 0.00 H new ATOM 0 HG21 THR A 18 23.352 0.206 6.647 1.00 0.00 H new ATOM 0 HG22 THR A 18 23.283 1.235 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 18 23.718 -0.484 5.048 1.00 0.00 H new ATOM 297 N ASP A 19 25.590 3.444 4.108 1.00 0.00 N ATOM 298 CA ASP A 19 24.902 4.612 3.549 1.00 0.00 C ATOM 299 C ASP A 19 25.393 4.927 2.138 1.00 0.00 C ATOM 300 O ASP A 19 25.116 5.995 1.595 1.00 0.00 O ATOM 301 CB ASP A 19 25.089 5.834 4.455 1.00 0.00 C ATOM 302 CG ASP A 19 26.535 6.284 4.552 1.00 0.00 C ATOM 303 OD1 ASP A 19 27.304 5.653 5.303 1.00 0.00 O ATOM 304 OD2 ASP A 19 26.904 7.278 3.894 1.00 0.00 O ATOM 0 H ASP A 19 26.351 3.669 4.748 1.00 0.00 H new ATOM 0 HA ASP A 19 23.840 4.371 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 19 24.483 6.657 4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 19 24.719 5.599 5.453 1.00 0.00 H new ATOM 309 N VAL A 20 26.095 3.978 1.541 1.00 0.00 N ATOM 310 CA VAL A 20 26.627 4.143 0.199 1.00 0.00 C ATOM 311 C VAL A 20 25.517 3.979 -0.838 1.00 0.00 C ATOM 312 O VAL A 20 25.073 2.863 -1.115 1.00 0.00 O ATOM 313 CB VAL A 20 27.742 3.114 -0.082 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.480 3.451 -1.369 1.00 0.00 C ATOM 315 CG2 VAL A 20 28.704 3.031 1.097 1.00 0.00 C ATOM 0 H VAL A 20 26.311 3.078 1.969 1.00 0.00 H new ATOM 0 HA VAL A 20 27.045 5.147 0.128 1.00 0.00 H new ATOM 0 HB VAL A 20 27.280 2.135 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 20 29.261 2.711 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.779 3.444 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 20 28.930 4.440 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.483 2.300 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.159 4.007 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.159 2.726 1.990 1.00 0.00 H new ATOM 325 N GLN A 21 25.062 5.090 -1.393 1.00 0.00 N ATOM 326 CA GLN A 21 23.989 5.072 -2.376 1.00 0.00 C ATOM 327 C GLN A 21 24.517 5.329 -3.782 1.00 0.00 C ATOM 328 O GLN A 21 25.543 5.984 -3.969 1.00 0.00 O ATOM 329 CB GLN A 21 22.886 6.095 -2.039 1.00 0.00 C ATOM 330 CG GLN A 21 23.257 7.167 -1.013 1.00 0.00 C ATOM 331 CD GLN A 21 24.437 8.033 -1.412 1.00 0.00 C ATOM 332 OE1 GLN A 21 25.581 7.735 -1.079 1.00 0.00 O ATOM 333 NE2 GLN A 21 24.165 9.120 -2.112 1.00 0.00 N ATOM 0 H GLN A 21 25.420 6.021 -1.179 1.00 0.00 H new ATOM 0 HA GLN A 21 23.553 4.073 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.585 6.592 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.016 5.553 -1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 21 22.391 7.808 -0.846 1.00 0.00 H new ATOM 0 HG3 GLN A 21 23.482 6.682 -0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 21 23.201 9.333 -2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 21 24.919 9.746 -2.395 1.00 0.00 H new ATOM 342 N ILE A 22 23.814 4.793 -4.770 1.00 0.00 N ATOM 343 CA ILE A 22 24.151 5.025 -6.163 1.00 0.00 C ATOM 344 C ILE A 22 22.989 5.718 -6.870 1.00 0.00 C ATOM 345 O ILE A 22 21.827 5.522 -6.506 1.00 0.00 O ATOM 346 CB ILE A 22 24.493 3.709 -6.901 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.648 2.988 -6.211 1.00 0.00 C ATOM 348 CG2 ILE A 22 24.859 3.991 -8.348 1.00 0.00 C ATOM 349 CD1 ILE A 22 26.060 1.714 -6.913 1.00 0.00 C ATOM 0 H ILE A 22 23.003 4.191 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 22 25.035 5.662 -6.185 1.00 0.00 H new ATOM 0 HB ILE A 22 23.611 3.069 -6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.506 3.659 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.361 2.754 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.097 3.054 -8.852 1.00 0.00 H new ATOM 0 HG22 ILE A 22 24.018 4.470 -8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.725 4.651 -8.382 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.885 1.251 -6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.215 1.026 -6.944 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.377 1.945 -7.930 1.00 0.00 H new ATOM 361 N ASP A 23 23.310 6.529 -7.868 1.00 0.00 N ATOM 362 CA ASP A 23 22.321 7.297 -8.593 1.00 0.00 C ATOM 363 C ASP A 23 21.690 6.453 -9.710 1.00 0.00 C ATOM 364 O ASP A 23 21.802 5.226 -9.714 1.00 0.00 O ATOM 365 CB ASP A 23 22.981 8.537 -9.184 1.00 0.00 C ATOM 366 CG ASP A 23 23.823 8.223 -10.400 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.760 7.401 -10.291 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.517 8.779 -11.474 1.00 0.00 O ATOM 0 H ASP A 23 24.266 6.670 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 23 21.530 7.596 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.211 9.259 -9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.606 9.008 -8.425 1.00 0.00 H new ATOM 373 N PHE A 24 21.040 7.123 -10.654 1.00 0.00 N ATOM 374 CA PHE A 24 20.357 6.462 -11.755 1.00 0.00 C ATOM 375 C PHE A 24 21.355 5.965 -12.800 1.00 0.00 C ATOM 376 O PHE A 24 21.076 5.018 -13.539 1.00 0.00 O ATOM 377 CB PHE A 24 19.353 7.434 -12.392 1.00 0.00 C ATOM 378 CG PHE A 24 18.490 6.822 -13.459 1.00 0.00 C ATOM 379 CD1 PHE A 24 17.471 5.946 -13.127 1.00 0.00 C ATOM 380 CD2 PHE A 24 18.692 7.135 -14.795 1.00 0.00 C ATOM 381 CE1 PHE A 24 16.668 5.391 -14.105 1.00 0.00 C ATOM 382 CE2 PHE A 24 17.894 6.581 -15.777 1.00 0.00 C ATOM 383 CZ PHE A 24 16.880 5.708 -15.432 1.00 0.00 C ATOM 0 H PHE A 24 20.973 8.141 -10.676 1.00 0.00 H new ATOM 0 HA PHE A 24 19.823 5.595 -11.366 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.711 7.839 -11.610 1.00 0.00 H new ATOM 0 HB3 PHE A 24 19.900 8.273 -12.821 1.00 0.00 H new ATOM 0 HD1 PHE A 24 17.301 5.693 -12.091 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.481 7.819 -15.070 1.00 0.00 H new ATOM 0 HE1 PHE A 24 15.875 4.710 -13.832 1.00 0.00 H new ATOM 0 HE2 PHE A 24 18.063 6.830 -16.814 1.00 0.00 H new ATOM 0 HZ PHE A 24 16.255 5.275 -16.199 1.00 0.00 H new ATOM 393 N TYR A 25 22.520 6.600 -12.858 1.00 0.00 N ATOM 394 CA TYR A 25 23.547 6.217 -13.812 1.00 0.00 C ATOM 395 C TYR A 25 24.124 4.851 -13.442 1.00 0.00 C ATOM 396 O TYR A 25 24.510 4.071 -14.315 1.00 0.00 O ATOM 397 CB TYR A 25 24.657 7.271 -13.860 1.00 0.00 C ATOM 398 CG TYR A 25 25.549 7.155 -15.071 1.00 0.00 C ATOM 399 CD1 TYR A 25 25.153 7.684 -16.291 1.00 0.00 C ATOM 400 CD2 TYR A 25 26.777 6.513 -14.997 1.00 0.00 C ATOM 401 CE1 TYR A 25 25.958 7.579 -17.408 1.00 0.00 C ATOM 402 CE2 TYR A 25 27.588 6.401 -16.109 1.00 0.00 C ATOM 403 CZ TYR A 25 27.175 6.936 -17.313 1.00 0.00 C ATOM 404 OH TYR A 25 27.980 6.820 -18.424 1.00 0.00 O ATOM 0 H TYR A 25 22.774 7.382 -12.255 1.00 0.00 H new ATOM 0 HA TYR A 25 23.095 6.151 -14.802 1.00 0.00 H new ATOM 0 HB2 TYR A 25 24.205 8.263 -13.846 1.00 0.00 H new ATOM 0 HB3 TYR A 25 25.267 7.185 -12.961 1.00 0.00 H new ATOM 0 HD1 TYR A 25 24.200 8.186 -16.368 1.00 0.00 H new ATOM 0 HD2 TYR A 25 27.103 6.095 -14.056 1.00 0.00 H new ATOM 0 HE1 TYR A 25 25.637 7.998 -18.350 1.00 0.00 H new ATOM 0 HE2 TYR A 25 28.541 5.897 -16.037 1.00 0.00 H new ATOM 0 HH TYR A 25 28.801 6.341 -18.185 1.00 0.00 H new ATOM 414 N GLY A 26 24.182 4.568 -12.144 1.00 0.00 N ATOM 415 CA GLY A 26 24.600 3.258 -11.695 1.00 0.00 C ATOM 416 C GLY A 26 26.097 3.146 -11.531 1.00 0.00 C ATOM 417 O GLY A 26 26.676 2.090 -11.780 1.00 0.00 O ATOM 0 H GLY A 26 23.947 5.223 -11.399 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.117 3.034 -10.744 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.260 2.508 -12.410 1.00 0.00 H new ATOM 421 N ASP A 27 26.733 4.233 -11.128 1.00 0.00 N ATOM 422 CA ASP A 27 28.154 4.191 -10.823 1.00 0.00 C ATOM 423 C ASP A 27 28.361 4.180 -9.316 1.00 0.00 C ATOM 424 O ASP A 27 28.556 3.123 -8.719 1.00 0.00 O ATOM 425 CB ASP A 27 28.896 5.372 -11.451 1.00 0.00 C ATOM 426 CG ASP A 27 30.390 5.299 -11.196 1.00 0.00 C ATOM 427 OD1 ASP A 27 31.058 4.440 -11.809 1.00 0.00 O ATOM 428 OD2 ASP A 27 30.905 6.095 -10.387 1.00 0.00 O ATOM 0 H ASP A 27 26.295 5.146 -11.005 1.00 0.00 H new ATOM 0 HA ASP A 27 28.565 3.276 -11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 27 28.711 5.388 -12.525 1.00 0.00 H new ATOM 0 HB3 ASP A 27 28.503 6.305 -11.046 1.00 0.00 H new ATOM 433 N GLU A 28 28.284 5.357 -8.709 1.00 0.00 N ATOM 434 CA GLU A 28 28.428 5.507 -7.267 1.00 0.00 C ATOM 435 C GLU A 28 28.306 6.978 -6.899 1.00 0.00 C ATOM 436 O GLU A 28 28.849 7.838 -7.596 1.00 0.00 O ATOM 437 CB GLU A 28 29.786 4.980 -6.796 1.00 0.00 C ATOM 438 CG GLU A 28 29.965 5.027 -5.290 1.00 0.00 C ATOM 439 CD GLU A 28 31.418 4.891 -4.881 1.00 0.00 C ATOM 440 OE1 GLU A 28 32.228 5.769 -5.255 1.00 0.00 O ATOM 441 OE2 GLU A 28 31.766 3.898 -4.210 1.00 0.00 O ATOM 0 H GLU A 28 28.120 6.235 -9.202 1.00 0.00 H new ATOM 0 HA GLU A 28 27.642 4.930 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.905 3.951 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.577 5.565 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.568 5.968 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.384 4.227 -4.832 1.00 0.00 H new ATOM 448 N VAL A 29 27.593 7.274 -5.823 1.00 0.00 N ATOM 449 CA VAL A 29 27.486 8.645 -5.355 1.00 0.00 C ATOM 450 C VAL A 29 28.024 8.751 -3.941 1.00 0.00 C ATOM 451 O VAL A 29 27.489 8.145 -3.020 1.00 0.00 O ATOM 452 CB VAL A 29 26.037 9.164 -5.364 1.00 0.00 C ATOM 453 CG1 VAL A 29 26.013 10.685 -5.316 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.278 8.652 -6.572 1.00 0.00 C ATOM 0 H VAL A 29 27.085 6.590 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 29 28.070 9.256 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 29 25.538 8.783 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.980 11.033 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 29 26.505 11.028 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.537 11.085 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 29 24.258 9.036 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.773 8.989 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 29 25.256 7.562 -6.553 1.00 0.00 H new ATOM 464 N THR A 30 29.090 9.500 -3.776 1.00 0.00 N ATOM 465 CA THR A 30 29.653 9.724 -2.464 1.00 0.00 C ATOM 466 C THR A 30 29.307 11.130 -1.982 1.00 0.00 C ATOM 467 O THR A 30 28.921 11.980 -2.786 1.00 0.00 O ATOM 468 CB THR A 30 31.179 9.526 -2.490 1.00 0.00 C ATOM 469 OG1 THR A 30 31.724 10.140 -3.662 1.00 0.00 O ATOM 470 CG2 THR A 30 31.533 8.046 -2.468 1.00 0.00 C ATOM 0 H THR A 30 29.586 9.966 -4.536 1.00 0.00 H new ATOM 0 HA THR A 30 29.226 8.999 -1.771 1.00 0.00 H new ATOM 0 HB THR A 30 31.605 9.993 -1.602 1.00 0.00 H new ATOM 0 HG1 THR A 30 32.696 10.014 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.617 7.931 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.135 7.590 -1.561 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.101 7.555 -3.340 1.00 0.00 H new ATOM 478 N PRO A 31 29.427 11.396 -0.668 1.00 0.00 N ATOM 479 CA PRO A 31 29.102 12.711 -0.087 1.00 0.00 C ATOM 480 C PRO A 31 29.993 13.839 -0.614 1.00 0.00 C ATOM 481 O PRO A 31 29.823 14.996 -0.242 1.00 0.00 O ATOM 482 CB PRO A 31 29.330 12.510 1.416 1.00 0.00 C ATOM 483 CG PRO A 31 30.225 11.325 1.515 1.00 0.00 C ATOM 484 CD PRO A 31 29.856 10.437 0.363 1.00 0.00 C ATOM 0 HA PRO A 31 28.088 13.016 -0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.789 13.390 1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.389 12.338 1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.273 11.621 1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.088 10.810 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.702 9.836 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.057 9.744 0.627 1.00 0.00 H new ATOM 492 N VAL A 32 30.942 13.500 -1.477 1.00 0.00 N ATOM 493 CA VAL A 32 31.821 14.499 -2.065 1.00 0.00 C ATOM 494 C VAL A 32 31.363 14.874 -3.473 1.00 0.00 C ATOM 495 O VAL A 32 31.955 15.746 -4.114 1.00 0.00 O ATOM 496 CB VAL A 32 33.291 14.025 -2.108 1.00 0.00 C ATOM 497 CG1 VAL A 32 33.819 13.794 -0.700 1.00 0.00 C ATOM 498 CG2 VAL A 32 33.433 12.768 -2.951 1.00 0.00 C ATOM 0 H VAL A 32 31.121 12.544 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 32 31.765 15.379 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 32 33.888 14.810 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.856 13.461 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.764 14.724 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 32 33.216 13.032 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.477 12.455 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 32 32.822 11.973 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 32 33.102 12.973 -3.969 1.00 0.00 H new ATOM 508 N ASP A 33 30.308 14.217 -3.955 1.00 0.00 N ATOM 509 CA ASP A 33 29.757 14.532 -5.269 1.00 0.00 C ATOM 510 C ASP A 33 28.384 15.178 -5.119 1.00 0.00 C ATOM 511 O ASP A 33 27.966 15.506 -4.008 1.00 0.00 O ATOM 512 CB ASP A 33 29.675 13.289 -6.159 1.00 0.00 C ATOM 513 CG ASP A 33 29.840 13.636 -7.632 1.00 0.00 C ATOM 514 OD1 ASP A 33 28.873 14.122 -8.257 1.00 0.00 O ATOM 515 OD2 ASP A 33 30.952 13.443 -8.171 1.00 0.00 O ATOM 0 H ASP A 33 29.823 13.470 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 33 30.430 15.237 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 33 30.448 12.579 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.715 12.796 -6.007 1.00 0.00 H new ATOM 520 N ASP A 34 27.683 15.350 -6.228 1.00 0.00 N ATOM 521 CA ASP A 34 26.443 16.113 -6.239 1.00 0.00 C ATOM 522 C ASP A 34 25.317 15.296 -6.858 1.00 0.00 C ATOM 523 O ASP A 34 25.499 14.680 -7.911 1.00 0.00 O ATOM 524 CB ASP A 34 26.648 17.384 -7.053 1.00 0.00 C ATOM 525 CG ASP A 34 25.870 18.564 -6.524 1.00 0.00 C ATOM 526 OD1 ASP A 34 24.789 18.364 -5.941 1.00 0.00 O ATOM 527 OD2 ASP A 34 26.341 19.705 -6.709 1.00 0.00 O ATOM 0 H ASP A 34 27.952 14.971 -7.136 1.00 0.00 H new ATOM 0 HA ASP A 34 26.172 16.362 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.709 17.633 -7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 34 26.354 17.197 -8.086 1.00 0.00 H new ATOM 532 N TYR A 35 24.149 15.301 -6.230 1.00 0.00 N ATOM 533 CA TYR A 35 23.026 14.531 -6.741 1.00 0.00 C ATOM 534 C TYR A 35 21.697 15.096 -6.257 1.00 0.00 C ATOM 535 O TYR A 35 21.642 15.837 -5.277 1.00 0.00 O ATOM 536 CB TYR A 35 23.144 13.058 -6.327 1.00 0.00 C ATOM 537 CG TYR A 35 22.860 12.798 -4.860 1.00 0.00 C ATOM 538 CD1 TYR A 35 23.863 12.892 -3.905 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.585 12.447 -4.435 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.604 12.641 -2.572 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.316 12.199 -3.107 1.00 0.00 C ATOM 542 CZ TYR A 35 22.329 12.295 -2.178 1.00 0.00 C ATOM 543 OH TYR A 35 22.067 12.042 -0.852 1.00 0.00 O ATOM 0 H TYR A 35 23.956 15.824 -5.376 1.00 0.00 H new ATOM 0 HA TYR A 35 23.053 14.600 -7.828 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.454 12.467 -6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.150 12.707 -6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 35 24.862 13.166 -4.209 1.00 0.00 H new ATOM 0 HD2 TYR A 35 20.789 12.367 -5.160 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.396 12.715 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.317 11.931 -2.796 1.00 0.00 H new ATOM 0 HH TYR A 35 21.120 11.813 -0.743 1.00 0.00 H new ATOM 553 N VAL A 36 20.632 14.730 -6.956 1.00 0.00 N ATOM 554 CA VAL A 36 19.279 15.111 -6.582 1.00 0.00 C ATOM 555 C VAL A 36 18.365 13.901 -6.751 1.00 0.00 C ATOM 556 O VAL A 36 18.576 13.090 -7.653 1.00 0.00 O ATOM 557 CB VAL A 36 18.765 16.295 -7.443 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.326 16.655 -7.102 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.662 17.511 -7.275 1.00 0.00 C ATOM 0 H VAL A 36 20.683 14.159 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 36 19.279 15.440 -5.543 1.00 0.00 H new ATOM 0 HB VAL A 36 18.793 15.975 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.002 17.488 -7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.683 15.794 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.261 16.941 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.284 18.330 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 36 19.671 17.815 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.676 17.262 -7.589 1.00 0.00 H new ATOM 569 N ILE A 37 17.378 13.757 -5.881 1.00 0.00 N ATOM 570 CA ILE A 37 16.507 12.591 -5.920 1.00 0.00 C ATOM 571 C ILE A 37 15.132 12.941 -6.486 1.00 0.00 C ATOM 572 O ILE A 37 14.452 13.842 -5.987 1.00 0.00 O ATOM 573 CB ILE A 37 16.339 11.962 -4.523 1.00 0.00 C ATOM 574 CG1 ILE A 37 17.697 11.804 -3.835 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.653 10.614 -4.641 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.610 11.190 -2.453 1.00 0.00 C ATOM 0 H ILE A 37 17.160 14.427 -5.144 1.00 0.00 H new ATOM 0 HA ILE A 37 16.987 11.865 -6.577 1.00 0.00 H new ATOM 0 HB ILE A 37 15.722 12.624 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.341 11.184 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.172 12.782 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.538 10.176 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.671 10.744 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.256 9.952 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.610 11.109 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 37 16.993 11.821 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 37 17.164 10.198 -2.523 1.00 0.00 H new ATOM 588 N ASP A 38 14.733 12.219 -7.528 1.00 0.00 N ATOM 589 CA ASP A 38 13.433 12.415 -8.163 1.00 0.00 C ATOM 590 C ASP A 38 12.428 11.406 -7.625 1.00 0.00 C ATOM 591 O ASP A 38 12.312 10.289 -8.129 1.00 0.00 O ATOM 592 CB ASP A 38 13.553 12.290 -9.690 1.00 0.00 C ATOM 593 CG ASP A 38 12.214 12.334 -10.422 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.705 13.440 -10.687 1.00 0.00 O ATOM 595 OD2 ASP A 38 11.679 11.255 -10.757 1.00 0.00 O ATOM 0 H ASP A 38 15.298 11.485 -7.955 1.00 0.00 H new ATOM 0 HA ASP A 38 13.080 13.419 -7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.186 13.096 -10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.056 11.353 -9.929 1.00 0.00 H new ATOM 600 N GLY A 39 11.774 11.775 -6.536 1.00 0.00 N ATOM 601 CA GLY A 39 10.691 10.966 -5.995 1.00 0.00 C ATOM 602 C GLY A 39 11.171 9.790 -5.163 1.00 0.00 C ATOM 603 O GLY A 39 10.434 9.282 -4.320 1.00 0.00 O ATOM 0 H GLY A 39 11.972 12.626 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.048 11.597 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.080 10.594 -6.818 1.00 0.00 H new ATOM 607 N GLY A 40 12.405 9.369 -5.387 1.00 0.00 N ATOM 608 CA GLY A 40 12.943 8.217 -4.695 1.00 0.00 C ATOM 609 C GLY A 40 14.136 7.661 -5.433 1.00 0.00 C ATOM 610 O GLY A 40 15.069 7.128 -4.829 1.00 0.00 O ATOM 0 H GLY A 40 13.050 9.810 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.234 8.498 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.175 7.449 -4.605 1.00 0.00 H new ATOM 614 N GLU A 41 14.108 7.801 -6.749 1.00 0.00 N ATOM 615 CA GLU A 41 15.239 7.433 -7.580 1.00 0.00 C ATOM 616 C GLU A 41 16.268 8.556 -7.571 1.00 0.00 C ATOM 617 O GLU A 41 15.953 9.703 -7.884 1.00 0.00 O ATOM 618 CB GLU A 41 14.790 7.124 -9.015 1.00 0.00 C ATOM 619 CG GLU A 41 14.310 5.691 -9.222 1.00 0.00 C ATOM 620 CD GLU A 41 13.147 5.305 -8.327 1.00 0.00 C ATOM 621 OE1 GLU A 41 11.982 5.533 -8.721 1.00 0.00 O ATOM 622 OE2 GLU A 41 13.392 4.766 -7.227 1.00 0.00 O ATOM 0 H GLU A 41 13.309 8.169 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 41 15.693 6.530 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.987 7.808 -9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.620 7.320 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.015 5.562 -10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.140 5.009 -9.040 1.00 0.00 H new ATOM 629 N ILE A 42 17.485 8.219 -7.185 1.00 0.00 N ATOM 630 CA ILE A 42 18.569 9.189 -7.095 1.00 0.00 C ATOM 631 C ILE A 42 19.192 9.398 -8.468 1.00 0.00 C ATOM 632 O ILE A 42 19.281 8.456 -9.243 1.00 0.00 O ATOM 633 CB ILE A 42 19.654 8.692 -6.113 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.049 8.463 -4.725 1.00 0.00 C ATOM 635 CG2 ILE A 42 20.817 9.672 -6.041 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.031 7.903 -3.719 1.00 0.00 C ATOM 0 H ILE A 42 17.753 7.270 -6.925 1.00 0.00 H new ATOM 0 HA ILE A 42 18.161 10.132 -6.731 1.00 0.00 H new ATOM 0 HB ILE A 42 20.042 7.743 -6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.656 9.408 -4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.205 7.780 -4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.566 9.298 -5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.264 9.779 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.455 10.642 -5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.532 7.767 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.406 6.942 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 42 20.864 8.596 -3.599 1.00 0.00 H new ATOM 648 N ILE A 43 19.588 10.626 -8.788 1.00 0.00 N ATOM 649 CA ILE A 43 20.309 10.885 -10.031 1.00 0.00 C ATOM 650 C ILE A 43 21.475 11.828 -9.775 1.00 0.00 C ATOM 651 O ILE A 43 21.321 12.847 -9.092 1.00 0.00 O ATOM 652 CB ILE A 43 19.424 11.508 -11.143 1.00 0.00 C ATOM 653 CG1 ILE A 43 18.015 10.907 -11.163 1.00 0.00 C ATOM 654 CG2 ILE A 43 20.083 11.314 -12.501 1.00 0.00 C ATOM 655 CD1 ILE A 43 17.048 11.595 -10.222 1.00 0.00 C ATOM 0 H ILE A 43 19.424 11.451 -8.211 1.00 0.00 H new ATOM 0 HA ILE A 43 20.652 9.911 -10.381 1.00 0.00 H new ATOM 0 HB ILE A 43 19.327 12.572 -10.925 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.621 10.960 -12.178 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.076 9.851 -10.900 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.456 11.754 -13.276 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.059 11.800 -12.505 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.207 10.249 -12.696 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.071 11.116 -10.290 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.419 11.519 -9.200 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.957 12.646 -10.498 1.00 0.00 H new ATOM 667 N LEU A 44 22.642 11.473 -10.301 1.00 0.00 N ATOM 668 CA LEU A 44 23.812 12.331 -10.221 1.00 0.00 C ATOM 669 C LEU A 44 23.517 13.660 -10.914 1.00 0.00 C ATOM 670 O LEU A 44 22.820 13.689 -11.925 1.00 0.00 O ATOM 671 CB LEU A 44 25.000 11.637 -10.890 1.00 0.00 C ATOM 672 CG LEU A 44 26.379 12.188 -10.531 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.689 11.921 -9.066 1.00 0.00 C ATOM 674 CD2 LEU A 44 27.443 11.569 -11.423 1.00 0.00 C ATOM 0 H LEU A 44 22.800 10.592 -10.789 1.00 0.00 H new ATOM 0 HA LEU A 44 24.057 12.523 -9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.973 10.579 -10.629 1.00 0.00 H new ATOM 0 HB3 LEU A 44 24.873 11.702 -11.971 1.00 0.00 H new ATOM 0 HG LEU A 44 26.378 13.266 -10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 44 27.675 12.319 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 44 25.939 12.406 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 44 26.676 10.847 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 44 28.420 11.971 -11.156 1.00 0.00 H new ATOM 0 HD22 LEU A 44 27.446 10.487 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 44 27.226 11.804 -12.465 1.00 0.00 H new ATOM 686 N ARG A 45 24.044 14.756 -10.372 1.00 0.00 N ATOM 687 CA ARG A 45 23.778 16.095 -10.915 1.00 0.00 C ATOM 688 C ARG A 45 24.192 16.220 -12.376 1.00 0.00 C ATOM 689 O ARG A 45 23.718 17.106 -13.085 1.00 0.00 O ATOM 690 CB ARG A 45 24.497 17.165 -10.093 1.00 0.00 C ATOM 691 CG ARG A 45 23.742 17.577 -8.842 1.00 0.00 C ATOM 692 CD ARG A 45 23.050 18.923 -9.009 1.00 0.00 C ATOM 693 NE ARG A 45 22.207 18.984 -10.202 1.00 0.00 N ATOM 694 CZ ARG A 45 22.347 19.901 -11.164 1.00 0.00 C ATOM 695 NH1 ARG A 45 23.332 20.788 -11.103 1.00 0.00 N ATOM 696 NH2 ARG A 45 21.505 19.924 -12.191 1.00 0.00 N ATOM 0 H ARG A 45 24.658 14.748 -9.558 1.00 0.00 H new ATOM 0 HA ARG A 45 22.700 16.246 -10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.481 16.793 -9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.658 18.044 -10.717 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.000 16.816 -8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.434 17.627 -8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.440 19.124 -8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.803 19.709 -9.062 1.00 0.00 H new ATOM 0 HE ARG A 45 21.470 18.287 -10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.985 20.771 -10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 45 23.436 21.486 -11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.750 19.241 -12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.614 20.625 -12.924 1.00 0.00 H new ATOM 710 N GLU A 46 25.059 15.326 -12.824 1.00 0.00 N ATOM 711 CA GLU A 46 25.573 15.385 -14.183 1.00 0.00 C ATOM 712 C GLU A 46 24.524 14.895 -15.180 1.00 0.00 C ATOM 713 O GLU A 46 24.429 15.401 -16.298 1.00 0.00 O ATOM 714 CB GLU A 46 26.852 14.554 -14.303 1.00 0.00 C ATOM 715 CG GLU A 46 27.904 14.898 -13.257 1.00 0.00 C ATOM 716 CD GLU A 46 28.185 16.384 -13.173 1.00 0.00 C ATOM 717 OE1 GLU A 46 28.727 16.949 -14.146 1.00 0.00 O ATOM 718 OE2 GLU A 46 27.865 16.994 -12.132 1.00 0.00 O ATOM 0 H GLU A 46 25.421 14.552 -12.267 1.00 0.00 H new ATOM 0 HA GLU A 46 25.807 16.424 -14.417 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.598 13.497 -14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.278 14.699 -15.296 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.571 14.540 -12.283 1.00 0.00 H new ATOM 0 HG3 GLU A 46 28.829 14.371 -13.491 1.00 0.00 H new ATOM 725 N ASN A 47 23.721 13.926 -14.757 1.00 0.00 N ATOM 726 CA ASN A 47 22.706 13.334 -15.626 1.00 0.00 C ATOM 727 C ASN A 47 21.307 13.699 -15.152 1.00 0.00 C ATOM 728 O ASN A 47 20.309 13.304 -15.759 1.00 0.00 O ATOM 729 CB ASN A 47 22.858 11.811 -15.656 1.00 0.00 C ATOM 730 CG ASN A 47 24.198 11.366 -16.210 1.00 0.00 C ATOM 731 OD1 ASN A 47 25.178 11.248 -15.475 1.00 0.00 O ATOM 732 ND2 ASN A 47 24.250 11.108 -17.508 1.00 0.00 N ATOM 0 H ASN A 47 23.752 13.532 -13.817 1.00 0.00 H new ATOM 0 HA ASN A 47 22.848 13.731 -16.631 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.739 11.418 -14.646 1.00 0.00 H new ATOM 0 HB3 ASN A 47 22.059 11.382 -16.261 1.00 0.00 H new ATOM 0 HD21 ASN A 47 25.125 10.799 -17.932 1.00 0.00 H new ATOM 0 HD22 ASN A 47 23.415 11.218 -18.084 1.00 0.00 H new ATOM 739 N LEU A 48 21.249 14.467 -14.072 1.00 0.00 N ATOM 740 CA LEU A 48 19.989 14.838 -13.439 1.00 0.00 C ATOM 741 C LEU A 48 19.041 15.519 -14.414 1.00 0.00 C ATOM 742 O LEU A 48 17.919 15.064 -14.618 1.00 0.00 O ATOM 743 CB LEU A 48 20.241 15.774 -12.258 1.00 0.00 C ATOM 744 CG LEU A 48 18.975 16.315 -11.594 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.282 15.224 -10.795 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.300 17.505 -10.715 1.00 0.00 C ATOM 0 H LEU A 48 22.073 14.851 -13.610 1.00 0.00 H new ATOM 0 HA LEU A 48 19.524 13.915 -13.093 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.830 15.243 -11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.844 16.615 -12.600 1.00 0.00 H new ATOM 0 HG LEU A 48 18.292 16.648 -12.376 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.383 15.629 -10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.009 14.404 -11.459 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.956 14.855 -10.022 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.386 17.875 -10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.004 17.203 -9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.745 18.294 -11.321 1.00 0.00 H new ATOM 758 N GLU A 49 19.506 16.597 -15.030 1.00 0.00 N ATOM 759 CA GLU A 49 18.648 17.428 -15.858 1.00 0.00 C ATOM 760 C GLU A 49 18.229 16.696 -17.126 1.00 0.00 C ATOM 761 O GLU A 49 17.205 17.021 -17.729 1.00 0.00 O ATOM 762 CB GLU A 49 19.354 18.734 -16.202 1.00 0.00 C ATOM 763 CG GLU A 49 19.695 19.571 -14.979 1.00 0.00 C ATOM 764 CD GLU A 49 20.473 20.826 -15.318 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.628 21.131 -16.517 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.933 21.513 -14.382 1.00 0.00 O ATOM 0 H GLU A 49 20.473 16.915 -14.971 1.00 0.00 H new ATOM 0 HA GLU A 49 17.745 17.655 -15.291 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.270 18.511 -16.749 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.719 19.318 -16.868 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.773 19.849 -14.467 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.277 18.967 -14.283 1.00 0.00 H new ATOM 773 N ARG A 50 19.018 15.711 -17.531 1.00 0.00 N ATOM 774 CA ARG A 50 18.651 14.877 -18.661 1.00 0.00 C ATOM 775 C ARG A 50 17.537 13.922 -18.248 1.00 0.00 C ATOM 776 O ARG A 50 16.571 13.735 -18.982 1.00 0.00 O ATOM 777 CB ARG A 50 19.856 14.096 -19.189 1.00 0.00 C ATOM 778 CG ARG A 50 20.051 14.239 -20.692 1.00 0.00 C ATOM 779 CD ARG A 50 18.826 13.778 -21.465 1.00 0.00 C ATOM 780 NE ARG A 50 18.925 14.102 -22.886 1.00 0.00 N ATOM 781 CZ ARG A 50 18.035 13.729 -23.804 1.00 0.00 C ATOM 782 NH1 ARG A 50 16.960 13.028 -23.457 1.00 0.00 N ATOM 783 NH2 ARG A 50 18.216 14.075 -25.071 1.00 0.00 N ATOM 0 H ARG A 50 19.909 15.473 -17.096 1.00 0.00 H new ATOM 0 HA ARG A 50 18.297 15.520 -19.467 1.00 0.00 H new ATOM 0 HB2 ARG A 50 20.756 14.439 -18.678 1.00 0.00 H new ATOM 0 HB3 ARG A 50 19.733 13.041 -18.944 1.00 0.00 H new ATOM 0 HG2 ARG A 50 20.263 15.280 -20.934 1.00 0.00 H new ATOM 0 HG3 ARG A 50 20.918 13.657 -21.003 1.00 0.00 H new ATOM 0 HD2 ARG A 50 18.705 12.701 -21.346 1.00 0.00 H new ATOM 0 HD3 ARG A 50 17.935 14.247 -21.047 1.00 0.00 H new ATOM 0 HE ARG A 50 19.728 14.650 -23.195 1.00 0.00 H new ATOM 0 HH11 ARG A 50 16.812 12.772 -22.481 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.284 12.747 -24.167 1.00 0.00 H new ATOM 0 HH21 ARG A 50 19.033 14.624 -25.338 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.538 13.792 -25.779 1.00 0.00 H new ATOM 797 N TYR A 51 17.670 13.348 -17.058 1.00 0.00 N ATOM 798 CA TYR A 51 16.635 12.486 -16.497 1.00 0.00 C ATOM 799 C TYR A 51 15.361 13.286 -16.236 1.00 0.00 C ATOM 800 O TYR A 51 14.252 12.782 -16.405 1.00 0.00 O ATOM 801 CB TYR A 51 17.135 11.831 -15.204 1.00 0.00 C ATOM 802 CG TYR A 51 16.059 11.118 -14.410 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.705 9.801 -14.686 1.00 0.00 C ATOM 804 CD2 TYR A 51 15.404 11.766 -13.375 1.00 0.00 C ATOM 805 CE1 TYR A 51 14.724 9.158 -13.949 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.429 11.132 -12.636 1.00 0.00 C ATOM 807 CZ TYR A 51 14.092 9.830 -12.922 1.00 0.00 C ATOM 808 OH TYR A 51 13.116 9.200 -12.177 1.00 0.00 O ATOM 0 H TYR A 51 18.488 13.464 -16.460 1.00 0.00 H new ATOM 0 HA TYR A 51 16.405 11.700 -17.217 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.920 11.117 -15.452 1.00 0.00 H new ATOM 0 HB3 TYR A 51 17.588 12.597 -14.574 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.202 9.273 -15.486 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.663 12.788 -13.143 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.455 8.137 -14.177 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.931 11.656 -11.834 1.00 0.00 H new ATOM 0 HH TYR A 51 12.614 9.867 -11.664 1.00 0.00 H new ATOM 818 N LEU A 52 15.528 14.537 -15.822 1.00 0.00 N ATOM 819 CA LEU A 52 14.396 15.425 -15.603 1.00 0.00 C ATOM 820 C LEU A 52 13.692 15.718 -16.921 1.00 0.00 C ATOM 821 O LEU A 52 12.478 15.866 -16.970 1.00 0.00 O ATOM 822 CB LEU A 52 14.851 16.734 -14.954 1.00 0.00 C ATOM 823 CG LEU A 52 15.510 16.588 -13.581 1.00 0.00 C ATOM 824 CD1 LEU A 52 15.855 17.953 -13.003 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.607 15.809 -12.634 1.00 0.00 C ATOM 0 H LEU A 52 16.437 14.958 -15.632 1.00 0.00 H new ATOM 0 HA LEU A 52 13.699 14.927 -14.929 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.553 17.228 -15.625 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.987 17.391 -14.856 1.00 0.00 H new ATOM 0 HG LEU A 52 16.438 16.029 -13.702 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.323 17.827 -12.026 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.545 18.468 -13.672 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.945 18.543 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.093 15.715 -11.663 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.661 16.337 -12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.420 14.816 -13.043 1.00 0.00 H new ATOM 837 N ARG A 53 14.468 15.777 -17.992 1.00 0.00 N ATOM 838 CA ARG A 53 13.914 15.990 -19.325 1.00 0.00 C ATOM 839 C ARG A 53 13.115 14.762 -19.753 1.00 0.00 C ATOM 840 O ARG A 53 12.159 14.856 -20.522 1.00 0.00 O ATOM 841 CB ARG A 53 15.036 16.275 -20.328 1.00 0.00 C ATOM 842 CG ARG A 53 14.546 16.617 -21.730 1.00 0.00 C ATOM 843 CD ARG A 53 15.706 16.919 -22.669 1.00 0.00 C ATOM 844 NE ARG A 53 16.537 18.016 -22.174 1.00 0.00 N ATOM 845 CZ ARG A 53 17.116 18.930 -22.950 1.00 0.00 C ATOM 846 NH1 ARG A 53 17.019 18.862 -24.274 1.00 0.00 N ATOM 847 NH2 ARG A 53 17.820 19.901 -22.391 1.00 0.00 N ATOM 0 H ARG A 53 15.483 15.681 -17.967 1.00 0.00 H new ATOM 0 HA ARG A 53 13.249 16.853 -19.300 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.641 17.101 -19.955 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.688 15.403 -20.385 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.963 15.785 -22.126 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.880 17.479 -21.684 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.318 16.025 -22.789 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.318 17.174 -23.655 1.00 0.00 H new ATOM 0 HE ARG A 53 16.683 18.086 -21.167 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.495 18.102 -24.709 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.468 19.570 -24.855 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.914 19.943 -21.376 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.268 20.607 -22.975 1.00 0.00 H new ATOM 861 N GLU A 54 13.517 13.615 -19.231 1.00 0.00 N ATOM 862 CA GLU A 54 12.842 12.364 -19.517 1.00 0.00 C ATOM 863 C GLU A 54 11.589 12.220 -18.655 1.00 0.00 C ATOM 864 O GLU A 54 10.486 12.060 -19.181 1.00 0.00 O ATOM 865 CB GLU A 54 13.787 11.186 -19.275 1.00 0.00 C ATOM 866 CG GLU A 54 15.074 11.254 -20.087 1.00 0.00 C ATOM 867 CD GLU A 54 14.847 11.111 -21.579 1.00 0.00 C ATOM 868 OE1 GLU A 54 14.352 12.068 -22.210 1.00 0.00 O ATOM 869 OE2 GLU A 54 15.187 10.046 -22.132 1.00 0.00 O ATOM 0 H GLU A 54 14.315 13.527 -18.602 1.00 0.00 H new ATOM 0 HA GLU A 54 12.542 12.366 -20.565 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.039 11.146 -18.215 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.266 10.259 -19.514 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.570 12.205 -19.891 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.750 10.467 -19.752 1.00 0.00 H new ATOM 876 N GLN A 55 11.752 12.269 -17.337 1.00 0.00 N ATOM 877 CA GLN A 55 10.629 12.070 -16.432 1.00 0.00 C ATOM 878 C GLN A 55 10.120 13.386 -15.843 1.00 0.00 C ATOM 879 O GLN A 55 9.020 13.828 -16.181 1.00 0.00 O ATOM 880 CB GLN A 55 11.004 11.088 -15.320 1.00 0.00 C ATOM 881 CG GLN A 55 9.891 10.855 -14.308 1.00 0.00 C ATOM 882 CD GLN A 55 10.108 9.620 -13.455 1.00 0.00 C ATOM 883 OE1 GLN A 55 10.768 8.616 -14.015 1.00 0.00 O flip ATOM 884 NE2 GLN A 55 9.674 9.562 -12.307 1.00 0.00 N flip ATOM 0 H GLN A 55 12.645 12.444 -16.876 1.00 0.00 H new ATOM 0 HA GLN A 55 9.813 11.646 -17.017 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.281 10.134 -15.768 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.885 11.463 -14.798 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.810 11.727 -13.659 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.942 10.762 -14.836 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.171 10.356 -11.911 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.817 8.720 -11.750 1.00 0.00 H new ATOM 893 N LEU A 56 10.936 14.026 -14.990 1.00 0.00 N ATOM 894 CA LEU A 56 10.480 15.167 -14.183 1.00 0.00 C ATOM 895 C LEU A 56 9.151 14.811 -13.509 1.00 0.00 C ATOM 896 O LEU A 56 8.203 15.600 -13.506 1.00 0.00 O ATOM 897 CB LEU A 56 10.316 16.414 -15.066 1.00 0.00 C ATOM 898 CG LEU A 56 10.822 17.730 -14.462 1.00 0.00 C ATOM 899 CD1 LEU A 56 10.858 18.818 -15.524 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.946 18.171 -13.300 1.00 0.00 C ATOM 0 H LEU A 56 11.913 13.773 -14.842 1.00 0.00 H new ATOM 0 HA LEU A 56 11.224 15.388 -13.417 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.840 16.242 -16.006 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.259 16.529 -15.307 1.00 0.00 H new ATOM 0 HG LEU A 56 11.831 17.561 -14.087 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.219 19.746 -15.082 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.526 18.517 -16.331 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.855 18.972 -15.922 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.328 19.106 -12.891 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.924 18.318 -13.650 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.957 17.405 -12.525 1.00 0.00 H new ATOM 912 N GLY A 57 9.092 13.614 -12.943 1.00 0.00 N ATOM 913 CA GLY A 57 7.822 13.064 -12.507 1.00 0.00 C ATOM 914 C GLY A 57 7.656 12.997 -11.006 1.00 0.00 C ATOM 915 O GLY A 57 6.542 13.157 -10.512 1.00 0.00 O ATOM 0 H GLY A 57 9.900 13.013 -12.777 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.016 13.668 -12.923 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.714 12.060 -12.918 1.00 0.00 H new ATOM 919 N PHE A 58 8.753 12.755 -10.281 1.00 0.00 N ATOM 920 CA PHE A 58 8.715 12.602 -8.821 1.00 0.00 C ATOM 921 C PHE A 58 7.877 11.375 -8.451 1.00 0.00 C ATOM 922 O PHE A 58 7.574 10.551 -9.319 1.00 0.00 O ATOM 923 CB PHE A 58 8.140 13.858 -8.146 1.00 0.00 C ATOM 924 CG PHE A 58 8.567 15.155 -8.785 1.00 0.00 C ATOM 925 CD1 PHE A 58 9.853 15.321 -9.275 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.672 16.204 -8.901 1.00 0.00 C ATOM 927 CE1 PHE A 58 10.235 16.509 -9.864 1.00 0.00 C ATOM 928 CE2 PHE A 58 8.049 17.394 -9.489 1.00 0.00 C ATOM 929 CZ PHE A 58 9.332 17.548 -9.969 1.00 0.00 C ATOM 0 H PHE A 58 9.685 12.660 -10.684 1.00 0.00 H new ATOM 0 HA PHE A 58 9.736 12.465 -8.464 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.052 13.799 -8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.443 13.865 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.564 14.512 -9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.665 16.090 -8.526 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.240 16.626 -10.243 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.340 18.204 -9.573 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.630 18.480 -10.426 1.00 0.00 H new ATOM 939 N GLU A 59 7.502 11.222 -7.184 1.00 0.00 N ATOM 940 CA GLU A 59 6.657 10.104 -6.812 1.00 0.00 C ATOM 941 C GLU A 59 5.245 10.586 -6.501 1.00 0.00 C ATOM 942 O GLU A 59 4.984 11.115 -5.425 1.00 0.00 O ATOM 943 CB GLU A 59 7.243 9.364 -5.614 1.00 0.00 C ATOM 944 CG GLU A 59 6.427 8.163 -5.171 1.00 0.00 C ATOM 945 CD GLU A 59 6.405 7.051 -6.200 1.00 0.00 C ATOM 946 OE1 GLU A 59 5.549 7.081 -7.108 1.00 0.00 O ATOM 947 OE2 GLU A 59 7.227 6.123 -6.086 1.00 0.00 O ATOM 0 H GLU A 59 7.764 11.843 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 59 6.610 9.413 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.252 9.034 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.331 10.059 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.835 7.778 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.405 8.481 -4.965 1.00 0.00 H new ATOM 954 N PHE A 60 4.339 10.397 -7.443 1.00 0.00 N ATOM 955 CA PHE A 60 2.953 10.792 -7.253 1.00 0.00 C ATOM 956 C PHE A 60 2.082 9.567 -7.043 1.00 0.00 C ATOM 957 O PHE A 60 1.905 8.750 -7.951 1.00 0.00 O ATOM 958 CB PHE A 60 2.444 11.611 -8.443 1.00 0.00 C ATOM 959 CG PHE A 60 2.814 13.066 -8.384 1.00 0.00 C ATOM 960 CD1 PHE A 60 4.102 13.484 -8.677 1.00 0.00 C ATOM 961 CD2 PHE A 60 1.868 14.019 -8.037 1.00 0.00 C ATOM 962 CE1 PHE A 60 4.439 14.824 -8.625 1.00 0.00 C ATOM 963 CE2 PHE A 60 2.200 15.360 -7.983 1.00 0.00 C ATOM 964 CZ PHE A 60 3.486 15.763 -8.277 1.00 0.00 C ATOM 0 H PHE A 60 4.537 9.972 -8.349 1.00 0.00 H new ATOM 0 HA PHE A 60 2.898 11.421 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.841 11.182 -9.363 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.359 11.524 -8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.851 12.755 -8.949 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.859 13.710 -7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.446 15.137 -8.856 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.453 16.091 -7.711 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.748 16.810 -8.235 1.00 0.00 H new ATOM 974 N LYS A 61 1.558 9.427 -5.837 1.00 0.00 N ATOM 975 CA LYS A 61 0.706 8.301 -5.512 1.00 0.00 C ATOM 976 C LYS A 61 -0.757 8.715 -5.524 1.00 0.00 C ATOM 977 O LYS A 61 -1.087 9.882 -5.743 1.00 0.00 O ATOM 978 CB LYS A 61 1.069 7.709 -4.147 1.00 0.00 C ATOM 979 CG LYS A 61 2.474 7.129 -4.069 1.00 0.00 C ATOM 980 CD LYS A 61 2.696 6.043 -5.108 1.00 0.00 C ATOM 981 CE LYS A 61 3.991 5.292 -4.849 1.00 0.00 C ATOM 982 NZ LYS A 61 4.386 4.455 -6.009 1.00 0.00 N ATOM 0 H LYS A 61 1.709 10.080 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 61 0.864 7.536 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.966 8.485 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.351 6.926 -3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.204 7.925 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.643 6.719 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.859 5.345 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.723 6.488 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.786 6.004 -4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.875 4.660 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.151 3.809 -5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.567 3.902 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.717 5.067 -6.782 1.00 0.00 H new ATOM 996 N ASN A 62 -1.621 7.746 -5.289 1.00 0.00 N ATOM 997 CA ASN A 62 -3.058 7.956 -5.295 1.00 0.00 C ATOM 998 C ASN A 62 -3.717 6.792 -4.578 1.00 0.00 C ATOM 999 O ASN A 62 -3.324 5.641 -4.784 1.00 0.00 O ATOM 1000 CB ASN A 62 -3.562 8.049 -6.743 1.00 0.00 C ATOM 1001 CG ASN A 62 -5.067 8.232 -6.868 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -5.680 7.728 -7.807 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -5.676 8.965 -5.951 1.00 0.00 N ATOM 0 H ASN A 62 -1.345 6.785 -5.087 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.306 8.887 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.063 8.883 -7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.272 7.144 -7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.682 9.125 -6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.140 9.370 -5.183 1.00 0.00 H new ATOM 1010 N ALA A 63 -4.692 7.077 -3.726 1.00 0.00 N ATOM 1011 CA ALA A 63 -5.407 6.027 -3.014 1.00 0.00 C ATOM 1012 C ALA A 63 -6.379 5.316 -3.951 1.00 0.00 C ATOM 1013 O ALA A 63 -7.595 5.354 -3.767 1.00 0.00 O ATOM 1014 CB ALA A 63 -6.134 6.590 -1.801 1.00 0.00 C ATOM 0 H ALA A 63 -5.005 8.024 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.680 5.298 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.660 5.786 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.412 7.044 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.851 7.344 -2.124 1.00 0.00 H new ATOM 1020 N GLN A 64 -5.820 4.682 -4.969 1.00 0.00 N ATOM 1021 CA GLN A 64 -6.582 3.913 -5.939 1.00 0.00 C ATOM 1022 C GLN A 64 -6.755 2.489 -5.411 1.00 0.00 C ATOM 1023 O GLN A 64 -6.617 1.504 -6.137 1.00 0.00 O ATOM 1024 CB GLN A 64 -5.835 3.926 -7.279 1.00 0.00 C ATOM 1025 CG GLN A 64 -6.625 3.373 -8.453 1.00 0.00 C ATOM 1026 CD GLN A 64 -5.834 3.413 -9.748 1.00 0.00 C ATOM 1027 OE1 GLN A 64 -4.517 3.307 -9.644 1.00 0.00 O flip ATOM 1028 NE2 GLN A 64 -6.397 3.534 -10.834 1.00 0.00 N flip ATOM 0 H GLN A 64 -4.816 4.687 -5.147 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.570 4.347 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.543 4.951 -7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.917 3.349 -7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.917 2.345 -8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.544 3.947 -8.573 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.413 3.613 -10.876 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.848 3.555 -11.693 1.00 0.00 H new ATOM 1037 N LEU A 65 -7.065 2.403 -4.128 1.00 0.00 N ATOM 1038 CA LEU A 65 -7.144 1.132 -3.435 1.00 0.00 C ATOM 1039 C LEU A 65 -8.488 0.460 -3.695 1.00 0.00 C ATOM 1040 O LEU A 65 -9.463 0.700 -2.983 1.00 0.00 O ATOM 1041 CB LEU A 65 -6.944 1.346 -1.931 1.00 0.00 C ATOM 1042 CG LEU A 65 -6.700 0.077 -1.118 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -5.371 -0.548 -1.506 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -6.729 0.389 0.370 1.00 0.00 C ATOM 0 H LEU A 65 -7.268 3.212 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.356 0.480 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.099 2.019 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.825 1.850 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.495 -0.637 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.209 -1.452 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.384 -0.801 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.565 0.160 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.554 -0.525 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.952 1.116 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.703 0.800 0.637 1.00 0.00 H new ATOM 1056 N GLU A 66 -8.548 -0.353 -4.737 1.00 0.00 N ATOM 1057 CA GLU A 66 -9.759 -1.090 -5.046 1.00 0.00 C ATOM 1058 C GLU A 66 -9.764 -2.432 -4.321 1.00 0.00 C ATOM 1059 O GLU A 66 -9.044 -3.361 -4.680 1.00 0.00 O ATOM 1060 CB GLU A 66 -9.932 -1.251 -6.566 1.00 0.00 C ATOM 1061 CG GLU A 66 -8.688 -1.718 -7.314 1.00 0.00 C ATOM 1062 CD GLU A 66 -8.670 -3.213 -7.576 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -9.666 -3.736 -8.121 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -7.649 -3.865 -7.279 1.00 0.00 O ATOM 0 H GLU A 66 -7.774 -0.518 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.617 -0.521 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.736 -1.963 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.250 -0.295 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.624 -1.189 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.803 -1.446 -6.738 1.00 0.00 H new ATOM 1071 N HIS A 67 -10.550 -2.506 -3.260 1.00 0.00 N ATOM 1072 CA HIS A 67 -10.669 -3.733 -2.487 1.00 0.00 C ATOM 1073 C HIS A 67 -11.602 -4.704 -3.205 1.00 0.00 C ATOM 1074 O HIS A 67 -12.709 -4.338 -3.604 1.00 0.00 O ATOM 1075 CB HIS A 67 -11.175 -3.430 -1.072 1.00 0.00 C ATOM 1076 CG HIS A 67 -11.107 -4.602 -0.139 1.00 0.00 C ATOM 1077 ND1 HIS A 67 -12.223 -5.256 0.332 1.00 0.00 N ATOM 1078 CD2 HIS A 67 -10.044 -5.229 0.418 1.00 0.00 C ATOM 1079 CE1 HIS A 67 -11.850 -6.233 1.139 1.00 0.00 C ATOM 1080 NE2 HIS A 67 -10.533 -6.239 1.205 1.00 0.00 N ATOM 0 H HIS A 67 -11.116 -1.731 -2.913 1.00 0.00 H new ATOM 0 HA HIS A 67 -9.686 -4.196 -2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.589 -2.611 -0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.207 -3.085 -1.132 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.004 -4.980 0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -12.511 -6.912 1.657 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.970 -6.890 1.753 1.00 0.00 H new ATOM 1089 N HIS A 68 -11.145 -5.936 -3.372 1.00 0.00 N ATOM 1090 CA HIS A 68 -11.870 -6.925 -4.162 1.00 0.00 C ATOM 1091 C HIS A 68 -12.998 -7.568 -3.365 1.00 0.00 C ATOM 1092 O HIS A 68 -12.805 -8.575 -2.685 1.00 0.00 O ATOM 1093 CB HIS A 68 -10.917 -8.003 -4.692 1.00 0.00 C ATOM 1094 CG HIS A 68 -9.977 -7.500 -5.742 1.00 0.00 C ATOM 1095 ND1 HIS A 68 -9.896 -8.046 -7.002 1.00 0.00 N ATOM 1096 CD2 HIS A 68 -9.087 -6.482 -5.717 1.00 0.00 C ATOM 1097 CE1 HIS A 68 -8.996 -7.383 -7.707 1.00 0.00 C ATOM 1098 NE2 HIS A 68 -8.492 -6.425 -6.950 1.00 0.00 N ATOM 0 H HIS A 68 -10.272 -6.278 -2.970 1.00 0.00 H new ATOM 0 HA HIS A 68 -12.314 -6.399 -5.007 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -10.339 -8.407 -3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -11.503 -8.825 -5.103 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.883 -5.833 -4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.719 -7.590 -8.730 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -7.779 -5.754 -7.236 1.00 0.00 H new ATOM 1107 N HIS A 69 -14.174 -6.971 -3.451 1.00 0.00 N ATOM 1108 CA HIS A 69 -15.352 -7.513 -2.798 1.00 0.00 C ATOM 1109 C HIS A 69 -16.367 -7.919 -3.855 1.00 0.00 C ATOM 1110 O HIS A 69 -16.735 -7.115 -4.709 1.00 0.00 O ATOM 1111 CB HIS A 69 -15.965 -6.480 -1.845 1.00 0.00 C ATOM 1112 CG HIS A 69 -16.925 -7.057 -0.850 1.00 0.00 C ATOM 1113 ND1 HIS A 69 -16.707 -7.007 0.507 1.00 0.00 N ATOM 1114 CD2 HIS A 69 -18.117 -7.683 -1.014 1.00 0.00 C ATOM 1115 CE1 HIS A 69 -17.715 -7.577 1.135 1.00 0.00 C ATOM 1116 NE2 HIS A 69 -18.586 -7.995 0.238 1.00 0.00 N ATOM 0 H HIS A 69 -14.338 -6.108 -3.969 1.00 0.00 H new ATOM 0 HA HIS A 69 -15.066 -8.386 -2.212 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -15.162 -5.976 -1.308 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -16.481 -5.721 -2.433 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -18.606 -7.896 -1.953 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -17.812 -7.684 2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -19.464 -8.472 0.441 1.00 0.00 H new ATOM 1125 N HIS A 70 -16.806 -9.161 -3.808 1.00 0.00 N ATOM 1126 CA HIS A 70 -17.759 -9.665 -4.785 1.00 0.00 C ATOM 1127 C HIS A 70 -19.116 -9.896 -4.145 1.00 0.00 C ATOM 1128 O HIS A 70 -19.203 -10.193 -2.956 1.00 0.00 O ATOM 1129 CB HIS A 70 -17.246 -10.955 -5.434 1.00 0.00 C ATOM 1130 CG HIS A 70 -16.213 -10.716 -6.494 1.00 0.00 C ATOM 1131 ND1 HIS A 70 -16.280 -11.281 -7.748 1.00 0.00 N ATOM 1132 CD2 HIS A 70 -15.092 -9.956 -6.488 1.00 0.00 C ATOM 1133 CE1 HIS A 70 -15.249 -10.877 -8.466 1.00 0.00 C ATOM 1134 NE2 HIS A 70 -14.511 -10.069 -7.725 1.00 0.00 N ATOM 0 H HIS A 70 -16.520 -9.842 -3.105 1.00 0.00 H new ATOM 0 HA HIS A 70 -17.871 -8.911 -5.564 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -16.823 -11.598 -4.662 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -18.087 -11.493 -5.871 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -14.723 -9.368 -5.660 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -15.043 -11.159 -9.488 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -13.652 -9.606 -8.023 1.00 0.00 H new ATOM 1143 N HIS A 71 -20.168 -9.746 -4.935 1.00 0.00 N ATOM 1144 CA HIS A 71 -21.528 -9.921 -4.441 1.00 0.00 C ATOM 1145 C HIS A 71 -22.245 -11.012 -5.225 1.00 0.00 C ATOM 1146 O HIS A 71 -22.188 -11.044 -6.455 1.00 0.00 O ATOM 1147 CB HIS A 71 -22.315 -8.598 -4.510 1.00 0.00 C ATOM 1148 CG HIS A 71 -22.395 -7.992 -5.880 1.00 0.00 C ATOM 1149 ND1 HIS A 71 -23.411 -8.265 -6.769 1.00 0.00 N ATOM 1150 CD2 HIS A 71 -21.574 -7.120 -6.512 1.00 0.00 C ATOM 1151 CE1 HIS A 71 -23.212 -7.587 -7.882 1.00 0.00 C ATOM 1152 NE2 HIS A 71 -22.105 -6.885 -7.754 1.00 0.00 N ATOM 0 H HIS A 71 -20.107 -9.503 -5.924 1.00 0.00 H new ATOM 0 HA HIS A 71 -21.472 -10.226 -3.396 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -23.327 -8.772 -4.144 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -21.851 -7.879 -3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -20.668 -6.689 -6.112 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -23.850 -7.604 -8.753 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -21.708 -6.268 -8.462 1.00 0.00 H new ATOM 1161 N HIS A 72 -22.892 -11.917 -4.506 1.00 0.00 N ATOM 1162 CA HIS A 72 -23.654 -12.986 -5.135 1.00 0.00 C ATOM 1163 C HIS A 72 -25.071 -12.514 -5.438 1.00 0.00 C ATOM 1164 O HIS A 72 -25.841 -12.274 -4.488 1.00 0.00 O ATOM 1165 CB HIS A 72 -23.663 -14.261 -4.264 1.00 0.00 C ATOM 1166 CG HIS A 72 -24.283 -14.110 -2.900 1.00 0.00 C ATOM 1167 ND1 HIS A 72 -23.607 -13.593 -1.818 1.00 0.00 N ATOM 1168 CD2 HIS A 72 -25.521 -14.430 -2.446 1.00 0.00 C ATOM 1169 CE1 HIS A 72 -24.396 -13.598 -0.762 1.00 0.00 C ATOM 1170 NE2 HIS A 72 -25.564 -14.100 -1.114 1.00 0.00 N ATOM 1171 OXT HIS A 72 -25.407 -12.371 -6.627 1.00 0.00 O ATOM 0 H HIS A 72 -22.905 -11.933 -3.486 1.00 0.00 H new ATOM 0 HA HIS A 72 -23.168 -13.244 -6.076 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -24.197 -15.044 -4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -22.635 -14.603 -4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -26.323 -14.864 -3.025 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -24.131 -13.250 0.225 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -26.367 -14.223 -0.498 1.00 0.00 H new TER 1180 HIS A 72 ATOM 1181 N MET B 1 13.294 -28.098 13.447 1.00 0.00 N ATOM 1182 CA MET B 1 14.120 -28.640 14.555 1.00 0.00 C ATOM 1183 C MET B 1 13.523 -28.252 15.904 1.00 0.00 C ATOM 1184 O MET B 1 13.107 -29.113 16.680 1.00 0.00 O ATOM 1185 CB MET B 1 15.559 -28.123 14.451 1.00 0.00 C ATOM 1186 CG MET B 1 16.474 -28.632 15.552 1.00 0.00 C ATOM 1187 SD MET B 1 18.155 -27.999 15.405 1.00 0.00 S ATOM 1188 CE MET B 1 18.641 -28.684 13.821 1.00 0.00 C ATOM 0 H1 MET B 1 13.714 -28.371 12.535 1.00 0.00 H new ATOM 0 H2 MET B 1 12.330 -28.482 13.513 1.00 0.00 H new ATOM 0 H3 MET B 1 13.259 -27.061 13.515 1.00 0.00 H new ATOM 0 HA MET B 1 14.130 -29.727 14.475 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.971 -28.415 13.485 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.547 -27.033 14.476 1.00 0.00 H new ATOM 0 HG2 MET B 1 16.065 -28.345 16.521 1.00 0.00 H new ATOM 0 HG3 MET B 1 16.496 -29.721 15.526 1.00 0.00 H new ATOM 0 HE1 MET B 1 19.676 -29.023 13.873 1.00 0.00 H new ATOM 0 HE2 MET B 1 17.995 -29.527 13.576 1.00 0.00 H new ATOM 0 HE3 MET B 1 18.548 -27.919 13.050 1.00 0.00 H new ATOM 1200 N VAL B 2 13.480 -26.956 16.185 1.00 0.00 N ATOM 1201 CA VAL B 2 12.882 -26.470 17.420 1.00 0.00 C ATOM 1202 C VAL B 2 11.519 -25.845 17.140 1.00 0.00 C ATOM 1203 O VAL B 2 11.415 -24.708 16.684 1.00 0.00 O ATOM 1204 CB VAL B 2 13.799 -25.469 18.163 1.00 0.00 C ATOM 1205 CG1 VAL B 2 14.939 -26.207 18.847 1.00 0.00 C ATOM 1206 CG2 VAL B 2 14.354 -24.413 17.216 1.00 0.00 C ATOM 0 H VAL B 2 13.851 -26.226 15.577 1.00 0.00 H new ATOM 0 HA VAL B 2 12.751 -27.330 18.077 1.00 0.00 H new ATOM 0 HB VAL B 2 13.196 -24.962 18.916 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.576 -25.491 19.366 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.532 -26.918 19.566 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.526 -26.741 18.100 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.994 -23.727 17.771 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.936 -24.897 16.432 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.530 -23.858 16.767 1.00 0.00 H new ATOM 1216 N GLU B 3 10.475 -26.611 17.398 1.00 0.00 N ATOM 1217 CA GLU B 3 9.117 -26.197 17.074 1.00 0.00 C ATOM 1218 C GLU B 3 8.282 -26.009 18.335 1.00 0.00 C ATOM 1219 O GLU B 3 7.055 -26.077 18.297 1.00 0.00 O ATOM 1220 CB GLU B 3 8.473 -27.237 16.160 1.00 0.00 C ATOM 1221 CG GLU B 3 8.657 -28.664 16.645 1.00 0.00 C ATOM 1222 CD GLU B 3 8.045 -29.682 15.708 1.00 0.00 C ATOM 1223 OE1 GLU B 3 8.362 -29.651 14.501 1.00 0.00 O ATOM 1224 OE2 GLU B 3 7.243 -30.513 16.178 1.00 0.00 O ATOM 0 H GLU B 3 10.540 -27.531 17.834 1.00 0.00 H new ATOM 0 HA GLU B 3 9.159 -25.237 16.559 1.00 0.00 H new ATOM 0 HB2 GLU B 3 7.407 -27.025 16.075 1.00 0.00 H new ATOM 0 HB3 GLU B 3 8.897 -27.144 15.160 1.00 0.00 H new ATOM 0 HG2 GLU B 3 9.721 -28.872 16.756 1.00 0.00 H new ATOM 0 HG3 GLU B 3 8.208 -28.769 17.633 1.00 0.00 H new ATOM 1231 N ASN B 4 8.951 -25.760 19.450 1.00 0.00 N ATOM 1232 CA ASN B 4 8.262 -25.573 20.718 1.00 0.00 C ATOM 1233 C ASN B 4 8.333 -24.115 21.147 1.00 0.00 C ATOM 1234 O ASN B 4 9.342 -23.670 21.695 1.00 0.00 O ATOM 1235 CB ASN B 4 8.871 -26.466 21.800 1.00 0.00 C ATOM 1236 CG ASN B 4 8.842 -27.936 21.434 1.00 0.00 C ATOM 1237 OD1 ASN B 4 9.773 -28.447 20.813 1.00 0.00 O ATOM 1238 ND2 ASN B 4 7.772 -28.623 21.805 1.00 0.00 N ATOM 0 H ASN B 4 9.967 -25.683 19.503 1.00 0.00 H new ATOM 0 HA ASN B 4 7.217 -25.853 20.584 1.00 0.00 H new ATOM 0 HB2 ASN B 4 9.902 -26.161 21.978 1.00 0.00 H new ATOM 0 HB3 ASN B 4 8.329 -26.318 22.734 1.00 0.00 H new ATOM 0 HD21 ASN B 4 7.698 -29.614 21.577 1.00 0.00 H new ATOM 0 HD22 ASN B 4 7.022 -28.161 22.319 1.00 0.00 H new ATOM 1245 N PRO B 5 7.272 -23.344 20.886 1.00 0.00 N ATOM 1246 CA PRO B 5 7.230 -21.925 21.212 1.00 0.00 C ATOM 1247 C PRO B 5 6.750 -21.663 22.638 1.00 0.00 C ATOM 1248 O PRO B 5 5.921 -22.402 23.174 1.00 0.00 O ATOM 1249 CB PRO B 5 6.228 -21.386 20.196 1.00 0.00 C ATOM 1250 CG PRO B 5 5.266 -22.509 19.976 1.00 0.00 C ATOM 1251 CD PRO B 5 6.018 -23.792 20.247 1.00 0.00 C ATOM 0 HA PRO B 5 8.213 -21.456 21.166 1.00 0.00 H new ATOM 0 HB2 PRO B 5 5.720 -20.498 20.574 1.00 0.00 H new ATOM 0 HB3 PRO B 5 6.721 -21.100 19.267 1.00 0.00 H new ATOM 0 HG2 PRO B 5 4.407 -22.417 20.641 1.00 0.00 H new ATOM 0 HG3 PRO B 5 4.882 -22.494 18.956 1.00 0.00 H new ATOM 0 HD2 PRO B 5 5.452 -24.456 20.901 1.00 0.00 H new ATOM 0 HD3 PRO B 5 6.214 -24.342 19.326 1.00 0.00 H new ATOM 1259 N MET B 6 7.290 -20.625 23.256 1.00 0.00 N ATOM 1260 CA MET B 6 6.862 -20.221 24.584 1.00 0.00 C ATOM 1261 C MET B 6 6.631 -18.717 24.618 1.00 0.00 C ATOM 1262 O MET B 6 7.573 -17.943 24.786 1.00 0.00 O ATOM 1263 CB MET B 6 7.905 -20.618 25.634 1.00 0.00 C ATOM 1264 CG MET B 6 7.478 -20.320 27.063 1.00 0.00 C ATOM 1265 SD MET B 6 8.741 -20.760 28.277 1.00 0.00 S ATOM 1266 CE MET B 6 8.946 -22.508 27.938 1.00 0.00 C ATOM 0 H MET B 6 8.028 -20.045 22.857 1.00 0.00 H new ATOM 0 HA MET B 6 5.928 -20.732 24.818 1.00 0.00 H new ATOM 0 HB2 MET B 6 8.113 -21.684 25.541 1.00 0.00 H new ATOM 0 HB3 MET B 6 8.836 -20.092 25.425 1.00 0.00 H new ATOM 0 HG2 MET B 6 7.247 -19.259 27.154 1.00 0.00 H new ATOM 0 HG3 MET B 6 6.561 -20.866 27.285 1.00 0.00 H new ATOM 0 HE1 MET B 6 9.435 -22.988 28.786 1.00 0.00 H new ATOM 0 HE2 MET B 6 7.969 -22.964 27.776 1.00 0.00 H new ATOM 0 HE3 MET B 6 9.559 -22.636 27.046 1.00 0.00 H new ATOM 1276 N VAL B 7 5.374 -18.320 24.429 1.00 0.00 N ATOM 1277 CA VAL B 7 4.986 -16.910 24.406 1.00 0.00 C ATOM 1278 C VAL B 7 5.638 -16.190 23.223 1.00 0.00 C ATOM 1279 O VAL B 7 6.715 -15.605 23.341 1.00 0.00 O ATOM 1280 CB VAL B 7 5.334 -16.179 25.727 1.00 0.00 C ATOM 1281 CG1 VAL B 7 4.828 -14.741 25.705 1.00 0.00 C ATOM 1282 CG2 VAL B 7 4.758 -16.924 26.924 1.00 0.00 C ATOM 0 H VAL B 7 4.597 -18.965 24.288 1.00 0.00 H new ATOM 0 HA VAL B 7 3.902 -16.884 24.293 1.00 0.00 H new ATOM 0 HB VAL B 7 6.420 -16.158 25.821 1.00 0.00 H new ATOM 0 HG11 VAL B 7 5.085 -14.250 26.644 1.00 0.00 H new ATOM 0 HG12 VAL B 7 5.291 -14.205 24.877 1.00 0.00 H new ATOM 0 HG13 VAL B 7 3.745 -14.738 25.579 1.00 0.00 H new ATOM 0 HG21 VAL B 7 5.014 -16.393 27.841 1.00 0.00 H new ATOM 0 HG22 VAL B 7 3.674 -16.982 26.829 1.00 0.00 H new ATOM 0 HG23 VAL B 7 5.173 -17.931 26.960 1.00 0.00 H new ATOM 1292 N ILE B 8 4.972 -16.239 22.080 1.00 0.00 N ATOM 1293 CA ILE B 8 5.512 -15.674 20.847 1.00 0.00 C ATOM 1294 C ILE B 8 5.136 -14.205 20.690 1.00 0.00 C ATOM 1295 O ILE B 8 5.223 -13.644 19.600 1.00 0.00 O ATOM 1296 CB ILE B 8 5.029 -16.459 19.608 1.00 0.00 C ATOM 1297 CG1 ILE B 8 3.495 -16.501 19.559 1.00 0.00 C ATOM 1298 CG2 ILE B 8 5.612 -17.867 19.618 1.00 0.00 C ATOM 1299 CD1 ILE B 8 2.937 -17.211 18.343 1.00 0.00 C ATOM 0 H ILE B 8 4.051 -16.666 21.978 1.00 0.00 H new ATOM 0 HA ILE B 8 6.597 -15.754 20.918 1.00 0.00 H new ATOM 0 HB ILE B 8 5.380 -15.948 18.711 1.00 0.00 H new ATOM 0 HG12 ILE B 8 3.126 -16.996 20.457 1.00 0.00 H new ATOM 0 HG13 ILE B 8 3.113 -15.480 19.578 1.00 0.00 H new ATOM 0 HG21 ILE B 8 5.264 -18.411 18.740 1.00 0.00 H new ATOM 0 HG22 ILE B 8 6.700 -17.810 19.603 1.00 0.00 H new ATOM 0 HG23 ILE B 8 5.289 -18.388 20.519 1.00 0.00 H new ATOM 0 HD11 ILE B 8 1.848 -17.198 18.382 1.00 0.00 H new ATOM 0 HD12 ILE B 8 3.274 -16.704 17.439 1.00 0.00 H new ATOM 0 HD13 ILE B 8 3.287 -18.243 18.332 1.00 0.00 H new ATOM 1311 N ASN B 9 4.728 -13.579 21.786 1.00 0.00 N ATOM 1312 CA ASN B 9 4.383 -12.162 21.767 1.00 0.00 C ATOM 1313 C ASN B 9 5.637 -11.306 21.716 1.00 0.00 C ATOM 1314 O ASN B 9 5.638 -10.233 21.116 1.00 0.00 O ATOM 1315 CB ASN B 9 3.550 -11.781 22.993 1.00 0.00 C ATOM 1316 CG ASN B 9 2.108 -12.248 22.907 1.00 0.00 C ATOM 1317 OD1 ASN B 9 1.564 -12.292 21.699 1.00 0.00 O flip ATOM 1318 ND2 ASN B 9 1.484 -12.557 23.923 1.00 0.00 N flip ATOM 0 H ASN B 9 4.628 -14.027 22.697 1.00 0.00 H new ATOM 0 HA ASN B 9 3.789 -11.979 20.871 1.00 0.00 H new ATOM 0 HB2 ASN B 9 4.011 -12.208 23.884 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.567 -10.698 23.113 1.00 0.00 H new ATOM 0 HD21 ASN B 9 1.939 -12.510 24.835 1.00 0.00 H new ATOM 0 HD22 ASN B 9 0.513 -12.860 23.852 1.00 0.00 H new ATOM 1325 N ASN B 10 6.708 -11.801 22.340 1.00 0.00 N ATOM 1326 CA ASN B 10 7.967 -11.062 22.440 1.00 0.00 C ATOM 1327 C ASN B 10 7.731 -9.718 23.124 1.00 0.00 C ATOM 1328 O ASN B 10 6.772 -9.560 23.878 1.00 0.00 O ATOM 1329 CB ASN B 10 8.595 -10.840 21.052 1.00 0.00 C ATOM 1330 CG ASN B 10 8.937 -12.133 20.336 1.00 0.00 C ATOM 1331 OD1 ASN B 10 10.022 -12.686 20.512 1.00 0.00 O ATOM 1332 ND2 ASN B 10 8.026 -12.611 19.502 1.00 0.00 N ATOM 0 H ASN B 10 6.727 -12.718 22.787 1.00 0.00 H new ATOM 0 HA ASN B 10 8.660 -11.656 23.036 1.00 0.00 H new ATOM 0 HB2 ASN B 10 7.905 -10.263 20.436 1.00 0.00 H new ATOM 0 HB3 ASN B 10 9.500 -10.243 21.161 1.00 0.00 H new ATOM 0 HD21 ASN B 10 8.213 -13.466 18.979 1.00 0.00 H new ATOM 0 HD22 ASN B 10 7.138 -12.124 19.383 1.00 0.00 H new ATOM 1339 N TRP B 11 8.617 -8.764 22.881 1.00 0.00 N ATOM 1340 CA TRP B 11 8.411 -7.408 23.365 1.00 0.00 C ATOM 1341 C TRP B 11 8.678 -6.409 22.244 1.00 0.00 C ATOM 1342 O TRP B 11 7.798 -5.631 21.873 1.00 0.00 O ATOM 1343 CB TRP B 11 9.307 -7.107 24.571 1.00 0.00 C ATOM 1344 CG TRP B 11 8.988 -5.793 25.218 1.00 0.00 C ATOM 1345 CD1 TRP B 11 9.676 -4.622 25.087 1.00 0.00 C ATOM 1346 CD2 TRP B 11 7.884 -5.514 26.086 1.00 0.00 C ATOM 1347 NE1 TRP B 11 9.067 -3.633 25.821 1.00 0.00 N ATOM 1348 CE2 TRP B 11 7.966 -4.157 26.445 1.00 0.00 C ATOM 1349 CE3 TRP B 11 6.834 -6.282 26.598 1.00 0.00 C ATOM 1350 CZ2 TRP B 11 7.034 -3.551 27.285 1.00 0.00 C ATOM 1351 CZ3 TRP B 11 5.911 -5.680 27.433 1.00 0.00 C ATOM 1352 CH2 TRP B 11 6.017 -4.326 27.771 1.00 0.00 C ATOM 0 H TRP B 11 9.480 -8.902 22.355 1.00 0.00 H new ATOM 0 HA TRP B 11 7.374 -7.315 23.688 1.00 0.00 H new ATOM 0 HB2 TRP B 11 9.199 -7.904 25.306 1.00 0.00 H new ATOM 0 HB3 TRP B 11 10.349 -7.106 24.252 1.00 0.00 H new ATOM 0 HD1 TRP B 11 10.569 -4.492 24.493 1.00 0.00 H new ATOM 0 HE1 TRP B 11 9.383 -2.666 25.890 1.00 0.00 H new ATOM 0 HE3 TRP B 11 6.745 -7.328 26.345 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 7.112 -2.505 27.543 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 5.095 -6.264 27.831 1.00 0.00 H new ATOM 0 HH2 TRP B 11 5.282 -3.885 28.428 1.00 0.00 H new ATOM 1363 N HIS B 12 9.900 -6.427 21.717 1.00 0.00 N ATOM 1364 CA HIS B 12 10.246 -5.583 20.575 1.00 0.00 C ATOM 1365 C HIS B 12 9.634 -6.144 19.293 1.00 0.00 C ATOM 1366 O HIS B 12 9.041 -5.398 18.516 1.00 0.00 O ATOM 1367 CB HIS B 12 11.774 -5.422 20.426 1.00 0.00 C ATOM 1368 CG HIS B 12 12.524 -6.689 20.126 1.00 0.00 C ATOM 1369 ND1 HIS B 12 13.030 -6.995 18.878 1.00 0.00 N ATOM 1370 CD2 HIS B 12 12.853 -7.730 20.925 1.00 0.00 C ATOM 1371 CE1 HIS B 12 13.632 -8.170 18.927 1.00 0.00 C ATOM 1372 NE2 HIS B 12 13.537 -8.635 20.158 1.00 0.00 N ATOM 0 H HIS B 12 10.662 -7.012 22.059 1.00 0.00 H new ATOM 0 HA HIS B 12 9.830 -4.592 20.757 1.00 0.00 H new ATOM 0 HB2 HIS B 12 11.972 -4.704 19.630 1.00 0.00 H new ATOM 0 HB3 HIS B 12 12.170 -4.994 21.347 1.00 0.00 H new ATOM 0 HD2 HIS B 12 12.619 -7.829 21.975 1.00 0.00 H new ATOM 0 HE1 HIS B 12 14.119 -8.666 18.100 1.00 0.00 H new ATOM 0 HE2 HIS B 12 13.912 -9.525 20.486 1.00 0.00 H new ATOM 1381 N ASP B 13 9.781 -7.464 19.108 1.00 0.00 N ATOM 1382 CA ASP B 13 9.273 -8.189 17.936 1.00 0.00 C ATOM 1383 C ASP B 13 9.441 -7.372 16.649 1.00 0.00 C ATOM 1384 O ASP B 13 10.564 -7.171 16.182 1.00 0.00 O ATOM 1385 CB ASP B 13 7.810 -8.601 18.153 1.00 0.00 C ATOM 1386 CG ASP B 13 7.339 -9.627 17.141 1.00 0.00 C ATOM 1387 OD1 ASP B 13 8.046 -10.634 16.933 1.00 0.00 O ATOM 1388 OD2 ASP B 13 6.260 -9.431 16.548 1.00 0.00 O ATOM 0 H ASP B 13 10.262 -8.065 19.777 1.00 0.00 H new ATOM 0 HA ASP B 13 9.867 -9.095 17.816 1.00 0.00 H new ATOM 0 HB2 ASP B 13 7.696 -9.008 19.158 1.00 0.00 H new ATOM 0 HB3 ASP B 13 7.174 -7.718 18.093 1.00 0.00 H new ATOM 1393 N LYS B 14 8.329 -6.895 16.096 1.00 0.00 N ATOM 1394 CA LYS B 14 8.344 -5.996 14.946 1.00 0.00 C ATOM 1395 C LYS B 14 6.945 -5.433 14.734 1.00 0.00 C ATOM 1396 O LYS B 14 5.993 -5.862 15.385 1.00 0.00 O ATOM 1397 CB LYS B 14 8.839 -6.689 13.656 1.00 0.00 C ATOM 1398 CG LYS B 14 7.886 -7.733 13.079 1.00 0.00 C ATOM 1399 CD LYS B 14 7.857 -8.991 13.922 1.00 0.00 C ATOM 1400 CE LYS B 14 6.787 -9.965 13.464 1.00 0.00 C ATOM 1401 NZ LYS B 14 6.624 -11.079 14.431 1.00 0.00 N ATOM 0 H LYS B 14 7.393 -7.121 16.432 1.00 0.00 H new ATOM 0 HA LYS B 14 9.048 -5.192 15.161 1.00 0.00 H new ATOM 0 HB2 LYS B 14 9.021 -5.927 12.899 1.00 0.00 H new ATOM 0 HB3 LYS B 14 9.796 -7.167 13.863 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.882 -7.314 13.016 1.00 0.00 H new ATOM 0 HG3 LYS B 14 8.192 -7.983 12.063 1.00 0.00 H new ATOM 0 HD2 LYS B 14 8.831 -9.478 13.878 1.00 0.00 H new ATOM 0 HD3 LYS B 14 7.680 -8.724 14.964 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.839 -9.439 13.348 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.051 -10.366 12.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 6.028 -11.820 14.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 7.557 -11.475 14.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.172 -10.723 15.298 1.00 0.00 H new ATOM 1415 N LEU B 15 6.814 -4.481 13.827 1.00 0.00 N ATOM 1416 CA LEU B 15 5.526 -3.863 13.574 1.00 0.00 C ATOM 1417 C LEU B 15 4.809 -4.575 12.437 1.00 0.00 C ATOM 1418 O LEU B 15 5.188 -4.446 11.270 1.00 0.00 O ATOM 1419 CB LEU B 15 5.688 -2.375 13.256 1.00 0.00 C ATOM 1420 CG LEU B 15 6.225 -1.522 14.407 1.00 0.00 C ATOM 1421 CD1 LEU B 15 6.365 -0.075 13.970 1.00 0.00 C ATOM 1422 CD2 LEU B 15 5.310 -1.627 15.617 1.00 0.00 C ATOM 0 H LEU B 15 7.579 -4.121 13.257 1.00 0.00 H new ATOM 0 HA LEU B 15 4.922 -3.954 14.477 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.360 -2.272 12.404 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.721 -1.977 12.950 1.00 0.00 H new ATOM 0 HG LEU B 15 7.210 -1.896 14.687 1.00 0.00 H new ATOM 0 HD11 LEU B 15 6.748 0.520 14.799 1.00 0.00 H new ATOM 0 HD12 LEU B 15 7.057 -0.014 13.130 1.00 0.00 H new ATOM 0 HD13 LEU B 15 5.391 0.309 13.667 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.706 -1.014 16.427 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.313 -1.276 15.351 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.254 -2.666 15.942 1.00 0.00 H new ATOM 1434 N THR B 16 3.792 -5.346 12.789 1.00 0.00 N ATOM 1435 CA THR B 16 2.970 -6.030 11.804 1.00 0.00 C ATOM 1436 C THR B 16 2.279 -5.020 10.899 1.00 0.00 C ATOM 1437 O THR B 16 2.274 -5.160 9.673 1.00 0.00 O ATOM 1438 CB THR B 16 1.924 -6.915 12.501 1.00 0.00 C ATOM 1439 OG1 THR B 16 1.427 -6.246 13.671 1.00 0.00 O ATOM 1440 CG2 THR B 16 2.527 -8.258 12.893 1.00 0.00 C ATOM 0 H THR B 16 3.515 -5.514 13.756 1.00 0.00 H new ATOM 0 HA THR B 16 3.616 -6.663 11.196 1.00 0.00 H new ATOM 0 HB THR B 16 1.104 -7.095 11.806 1.00 0.00 H new ATOM 0 HG1 THR B 16 0.694 -5.647 13.419 1.00 0.00 H new ATOM 0 HG21 THR B 16 1.769 -8.868 13.385 1.00 0.00 H new ATOM 0 HG22 THR B 16 2.883 -8.772 12.000 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.362 -8.097 13.575 1.00 0.00 H new ATOM 1448 N GLU B 17 1.716 -3.993 11.518 1.00 0.00 N ATOM 1449 CA GLU B 17 1.094 -2.898 10.791 1.00 0.00 C ATOM 1450 C GLU B 17 2.153 -2.107 10.036 1.00 0.00 C ATOM 1451 O GLU B 17 2.860 -1.280 10.610 1.00 0.00 O ATOM 1452 CB GLU B 17 0.320 -1.991 11.753 1.00 0.00 C ATOM 1453 CG GLU B 17 -1.076 -2.501 12.095 1.00 0.00 C ATOM 1454 CD GLU B 17 -1.128 -4.000 12.326 1.00 0.00 C ATOM 1455 OE1 GLU B 17 -0.717 -4.464 13.413 1.00 0.00 O ATOM 1456 OE2 GLU B 17 -1.578 -4.723 11.410 1.00 0.00 O ATOM 0 H GLU B 17 1.678 -3.896 12.533 1.00 0.00 H new ATOM 0 HA GLU B 17 0.388 -3.308 10.069 1.00 0.00 H new ATOM 0 HB2 GLU B 17 0.892 -1.883 12.674 1.00 0.00 H new ATOM 0 HB3 GLU B 17 0.235 -0.998 11.312 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.433 -1.990 12.989 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.758 -2.241 11.286 1.00 0.00 H new ATOM 1463 N THR B 18 2.278 -2.406 8.754 1.00 0.00 N ATOM 1464 CA THR B 18 3.290 -1.790 7.912 1.00 0.00 C ATOM 1465 C THR B 18 2.705 -0.614 7.137 1.00 0.00 C ATOM 1466 O THR B 18 3.431 0.216 6.593 1.00 0.00 O ATOM 1467 CB THR B 18 3.837 -2.820 6.918 1.00 0.00 C ATOM 1468 OG1 THR B 18 4.001 -4.087 7.574 1.00 0.00 O ATOM 1469 CG2 THR B 18 5.170 -2.373 6.332 1.00 0.00 C ATOM 0 H THR B 18 1.684 -3.079 8.269 1.00 0.00 H new ATOM 0 HA THR B 18 4.094 -1.429 8.554 1.00 0.00 H new ATOM 0 HB THR B 18 3.121 -2.914 6.102 1.00 0.00 H new ATOM 0 HG1 THR B 18 4.349 -4.744 6.935 1.00 0.00 H new ATOM 0 HG21 THR B 18 5.530 -3.126 5.631 1.00 0.00 H new ATOM 0 HG22 THR B 18 5.039 -1.425 5.810 1.00 0.00 H new ATOM 0 HG23 THR B 18 5.897 -2.248 7.135 1.00 0.00 H new ATOM 1477 N ASP B 19 1.380 -0.543 7.113 1.00 0.00 N ATOM 1478 CA ASP B 19 0.661 0.497 6.382 1.00 0.00 C ATOM 1479 C ASP B 19 0.638 1.799 7.175 1.00 0.00 C ATOM 1480 O ASP B 19 -0.337 2.551 7.135 1.00 0.00 O ATOM 1481 CB ASP B 19 -0.770 0.024 6.092 1.00 0.00 C ATOM 1482 CG ASP B 19 -1.537 -0.353 7.348 1.00 0.00 C ATOM 1483 OD1 ASP B 19 -1.212 -1.400 7.950 1.00 0.00 O ATOM 1484 OD2 ASP B 19 -2.474 0.384 7.728 1.00 0.00 O ATOM 0 H ASP B 19 0.773 -1.203 7.599 1.00 0.00 H new ATOM 0 HA ASP B 19 1.176 0.685 5.440 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -1.308 0.813 5.567 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -0.734 -0.836 5.423 1.00 0.00 H new ATOM 1489 N VAL B 20 1.735 2.077 7.859 1.00 0.00 N ATOM 1490 CA VAL B 20 1.802 3.207 8.764 1.00 0.00 C ATOM 1491 C VAL B 20 3.000 4.092 8.436 1.00 0.00 C ATOM 1492 O VAL B 20 4.139 3.762 8.768 1.00 0.00 O ATOM 1493 CB VAL B 20 1.903 2.742 10.231 1.00 0.00 C ATOM 1494 CG1 VAL B 20 1.460 3.851 11.169 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.089 1.473 10.459 1.00 0.00 C ATOM 0 H VAL B 20 2.595 1.531 7.803 1.00 0.00 H new ATOM 0 HA VAL B 20 0.883 3.779 8.636 1.00 0.00 H new ATOM 0 HB VAL B 20 2.946 2.508 10.446 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.537 3.507 12.201 1.00 0.00 H new ATOM 0 HG12 VAL B 20 2.098 4.723 11.028 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.426 4.120 10.952 1.00 0.00 H new ATOM 0 HG21 VAL B 20 1.177 1.166 11.501 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.042 1.665 10.225 1.00 0.00 H new ATOM 0 HG23 VAL B 20 1.465 0.679 9.814 1.00 0.00 H new ATOM 1505 N GLN B 21 2.732 5.200 7.766 1.00 0.00 N ATOM 1506 CA GLN B 21 3.761 6.167 7.406 1.00 0.00 C ATOM 1507 C GLN B 21 3.203 7.570 7.585 1.00 0.00 C ATOM 1508 O GLN B 21 2.078 7.838 7.185 1.00 0.00 O ATOM 1509 CB GLN B 21 4.210 5.956 5.951 1.00 0.00 C ATOM 1510 CG GLN B 21 3.057 5.715 4.994 1.00 0.00 C ATOM 1511 CD GLN B 21 3.509 5.458 3.573 1.00 0.00 C ATOM 1512 OE1 GLN B 21 4.595 4.930 3.333 1.00 0.00 O ATOM 1513 NE2 GLN B 21 2.675 5.828 2.619 1.00 0.00 N ATOM 0 H GLN B 21 1.795 5.457 7.455 1.00 0.00 H new ATOM 0 HA GLN B 21 4.628 6.032 8.052 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.770 6.831 5.621 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.892 5.107 5.908 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.475 4.862 5.344 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.395 6.581 5.007 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.784 6.262 2.860 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.921 5.679 1.640 1.00 0.00 H new ATOM 1522 N ILE B 22 3.953 8.460 8.211 1.00 0.00 N ATOM 1523 CA ILE B 22 3.475 9.825 8.369 1.00 0.00 C ATOM 1524 C ILE B 22 4.099 10.729 7.316 1.00 0.00 C ATOM 1525 O ILE B 22 5.183 10.446 6.794 1.00 0.00 O ATOM 1526 CB ILE B 22 3.762 10.419 9.762 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.534 9.400 10.870 1.00 0.00 C ATOM 1528 CG2 ILE B 22 2.855 11.614 10.002 1.00 0.00 C ATOM 1529 CD1 ILE B 22 3.676 10.003 12.249 1.00 0.00 C ATOM 0 H ILE B 22 4.873 8.271 8.610 1.00 0.00 H new ATOM 0 HA ILE B 22 2.393 9.777 8.248 1.00 0.00 H new ATOM 0 HB ILE B 22 4.809 10.720 9.782 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.537 8.971 10.765 1.00 0.00 H new ATOM 0 HG13 ILE B 22 4.246 8.582 10.759 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.059 12.033 10.987 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.041 12.371 9.240 1.00 0.00 H new ATOM 0 HG23 ILE B 22 1.814 11.296 9.951 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.504 9.234 13.002 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.681 10.408 12.367 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.946 10.803 12.373 1.00 0.00 H new ATOM 1541 N ASP B 23 3.409 11.810 7.002 1.00 0.00 N ATOM 1542 CA ASP B 23 3.870 12.754 6.009 1.00 0.00 C ATOM 1543 C ASP B 23 4.654 13.891 6.666 1.00 0.00 C ATOM 1544 O ASP B 23 4.971 13.841 7.858 1.00 0.00 O ATOM 1545 CB ASP B 23 2.671 13.325 5.256 1.00 0.00 C ATOM 1546 CG ASP B 23 1.904 14.341 6.078 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.475 14.008 7.208 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.766 15.486 5.605 1.00 0.00 O ATOM 0 H ASP B 23 2.516 12.055 7.429 1.00 0.00 H new ATOM 0 HA ASP B 23 4.530 12.236 5.314 1.00 0.00 H new ATOM 0 HB2 ASP B 23 3.014 13.793 4.333 1.00 0.00 H new ATOM 0 HB3 ASP B 23 2.003 12.512 4.972 1.00 0.00 H new ATOM 1553 N PHE B 24 4.954 14.907 5.871 1.00 0.00 N ATOM 1554 CA PHE B 24 5.661 16.095 6.322 1.00 0.00 C ATOM 1555 C PHE B 24 4.886 16.824 7.420 1.00 0.00 C ATOM 1556 O PHE B 24 5.484 17.361 8.358 1.00 0.00 O ATOM 1557 CB PHE B 24 5.889 17.024 5.121 1.00 0.00 C ATOM 1558 CG PHE B 24 6.504 18.353 5.460 1.00 0.00 C ATOM 1559 CD1 PHE B 24 7.862 18.463 5.702 1.00 0.00 C ATOM 1560 CD2 PHE B 24 5.722 19.495 5.522 1.00 0.00 C ATOM 1561 CE1 PHE B 24 8.430 19.686 6.003 1.00 0.00 C ATOM 1562 CE2 PHE B 24 6.282 20.720 5.824 1.00 0.00 C ATOM 1563 CZ PHE B 24 7.639 20.816 6.064 1.00 0.00 C ATOM 0 H PHE B 24 4.710 14.929 4.881 1.00 0.00 H new ATOM 0 HA PHE B 24 6.619 15.795 6.746 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.531 16.515 4.403 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.933 17.197 4.627 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.485 17.582 5.655 1.00 0.00 H new ATOM 0 HD2 PHE B 24 4.661 19.426 5.332 1.00 0.00 H new ATOM 0 HE1 PHE B 24 9.491 19.758 6.190 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.660 21.602 5.873 1.00 0.00 H new ATOM 0 HZ PHE B 24 8.080 21.773 6.299 1.00 0.00 H new ATOM 1573 N TYR B 25 3.563 16.827 7.315 1.00 0.00 N ATOM 1574 CA TYR B 25 2.730 17.574 8.246 1.00 0.00 C ATOM 1575 C TYR B 25 2.752 16.938 9.635 1.00 0.00 C ATOM 1576 O TYR B 25 2.733 17.642 10.647 1.00 0.00 O ATOM 1577 CB TYR B 25 1.293 17.668 7.728 1.00 0.00 C ATOM 1578 CG TYR B 25 0.520 18.819 8.326 1.00 0.00 C ATOM 1579 CD1 TYR B 25 0.566 20.077 7.742 1.00 0.00 C ATOM 1580 CD2 TYR B 25 -0.238 18.655 9.478 1.00 0.00 C ATOM 1581 CE1 TYR B 25 -0.124 21.141 8.286 1.00 0.00 C ATOM 1582 CE2 TYR B 25 -0.928 19.714 10.030 1.00 0.00 C ATOM 1583 CZ TYR B 25 -0.869 20.955 9.430 1.00 0.00 C ATOM 1584 OH TYR B 25 -1.548 22.012 9.985 1.00 0.00 O ATOM 0 H TYR B 25 3.046 16.321 6.596 1.00 0.00 H new ATOM 0 HA TYR B 25 3.139 18.581 8.326 1.00 0.00 H new ATOM 0 HB2 TYR B 25 1.311 17.775 6.643 1.00 0.00 H new ATOM 0 HB3 TYR B 25 0.773 16.736 7.948 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.152 20.226 6.847 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -0.288 17.684 9.948 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -0.080 22.113 7.818 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -1.512 19.572 10.928 1.00 0.00 H new ATOM 0 HH TYR B 25 -2.024 21.710 10.787 1.00 0.00 H new ATOM 1594 N GLY B 26 2.800 15.609 9.689 1.00 0.00 N ATOM 1595 CA GLY B 26 2.865 14.932 10.963 1.00 0.00 C ATOM 1596 C GLY B 26 1.512 14.464 11.443 1.00 0.00 C ATOM 1597 O GLY B 26 1.244 14.453 12.645 1.00 0.00 O ATOM 0 H GLY B 26 2.795 14.995 8.874 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.533 14.075 10.881 1.00 0.00 H new ATOM 0 HA3 GLY B 26 3.297 15.603 11.705 1.00 0.00 H new ATOM 1601 N ASP B 27 0.647 14.089 10.508 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.639 13.510 10.869 1.00 0.00 C ATOM 1603 C ASP B 27 -0.554 11.989 10.769 1.00 0.00 C ATOM 1604 O ASP B 27 -0.058 11.340 11.686 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.766 14.048 9.979 1.00 0.00 C ATOM 1606 CG ASP B 27 -3.142 13.765 10.555 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -3.705 12.684 10.287 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -3.672 14.631 11.284 1.00 0.00 O ATOM 0 H ASP B 27 0.811 14.175 9.505 1.00 0.00 H new ATOM 0 HA ASP B 27 -0.873 13.794 11.895 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.643 15.123 9.851 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -1.690 13.598 8.989 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.997 11.447 9.634 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.913 10.015 9.339 1.00 0.00 C ATOM 1615 C GLU B 28 -1.216 9.780 7.868 1.00 0.00 C ATOM 1616 O GLU B 28 -2.129 10.393 7.312 1.00 0.00 O ATOM 1617 CB GLU B 28 -1.899 9.201 10.184 1.00 0.00 C ATOM 1618 CG GLU B 28 -1.355 8.755 11.530 1.00 0.00 C ATOM 1619 CD GLU B 28 -0.271 7.700 11.423 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -0.515 6.655 10.784 1.00 0.00 O ATOM 1621 OE2 GLU B 28 0.817 7.899 12.008 1.00 0.00 O ATOM 0 H GLU B 28 -1.427 11.993 8.888 1.00 0.00 H new ATOM 0 HA GLU B 28 0.098 9.687 9.580 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -2.796 9.798 10.348 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.202 8.320 9.618 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.957 9.622 12.058 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -2.174 8.363 12.133 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.448 8.910 7.240 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.688 8.543 5.856 1.00 0.00 C ATOM 1630 C VAL B 29 -0.861 7.035 5.748 1.00 0.00 C ATOM 1631 O VAL B 29 0.108 6.275 5.776 1.00 0.00 O ATOM 1632 CB VAL B 29 0.460 9.004 4.932 1.00 0.00 C ATOM 1633 CG1 VAL B 29 0.206 8.565 3.500 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.632 10.512 5.000 1.00 0.00 C ATOM 0 H VAL B 29 0.351 8.442 7.668 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.598 9.046 5.531 1.00 0.00 H new ATOM 0 HB VAL B 29 1.382 8.536 5.278 1.00 0.00 H new ATOM 0 HG11 VAL B 29 1.027 8.900 2.866 1.00 0.00 H new ATOM 0 HG12 VAL B 29 0.137 7.478 3.460 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.728 9.002 3.146 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.446 10.815 4.342 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.291 10.998 4.684 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.865 10.806 6.024 1.00 0.00 H new ATOM 1644 N THR B 30 -2.100 6.605 5.650 1.00 0.00 N ATOM 1645 CA THR B 30 -2.404 5.193 5.584 1.00 0.00 C ATOM 1646 C THR B 30 -2.738 4.808 4.134 1.00 0.00 C ATOM 1647 O THR B 30 -2.776 5.680 3.266 1.00 0.00 O ATOM 1648 CB THR B 30 -3.563 4.857 6.550 1.00 0.00 C ATOM 1649 OG1 THR B 30 -4.767 5.514 6.141 1.00 0.00 O ATOM 1650 CG2 THR B 30 -3.210 5.284 7.973 1.00 0.00 C ATOM 0 H THR B 30 -2.916 7.216 5.614 1.00 0.00 H new ATOM 0 HA THR B 30 -1.537 4.610 5.896 1.00 0.00 H new ATOM 0 HB THR B 30 -3.721 3.779 6.526 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.672 6.481 6.269 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.036 5.041 8.641 1.00 0.00 H new ATOM 0 HG22 THR B 30 -2.313 4.758 8.299 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.029 6.359 7.996 1.00 0.00 H new ATOM 1658 N PRO B 31 -2.969 3.513 3.831 1.00 0.00 N ATOM 1659 CA PRO B 31 -3.233 3.056 2.452 1.00 0.00 C ATOM 1660 C PRO B 31 -4.512 3.645 1.847 1.00 0.00 C ATOM 1661 O PRO B 31 -4.754 3.516 0.647 1.00 0.00 O ATOM 1662 CB PRO B 31 -3.367 1.536 2.592 1.00 0.00 C ATOM 1663 CG PRO B 31 -3.693 1.311 4.026 1.00 0.00 C ATOM 1664 CD PRO B 31 -2.976 2.390 4.783 1.00 0.00 C ATOM 0 HA PRO B 31 -2.438 3.375 1.778 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -4.151 1.147 1.943 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -2.443 1.030 2.313 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -4.769 1.363 4.195 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -3.367 0.323 4.351 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -3.494 2.647 5.707 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -1.966 2.087 5.058 1.00 0.00 H new ATOM 1672 N VAL B 32 -5.323 4.289 2.672 1.00 0.00 N ATOM 1673 CA VAL B 32 -6.560 4.899 2.201 1.00 0.00 C ATOM 1674 C VAL B 32 -6.410 6.413 2.093 1.00 0.00 C ATOM 1675 O VAL B 32 -7.397 7.142 1.950 1.00 0.00 O ATOM 1676 CB VAL B 32 -7.751 4.557 3.123 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -8.050 3.067 3.078 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -7.474 5.000 4.552 1.00 0.00 C ATOM 0 H VAL B 32 -5.148 4.404 3.670 1.00 0.00 H new ATOM 0 HA VAL B 32 -6.765 4.488 1.212 1.00 0.00 H new ATOM 0 HB VAL B 32 -8.626 5.098 2.761 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -8.892 2.845 3.734 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -8.298 2.776 2.057 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -7.174 2.510 3.411 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -8.327 4.749 5.183 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -6.585 4.492 4.925 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -7.312 6.078 4.574 1.00 0.00 H new ATOM 1688 N ASP B 33 -5.170 6.879 2.150 1.00 0.00 N ATOM 1689 CA ASP B 33 -4.883 8.303 2.059 1.00 0.00 C ATOM 1690 C ASP B 33 -4.138 8.622 0.775 1.00 0.00 C ATOM 1691 O ASP B 33 -3.425 7.779 0.227 1.00 0.00 O ATOM 1692 CB ASP B 33 -4.057 8.781 3.254 1.00 0.00 C ATOM 1693 CG ASP B 33 -4.836 8.766 4.548 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -5.810 9.537 4.668 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -4.469 7.992 5.458 1.00 0.00 O ATOM 0 H ASP B 33 -4.345 6.289 2.259 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.839 8.826 2.061 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -3.176 8.147 3.358 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.700 9.793 3.062 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.309 9.843 0.300 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.608 10.307 -0.883 1.00 0.00 C ATOM 1702 C ASP B 34 -2.378 11.089 -0.476 1.00 0.00 C ATOM 1703 O ASP B 34 -2.463 12.057 0.287 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.510 11.173 -1.762 1.00 0.00 C ATOM 1705 CG ASP B 34 -5.591 10.369 -2.447 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -5.280 9.662 -3.425 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -6.761 10.445 -2.014 1.00 0.00 O ATOM 0 H ASP B 34 -4.931 10.534 0.719 1.00 0.00 H new ATOM 0 HA ASP B 34 -3.310 9.434 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.970 11.950 -1.151 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.904 11.677 -2.515 1.00 0.00 H new ATOM 1712 N TYR B 35 -1.234 10.667 -0.976 1.00 0.00 N ATOM 1713 CA TYR B 35 0.020 11.296 -0.624 1.00 0.00 C ATOM 1714 C TYR B 35 0.947 11.341 -1.825 1.00 0.00 C ATOM 1715 O TYR B 35 0.780 10.586 -2.784 1.00 0.00 O ATOM 1716 CB TYR B 35 0.696 10.537 0.522 1.00 0.00 C ATOM 1717 CG TYR B 35 1.217 9.171 0.126 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.366 8.077 0.031 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.563 8.979 -0.153 1.00 0.00 C ATOM 1720 CE1 TYR B 35 0.843 6.833 -0.330 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.048 7.743 -0.514 1.00 0.00 C ATOM 1722 CZ TYR B 35 2.185 6.672 -0.603 1.00 0.00 C ATOM 1723 OH TYR B 35 2.665 5.440 -0.963 1.00 0.00 O ATOM 0 H TYR B 35 -1.148 9.888 -1.629 1.00 0.00 H new ATOM 0 HA TYR B 35 -0.189 12.315 -0.300 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.524 11.135 0.903 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.016 10.421 1.339 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.686 8.202 0.243 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.243 9.816 -0.085 1.00 0.00 H new ATOM 0 HE1 TYR B 35 0.170 5.991 -0.398 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.099 7.613 -0.726 1.00 0.00 H new ATOM 0 HH TYR B 35 3.630 5.499 -1.122 1.00 0.00 H new ATOM 1733 N VAL B 36 1.917 12.226 -1.760 1.00 0.00 N ATOM 1734 CA VAL B 36 2.933 12.335 -2.787 1.00 0.00 C ATOM 1735 C VAL B 36 4.301 12.334 -2.122 1.00 0.00 C ATOM 1736 O VAL B 36 4.454 12.850 -1.016 1.00 0.00 O ATOM 1737 CB VAL B 36 2.725 13.609 -3.640 1.00 0.00 C ATOM 1738 CG1 VAL B 36 3.903 13.875 -4.566 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.442 13.481 -4.446 1.00 0.00 C ATOM 0 H VAL B 36 2.025 12.891 -0.994 1.00 0.00 H new ATOM 0 HA VAL B 36 2.861 11.484 -3.464 1.00 0.00 H new ATOM 0 HB VAL B 36 2.650 14.458 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL B 36 3.714 14.779 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL B 36 4.809 14.007 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.032 13.030 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.298 14.380 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.510 12.614 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.597 13.358 -3.768 1.00 0.00 H new ATOM 1749 N ILE B 37 5.270 11.701 -2.761 1.00 0.00 N ATOM 1750 CA ILE B 37 6.600 11.599 -2.196 1.00 0.00 C ATOM 1751 C ILE B 37 7.595 12.449 -2.987 1.00 0.00 C ATOM 1752 O ILE B 37 7.864 12.206 -4.182 1.00 0.00 O ATOM 1753 CB ILE B 37 7.072 10.127 -2.102 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.222 9.382 -1.065 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.547 10.052 -1.741 1.00 0.00 C ATOM 1756 CD1 ILE B 37 6.661 7.956 -0.794 1.00 0.00 C ATOM 0 H ILE B 37 5.159 11.251 -3.670 1.00 0.00 H new ATOM 0 HA ILE B 37 6.555 11.988 -1.179 1.00 0.00 H new ATOM 0 HB ILE B 37 6.945 9.653 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.245 9.939 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.186 9.371 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE B 37 8.854 9.008 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.135 10.560 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.711 10.534 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.003 7.508 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE B 37 6.610 7.378 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.685 7.955 -0.421 1.00 0.00 H new ATOM 1768 N ASP B 38 8.125 13.453 -2.298 1.00 0.00 N ATOM 1769 CA ASP B 38 9.066 14.400 -2.879 1.00 0.00 C ATOM 1770 C ASP B 38 10.492 13.964 -2.593 1.00 0.00 C ATOM 1771 O ASP B 38 11.073 14.321 -1.568 1.00 0.00 O ATOM 1772 CB ASP B 38 8.840 15.816 -2.324 1.00 0.00 C ATOM 1773 CG ASP B 38 7.681 16.551 -2.979 1.00 0.00 C ATOM 1774 OD1 ASP B 38 6.668 15.907 -3.313 1.00 0.00 O ATOM 1775 OD2 ASP B 38 7.786 17.790 -3.151 1.00 0.00 O ATOM 0 H ASP B 38 7.912 13.633 -1.317 1.00 0.00 H new ATOM 0 HA ASP B 38 8.900 14.419 -3.956 1.00 0.00 H new ATOM 0 HB2 ASP B 38 8.658 15.752 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.751 16.399 -2.458 1.00 0.00 H new ATOM 1780 N GLY B 39 11.024 13.126 -3.470 1.00 0.00 N ATOM 1781 CA GLY B 39 12.412 12.707 -3.362 1.00 0.00 C ATOM 1782 C GLY B 39 12.634 11.620 -2.327 1.00 0.00 C ATOM 1783 O GLY B 39 13.645 10.924 -2.355 1.00 0.00 O ATOM 0 H GLY B 39 10.518 12.725 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY B 39 12.752 12.348 -4.333 1.00 0.00 H new ATOM 0 HA3 GLY B 39 13.026 13.571 -3.108 1.00 0.00 H new ATOM 1787 N GLY B 40 11.688 11.467 -1.420 1.00 0.00 N ATOM 1788 CA GLY B 40 11.825 10.485 -0.369 1.00 0.00 C ATOM 1789 C GLY B 40 10.959 10.821 0.821 1.00 0.00 C ATOM 1790 O GLY B 40 10.622 9.946 1.618 1.00 0.00 O ATOM 0 H GLY B 40 10.823 12.007 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY B 40 11.553 9.501 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY B 40 12.868 10.428 -0.057 1.00 0.00 H new ATOM 1794 N GLU B 41 10.593 12.089 0.937 1.00 0.00 N ATOM 1795 CA GLU B 41 9.719 12.529 2.007 1.00 0.00 C ATOM 1796 C GLU B 41 8.268 12.446 1.552 1.00 0.00 C ATOM 1797 O GLU B 41 7.954 12.706 0.390 1.00 0.00 O ATOM 1798 CB GLU B 41 10.080 13.953 2.437 1.00 0.00 C ATOM 1799 CG GLU B 41 9.361 14.413 3.694 1.00 0.00 C ATOM 1800 CD GLU B 41 9.948 15.685 4.265 1.00 0.00 C ATOM 1801 OE1 GLU B 41 9.603 16.777 3.778 1.00 0.00 O ATOM 1802 OE2 GLU B 41 10.763 15.598 5.204 1.00 0.00 O ATOM 0 H GLU B 41 10.890 12.830 0.301 1.00 0.00 H new ATOM 0 HA GLU B 41 9.849 11.876 2.870 1.00 0.00 H new ATOM 0 HB2 GLU B 41 11.156 14.011 2.603 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.845 14.639 1.623 1.00 0.00 H new ATOM 0 HG2 GLU B 41 8.307 14.573 3.468 1.00 0.00 H new ATOM 0 HG3 GLU B 41 9.410 13.625 4.445 1.00 0.00 H new ATOM 1809 N ILE B 42 7.400 12.062 2.471 1.00 0.00 N ATOM 1810 CA ILE B 42 5.988 11.869 2.187 1.00 0.00 C ATOM 1811 C ILE B 42 5.214 13.134 2.531 1.00 0.00 C ATOM 1812 O ILE B 42 5.449 13.735 3.569 1.00 0.00 O ATOM 1813 CB ILE B 42 5.436 10.686 3.019 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.268 9.428 2.760 1.00 0.00 C ATOM 1815 CG2 ILE B 42 3.966 10.426 2.711 1.00 0.00 C ATOM 1816 CD1 ILE B 42 5.892 8.253 3.636 1.00 0.00 C ATOM 0 H ILE B 42 7.656 11.874 3.440 1.00 0.00 H new ATOM 0 HA ILE B 42 5.870 11.648 1.126 1.00 0.00 H new ATOM 0 HB ILE B 42 5.510 10.951 4.074 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.157 9.140 1.715 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.321 9.662 2.916 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.611 9.589 3.312 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.382 11.316 2.946 1.00 0.00 H new ATOM 0 HG23 ILE B 42 3.853 10.187 1.654 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.526 7.400 3.393 1.00 0.00 H new ATOM 0 HD12 ILE B 42 6.031 8.521 4.683 1.00 0.00 H new ATOM 0 HD13 ILE B 42 4.848 7.990 3.464 1.00 0.00 H new ATOM 1828 N ILE B 43 4.323 13.557 1.650 1.00 0.00 N ATOM 1829 CA ILE B 43 3.482 14.713 1.926 1.00 0.00 C ATOM 1830 C ILE B 43 2.019 14.361 1.703 1.00 0.00 C ATOM 1831 O ILE B 43 1.660 13.818 0.652 1.00 0.00 O ATOM 1832 CB ILE B 43 3.831 15.940 1.044 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.322 16.289 1.122 1.00 0.00 C ATOM 1834 CG2 ILE B 43 3.001 17.145 1.461 1.00 0.00 C ATOM 1835 CD1 ILE B 43 6.188 15.492 0.172 1.00 0.00 C ATOM 0 H ILE B 43 4.163 13.121 0.742 1.00 0.00 H new ATOM 0 HA ILE B 43 3.665 14.982 2.966 1.00 0.00 H new ATOM 0 HB ILE B 43 3.598 15.676 0.012 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.448 17.351 0.910 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.671 16.124 2.141 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.257 17.998 0.833 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.942 16.915 1.346 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.209 17.387 2.503 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.229 15.796 0.286 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.093 14.430 0.397 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.867 15.675 -0.853 1.00 0.00 H new ATOM 1847 N LEU B 44 1.184 14.642 2.697 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.255 14.475 2.552 1.00 0.00 C ATOM 1849 C LEU B 44 -0.750 15.401 1.440 1.00 0.00 C ATOM 1850 O LEU B 44 -0.333 16.558 1.357 1.00 0.00 O ATOM 1851 CB LEU B 44 -0.957 14.791 3.881 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.244 13.999 4.165 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.659 14.180 5.618 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -3.377 14.427 3.241 1.00 0.00 C ATOM 0 H LEU B 44 1.480 14.986 3.611 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.486 13.443 2.287 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.254 14.608 4.694 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -1.196 15.854 3.900 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.037 12.945 3.977 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.571 13.615 5.809 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.865 13.818 6.271 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -2.838 15.237 5.816 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.271 13.847 3.469 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.585 15.487 3.387 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.087 14.254 2.205 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.638 14.899 0.589 1.00 0.00 N ATOM 1867 CA ARG B 45 -2.070 15.633 -0.604 1.00 0.00 C ATOM 1868 C ARG B 45 -2.896 16.877 -0.265 1.00 0.00 C ATOM 1869 O ARG B 45 -3.322 17.608 -1.157 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.856 14.703 -1.527 1.00 0.00 C ATOM 1871 CG ARG B 45 -2.290 14.630 -2.938 1.00 0.00 C ATOM 1872 CD ARG B 45 -2.627 15.873 -3.746 1.00 0.00 C ATOM 1873 NE ARG B 45 -4.035 15.899 -4.129 1.00 0.00 N ATOM 1874 CZ ARG B 45 -4.677 16.976 -4.583 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -4.083 18.162 -4.587 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -5.929 16.871 -5.005 1.00 0.00 N ATOM 0 H ARG B 45 -2.076 13.985 0.700 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.173 15.984 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -2.868 13.702 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.891 15.042 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.208 14.510 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.686 13.749 -3.444 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.392 16.762 -3.162 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -2.005 15.906 -4.641 1.00 0.00 H new ATOM 0 HE ARG B 45 -4.566 15.032 -4.043 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -3.128 18.255 -4.241 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.581 18.981 -4.936 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -6.401 15.967 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -6.421 17.694 -5.352 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.108 17.129 1.019 1.00 0.00 N ATOM 1891 CA GLU B 46 -3.816 18.328 1.447 1.00 0.00 C ATOM 1892 C GLU B 46 -2.818 19.452 1.733 1.00 0.00 C ATOM 1893 O GLU B 46 -3.186 20.617 1.859 1.00 0.00 O ATOM 1894 CB GLU B 46 -4.675 18.031 2.681 1.00 0.00 C ATOM 1895 CG GLU B 46 -5.673 19.131 3.010 1.00 0.00 C ATOM 1896 CD GLU B 46 -6.612 18.754 4.136 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -7.604 18.040 3.874 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -6.367 19.169 5.289 1.00 0.00 O ATOM 0 H GLU B 46 -2.802 16.523 1.780 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.479 18.652 0.645 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.216 17.098 2.521 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -4.021 17.877 3.539 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -5.131 20.037 3.283 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.256 19.364 2.119 1.00 0.00 H new ATOM 1905 N ASN B 47 -1.543 19.096 1.808 1.00 0.00 N ATOM 1906 CA ASN B 47 -0.482 20.078 2.036 1.00 0.00 C ATOM 1907 C ASN B 47 0.425 20.164 0.809 1.00 0.00 C ATOM 1908 O ASN B 47 1.280 21.046 0.700 1.00 0.00 O ATOM 1909 CB ASN B 47 0.332 19.681 3.279 1.00 0.00 C ATOM 1910 CG ASN B 47 1.407 20.691 3.649 1.00 0.00 C ATOM 1911 OD1 ASN B 47 2.553 20.587 3.211 1.00 0.00 O ATOM 1912 ND2 ASN B 47 1.051 21.671 4.469 1.00 0.00 N ATOM 0 H ASN B 47 -1.214 18.135 1.715 1.00 0.00 H new ATOM 0 HA ASN B 47 -0.929 21.058 2.205 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -0.346 19.558 4.124 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.800 18.712 3.103 1.00 0.00 H new ATOM 0 HD21 ASN B 47 1.736 22.370 4.756 1.00 0.00 H new ATOM 0 HD22 ASN B 47 0.092 21.726 4.812 1.00 0.00 H new ATOM 1919 N LEU B 48 0.186 19.264 -0.138 1.00 0.00 N ATOM 1920 CA LEU B 48 1.071 19.078 -1.281 1.00 0.00 C ATOM 1921 C LEU B 48 1.274 20.354 -2.094 1.00 0.00 C ATOM 1922 O LEU B 48 2.400 20.669 -2.469 1.00 0.00 O ATOM 1923 CB LEU B 48 0.541 17.978 -2.199 1.00 0.00 C ATOM 1924 CG LEU B 48 1.435 17.689 -3.404 1.00 0.00 C ATOM 1925 CD1 LEU B 48 2.757 17.083 -2.957 1.00 0.00 C ATOM 1926 CD2 LEU B 48 0.733 16.776 -4.390 1.00 0.00 C ATOM 0 H LEU B 48 -0.624 18.645 -0.135 1.00 0.00 H new ATOM 0 HA LEU B 48 2.039 18.791 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.422 17.062 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.450 18.262 -2.554 1.00 0.00 H new ATOM 0 HG LEU B 48 1.644 18.633 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.380 16.884 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.271 17.780 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.568 16.150 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.389 16.585 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.487 15.833 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.183 17.253 -4.739 1.00 0.00 H new ATOM 1938 N GLU B 49 0.199 21.089 -2.362 1.00 0.00 N ATOM 1939 CA GLU B 49 0.277 22.246 -3.249 1.00 0.00 C ATOM 1940 C GLU B 49 1.259 23.282 -2.710 1.00 0.00 C ATOM 1941 O GLU B 49 2.042 23.867 -3.467 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.106 22.871 -3.459 1.00 0.00 C ATOM 1943 CG GLU B 49 -1.118 23.991 -4.488 1.00 0.00 C ATOM 1944 CD GLU B 49 -2.513 24.327 -4.972 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -3.043 23.579 -5.821 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -3.083 25.339 -4.514 1.00 0.00 O ATOM 0 H GLU B 49 -0.730 20.907 -1.981 1.00 0.00 H new ATOM 0 HA GLU B 49 0.644 21.901 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -1.803 22.094 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -1.468 23.259 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -0.664 24.882 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -0.502 23.702 -5.340 1.00 0.00 H new ATOM 1953 N ARG B 50 1.239 23.495 -1.401 1.00 0.00 N ATOM 1954 CA ARG B 50 2.177 24.418 -0.788 1.00 0.00 C ATOM 1955 C ARG B 50 3.586 23.845 -0.839 1.00 0.00 C ATOM 1956 O ARG B 50 4.542 24.550 -1.161 1.00 0.00 O ATOM 1957 CB ARG B 50 1.813 24.725 0.664 1.00 0.00 C ATOM 1958 CG ARG B 50 2.842 25.629 1.321 1.00 0.00 C ATOM 1959 CD ARG B 50 2.629 25.783 2.814 1.00 0.00 C ATOM 1960 NE ARG B 50 3.766 26.469 3.423 1.00 0.00 N ATOM 1961 CZ ARG B 50 3.766 27.022 4.629 1.00 0.00 C ATOM 1962 NH1 ARG B 50 2.684 26.974 5.398 1.00 0.00 N ATOM 1963 NH2 ARG B 50 4.862 27.621 5.067 1.00 0.00 N ATOM 0 H ARG B 50 0.592 23.047 -0.753 1.00 0.00 H new ATOM 0 HA ARG B 50 2.129 25.348 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG B 50 0.833 25.201 0.701 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.736 23.794 1.225 1.00 0.00 H new ATOM 0 HG2 ARG B 50 3.839 25.226 1.142 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.806 26.612 0.851 1.00 0.00 H new ATOM 0 HD2 ARG B 50 1.714 26.345 3.001 1.00 0.00 H new ATOM 0 HD3 ARG B 50 2.500 24.803 3.272 1.00 0.00 H new ATOM 0 HE ARG B 50 4.627 26.527 2.879 1.00 0.00 H new ATOM 0 HH11 ARG B 50 1.841 26.508 5.063 1.00 0.00 H new ATOM 0 HH12 ARG B 50 2.697 27.403 6.323 1.00 0.00 H new ATOM 0 HH21 ARG B 50 5.695 27.654 4.479 1.00 0.00 H new ATOM 0 HH22 ARG B 50 4.874 28.050 5.992 1.00 0.00 H new ATOM 1977 N TYR B 51 3.702 22.558 -0.535 1.00 0.00 N ATOM 1978 CA TYR B 51 4.997 21.901 -0.493 1.00 0.00 C ATOM 1979 C TYR B 51 5.657 21.919 -1.869 1.00 0.00 C ATOM 1980 O TYR B 51 6.869 22.067 -1.976 1.00 0.00 O ATOM 1981 CB TYR B 51 4.856 20.465 0.012 1.00 0.00 C ATOM 1982 CG TYR B 51 6.167 19.852 0.451 1.00 0.00 C ATOM 1983 CD1 TYR B 51 6.613 19.986 1.762 1.00 0.00 C ATOM 1984 CD2 TYR B 51 6.965 19.149 -0.442 1.00 0.00 C ATOM 1985 CE1 TYR B 51 7.814 19.437 2.165 1.00 0.00 C ATOM 1986 CE2 TYR B 51 8.166 18.596 -0.043 1.00 0.00 C ATOM 1987 CZ TYR B 51 8.585 18.744 1.259 1.00 0.00 C ATOM 1988 OH TYR B 51 9.783 18.198 1.658 1.00 0.00 O ATOM 0 H TYR B 51 2.913 21.951 -0.314 1.00 0.00 H new ATOM 0 HA TYR B 51 5.634 22.450 0.200 1.00 0.00 H new ATOM 0 HB2 TYR B 51 4.157 20.449 0.849 1.00 0.00 H new ATOM 0 HB3 TYR B 51 4.422 19.851 -0.777 1.00 0.00 H new ATOM 0 HD1 TYR B 51 6.010 20.528 2.476 1.00 0.00 H new ATOM 0 HD2 TYR B 51 6.641 19.033 -1.466 1.00 0.00 H new ATOM 0 HE1 TYR B 51 8.147 19.551 3.186 1.00 0.00 H new ATOM 0 HE2 TYR B 51 8.773 18.050 -0.750 1.00 0.00 H new ATOM 0 HH TYR B 51 9.616 17.478 2.302 1.00 0.00 H new ATOM 1998 N LEU B 52 4.856 21.779 -2.918 1.00 0.00 N ATOM 1999 CA LEU B 52 5.368 21.841 -4.280 1.00 0.00 C ATOM 2000 C LEU B 52 5.790 23.262 -4.632 1.00 0.00 C ATOM 2001 O LEU B 52 6.704 23.467 -5.421 1.00 0.00 O ATOM 2002 CB LEU B 52 4.324 21.346 -5.284 1.00 0.00 C ATOM 2003 CG LEU B 52 3.973 19.858 -5.193 1.00 0.00 C ATOM 2004 CD1 LEU B 52 2.993 19.481 -6.293 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.227 19.002 -5.283 1.00 0.00 C ATOM 0 H LEU B 52 3.850 21.622 -2.851 1.00 0.00 H new ATOM 0 HA LEU B 52 6.239 21.188 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.411 21.925 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.686 21.555 -6.291 1.00 0.00 H new ATOM 0 HG LEU B 52 3.503 19.673 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU B 52 2.751 18.421 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.082 20.069 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.442 19.682 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU B 52 4.954 17.949 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU B 52 5.727 19.188 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.900 19.255 -4.464 1.00 0.00 H new ATOM 2017 N ARG B 53 5.121 24.244 -4.046 1.00 0.00 N ATOM 2018 CA ARG B 53 5.501 25.637 -4.244 1.00 0.00 C ATOM 2019 C ARG B 53 6.881 25.909 -3.642 1.00 0.00 C ATOM 2020 O ARG B 53 7.633 26.752 -4.132 1.00 0.00 O ATOM 2021 CB ARG B 53 4.448 26.565 -3.626 1.00 0.00 C ATOM 2022 CG ARG B 53 4.816 28.042 -3.662 1.00 0.00 C ATOM 2023 CD ARG B 53 5.254 28.546 -2.294 1.00 0.00 C ATOM 2024 NE ARG B 53 4.140 28.584 -1.344 1.00 0.00 N ATOM 2025 CZ ARG B 53 4.207 29.126 -0.128 1.00 0.00 C ATOM 2026 NH1 ARG B 53 5.355 29.607 0.332 1.00 0.00 N ATOM 2027 NH2 ARG B 53 3.116 29.174 0.632 1.00 0.00 N ATOM 0 H ARG B 53 4.317 24.105 -3.433 1.00 0.00 H new ATOM 0 HA ARG B 53 5.553 25.836 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG B 53 3.504 26.425 -4.152 1.00 0.00 H new ATOM 0 HB3 ARG B 53 4.283 26.269 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG B 53 5.619 28.200 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG B 53 3.960 28.622 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG B 53 6.042 27.901 -1.904 1.00 0.00 H new ATOM 0 HD3 ARG B 53 5.680 29.544 -2.394 1.00 0.00 H new ATOM 0 HE ARG B 53 3.254 28.168 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG B 53 6.194 29.564 -0.246 1.00 0.00 H new ATOM 0 HH12 ARG B 53 5.398 30.020 1.264 1.00 0.00 H new ATOM 0 HH21 ARG B 53 2.235 28.797 0.283 1.00 0.00 H new ATOM 0 HH22 ARG B 53 3.161 29.587 1.563 1.00 0.00 H new ATOM 2041 N GLU B 54 7.207 25.182 -2.579 1.00 0.00 N ATOM 2042 CA GLU B 54 8.477 25.369 -1.889 1.00 0.00 C ATOM 2043 C GLU B 54 9.548 24.400 -2.400 1.00 0.00 C ATOM 2044 O GLU B 54 10.666 24.813 -2.717 1.00 0.00 O ATOM 2045 CB GLU B 54 8.276 25.191 -0.382 1.00 0.00 C ATOM 2046 CG GLU B 54 7.321 26.211 0.215 1.00 0.00 C ATOM 2047 CD GLU B 54 7.027 25.958 1.678 1.00 0.00 C ATOM 2048 OE1 GLU B 54 7.735 25.145 2.301 1.00 0.00 O ATOM 2049 OE2 GLU B 54 6.080 26.575 2.208 1.00 0.00 O ATOM 0 H GLU B 54 6.610 24.459 -2.177 1.00 0.00 H new ATOM 0 HA GLU B 54 8.827 26.381 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU B 54 7.895 24.188 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU B 54 9.241 25.268 0.119 1.00 0.00 H new ATOM 0 HG2 GLU B 54 7.746 27.208 0.102 1.00 0.00 H new ATOM 0 HG3 GLU B 54 6.386 26.198 -0.346 1.00 0.00 H new ATOM 2056 N GLN B 55 9.212 23.120 -2.473 1.00 0.00 N ATOM 2057 CA GLN B 55 10.176 22.090 -2.843 1.00 0.00 C ATOM 2058 C GLN B 55 9.990 21.629 -4.287 1.00 0.00 C ATOM 2059 O GLN B 55 10.949 21.593 -5.061 1.00 0.00 O ATOM 2060 CB GLN B 55 10.060 20.900 -1.893 1.00 0.00 C ATOM 2061 CG GLN B 55 11.185 19.899 -2.055 1.00 0.00 C ATOM 2062 CD GLN B 55 12.547 20.524 -1.817 1.00 0.00 C ATOM 2063 OE1 GLN B 55 13.053 20.542 -0.695 1.00 0.00 O ATOM 2064 NE2 GLN B 55 13.144 21.049 -2.875 1.00 0.00 N ATOM 0 H GLN B 55 8.275 22.767 -2.280 1.00 0.00 H new ATOM 0 HA GLN B 55 11.172 22.525 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN B 55 10.050 21.263 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.108 20.398 -2.063 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.039 19.074 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.151 19.477 -3.059 1.00 0.00 H new ATOM 0 HE21 GLN B 55 12.690 21.013 -3.787 1.00 0.00 H new ATOM 0 HE22 GLN B 55 14.059 21.490 -2.778 1.00 0.00 H new ATOM 2073 N LEU B 56 8.760 21.239 -4.617 1.00 0.00 N ATOM 2074 CA LEU B 56 8.377 20.846 -5.979 1.00 0.00 C ATOM 2075 C LEU B 56 8.966 19.489 -6.376 1.00 0.00 C ATOM 2076 O LEU B 56 9.547 19.345 -7.450 1.00 0.00 O ATOM 2077 CB LEU B 56 8.787 21.922 -7.001 1.00 0.00 C ATOM 2078 CG LEU B 56 8.201 21.751 -8.409 1.00 0.00 C ATOM 2079 CD1 LEU B 56 6.686 21.874 -8.377 1.00 0.00 C ATOM 2080 CD2 LEU B 56 8.803 22.774 -9.363 1.00 0.00 C ATOM 0 H LEU B 56 7.994 21.185 -3.946 1.00 0.00 H new ATOM 0 HA LEU B 56 7.291 20.750 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.486 22.897 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU B 56 9.874 21.931 -7.077 1.00 0.00 H new ATOM 0 HG LEU B 56 8.454 20.754 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU B 56 6.290 21.750 -9.385 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.272 21.103 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.409 22.857 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU B 56 8.377 22.639 -10.357 1.00 0.00 H new ATOM 0 HD22 LEU B 56 8.580 23.780 -9.006 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.883 22.636 -9.410 1.00 0.00 H new ATOM 2092 N GLY B 57 8.828 18.501 -5.504 1.00 0.00 N ATOM 2093 CA GLY B 57 9.154 17.129 -5.869 1.00 0.00 C ATOM 2094 C GLY B 57 10.630 16.793 -5.773 1.00 0.00 C ATOM 2095 O GLY B 57 10.995 15.648 -5.494 1.00 0.00 O ATOM 0 H GLY B 57 8.496 18.621 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY B 57 8.596 16.451 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY B 57 8.817 16.947 -6.890 1.00 0.00 H new ATOM 2099 N PHE B 58 11.482 17.776 -6.009 1.00 0.00 N ATOM 2100 CA PHE B 58 12.916 17.555 -6.011 1.00 0.00 C ATOM 2101 C PHE B 58 13.460 17.446 -4.597 1.00 0.00 C ATOM 2102 O PHE B 58 13.302 18.360 -3.799 1.00 0.00 O ATOM 2103 CB PHE B 58 13.639 18.703 -6.724 1.00 0.00 C ATOM 2104 CG PHE B 58 13.210 18.921 -8.147 1.00 0.00 C ATOM 2105 CD1 PHE B 58 13.656 18.081 -9.154 1.00 0.00 C ATOM 2106 CD2 PHE B 58 12.376 19.976 -8.478 1.00 0.00 C ATOM 2107 CE1 PHE B 58 13.274 18.289 -10.466 1.00 0.00 C ATOM 2108 CE2 PHE B 58 11.989 20.188 -9.785 1.00 0.00 C ATOM 2109 CZ PHE B 58 12.439 19.342 -10.783 1.00 0.00 C ATOM 0 H PHE B 58 11.203 18.738 -6.202 1.00 0.00 H new ATOM 0 HA PHE B 58 13.095 16.618 -6.539 1.00 0.00 H new ATOM 0 HB2 PHE B 58 13.475 19.623 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.711 18.507 -6.707 1.00 0.00 H new ATOM 0 HD1 PHE B 58 14.309 17.255 -8.912 1.00 0.00 H new ATOM 0 HD2 PHE B 58 12.024 20.641 -7.703 1.00 0.00 H new ATOM 0 HE1 PHE B 58 13.629 17.628 -11.243 1.00 0.00 H new ATOM 0 HE2 PHE B 58 11.336 21.013 -10.029 1.00 0.00 H new ATOM 0 HZ PHE B 58 12.138 19.505 -11.807 1.00 0.00 H new ATOM 2119 N GLU B 59 14.114 16.337 -4.291 1.00 0.00 N ATOM 2120 CA GLU B 59 14.894 16.253 -3.066 1.00 0.00 C ATOM 2121 C GLU B 59 16.313 16.665 -3.411 1.00 0.00 C ATOM 2122 O GLU B 59 17.077 15.903 -4.009 1.00 0.00 O ATOM 2123 CB GLU B 59 14.844 14.834 -2.486 1.00 0.00 C ATOM 2124 CG GLU B 59 15.832 14.577 -1.353 1.00 0.00 C ATOM 2125 CD GLU B 59 15.607 15.459 -0.142 1.00 0.00 C ATOM 2126 OE1 GLU B 59 16.152 16.583 -0.117 1.00 0.00 O ATOM 2127 OE2 GLU B 59 14.923 15.018 0.808 1.00 0.00 O ATOM 0 H GLU B 59 14.122 15.493 -4.864 1.00 0.00 H new ATOM 0 HA GLU B 59 14.488 16.913 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU B 59 13.835 14.640 -2.122 1.00 0.00 H new ATOM 0 HB3 GLU B 59 15.037 14.121 -3.287 1.00 0.00 H new ATOM 0 HG2 GLU B 59 15.761 13.532 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU B 59 16.845 14.733 -1.723 1.00 0.00 H new ATOM 2134 N PHE B 60 16.645 17.891 -3.052 1.00 0.00 N ATOM 2135 CA PHE B 60 17.850 18.525 -3.547 1.00 0.00 C ATOM 2136 C PHE B 60 18.993 18.357 -2.562 1.00 0.00 C ATOM 2137 O PHE B 60 18.904 18.788 -1.411 1.00 0.00 O ATOM 2138 CB PHE B 60 17.586 20.008 -3.805 1.00 0.00 C ATOM 2139 CG PHE B 60 18.319 20.550 -4.999 1.00 0.00 C ATOM 2140 CD1 PHE B 60 19.616 21.017 -4.887 1.00 0.00 C ATOM 2141 CD2 PHE B 60 17.700 20.591 -6.237 1.00 0.00 C ATOM 2142 CE1 PHE B 60 20.286 21.515 -5.990 1.00 0.00 C ATOM 2143 CE2 PHE B 60 18.362 21.086 -7.343 1.00 0.00 C ATOM 2144 CZ PHE B 60 19.656 21.550 -7.221 1.00 0.00 C ATOM 0 H PHE B 60 16.094 18.469 -2.417 1.00 0.00 H new ATOM 0 HA PHE B 60 18.136 18.044 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE B 60 16.516 20.159 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE B 60 17.874 20.579 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE B 60 20.111 20.993 -3.928 1.00 0.00 H new ATOM 0 HD2 PHE B 60 16.687 20.231 -6.339 1.00 0.00 H new ATOM 0 HE1 PHE B 60 21.299 21.876 -5.890 1.00 0.00 H new ATOM 0 HE2 PHE B 60 17.868 21.110 -8.303 1.00 0.00 H new ATOM 0 HZ PHE B 60 20.175 21.939 -8.084 1.00 0.00 H new ATOM 2154 N LYS B 61 20.058 17.721 -3.015 1.00 0.00 N ATOM 2155 CA LYS B 61 21.242 17.554 -2.198 1.00 0.00 C ATOM 2156 C LYS B 61 22.407 18.303 -2.820 1.00 0.00 C ATOM 2157 O LYS B 61 22.269 18.908 -3.886 1.00 0.00 O ATOM 2158 CB LYS B 61 21.586 16.072 -2.031 1.00 0.00 C ATOM 2159 CG LYS B 61 20.486 15.262 -1.363 1.00 0.00 C ATOM 2160 CD LYS B 61 20.099 15.854 -0.017 1.00 0.00 C ATOM 2161 CE LYS B 61 18.969 15.075 0.632 1.00 0.00 C ATOM 2162 NZ LYS B 61 18.430 15.782 1.825 1.00 0.00 N ATOM 0 H LYS B 61 20.125 17.311 -3.947 1.00 0.00 H new ATOM 0 HA LYS B 61 21.042 17.965 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS B 61 21.796 15.644 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.499 15.984 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.611 15.229 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS B 61 20.821 14.234 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS B 61 20.966 15.856 0.643 1.00 0.00 H new ATOM 0 HD3 LYS B 61 19.797 16.893 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS B 61 18.169 14.921 -0.093 1.00 0.00 H new ATOM 0 HE3 LYS B 61 19.328 14.088 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 18.243 15.093 2.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 19.124 16.482 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 17.545 16.266 1.571 1.00 0.00 H new ATOM 2176 N ASN B 62 23.546 18.264 -2.149 1.00 0.00 N ATOM 2177 CA ASN B 62 24.737 18.957 -2.603 1.00 0.00 C ATOM 2178 C ASN B 62 25.917 18.503 -1.764 1.00 0.00 C ATOM 2179 O ASN B 62 25.735 18.132 -0.603 1.00 0.00 O ATOM 2180 CB ASN B 62 24.544 20.478 -2.481 1.00 0.00 C ATOM 2181 CG ASN B 62 25.686 21.275 -3.084 1.00 0.00 C ATOM 2182 OD1 ASN B 62 26.650 21.622 -2.402 1.00 0.00 O ATOM 2183 ND2 ASN B 62 25.584 21.576 -4.367 1.00 0.00 N ATOM 0 H ASN B 62 23.670 17.752 -1.276 1.00 0.00 H new ATOM 0 HA ASN B 62 24.924 18.722 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN B 62 23.613 20.760 -2.973 1.00 0.00 H new ATOM 0 HB3 ASN B 62 24.441 20.742 -1.428 1.00 0.00 H new ATOM 0 HD21 ASN B 62 26.320 22.114 -4.825 1.00 0.00 H new ATOM 0 HD22 ASN B 62 24.769 21.270 -4.899 1.00 0.00 H new ATOM 2190 N ALA B 63 27.111 18.502 -2.352 1.00 0.00 N ATOM 2191 CA ALA B 63 28.319 18.112 -1.630 1.00 0.00 C ATOM 2192 C ALA B 63 28.523 19.002 -0.410 1.00 0.00 C ATOM 2193 O ALA B 63 28.961 18.542 0.645 1.00 0.00 O ATOM 2194 CB ALA B 63 29.531 18.180 -2.545 1.00 0.00 C ATOM 0 H ALA B 63 27.268 18.766 -3.325 1.00 0.00 H new ATOM 0 HA ALA B 63 28.200 17.083 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA B 63 30.422 17.886 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA B 63 29.389 17.504 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA B 63 29.652 19.199 -2.913 1.00 0.00 H new ATOM 2200 N GLN B 64 28.201 20.284 -0.579 1.00 0.00 N ATOM 2201 CA GLN B 64 28.219 21.258 0.507 1.00 0.00 C ATOM 2202 C GLN B 64 29.624 21.409 1.093 1.00 0.00 C ATOM 2203 O GLN B 64 29.797 21.782 2.255 1.00 0.00 O ATOM 2204 CB GLN B 64 27.204 20.853 1.584 1.00 0.00 C ATOM 2205 CG GLN B 64 26.816 21.981 2.525 1.00 0.00 C ATOM 2206 CD GLN B 64 25.720 21.581 3.491 1.00 0.00 C ATOM 2207 OE1 GLN B 64 25.675 20.307 3.849 1.00 0.00 O flip ATOM 2208 NE2 GLN B 64 24.914 22.412 3.909 1.00 0.00 N flip ATOM 0 H GLN B 64 27.919 20.676 -1.478 1.00 0.00 H new ATOM 0 HA GLN B 64 27.933 22.232 0.109 1.00 0.00 H new ATOM 0 HB2 GLN B 64 26.305 20.475 1.097 1.00 0.00 H new ATOM 0 HB3 GLN B 64 27.619 20.032 2.169 1.00 0.00 H new ATOM 0 HG2 GLN B 64 27.694 22.298 3.088 1.00 0.00 H new ATOM 0 HG3 GLN B 64 26.485 22.839 1.941 1.00 0.00 H new ATOM 0 HE21 GLN B 64 24.982 23.385 3.609 1.00 0.00 H new ATOM 0 HE22 GLN B 64 24.178 22.128 4.555 1.00 0.00 H new ATOM 2217 N LEU B 65 30.634 21.173 0.262 1.00 0.00 N ATOM 2218 CA LEU B 65 32.021 21.339 0.680 1.00 0.00 C ATOM 2219 C LEU B 65 32.441 22.793 0.537 1.00 0.00 C ATOM 2220 O LEU B 65 33.630 23.119 0.556 1.00 0.00 O ATOM 2221 CB LEU B 65 32.958 20.432 -0.121 1.00 0.00 C ATOM 2222 CG LEU B 65 33.544 19.266 0.674 1.00 0.00 C ATOM 2223 CD1 LEU B 65 32.448 18.296 1.083 1.00 0.00 C ATOM 2224 CD2 LEU B 65 34.621 18.555 -0.129 1.00 0.00 C ATOM 0 H LEU B 65 30.518 20.866 -0.704 1.00 0.00 H new ATOM 0 HA LEU B 65 32.094 21.049 1.728 1.00 0.00 H new ATOM 0 HB2 LEU B 65 32.414 20.034 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU B 65 33.777 21.034 -0.515 1.00 0.00 H new ATOM 0 HG LEU B 65 34.004 19.664 1.579 1.00 0.00 H new ATOM 0 HD11 LEU B 65 32.884 17.472 1.648 1.00 0.00 H new ATOM 0 HD12 LEU B 65 31.716 18.814 1.703 1.00 0.00 H new ATOM 0 HD13 LEU B 65 31.957 17.905 0.192 1.00 0.00 H new ATOM 0 HD21 LEU B 65 35.025 17.728 0.456 1.00 0.00 H new ATOM 0 HD22 LEU B 65 34.191 18.170 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU B 65 35.421 19.256 -0.366 1.00 0.00 H new ATOM 2236 N GLU B 66 31.435 23.654 0.399 1.00 0.00 N ATOM 2237 CA GLU B 66 31.616 25.097 0.394 1.00 0.00 C ATOM 2238 C GLU B 66 32.446 25.511 1.607 1.00 0.00 C ATOM 2239 O GLU B 66 33.345 26.353 1.502 1.00 0.00 O ATOM 2240 CB GLU B 66 30.235 25.765 0.416 1.00 0.00 C ATOM 2241 CG GLU B 66 30.252 27.283 0.429 1.00 0.00 C ATOM 2242 CD GLU B 66 28.857 27.867 0.313 1.00 0.00 C ATOM 2243 OE1 GLU B 66 28.066 27.741 1.272 1.00 0.00 O ATOM 2244 OE2 GLU B 66 28.537 28.450 -0.743 1.00 0.00 O ATOM 0 H GLU B 66 30.464 23.363 0.287 1.00 0.00 H new ATOM 0 HA GLU B 66 32.148 25.413 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU B 66 29.674 25.431 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU B 66 29.694 25.416 1.296 1.00 0.00 H new ATOM 0 HG2 GLU B 66 30.716 27.633 1.351 1.00 0.00 H new ATOM 0 HG3 GLU B 66 30.867 27.646 -0.395 1.00 0.00 H new ATOM 2251 N HIS B 67 32.139 24.880 2.748 1.00 0.00 N ATOM 2252 CA HIS B 67 32.910 25.028 3.984 1.00 0.00 C ATOM 2253 C HIS B 67 32.838 26.463 4.517 1.00 0.00 C ATOM 2254 O HIS B 67 32.084 26.752 5.443 1.00 0.00 O ATOM 2255 CB HIS B 67 34.369 24.587 3.746 1.00 0.00 C ATOM 2256 CG HIS B 67 35.222 24.509 4.981 1.00 0.00 C ATOM 2257 ND1 HIS B 67 35.657 25.477 5.822 1.00 0.00 N flip ATOM 2258 CD2 HIS B 67 35.764 23.330 5.451 1.00 0.00 C flip ATOM 2259 CE1 HIS B 67 36.443 24.876 6.768 1.00 0.00 C flip ATOM 2260 NE2 HIS B 67 36.490 23.582 6.523 1.00 0.00 N flip ATOM 0 H HIS B 67 31.343 24.249 2.837 1.00 0.00 H new ATOM 0 HA HIS B 67 32.473 24.384 4.747 1.00 0.00 H new ATOM 0 HB2 HIS B 67 34.363 23.609 3.266 1.00 0.00 H new ATOM 0 HB3 HIS B 67 34.833 25.283 3.046 1.00 0.00 H new ATOM 0 HD2 HIS B 67 35.617 22.355 5.011 1.00 0.00 H new ATOM 0 HE1 HIS B 67 36.943 25.380 7.582 1.00 0.00 H new ATOM 0 HE2 HIS B 67 37.002 22.891 7.071 1.00 0.00 H new ATOM 2269 N HIS B 68 33.616 27.349 3.914 1.00 0.00 N ATOM 2270 CA HIS B 68 33.687 28.742 4.334 1.00 0.00 C ATOM 2271 C HIS B 68 34.399 29.556 3.248 1.00 0.00 C ATOM 2272 O HIS B 68 34.923 30.642 3.494 1.00 0.00 O ATOM 2273 CB HIS B 68 34.422 28.831 5.683 1.00 0.00 C ATOM 2274 CG HIS B 68 34.459 30.199 6.297 1.00 0.00 C ATOM 2275 ND1 HIS B 68 35.562 30.682 6.960 1.00 0.00 N ATOM 2276 CD2 HIS B 68 33.525 31.177 6.359 1.00 0.00 C ATOM 2277 CE1 HIS B 68 35.311 31.897 7.404 1.00 0.00 C ATOM 2278 NE2 HIS B 68 34.083 32.223 7.052 1.00 0.00 N ATOM 0 H HIS B 68 34.216 27.124 3.120 1.00 0.00 H new ATOM 0 HA HIS B 68 32.687 29.153 4.469 1.00 0.00 H new ATOM 0 HB2 HIS B 68 33.945 28.147 6.385 1.00 0.00 H new ATOM 0 HB3 HIS B 68 35.446 28.483 5.545 1.00 0.00 H new ATOM 0 HD2 HIS B 68 32.529 31.141 5.942 1.00 0.00 H new ATOM 0 HE1 HIS B 68 35.995 32.520 7.961 1.00 0.00 H new ATOM 0 HE2 HIS B 68 33.622 33.109 7.261 1.00 0.00 H new ATOM 2287 N HIS B 69 34.394 29.022 2.032 1.00 0.00 N ATOM 2288 CA HIS B 69 35.045 29.682 0.911 1.00 0.00 C ATOM 2289 C HIS B 69 34.068 30.604 0.200 1.00 0.00 C ATOM 2290 O HIS B 69 32.878 30.302 0.089 1.00 0.00 O ATOM 2291 CB HIS B 69 35.617 28.661 -0.076 1.00 0.00 C ATOM 2292 CG HIS B 69 36.789 27.894 0.457 1.00 0.00 C ATOM 2293 ND1 HIS B 69 38.094 28.286 0.263 1.00 0.00 N ATOM 2294 CD2 HIS B 69 36.846 26.746 1.173 1.00 0.00 C ATOM 2295 CE1 HIS B 69 38.904 27.414 0.833 1.00 0.00 C ATOM 2296 NE2 HIS B 69 38.170 26.469 1.394 1.00 0.00 N ATOM 0 H HIS B 69 33.947 28.135 1.799 1.00 0.00 H new ATOM 0 HA HIS B 69 35.871 30.274 1.305 1.00 0.00 H new ATOM 0 HB2 HIS B 69 34.831 27.959 -0.354 1.00 0.00 H new ATOM 0 HB3 HIS B 69 35.918 29.179 -0.987 1.00 0.00 H new ATOM 0 HD2 HIS B 69 36.004 26.158 1.508 1.00 0.00 H new ATOM 0 HE1 HIS B 69 39.983 27.464 0.840 1.00 0.00 H new ATOM 0 HE2 HIS B 69 38.530 25.665 1.908 1.00 0.00 H new ATOM 2305 N HIS B 70 34.573 31.734 -0.265 1.00 0.00 N ATOM 2306 CA HIS B 70 33.750 32.711 -0.957 1.00 0.00 C ATOM 2307 C HIS B 70 33.966 32.599 -2.457 1.00 0.00 C ATOM 2308 O HIS B 70 34.891 33.198 -3.007 1.00 0.00 O ATOM 2309 CB HIS B 70 34.078 34.131 -0.487 1.00 0.00 C ATOM 2310 CG HIS B 70 34.015 34.318 1.000 1.00 0.00 C ATOM 2311 ND1 HIS B 70 32.841 34.535 1.688 1.00 0.00 N ATOM 2312 CD2 HIS B 70 34.997 34.321 1.931 1.00 0.00 C ATOM 2313 CE1 HIS B 70 33.103 34.666 2.976 1.00 0.00 C ATOM 2314 NE2 HIS B 70 34.402 34.538 3.148 1.00 0.00 N ATOM 0 H HIS B 70 35.554 31.998 -0.175 1.00 0.00 H new ATOM 0 HA HIS B 70 32.705 32.506 -0.726 1.00 0.00 H new ATOM 0 HB2 HIS B 70 35.078 34.394 -0.833 1.00 0.00 H new ATOM 0 HB3 HIS B 70 33.384 34.827 -0.959 1.00 0.00 H new ATOM 0 HD2 HIS B 70 36.052 34.179 1.750 1.00 0.00 H new ATOM 0 HE1 HIS B 70 32.376 34.847 3.754 1.00 0.00 H new ATOM 0 HE2 HIS B 70 34.888 34.592 4.043 1.00 0.00 H new ATOM 2323 N HIS B 71 33.127 31.806 -3.103 1.00 0.00 N ATOM 2324 CA HIS B 71 33.249 31.549 -4.530 1.00 0.00 C ATOM 2325 C HIS B 71 31.923 31.823 -5.236 1.00 0.00 C ATOM 2326 O HIS B 71 31.845 32.680 -6.115 1.00 0.00 O ATOM 2327 CB HIS B 71 33.701 30.096 -4.753 1.00 0.00 C ATOM 2328 CG HIS B 71 33.644 29.631 -6.179 1.00 0.00 C ATOM 2329 ND1 HIS B 71 34.515 30.064 -7.153 1.00 0.00 N ATOM 2330 CD2 HIS B 71 32.809 28.757 -6.787 1.00 0.00 C ATOM 2331 CE1 HIS B 71 34.219 29.480 -8.297 1.00 0.00 C ATOM 2332 NE2 HIS B 71 33.187 28.682 -8.102 1.00 0.00 N ATOM 0 H HIS B 71 32.346 31.324 -2.657 1.00 0.00 H new ATOM 0 HA HIS B 71 33.997 32.218 -4.954 1.00 0.00 H new ATOM 0 HB2 HIS B 71 34.724 29.989 -4.391 1.00 0.00 H new ATOM 0 HB3 HIS B 71 33.078 29.439 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS B 71 31.996 28.219 -6.322 1.00 0.00 H new ATOM 0 HE1 HIS B 71 34.734 29.629 -9.235 1.00 0.00 H new ATOM 0 HE2 HIS B 71 32.742 28.103 -8.814 1.00 0.00 H new ATOM 2341 N HIS B 72 30.886 31.101 -4.831 1.00 0.00 N ATOM 2342 CA HIS B 72 29.569 31.231 -5.439 1.00 0.00 C ATOM 2343 C HIS B 72 28.540 30.497 -4.592 1.00 0.00 C ATOM 2344 O HIS B 72 27.890 31.149 -3.751 1.00 0.00 O ATOM 2345 CB HIS B 72 29.574 30.672 -6.869 1.00 0.00 C ATOM 2346 CG HIS B 72 28.276 30.845 -7.600 1.00 0.00 C ATOM 2347 ND1 HIS B 72 27.902 32.027 -8.196 1.00 0.00 N ATOM 2348 CD2 HIS B 72 27.269 29.971 -7.839 1.00 0.00 C ATOM 2349 CE1 HIS B 72 26.725 31.875 -8.768 1.00 0.00 C ATOM 2350 NE2 HIS B 72 26.316 30.637 -8.569 1.00 0.00 N ATOM 2351 OXT HIS B 72 28.400 29.270 -4.758 1.00 0.00 O ATOM 0 H HIS B 72 30.933 30.414 -4.078 1.00 0.00 H new ATOM 0 HA HIS B 72 29.308 32.288 -5.487 1.00 0.00 H new ATOM 0 HB2 HIS B 72 30.366 31.162 -7.436 1.00 0.00 H new ATOM 0 HB3 HIS B 72 29.819 29.610 -6.832 1.00 0.00 H new ATOM 0 HD2 HIS B 72 27.224 28.942 -7.515 1.00 0.00 H new ATOM 0 HE1 HIS B 72 26.185 32.637 -9.310 1.00 0.00 H new ATOM 0 HE2 HIS B 72 25.437 30.240 -8.902 1.00 0.00 H new TER 2360 HIS B 72