USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN :FLIP amide:sc= -0.457 F(o=-1!,f=-0.46) USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc=-0.00078 (180deg=-0.0684) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc=-0.000356 K(o=-0.00036,f=-0.91) USER MOD Single : A 11 MET CE :methyl 142:sc= -0.3 (180deg=-1.71) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 130:sc= -1.24 (180deg=-2.26) USER MOD Single : A 20 THR OG1 : rot -64:sc= 0.449 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 40 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-5.2!) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 1.03 (180deg=0.949) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 125:sc= 0.144 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 50:sc= -2.32! USER MOD Single : A 59 ASN :FLIP amide:sc= 0.762 F(o=-1.3!,f=0.76) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= 1.27 (180deg=1.1) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -0.156 K(o=-0.16,f=-1.3) USER MOD Single : A 74 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-5.1!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.105 F(o=-1.5,f=-0.1) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 78 HIS : no HE2:sc= 0.016 K(o=0.016,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.769 -5.561 -3.067 1.00 10.23 N ATOM 2 CA MET A 1 11.594 -5.003 -1.697 1.00 51.43 C ATOM 3 C MET A 1 10.332 -5.574 -1.034 1.00 4.23 C ATOM 4 O MET A 1 9.214 -5.199 -1.394 1.00 52.45 O ATOM 5 CB MET A 1 11.487 -3.472 -1.750 1.00 40.14 C ATOM 6 CG MET A 1 12.704 -2.784 -2.351 1.00 14.10 C ATOM 7 SD MET A 1 14.227 -3.149 -1.457 1.00 5.24 S ATOM 8 CE MET A 1 15.393 -2.105 -2.331 1.00 0.53 C ATOM 0 H1 MET A 1 12.693 -5.270 -3.445 1.00 10.23 H new ATOM 0 H2 MET A 1 11.722 -6.599 -3.028 1.00 10.23 H new ATOM 0 H3 MET A 1 11.014 -5.204 -3.686 1.00 10.23 H new ATOM 0 HA MET A 1 12.467 -5.285 -1.108 1.00 51.43 H new ATOM 0 HB2 MET A 1 10.606 -3.200 -2.331 1.00 40.14 H new ATOM 0 HB3 MET A 1 11.332 -3.094 -0.739 1.00 40.14 H new ATOM 0 HG2 MET A 1 12.815 -3.095 -3.390 1.00 14.10 H new ATOM 0 HG3 MET A 1 12.541 -1.706 -2.356 1.00 14.10 H new ATOM 0 HE1 MET A 1 16.384 -2.221 -1.893 1.00 0.53 H new ATOM 0 HE2 MET A 1 15.425 -2.395 -3.381 1.00 0.53 H new ATOM 0 HE3 MET A 1 15.080 -1.064 -2.251 1.00 0.53 H new ATOM 20 N ALA A 2 10.511 -6.473 -0.065 1.00 4.15 N ATOM 21 CA ALA A 2 9.376 -7.115 0.616 1.00 1.24 C ATOM 22 C ALA A 2 9.815 -7.901 1.862 1.00 64.12 C ATOM 23 O ALA A 2 10.873 -8.536 1.872 1.00 63.01 O ATOM 24 CB ALA A 2 8.631 -8.046 -0.342 1.00 53.40 C ATOM 0 H ALA A 2 11.427 -6.775 0.268 1.00 4.15 H new ATOM 0 HA ALA A 2 8.710 -6.316 0.942 1.00 1.24 H new ATOM 0 HB1 ALA A 2 7.795 -8.512 0.180 1.00 53.40 H new ATOM 0 HB2 ALA A 2 8.256 -7.472 -1.189 1.00 53.40 H new ATOM 0 HB3 ALA A 2 9.311 -8.819 -0.700 1.00 53.40 H new ATOM 30 N GLN A 3 8.999 -7.849 2.915 1.00 12.24 N ATOM 31 CA GLN A 3 9.229 -8.660 4.117 1.00 44.11 C ATOM 32 C GLN A 3 8.344 -9.914 4.114 1.00 15.14 C ATOM 33 O GLN A 3 7.121 -9.830 4.244 1.00 53.23 O ATOM 34 CB GLN A 3 8.966 -7.842 5.389 1.00 42.30 C ATOM 35 CG GLN A 3 10.008 -6.763 5.658 1.00 63.32 C ATOM 36 CD GLN A 3 9.815 -6.091 7.005 1.00 4.14 C ATOM 37 OE1 GLN A 3 9.141 -5.071 7.119 1.00 62.22 O ATOM 38 NE2 GLN A 3 10.380 -6.674 8.045 1.00 35.22 N ATOM 0 H GLN A 3 8.172 -7.254 2.963 1.00 12.24 H new ATOM 0 HA GLN A 3 10.274 -8.970 4.108 1.00 44.11 H new ATOM 0 HB2 GLN A 3 7.985 -7.374 5.311 1.00 42.30 H new ATOM 0 HB3 GLN A 3 8.930 -8.519 6.243 1.00 42.30 H new ATOM 0 HG2 GLN A 3 11.003 -7.205 5.616 1.00 63.32 H new ATOM 0 HG3 GLN A 3 9.959 -6.011 4.870 1.00 63.32 H new ATOM 0 HE21 GLN A 3 10.934 -7.521 7.916 1.00 35.22 H new ATOM 0 HE22 GLN A 3 10.263 -6.278 8.978 1.00 35.22 H new ATOM 47 N ILE A 4 8.971 -11.078 3.961 1.00 33.22 N ATOM 48 CA ILE A 4 8.252 -12.352 3.959 1.00 12.52 C ATOM 49 C ILE A 4 7.740 -12.691 5.371 1.00 71.40 C ATOM 50 O ILE A 4 8.467 -13.255 6.191 1.00 52.20 O ATOM 51 CB ILE A 4 9.157 -13.500 3.433 1.00 74.41 C ATOM 52 CG1 ILE A 4 9.728 -13.147 2.047 1.00 62.24 C ATOM 53 CG2 ILE A 4 8.388 -14.819 3.375 1.00 24.25 C ATOM 54 CD1 ILE A 4 8.670 -12.884 0.994 1.00 52.31 C ATOM 0 H ILE A 4 9.979 -11.166 3.836 1.00 33.22 H new ATOM 0 HA ILE A 4 7.397 -12.250 3.290 1.00 12.52 H new ATOM 0 HB ILE A 4 9.987 -13.622 4.129 1.00 74.41 H new ATOM 0 HG12 ILE A 4 10.361 -12.264 2.140 1.00 62.24 H new ATOM 0 HG13 ILE A 4 10.367 -13.963 1.710 1.00 62.24 H new ATOM 0 HG21 ILE A 4 9.044 -15.606 3.004 1.00 24.25 H new ATOM 0 HG22 ILE A 4 8.037 -15.080 4.373 1.00 24.25 H new ATOM 0 HG23 ILE A 4 7.534 -14.713 2.706 1.00 24.25 H new ATOM 0 HD11 ILE A 4 9.152 -12.642 0.047 1.00 52.31 H new ATOM 0 HD12 ILE A 4 8.051 -13.773 0.870 1.00 52.31 H new ATOM 0 HD13 ILE A 4 8.045 -12.048 1.307 1.00 52.31 H new ATOM 66 N ILE A 5 6.493 -12.314 5.657 1.00 12.03 N ATOM 67 CA ILE A 5 5.900 -12.523 6.984 1.00 43.44 C ATOM 68 C ILE A 5 5.084 -13.827 7.046 1.00 15.45 C ATOM 69 O ILE A 5 3.960 -13.897 6.545 1.00 24.31 O ATOM 70 CB ILE A 5 4.991 -11.330 7.386 1.00 42.22 C ATOM 71 CG1 ILE A 5 5.772 -10.003 7.332 1.00 65.00 C ATOM 72 CG2 ILE A 5 4.399 -11.548 8.779 1.00 10.11 C ATOM 73 CD1 ILE A 5 6.964 -9.945 8.267 1.00 35.42 C ATOM 0 H ILE A 5 5.871 -11.861 4.988 1.00 12.03 H new ATOM 0 HA ILE A 5 6.729 -12.597 7.688 1.00 43.44 H new ATOM 0 HB ILE A 5 4.172 -11.272 6.669 1.00 42.22 H new ATOM 0 HG12 ILE A 5 6.117 -9.839 6.311 1.00 65.00 H new ATOM 0 HG13 ILE A 5 5.094 -9.185 7.575 1.00 65.00 H new ATOM 0 HG21 ILE A 5 3.765 -10.701 9.042 1.00 10.11 H new ATOM 0 HG22 ILE A 5 3.804 -12.461 8.783 1.00 10.11 H new ATOM 0 HG23 ILE A 5 5.205 -11.638 9.507 1.00 10.11 H new ATOM 0 HD11 ILE A 5 7.458 -8.979 8.167 1.00 35.42 H new ATOM 0 HD12 ILE A 5 6.627 -10.076 9.295 1.00 35.42 H new ATOM 0 HD13 ILE A 5 7.666 -10.739 8.012 1.00 35.42 H new ATOM 85 N PHE A 6 5.672 -14.860 7.644 1.00 35.03 N ATOM 86 CA PHE A 6 4.980 -16.138 7.880 1.00 53.42 C ATOM 87 C PHE A 6 5.200 -16.618 9.322 1.00 32.43 C ATOM 88 O PHE A 6 6.327 -16.614 9.824 1.00 20.44 O ATOM 89 CB PHE A 6 5.466 -17.216 6.893 1.00 53.14 C ATOM 90 CG PHE A 6 4.892 -17.086 5.501 1.00 52.33 C ATOM 91 CD1 PHE A 6 5.442 -16.205 4.583 1.00 43.45 C ATOM 92 CD2 PHE A 6 3.801 -17.856 5.111 1.00 11.01 C ATOM 93 CE1 PHE A 6 4.918 -16.090 3.307 1.00 11.54 C ATOM 94 CE2 PHE A 6 3.274 -17.746 3.838 1.00 15.14 C ATOM 95 CZ PHE A 6 3.835 -16.863 2.934 1.00 2.12 C ATOM 0 H PHE A 6 6.635 -14.842 7.979 1.00 35.03 H new ATOM 0 HA PHE A 6 3.914 -15.972 7.722 1.00 53.42 H new ATOM 0 HB2 PHE A 6 6.553 -17.172 6.831 1.00 53.14 H new ATOM 0 HB3 PHE A 6 5.209 -18.198 7.290 1.00 53.14 H new ATOM 0 HD1 PHE A 6 6.291 -15.600 4.867 1.00 43.45 H new ATOM 0 HD2 PHE A 6 3.360 -18.549 5.812 1.00 11.01 H new ATOM 0 HE1 PHE A 6 5.355 -15.397 2.604 1.00 11.54 H new ATOM 0 HE2 PHE A 6 2.425 -18.349 3.550 1.00 15.14 H new ATOM 0 HZ PHE A 6 3.427 -16.778 1.938 1.00 2.12 H new ATOM 105 N ASN A 7 4.121 -17.022 9.992 1.00 24.20 N ATOM 106 CA ASN A 7 4.223 -17.542 11.358 1.00 55.14 C ATOM 107 C ASN A 7 4.838 -18.955 11.361 1.00 15.12 C ATOM 108 O ASN A 7 4.132 -19.964 11.445 1.00 72.03 O ATOM 109 CB ASN A 7 2.847 -17.548 12.041 1.00 24.10 C ATOM 110 CG ASN A 7 2.935 -17.877 13.523 1.00 40.14 C ATOM 111 OD1 ASN A 7 3.932 -17.585 14.180 1.00 3.13 O ATOM 112 ND2 ASN A 7 1.896 -18.476 14.069 1.00 73.41 N ATOM 0 H ASN A 7 3.173 -17.000 9.616 1.00 24.20 H new ATOM 0 HA ASN A 7 4.882 -16.883 11.923 1.00 55.14 H new ATOM 0 HB2 ASN A 7 2.378 -16.572 11.916 1.00 24.10 H new ATOM 0 HB3 ASN A 7 2.203 -18.276 11.548 1.00 24.10 H new ATOM 0 HD21 ASN A 7 1.906 -18.709 15.062 1.00 73.41 H new ATOM 0 HD22 ASN A 7 1.082 -18.706 13.499 1.00 73.41 H new ATOM 119 N GLU A 8 6.159 -19.016 11.233 1.00 10.45 N ATOM 120 CA GLU A 8 6.881 -20.289 11.192 1.00 71.12 C ATOM 121 C GLU A 8 7.038 -20.893 12.603 1.00 23.24 C ATOM 122 O GLU A 8 8.059 -20.726 13.269 1.00 1.21 O ATOM 123 CB GLU A 8 8.243 -20.097 10.498 1.00 73.40 C ATOM 124 CG GLU A 8 9.090 -18.965 11.079 1.00 4.41 C ATOM 125 CD GLU A 8 10.284 -18.613 10.203 1.00 61.14 C ATOM 126 OE1 GLU A 8 11.315 -19.316 10.272 1.00 22.23 O ATOM 127 OE2 GLU A 8 10.193 -17.630 9.435 1.00 62.43 O ATOM 0 H GLU A 8 6.758 -18.194 11.155 1.00 10.45 H new ATOM 0 HA GLU A 8 6.298 -21.002 10.610 1.00 71.12 H new ATOM 0 HB2 GLU A 8 8.806 -21.028 10.565 1.00 73.40 H new ATOM 0 HB3 GLU A 8 8.074 -19.902 9.439 1.00 73.40 H new ATOM 0 HG2 GLU A 8 8.467 -18.080 11.208 1.00 4.41 H new ATOM 0 HG3 GLU A 8 9.444 -19.253 12.069 1.00 4.41 H new ATOM 134 N GLU A 9 5.986 -21.571 13.066 1.00 21.04 N ATOM 135 CA GLU A 9 5.994 -22.218 14.382 1.00 13.21 C ATOM 136 C GLU A 9 6.827 -23.511 14.373 1.00 1.22 C ATOM 137 O GLU A 9 6.300 -24.607 14.151 1.00 60.25 O ATOM 138 CB GLU A 9 4.558 -22.518 14.847 1.00 32.41 C ATOM 139 CG GLU A 9 3.685 -21.277 15.015 1.00 51.43 C ATOM 140 CD GLU A 9 2.275 -21.607 15.490 1.00 71.03 C ATOM 141 OE1 GLU A 9 2.095 -21.863 16.702 1.00 70.10 O ATOM 142 OE2 GLU A 9 1.345 -21.615 14.659 1.00 54.44 O ATOM 0 H GLU A 9 5.115 -21.687 12.548 1.00 21.04 H new ATOM 0 HA GLU A 9 6.457 -21.524 15.084 1.00 13.21 H new ATOM 0 HB2 GLU A 9 4.086 -23.186 14.126 1.00 32.41 H new ATOM 0 HB3 GLU A 9 4.599 -23.051 15.797 1.00 32.41 H new ATOM 0 HG2 GLU A 9 4.155 -20.601 15.729 1.00 51.43 H new ATOM 0 HG3 GLU A 9 3.628 -20.747 14.064 1.00 51.43 H new ATOM 149 N TRP A 10 8.135 -23.365 14.576 1.00 10.13 N ATOM 150 CA TRP A 10 9.038 -24.515 14.702 1.00 12.10 C ATOM 151 C TRP A 10 8.918 -25.149 16.098 1.00 41.50 C ATOM 152 O TRP A 10 8.982 -24.450 17.111 1.00 61.24 O ATOM 153 CB TRP A 10 10.493 -24.089 14.460 1.00 33.13 C ATOM 154 CG TRP A 10 10.733 -23.481 13.108 1.00 61.21 C ATOM 155 CD1 TRP A 10 10.741 -22.152 12.796 1.00 72.43 C ATOM 156 CD2 TRP A 10 11.003 -24.180 11.887 1.00 41.13 C ATOM 157 NE1 TRP A 10 10.998 -21.985 11.459 1.00 23.23 N ATOM 158 CE2 TRP A 10 11.162 -23.213 10.878 1.00 63.31 C ATOM 159 CE3 TRP A 10 11.125 -25.532 11.550 1.00 13.40 C ATOM 160 CZ2 TRP A 10 11.437 -23.552 9.556 1.00 64.32 C ATOM 161 CZ3 TRP A 10 11.398 -25.867 10.238 1.00 11.21 C ATOM 162 CH2 TRP A 10 11.552 -24.881 9.253 1.00 4.42 C ATOM 0 H TRP A 10 8.598 -22.460 14.657 1.00 10.13 H new ATOM 0 HA TRP A 10 8.750 -25.250 13.950 1.00 12.10 H new ATOM 0 HB2 TRP A 10 10.783 -23.371 15.227 1.00 33.13 H new ATOM 0 HB3 TRP A 10 11.140 -24.959 14.576 1.00 33.13 H new ATOM 0 HD1 TRP A 10 10.570 -21.350 13.499 1.00 72.43 H new ATOM 0 HE1 TRP A 10 11.057 -21.089 10.975 1.00 23.23 H new ATOM 0 HE3 TRP A 10 11.008 -26.299 12.301 1.00 13.40 H new ATOM 0 HZ2 TRP A 10 11.555 -22.793 8.797 1.00 64.32 H new ATOM 0 HZ3 TRP A 10 11.495 -26.908 9.966 1.00 11.21 H new ATOM 0 HH2 TRP A 10 11.765 -25.176 8.236 1.00 4.42 H new ATOM 173 N MET A 11 8.749 -26.469 16.151 1.00 12.42 N ATOM 174 CA MET A 11 8.618 -27.179 17.431 1.00 63.31 C ATOM 175 C MET A 11 9.077 -28.644 17.321 1.00 44.41 C ATOM 176 O MET A 11 8.849 -29.301 16.307 1.00 53.40 O ATOM 177 CB MET A 11 7.162 -27.109 17.921 1.00 70.33 C ATOM 178 CG MET A 11 6.140 -27.624 16.914 1.00 12.51 C ATOM 179 SD MET A 11 4.440 -27.395 17.474 1.00 51.24 S ATOM 180 CE MET A 11 4.375 -25.611 17.651 1.00 62.20 C ATOM 0 H MET A 11 8.699 -27.070 15.329 1.00 12.42 H new ATOM 0 HA MET A 11 9.268 -26.688 18.155 1.00 63.31 H new ATOM 0 HB2 MET A 11 7.072 -27.686 18.841 1.00 70.33 H new ATOM 0 HB3 MET A 11 6.923 -26.075 18.168 1.00 70.33 H new ATOM 0 HG2 MET A 11 6.279 -27.107 15.964 1.00 12.51 H new ATOM 0 HG3 MET A 11 6.319 -28.683 16.730 1.00 12.51 H new ATOM 0 HE1 MET A 11 3.400 -25.248 17.327 1.00 62.20 H new ATOM 0 HE2 MET A 11 4.533 -25.343 18.696 1.00 62.20 H new ATOM 0 HE3 MET A 11 5.153 -25.156 17.038 1.00 62.20 H new ATOM 190 N VAL A 12 9.731 -29.148 18.370 1.00 75.52 N ATOM 191 CA VAL A 12 10.202 -30.541 18.400 1.00 71.02 C ATOM 192 C VAL A 12 9.031 -31.542 18.379 1.00 44.33 C ATOM 193 O VAL A 12 7.879 -31.169 18.608 1.00 55.11 O ATOM 194 CB VAL A 12 11.077 -30.814 19.650 1.00 31.43 C ATOM 195 CG1 VAL A 12 12.334 -29.948 19.634 1.00 1.21 C ATOM 196 CG2 VAL A 12 10.280 -30.590 20.936 1.00 41.23 C ATOM 0 H VAL A 12 9.948 -28.615 19.212 1.00 75.52 H new ATOM 0 HA VAL A 12 10.802 -30.682 17.501 1.00 71.02 H new ATOM 0 HB VAL A 12 11.385 -31.859 19.622 1.00 31.43 H new ATOM 0 HG11 VAL A 12 12.932 -30.158 20.521 1.00 1.21 H new ATOM 0 HG12 VAL A 12 12.919 -30.172 18.742 1.00 1.21 H new ATOM 0 HG13 VAL A 12 12.051 -28.895 19.628 1.00 1.21 H new ATOM 0 HG21 VAL A 12 10.917 -30.788 21.798 1.00 41.23 H new ATOM 0 HG22 VAL A 12 9.931 -29.558 20.973 1.00 41.23 H new ATOM 0 HG23 VAL A 12 9.423 -31.264 20.955 1.00 41.23 H new ATOM 206 N GLU A 13 9.338 -32.814 18.120 1.00 70.52 N ATOM 207 CA GLU A 13 8.315 -33.872 18.049 1.00 53.33 C ATOM 208 C GLU A 13 7.425 -33.887 19.306 1.00 54.12 C ATOM 209 O GLU A 13 6.196 -33.946 19.214 1.00 14.11 O ATOM 210 CB GLU A 13 8.988 -35.244 17.874 1.00 62.33 C ATOM 211 CG GLU A 13 8.003 -36.397 17.707 1.00 62.03 C ATOM 212 CD GLU A 13 8.673 -37.762 17.746 1.00 53.12 C ATOM 213 OE1 GLU A 13 9.189 -38.212 16.703 1.00 34.13 O ATOM 214 OE2 GLU A 13 8.702 -38.383 18.830 1.00 31.31 O ATOM 0 H GLU A 13 10.289 -33.143 17.955 1.00 70.52 H new ATOM 0 HA GLU A 13 7.680 -33.661 17.189 1.00 53.33 H new ATOM 0 HB2 GLU A 13 9.642 -35.209 17.003 1.00 62.33 H new ATOM 0 HB3 GLU A 13 9.620 -35.441 18.740 1.00 62.33 H new ATOM 0 HG2 GLU A 13 7.253 -36.344 18.496 1.00 62.03 H new ATOM 0 HG3 GLU A 13 7.477 -36.284 16.759 1.00 62.03 H new ATOM 221 N LYS A 14 8.059 -33.817 20.475 1.00 41.34 N ATOM 222 CA LYS A 14 7.349 -33.829 21.759 1.00 44.43 C ATOM 223 C LYS A 14 6.374 -32.641 21.876 1.00 54.11 C ATOM 224 O LYS A 14 5.283 -32.777 22.422 1.00 34.53 O ATOM 225 CB LYS A 14 8.375 -33.822 22.911 1.00 62.21 C ATOM 226 CG LYS A 14 7.783 -34.051 24.305 1.00 34.01 C ATOM 227 CD LYS A 14 7.297 -32.755 24.950 1.00 53.20 C ATOM 228 CE LYS A 14 8.450 -31.805 25.264 1.00 72.02 C ATOM 229 NZ LYS A 14 7.971 -30.523 25.839 1.00 44.32 N ATOM 0 H LYS A 14 9.073 -33.751 20.562 1.00 41.34 H new ATOM 0 HA LYS A 14 6.750 -34.738 21.820 1.00 44.43 H new ATOM 0 HB2 LYS A 14 9.121 -34.593 22.718 1.00 62.21 H new ATOM 0 HB3 LYS A 14 8.897 -32.865 22.907 1.00 62.21 H new ATOM 0 HG2 LYS A 14 6.952 -34.752 24.233 1.00 34.01 H new ATOM 0 HG3 LYS A 14 8.535 -34.513 24.945 1.00 34.01 H new ATOM 0 HD2 LYS A 14 6.591 -32.260 24.283 1.00 53.20 H new ATOM 0 HD3 LYS A 14 6.758 -32.987 25.869 1.00 53.20 H new ATOM 0 HE2 LYS A 14 9.134 -32.284 25.965 1.00 72.02 H new ATOM 0 HE3 LYS A 14 9.014 -31.606 24.353 1.00 72.02 H new ATOM 0 HZ1 LYS A 14 8.784 -29.906 26.038 1.00 44.32 H new ATOM 0 HZ2 LYS A 14 7.338 -30.053 25.161 1.00 44.32 H new ATOM 0 HZ3 LYS A 14 7.454 -30.710 26.722 1.00 44.32 H new ATOM 243 N ALA A 15 6.768 -31.484 21.351 1.00 74.21 N ATOM 244 CA ALA A 15 5.904 -30.295 21.369 1.00 23.20 C ATOM 245 C ALA A 15 4.799 -30.401 20.310 1.00 45.42 C ATOM 246 O ALA A 15 3.648 -30.021 20.543 1.00 24.24 O ATOM 247 CB ALA A 15 6.733 -29.035 21.143 1.00 31.03 C ATOM 0 H ALA A 15 7.675 -31.339 20.908 1.00 74.21 H new ATOM 0 HA ALA A 15 5.430 -30.235 22.349 1.00 23.20 H new ATOM 0 HB1 ALA A 15 6.080 -28.162 21.159 1.00 31.03 H new ATOM 0 HB2 ALA A 15 7.479 -28.944 21.932 1.00 31.03 H new ATOM 0 HB3 ALA A 15 7.233 -29.097 20.176 1.00 31.03 H new ATOM 253 N LEU A 16 5.156 -30.937 19.148 1.00 61.11 N ATOM 254 CA LEU A 16 4.224 -31.068 18.025 1.00 73.51 C ATOM 255 C LEU A 16 3.078 -32.039 18.360 1.00 13.25 C ATOM 256 O LEU A 16 1.911 -31.769 18.051 1.00 65.20 O ATOM 257 CB LEU A 16 4.996 -31.529 16.776 1.00 53.22 C ATOM 258 CG LEU A 16 4.223 -31.542 15.438 1.00 13.30 C ATOM 259 CD1 LEU A 16 3.330 -32.778 15.306 1.00 45.43 C ATOM 260 CD2 LEU A 16 3.411 -30.255 15.266 1.00 74.43 C ATOM 0 H LEU A 16 6.092 -31.292 18.955 1.00 61.11 H new ATOM 0 HA LEU A 16 3.770 -30.097 17.826 1.00 73.51 H new ATOM 0 HB2 LEU A 16 5.866 -30.883 16.658 1.00 53.22 H new ATOM 0 HB3 LEU A 16 5.369 -32.536 16.961 1.00 53.22 H new ATOM 0 HG LEU A 16 4.960 -31.592 14.636 1.00 13.30 H new ATOM 0 HD11 LEU A 16 2.805 -32.747 14.351 1.00 45.43 H new ATOM 0 HD12 LEU A 16 3.944 -33.677 15.354 1.00 45.43 H new ATOM 0 HD13 LEU A 16 2.604 -32.791 16.119 1.00 45.43 H new ATOM 0 HD21 LEU A 16 2.875 -30.287 14.317 1.00 74.43 H new ATOM 0 HD22 LEU A 16 2.696 -30.164 16.084 1.00 74.43 H new ATOM 0 HD23 LEU A 16 4.083 -29.397 15.275 1.00 74.43 H new ATOM 272 N MET A 17 3.408 -33.170 18.988 1.00 43.33 N ATOM 273 CA MET A 17 2.391 -34.156 19.375 1.00 23.31 C ATOM 274 C MET A 17 1.373 -33.554 20.358 1.00 25.31 C ATOM 275 O MET A 17 0.221 -33.978 20.407 1.00 70.35 O ATOM 276 CB MET A 17 3.043 -35.412 19.976 1.00 42.44 C ATOM 277 CG MET A 17 3.834 -35.170 21.252 1.00 42.40 C ATOM 278 SD MET A 17 4.587 -36.678 21.898 1.00 0.04 S ATOM 279 CE MET A 17 5.653 -37.143 20.535 1.00 4.01 C ATOM 0 H MET A 17 4.363 -33.426 19.239 1.00 43.33 H new ATOM 0 HA MET A 17 1.855 -34.446 18.471 1.00 23.31 H new ATOM 0 HB2 MET A 17 2.264 -36.146 20.182 1.00 42.44 H new ATOM 0 HB3 MET A 17 3.707 -35.852 19.231 1.00 42.44 H new ATOM 0 HG2 MET A 17 4.614 -34.433 21.058 1.00 42.40 H new ATOM 0 HG3 MET A 17 3.175 -34.744 22.009 1.00 42.40 H new ATOM 0 HE1 MET A 17 6.657 -37.341 20.910 1.00 4.01 H new ATOM 0 HE2 MET A 17 5.261 -38.040 20.056 1.00 4.01 H new ATOM 0 HE3 MET A 17 5.690 -36.331 19.809 1.00 4.01 H new ATOM 289 N VAL A 18 1.805 -32.554 21.128 1.00 74.22 N ATOM 290 CA VAL A 18 0.903 -31.820 22.026 1.00 33.33 C ATOM 291 C VAL A 18 -0.111 -30.989 21.222 1.00 22.13 C ATOM 292 O VAL A 18 -1.315 -31.036 21.472 1.00 4.23 O ATOM 293 CB VAL A 18 1.692 -30.877 22.971 1.00 32.15 C ATOM 294 CG1 VAL A 18 0.759 -30.171 23.955 1.00 32.11 C ATOM 295 CG2 VAL A 18 2.785 -31.643 23.711 1.00 2.41 C ATOM 0 H VAL A 18 2.773 -32.232 21.150 1.00 74.22 H new ATOM 0 HA VAL A 18 0.374 -32.561 22.625 1.00 33.33 H new ATOM 0 HB VAL A 18 2.168 -30.112 22.358 1.00 32.15 H new ATOM 0 HG11 VAL A 18 1.342 -29.517 24.604 1.00 32.11 H new ATOM 0 HG12 VAL A 18 0.029 -29.578 23.403 1.00 32.11 H new ATOM 0 HG13 VAL A 18 0.240 -30.914 24.561 1.00 32.11 H new ATOM 0 HG21 VAL A 18 3.326 -30.962 24.368 1.00 2.41 H new ATOM 0 HG22 VAL A 18 2.334 -32.438 24.305 1.00 2.41 H new ATOM 0 HG23 VAL A 18 3.477 -32.077 22.990 1.00 2.41 H new ATOM 305 N ARG A 19 0.392 -30.236 20.247 1.00 30.54 N ATOM 306 CA ARG A 19 -0.450 -29.384 19.396 1.00 1.42 C ATOM 307 C ARG A 19 -1.427 -30.206 18.529 1.00 12.45 C ATOM 308 O ARG A 19 -2.598 -29.857 18.392 1.00 14.02 O ATOM 309 CB ARG A 19 0.441 -28.523 18.485 1.00 35.12 C ATOM 310 CG ARG A 19 1.248 -27.451 19.217 1.00 75.30 C ATOM 311 CD ARG A 19 0.372 -26.282 19.663 1.00 35.14 C ATOM 312 NE ARG A 19 1.153 -25.223 20.300 1.00 54.32 N ATOM 313 CZ ARG A 19 1.604 -24.159 19.681 1.00 13.34 C ATOM 314 NH1 ARG A 19 1.322 -23.948 18.433 1.00 54.11 N ATOM 315 NH2 ARG A 19 2.310 -23.292 20.326 1.00 71.43 N ATOM 0 H ARG A 19 1.386 -30.195 20.022 1.00 30.54 H new ATOM 0 HA ARG A 19 -1.045 -28.751 20.055 1.00 1.42 H new ATOM 0 HB2 ARG A 19 1.130 -29.176 17.950 1.00 35.12 H new ATOM 0 HB3 ARG A 19 -0.186 -28.039 17.736 1.00 35.12 H new ATOM 0 HG2 ARG A 19 1.733 -27.893 20.087 1.00 75.30 H new ATOM 0 HG3 ARG A 19 2.039 -27.083 18.564 1.00 75.30 H new ATOM 0 HD2 ARG A 19 -0.155 -25.875 18.800 1.00 35.14 H new ATOM 0 HD3 ARG A 19 -0.386 -26.642 20.359 1.00 35.14 H new ATOM 0 HE ARG A 19 1.361 -25.318 21.294 1.00 54.32 H new ATOM 0 HH11 ARG A 19 0.743 -24.614 17.921 1.00 54.11 H new ATOM 0 HH12 ARG A 19 1.679 -23.116 17.963 1.00 54.11 H new ATOM 0 HH21 ARG A 19 2.516 -23.436 21.315 1.00 71.43 H new ATOM 0 HH22 ARG A 19 2.662 -22.463 19.847 1.00 71.43 H new ATOM 329 N THR A 20 -0.939 -31.302 17.951 1.00 24.10 N ATOM 330 CA THR A 20 -1.725 -32.085 16.977 1.00 4.12 C ATOM 331 C THR A 20 -2.500 -33.246 17.623 1.00 32.02 C ATOM 332 O THR A 20 -3.563 -33.638 17.136 1.00 41.21 O ATOM 333 CB THR A 20 -0.816 -32.669 15.872 1.00 62.44 C ATOM 334 OG1 THR A 20 0.177 -33.524 16.461 1.00 70.20 O ATOM 335 CG2 THR A 20 -0.132 -31.558 15.077 1.00 72.24 C ATOM 0 H THR A 20 -0.007 -31.674 18.134 1.00 24.10 H new ATOM 0 HA THR A 20 -2.443 -31.384 16.552 1.00 4.12 H new ATOM 0 HB THR A 20 -1.439 -33.246 15.188 1.00 62.44 H new ATOM 0 HG1 THR A 20 0.760 -32.995 17.044 1.00 70.20 H new ATOM 0 HG21 THR A 20 0.501 -31.999 14.307 1.00 72.24 H new ATOM 0 HG22 THR A 20 -0.888 -30.927 14.609 1.00 72.24 H new ATOM 0 HG23 THR A 20 0.479 -30.954 15.748 1.00 72.24 H new ATOM 343 N GLY A 21 -1.968 -33.804 18.705 1.00 31.41 N ATOM 344 CA GLY A 21 -2.616 -34.938 19.366 1.00 72.31 C ATOM 345 C GLY A 21 -2.125 -36.292 18.854 1.00 72.15 C ATOM 346 O GLY A 21 -2.679 -37.334 19.209 1.00 50.32 O ATOM 0 H GLY A 21 -1.099 -33.496 19.142 1.00 31.41 H new ATOM 0 HA2 GLY A 21 -2.437 -34.876 20.439 1.00 72.31 H new ATOM 0 HA3 GLY A 21 -3.694 -34.870 19.218 1.00 72.31 H new ATOM 350 N LEU A 22 -1.090 -36.275 18.014 1.00 14.41 N ATOM 351 CA LEU A 22 -0.487 -37.514 17.493 1.00 13.02 C ATOM 352 C LEU A 22 0.465 -38.158 18.516 1.00 23.14 C ATOM 353 O LEU A 22 0.939 -37.502 19.437 1.00 63.21 O ATOM 354 CB LEU A 22 0.279 -37.236 16.184 1.00 62.22 C ATOM 355 CG LEU A 22 -0.570 -37.226 14.898 1.00 11.33 C ATOM 356 CD1 LEU A 22 -1.710 -36.212 14.993 1.00 4.13 C ATOM 357 CD2 LEU A 22 0.304 -36.932 13.678 1.00 23.12 C ATOM 0 H LEU A 22 -0.648 -35.420 17.677 1.00 14.41 H new ATOM 0 HA LEU A 22 -1.303 -38.210 17.297 1.00 13.02 H new ATOM 0 HB2 LEU A 22 0.777 -36.271 16.275 1.00 62.22 H new ATOM 0 HB3 LEU A 22 1.060 -37.989 16.075 1.00 62.22 H new ATOM 0 HG LEU A 22 -1.010 -38.217 14.783 1.00 11.33 H new ATOM 0 HD11 LEU A 22 -2.290 -36.229 14.070 1.00 4.13 H new ATOM 0 HD12 LEU A 22 -2.356 -36.468 15.833 1.00 4.13 H new ATOM 0 HD13 LEU A 22 -1.298 -35.214 15.144 1.00 4.13 H new ATOM 0 HD21 LEU A 22 -0.314 -36.929 12.780 1.00 23.12 H new ATOM 0 HD22 LEU A 22 0.777 -35.957 13.796 1.00 23.12 H new ATOM 0 HD23 LEU A 22 1.072 -37.700 13.587 1.00 23.12 H new ATOM 369 N GLY A 23 0.741 -39.450 18.338 1.00 44.12 N ATOM 370 CA GLY A 23 1.724 -40.138 19.175 1.00 11.52 C ATOM 371 C GLY A 23 3.017 -40.429 18.417 1.00 40.25 C ATOM 372 O GLY A 23 2.998 -40.575 17.194 1.00 71.32 O ATOM 0 H GLY A 23 0.302 -40.037 17.628 1.00 44.12 H new ATOM 0 HA2 GLY A 23 1.946 -39.527 20.050 1.00 11.52 H new ATOM 0 HA3 GLY A 23 1.299 -41.073 19.539 1.00 11.52 H new ATOM 376 N ALA A 24 4.135 -40.532 19.136 1.00 44.21 N ATOM 377 CA ALA A 24 5.450 -40.757 18.516 1.00 31.55 C ATOM 378 C ALA A 24 5.438 -41.963 17.561 1.00 43.41 C ATOM 379 O ALA A 24 6.001 -41.907 16.462 1.00 23.13 O ATOM 380 CB ALA A 24 6.508 -40.942 19.598 1.00 45.12 C ATOM 0 H ALA A 24 4.160 -40.463 20.153 1.00 44.21 H new ATOM 0 HA ALA A 24 5.693 -39.878 17.919 1.00 31.55 H new ATOM 0 HB1 ALA A 24 7.479 -41.108 19.132 1.00 45.12 H new ATOM 0 HB2 ALA A 24 6.552 -40.048 20.220 1.00 45.12 H new ATOM 0 HB3 ALA A 24 6.250 -41.802 20.216 1.00 45.12 H new ATOM 386 N ARG A 25 4.767 -43.041 17.974 1.00 20.54 N ATOM 387 CA ARG A 25 4.667 -44.256 17.152 1.00 72.51 C ATOM 388 C ARG A 25 3.923 -43.986 15.829 1.00 22.12 C ATOM 389 O ARG A 25 4.145 -44.671 14.831 1.00 14.01 O ATOM 390 CB ARG A 25 3.973 -45.387 17.932 1.00 52.34 C ATOM 391 CG ARG A 25 2.522 -45.094 18.309 1.00 42.34 C ATOM 392 CD ARG A 25 1.885 -46.253 19.078 1.00 22.15 C ATOM 393 NE ARG A 25 1.942 -47.511 18.328 1.00 71.24 N ATOM 394 CZ ARG A 25 1.031 -48.447 18.375 1.00 31.25 C ATOM 395 NH1 ARG A 25 -0.037 -48.304 19.094 1.00 21.11 N ATOM 396 NH2 ARG A 25 1.190 -49.527 17.683 1.00 2.34 N ATOM 0 H ARG A 25 4.285 -43.100 18.871 1.00 20.54 H new ATOM 0 HA ARG A 25 5.682 -44.569 16.908 1.00 72.51 H new ATOM 0 HB2 ARG A 25 4.004 -46.297 17.333 1.00 52.34 H new ATOM 0 HB3 ARG A 25 4.539 -45.585 18.842 1.00 52.34 H new ATOM 0 HG2 ARG A 25 2.481 -44.190 18.916 1.00 42.34 H new ATOM 0 HG3 ARG A 25 1.945 -44.898 17.405 1.00 42.34 H new ATOM 0 HD2 ARG A 25 2.395 -46.378 20.033 1.00 22.15 H new ATOM 0 HD3 ARG A 25 0.846 -46.011 19.301 1.00 22.15 H new ATOM 0 HE ARG A 25 2.751 -47.667 17.726 1.00 71.24 H new ATOM 0 HH11 ARG A 25 -0.177 -47.451 19.635 1.00 21.11 H new ATOM 0 HH12 ARG A 25 -0.738 -49.045 19.119 1.00 21.11 H new ATOM 0 HH21 ARG A 25 2.022 -49.645 17.105 1.00 2.34 H new ATOM 0 HH22 ARG A 25 0.483 -50.262 17.715 1.00 2.34 H new ATOM 410 N GLN A 26 3.038 -42.988 15.828 1.00 15.50 N ATOM 411 CA GLN A 26 2.318 -42.588 14.612 1.00 21.35 C ATOM 412 C GLN A 26 3.157 -41.604 13.781 1.00 72.14 C ATOM 413 O GLN A 26 3.212 -41.692 12.555 1.00 42.31 O ATOM 414 CB GLN A 26 0.968 -41.949 14.976 1.00 25.14 C ATOM 415 CG GLN A 26 0.056 -41.709 13.778 1.00 24.42 C ATOM 416 CD GLN A 26 -1.239 -41.005 14.150 1.00 52.43 C ATOM 417 OE1 GLN A 26 -1.797 -40.258 13.216 1.00 51.03 O flip ATOM 418 NE2 GLN A 26 -1.741 -41.139 15.262 1.00 33.43 N flip ATOM 0 H GLN A 26 2.801 -42.440 16.655 1.00 15.50 H new ATOM 0 HA GLN A 26 2.138 -43.482 14.014 1.00 21.35 H new ATOM 0 HB2 GLN A 26 0.453 -42.592 15.689 1.00 25.14 H new ATOM 0 HB3 GLN A 26 1.150 -40.999 15.478 1.00 25.14 H new ATOM 0 HG2 GLN A 26 0.588 -41.112 13.037 1.00 24.42 H new ATOM 0 HG3 GLN A 26 -0.178 -42.665 13.309 1.00 24.42 H new ATOM 0 HE21 GLN A 26 -1.283 -41.724 15.961 1.00 33.43 H new ATOM 0 HE22 GLN A 26 -2.616 -40.665 15.487 1.00 33.43 H new ATOM 427 N ILE A 27 3.818 -40.670 14.464 1.00 33.00 N ATOM 428 CA ILE A 27 4.630 -39.641 13.801 1.00 22.54 C ATOM 429 C ILE A 27 5.748 -40.255 12.937 1.00 13.54 C ATOM 430 O ILE A 27 6.015 -39.784 11.831 1.00 23.14 O ATOM 431 CB ILE A 27 5.238 -38.656 14.835 1.00 61.24 C ATOM 432 CG1 ILE A 27 4.110 -37.941 15.604 1.00 32.02 C ATOM 433 CG2 ILE A 27 6.154 -37.641 14.145 1.00 4.34 C ATOM 434 CD1 ILE A 27 4.599 -36.989 16.676 1.00 23.02 C ATOM 0 H ILE A 27 3.809 -40.602 15.482 1.00 33.00 H new ATOM 0 HA ILE A 27 3.960 -39.090 13.141 1.00 22.54 H new ATOM 0 HB ILE A 27 5.842 -39.221 15.545 1.00 61.24 H new ATOM 0 HG12 ILE A 27 3.495 -37.387 14.894 1.00 32.02 H new ATOM 0 HG13 ILE A 27 3.467 -38.691 16.065 1.00 32.02 H new ATOM 0 HG21 ILE A 27 6.569 -36.961 14.889 1.00 4.34 H new ATOM 0 HG22 ILE A 27 6.965 -38.167 13.641 1.00 4.34 H new ATOM 0 HG23 ILE A 27 5.581 -37.072 13.413 1.00 4.34 H new ATOM 0 HD11 ILE A 27 3.744 -36.527 17.170 1.00 23.02 H new ATOM 0 HD12 ILE A 27 5.188 -37.539 17.410 1.00 23.02 H new ATOM 0 HD13 ILE A 27 5.217 -36.215 16.221 1.00 23.02 H new ATOM 446 N GLU A 28 6.388 -41.318 13.430 1.00 62.42 N ATOM 447 CA GLU A 28 7.427 -42.018 12.654 1.00 71.44 C ATOM 448 C GLU A 28 6.849 -42.615 11.360 1.00 72.23 C ATOM 449 O GLU A 28 7.515 -42.644 10.324 1.00 4.30 O ATOM 450 CB GLU A 28 8.093 -43.113 13.501 1.00 74.43 C ATOM 451 CG GLU A 28 7.128 -44.168 14.029 1.00 33.40 C ATOM 452 CD GLU A 28 7.831 -45.255 14.824 1.00 11.54 C ATOM 453 OE1 GLU A 28 8.275 -44.974 15.957 1.00 25.41 O ATOM 454 OE2 GLU A 28 7.952 -46.392 14.313 1.00 4.42 O ATOM 0 H GLU A 28 6.211 -41.714 14.353 1.00 62.42 H new ATOM 0 HA GLU A 28 8.185 -41.285 12.377 1.00 71.44 H new ATOM 0 HB2 GLU A 28 8.859 -43.605 12.901 1.00 74.43 H new ATOM 0 HB3 GLU A 28 8.600 -42.646 14.345 1.00 74.43 H new ATOM 0 HG2 GLU A 28 6.380 -43.688 14.659 1.00 33.40 H new ATOM 0 HG3 GLU A 28 6.597 -44.621 13.192 1.00 33.40 H new ATOM 461 N SER A 29 5.594 -43.064 11.420 1.00 54.34 N ATOM 462 CA SER A 29 4.897 -43.590 10.235 1.00 35.45 C ATOM 463 C SER A 29 4.749 -42.501 9.162 1.00 63.01 C ATOM 464 O SER A 29 4.682 -42.787 7.968 1.00 51.32 O ATOM 465 CB SER A 29 3.517 -44.140 10.624 1.00 70.32 C ATOM 466 OG SER A 29 2.843 -44.708 9.510 1.00 74.24 O ATOM 0 H SER A 29 5.036 -43.076 12.274 1.00 54.34 H new ATOM 0 HA SER A 29 5.495 -44.402 9.822 1.00 35.45 H new ATOM 0 HB2 SER A 29 3.632 -44.894 11.402 1.00 70.32 H new ATOM 0 HB3 SER A 29 2.911 -43.338 11.045 1.00 70.32 H new ATOM 0 HG SER A 29 1.970 -45.049 9.795 1.00 74.24 H new ATOM 472 N TYR A 30 4.704 -41.244 9.600 1.00 72.20 N ATOM 473 CA TYR A 30 4.683 -40.100 8.678 1.00 64.51 C ATOM 474 C TYR A 30 6.105 -39.639 8.313 1.00 53.04 C ATOM 475 O TYR A 30 6.347 -39.162 7.203 1.00 45.32 O ATOM 476 CB TYR A 30 3.886 -38.941 9.284 1.00 62.23 C ATOM 477 CG TYR A 30 2.407 -39.245 9.436 1.00 22.31 C ATOM 478 CD1 TYR A 30 1.610 -39.477 8.317 1.00 63.33 C ATOM 479 CD2 TYR A 30 1.809 -39.319 10.691 1.00 42.35 C ATOM 480 CE1 TYR A 30 0.266 -39.765 8.444 1.00 55.21 C ATOM 481 CE2 TYR A 30 0.463 -39.610 10.822 1.00 21.41 C ATOM 482 CZ TYR A 30 -0.301 -39.833 9.696 1.00 50.13 C ATOM 483 OH TYR A 30 -1.640 -40.130 9.824 1.00 31.10 O ATOM 0 H TYR A 30 4.681 -40.988 10.587 1.00 72.20 H new ATOM 0 HA TYR A 30 4.194 -40.425 7.759 1.00 64.51 H new ATOM 0 HB2 TYR A 30 4.302 -38.695 10.261 1.00 62.23 H new ATOM 0 HB3 TYR A 30 4.006 -38.059 8.655 1.00 62.23 H new ATOM 0 HD1 TYR A 30 2.052 -39.431 7.333 1.00 63.33 H new ATOM 0 HD2 TYR A 30 2.405 -39.147 11.575 1.00 42.35 H new ATOM 0 HE1 TYR A 30 -0.338 -39.936 7.565 1.00 55.21 H new ATOM 0 HE2 TYR A 30 0.012 -39.662 11.802 1.00 21.41 H new ATOM 0 HH TYR A 30 -1.883 -40.141 10.773 1.00 31.10 H new ATOM 493 N ARG A 31 7.045 -39.797 9.247 1.00 3.14 N ATOM 494 CA ARG A 31 8.446 -39.414 9.017 1.00 24.13 C ATOM 495 C ARG A 31 9.105 -40.251 7.909 1.00 35.13 C ATOM 496 O ARG A 31 10.113 -39.844 7.330 1.00 22.33 O ATOM 497 CB ARG A 31 9.262 -39.535 10.317 1.00 53.41 C ATOM 498 CG ARG A 31 9.054 -38.376 11.290 1.00 73.35 C ATOM 499 CD ARG A 31 9.950 -38.490 12.523 1.00 23.21 C ATOM 500 NE ARG A 31 9.429 -39.432 13.515 1.00 2.34 N ATOM 501 CZ ARG A 31 10.175 -40.120 14.336 1.00 44.54 C ATOM 502 NH1 ARG A 31 11.465 -40.040 14.273 1.00 2.22 N ATOM 503 NH2 ARG A 31 9.627 -40.886 15.225 1.00 53.05 N ATOM 0 H ARG A 31 6.865 -40.188 10.172 1.00 3.14 H new ATOM 0 HA ARG A 31 8.439 -38.375 8.688 1.00 24.13 H new ATOM 0 HB2 ARG A 31 8.996 -40.467 10.816 1.00 53.41 H new ATOM 0 HB3 ARG A 31 10.321 -39.599 10.065 1.00 53.41 H new ATOM 0 HG2 ARG A 31 9.258 -37.435 10.780 1.00 73.35 H new ATOM 0 HG3 ARG A 31 8.010 -38.349 11.603 1.00 73.35 H new ATOM 0 HD2 ARG A 31 10.946 -38.807 12.215 1.00 23.21 H new ATOM 0 HD3 ARG A 31 10.056 -37.507 12.982 1.00 23.21 H new ATOM 0 HE ARG A 31 8.418 -39.559 13.568 1.00 2.34 H new ATOM 0 HH11 ARG A 31 11.905 -39.436 13.579 1.00 2.22 H new ATOM 0 HH12 ARG A 31 12.042 -40.581 14.918 1.00 2.22 H new ATOM 0 HH21 ARG A 31 8.611 -40.952 15.284 1.00 53.05 H new ATOM 0 HH22 ARG A 31 10.212 -41.423 15.866 1.00 53.05 H new ATOM 517 N GLN A 32 8.538 -41.418 7.617 1.00 41.15 N ATOM 518 CA GLN A 32 9.107 -42.314 6.604 1.00 43.20 C ATOM 519 C GLN A 32 8.761 -41.873 5.167 1.00 32.33 C ATOM 520 O GLN A 32 9.290 -42.430 4.202 1.00 63.22 O ATOM 521 CB GLN A 32 8.629 -43.755 6.839 1.00 75.11 C ATOM 522 CG GLN A 32 7.136 -43.961 6.628 1.00 0.24 C ATOM 523 CD GLN A 32 6.699 -45.395 6.876 1.00 23.53 C ATOM 524 OE1 GLN A 32 7.283 -46.111 7.688 1.00 23.41 O ATOM 525 NE2 GLN A 32 5.672 -45.832 6.176 1.00 55.54 N ATOM 0 H GLN A 32 7.690 -41.768 8.062 1.00 41.15 H new ATOM 0 HA GLN A 32 10.191 -42.265 6.708 1.00 43.20 H new ATOM 0 HB2 GLN A 32 9.174 -44.420 6.169 1.00 75.11 H new ATOM 0 HB3 GLN A 32 8.884 -44.049 7.857 1.00 75.11 H new ATOM 0 HG2 GLN A 32 6.585 -43.298 7.294 1.00 0.24 H new ATOM 0 HG3 GLN A 32 6.875 -43.678 5.608 1.00 0.24 H new ATOM 0 HE21 GLN A 32 5.209 -45.214 5.510 1.00 55.54 H new ATOM 0 HE22 GLN A 32 5.340 -46.789 6.300 1.00 55.54 H new ATOM 534 N GLY A 33 7.883 -40.876 5.019 1.00 40.14 N ATOM 535 CA GLY A 33 7.482 -40.440 3.679 1.00 73.25 C ATOM 536 C GLY A 33 6.807 -39.068 3.630 1.00 3.20 C ATOM 537 O GLY A 33 7.168 -38.224 2.807 1.00 14.23 O ATOM 0 H GLY A 33 7.447 -40.368 5.788 1.00 40.14 H new ATOM 0 HA2 GLY A 33 8.364 -40.419 3.039 1.00 73.25 H new ATOM 0 HA3 GLY A 33 6.801 -41.180 3.259 1.00 73.25 H new ATOM 541 N ALA A 34 5.818 -38.846 4.491 1.00 30.53 N ATOM 542 CA ALA A 34 5.047 -37.590 4.481 1.00 2.52 C ATOM 543 C ALA A 34 5.895 -36.375 4.906 1.00 41.13 C ATOM 544 O ALA A 34 5.772 -35.283 4.341 1.00 71.51 O ATOM 545 CB ALA A 34 3.822 -37.723 5.380 1.00 73.54 C ATOM 0 H ALA A 34 5.526 -39.513 5.206 1.00 30.53 H new ATOM 0 HA ALA A 34 4.729 -37.412 3.454 1.00 2.52 H new ATOM 0 HB1 ALA A 34 3.258 -36.790 5.367 1.00 73.54 H new ATOM 0 HB2 ALA A 34 3.191 -38.534 5.017 1.00 73.54 H new ATOM 0 HB3 ALA A 34 4.141 -37.940 6.400 1.00 73.54 H new ATOM 551 N TRP A 35 6.742 -36.563 5.914 1.00 52.22 N ATOM 552 CA TRP A 35 7.616 -35.489 6.405 1.00 75.21 C ATOM 553 C TRP A 35 8.753 -35.182 5.412 1.00 30.11 C ATOM 554 O TRP A 35 9.700 -35.954 5.274 1.00 63.12 O ATOM 555 CB TRP A 35 8.207 -35.863 7.775 1.00 14.22 C ATOM 556 CG TRP A 35 7.319 -35.597 8.974 1.00 43.55 C ATOM 557 CD1 TRP A 35 7.755 -35.399 10.253 1.00 34.35 C ATOM 558 CD2 TRP A 35 5.880 -35.488 9.027 1.00 21.20 C ATOM 559 NE1 TRP A 35 6.694 -35.193 11.095 1.00 63.23 N ATOM 560 CE2 TRP A 35 5.536 -35.238 10.372 1.00 64.43 C ATOM 561 CE3 TRP A 35 4.850 -35.580 8.085 1.00 14.44 C ATOM 562 CZ2 TRP A 35 4.218 -35.080 10.789 1.00 24.30 C ATOM 563 CZ3 TRP A 35 3.542 -35.420 8.502 1.00 34.34 C ATOM 564 CH2 TRP A 35 3.237 -35.173 9.845 1.00 43.44 C ATOM 0 H TRP A 35 6.846 -37.448 6.411 1.00 52.22 H new ATOM 0 HA TRP A 35 7.005 -34.592 6.507 1.00 75.21 H new ATOM 0 HB2 TRP A 35 8.460 -36.923 7.763 1.00 14.22 H new ATOM 0 HB3 TRP A 35 9.139 -35.314 7.909 1.00 14.22 H new ATOM 0 HD1 TRP A 35 8.791 -35.404 10.558 1.00 34.35 H new ATOM 0 HE1 TRP A 35 6.758 -35.032 12.100 1.00 63.23 H new ATOM 0 HE3 TRP A 35 5.074 -35.773 7.046 1.00 14.44 H new ATOM 0 HZ2 TRP A 35 3.979 -34.890 11.825 1.00 24.30 H new ATOM 0 HZ3 TRP A 35 2.742 -35.487 7.779 1.00 34.34 H new ATOM 0 HH2 TRP A 35 2.205 -35.054 10.140 1.00 43.44 H new ATOM 575 N ILE A 36 8.646 -34.051 4.716 1.00 32.32 N ATOM 576 CA ILE A 36 9.700 -33.601 3.797 1.00 22.04 C ATOM 577 C ILE A 36 10.631 -32.576 4.475 1.00 34.33 C ATOM 578 O ILE A 36 10.162 -31.615 5.095 1.00 60.20 O ATOM 579 CB ILE A 36 9.090 -32.961 2.523 1.00 25.21 C ATOM 580 CG1 ILE A 36 8.111 -33.937 1.846 1.00 72.32 C ATOM 581 CG2 ILE A 36 10.192 -32.540 1.548 1.00 3.32 C ATOM 582 CD1 ILE A 36 7.395 -33.350 0.648 1.00 72.24 C ATOM 0 H ILE A 36 7.841 -33.427 4.769 1.00 32.32 H new ATOM 0 HA ILE A 36 10.279 -34.482 3.519 1.00 22.04 H new ATOM 0 HB ILE A 36 8.538 -32.069 2.818 1.00 25.21 H new ATOM 0 HG12 ILE A 36 8.658 -34.826 1.531 1.00 72.32 H new ATOM 0 HG13 ILE A 36 7.371 -34.261 2.578 1.00 72.32 H new ATOM 0 HG21 ILE A 36 9.742 -32.093 0.661 1.00 3.32 H new ATOM 0 HG22 ILE A 36 10.845 -31.812 2.029 1.00 3.32 H new ATOM 0 HG23 ILE A 36 10.775 -33.414 1.258 1.00 3.32 H new ATOM 0 HD11 ILE A 36 6.723 -34.096 0.224 1.00 72.24 H new ATOM 0 HD12 ILE A 36 6.819 -32.478 0.959 1.00 72.24 H new ATOM 0 HD13 ILE A 36 8.127 -33.052 -0.103 1.00 72.24 H new ATOM 594 N GLU A 37 11.946 -32.780 4.352 1.00 0.02 N ATOM 595 CA GLU A 37 12.935 -31.858 4.932 1.00 72.15 C ATOM 596 C GLU A 37 12.882 -30.478 4.253 1.00 21.31 C ATOM 597 O GLU A 37 12.578 -30.366 3.064 1.00 30.45 O ATOM 598 CB GLU A 37 14.351 -32.447 4.828 1.00 31.44 C ATOM 599 CG GLU A 37 14.844 -32.637 3.397 1.00 54.12 C ATOM 600 CD GLU A 37 16.273 -33.159 3.324 1.00 53.20 C ATOM 601 OE1 GLU A 37 17.212 -32.371 3.575 1.00 53.20 O ATOM 602 OE2 GLU A 37 16.464 -34.353 3.005 1.00 53.33 O ATOM 0 H GLU A 37 12.353 -33.574 3.857 1.00 0.02 H new ATOM 0 HA GLU A 37 12.685 -31.726 5.985 1.00 72.15 H new ATOM 0 HB2 GLU A 37 15.045 -31.792 5.356 1.00 31.44 H new ATOM 0 HB3 GLU A 37 14.371 -33.410 5.338 1.00 31.44 H new ATOM 0 HG2 GLU A 37 14.182 -33.332 2.880 1.00 54.12 H new ATOM 0 HG3 GLU A 37 14.783 -31.686 2.868 1.00 54.12 H new ATOM 609 N GLY A 38 13.163 -29.427 5.017 1.00 45.52 N ATOM 610 CA GLY A 38 13.073 -28.066 4.496 1.00 11.52 C ATOM 611 C GLY A 38 11.639 -27.538 4.458 1.00 62.32 C ATOM 612 O GLY A 38 11.372 -26.407 4.871 1.00 61.03 O ATOM 0 H GLY A 38 13.453 -29.490 5.993 1.00 45.52 H new ATOM 0 HA2 GLY A 38 13.682 -27.405 5.113 1.00 11.52 H new ATOM 0 HA3 GLY A 38 13.492 -28.039 3.490 1.00 11.52 H new ATOM 616 N VAL A 39 10.719 -28.365 3.959 1.00 71.14 N ATOM 617 CA VAL A 39 9.305 -27.995 3.841 1.00 10.34 C ATOM 618 C VAL A 39 8.536 -28.194 5.162 1.00 20.33 C ATOM 619 O VAL A 39 8.022 -27.242 5.743 1.00 23.42 O ATOM 620 CB VAL A 39 8.613 -28.816 2.719 1.00 33.41 C ATOM 621 CG1 VAL A 39 7.149 -28.409 2.564 1.00 13.40 C ATOM 622 CG2 VAL A 39 9.363 -28.658 1.397 1.00 23.30 C ATOM 0 H VAL A 39 10.930 -29.306 3.626 1.00 71.14 H new ATOM 0 HA VAL A 39 9.282 -26.934 3.590 1.00 10.34 H new ATOM 0 HB VAL A 39 8.639 -29.868 3.005 1.00 33.41 H new ATOM 0 HG11 VAL A 39 6.689 -29.000 1.772 1.00 13.40 H new ATOM 0 HG12 VAL A 39 6.621 -28.585 3.501 1.00 13.40 H new ATOM 0 HG13 VAL A 39 7.091 -27.351 2.308 1.00 13.40 H new ATOM 0 HG21 VAL A 39 8.863 -29.241 0.623 1.00 23.30 H new ATOM 0 HG22 VAL A 39 9.375 -27.607 1.109 1.00 23.30 H new ATOM 0 HG23 VAL A 39 10.387 -29.014 1.515 1.00 23.30 H new ATOM 632 N HIS A 40 8.453 -29.440 5.635 1.00 12.44 N ATOM 633 CA HIS A 40 7.680 -29.753 6.848 1.00 43.21 C ATOM 634 C HIS A 40 8.540 -29.750 8.124 1.00 33.35 C ATOM 635 O HIS A 40 8.006 -29.595 9.223 1.00 31.41 O ATOM 636 CB HIS A 40 6.947 -31.097 6.687 1.00 23.04 C ATOM 637 CG HIS A 40 5.596 -30.969 6.036 1.00 5.21 C ATOM 638 ND1 HIS A 40 5.355 -30.188 4.925 1.00 20.24 N ATOM 639 CD2 HIS A 40 4.398 -31.510 6.372 1.00 32.42 C ATOM 640 CE1 HIS A 40 4.077 -30.253 4.607 1.00 50.01 C ATOM 641 NE2 HIS A 40 3.472 -31.047 5.468 1.00 30.22 N ATOM 0 H HIS A 40 8.906 -30.245 5.203 1.00 12.44 H new ATOM 0 HA HIS A 40 6.945 -28.957 6.968 1.00 43.21 H new ATOM 0 HB2 HIS A 40 7.565 -31.770 6.093 1.00 23.04 H new ATOM 0 HB3 HIS A 40 6.827 -31.556 7.668 1.00 23.04 H new ATOM 0 HD2 HIS A 40 4.207 -32.180 7.197 1.00 32.42 H new ATOM 0 HE1 HIS A 40 3.605 -29.742 3.781 1.00 50.01 H new ATOM 0 HE2 HIS A 40 2.479 -31.280 5.464 1.00 30.22 H new ATOM 650 N PHE A 41 9.857 -29.905 7.988 1.00 32.13 N ATOM 651 CA PHE A 41 10.766 -29.834 9.147 1.00 23.21 C ATOM 652 C PHE A 41 12.174 -29.385 8.730 1.00 22.30 C ATOM 653 O PHE A 41 12.491 -29.352 7.544 1.00 55.11 O ATOM 654 CB PHE A 41 10.842 -31.193 9.863 1.00 60.41 C ATOM 655 CG PHE A 41 11.511 -32.292 9.068 1.00 61.33 C ATOM 656 CD1 PHE A 41 12.884 -32.492 9.150 1.00 5.31 C ATOM 657 CD2 PHE A 41 10.768 -33.134 8.251 1.00 10.44 C ATOM 658 CE1 PHE A 41 13.498 -33.503 8.438 1.00 74.51 C ATOM 659 CE2 PHE A 41 11.379 -34.149 7.540 1.00 53.31 C ATOM 660 CZ PHE A 41 12.745 -34.332 7.631 1.00 52.24 C ATOM 0 H PHE A 41 10.322 -30.079 7.097 1.00 32.13 H new ATOM 0 HA PHE A 41 10.360 -29.092 9.834 1.00 23.21 H new ATOM 0 HB2 PHE A 41 11.380 -31.064 10.802 1.00 60.41 H new ATOM 0 HB3 PHE A 41 9.831 -31.511 10.117 1.00 60.41 H new ATOM 0 HD1 PHE A 41 13.479 -31.847 9.780 1.00 5.31 H new ATOM 0 HD2 PHE A 41 9.700 -32.994 8.170 1.00 10.44 H new ATOM 0 HE1 PHE A 41 14.566 -33.645 8.512 1.00 74.51 H new ATOM 0 HE2 PHE A 41 10.788 -34.800 6.913 1.00 53.31 H new ATOM 0 HZ PHE A 41 13.223 -35.122 7.072 1.00 52.24 H new ATOM 670 N LYS A 42 13.020 -29.049 9.707 1.00 23.12 N ATOM 671 CA LYS A 42 14.415 -28.680 9.422 1.00 61.53 C ATOM 672 C LYS A 42 15.383 -29.341 10.412 1.00 34.11 C ATOM 673 O LYS A 42 14.977 -29.847 11.463 1.00 61.22 O ATOM 674 CB LYS A 42 14.607 -27.152 9.476 1.00 14.30 C ATOM 675 CG LYS A 42 14.721 -26.585 10.897 1.00 23.04 C ATOM 676 CD LYS A 42 14.877 -25.064 10.904 1.00 12.43 C ATOM 677 CE LYS A 42 16.119 -24.605 10.141 1.00 61.23 C ATOM 678 NZ LYS A 42 17.383 -25.118 10.742 1.00 64.00 N ATOM 0 H LYS A 42 12.770 -29.024 10.695 1.00 23.12 H new ATOM 0 HA LYS A 42 14.637 -29.037 8.416 1.00 61.53 H new ATOM 0 HB2 LYS A 42 15.506 -26.890 8.918 1.00 14.30 H new ATOM 0 HB3 LYS A 42 13.768 -26.673 8.971 1.00 14.30 H new ATOM 0 HG2 LYS A 42 13.834 -26.860 11.468 1.00 23.04 H new ATOM 0 HG3 LYS A 42 15.576 -27.038 11.399 1.00 23.04 H new ATOM 0 HD2 LYS A 42 13.992 -24.608 10.461 1.00 12.43 H new ATOM 0 HD3 LYS A 42 14.935 -24.712 11.934 1.00 12.43 H new ATOM 0 HE2 LYS A 42 16.050 -24.941 9.106 1.00 61.23 H new ATOM 0 HE3 LYS A 42 16.147 -23.516 10.121 1.00 61.23 H new ATOM 0 HZ1 LYS A 42 18.196 -24.737 10.218 1.00 64.00 H new ATOM 0 HZ2 LYS A 42 17.441 -24.819 11.736 1.00 64.00 H new ATOM 0 HZ3 LYS A 42 17.395 -26.157 10.692 1.00 64.00 H new ATOM 692 N ARG A 43 16.666 -29.321 10.064 1.00 2.53 N ATOM 693 CA ARG A 43 17.731 -29.781 10.956 1.00 0.14 C ATOM 694 C ARG A 43 18.187 -28.634 11.873 1.00 62.03 C ATOM 695 O ARG A 43 18.334 -27.495 11.428 1.00 33.35 O ATOM 696 CB ARG A 43 18.909 -30.295 10.120 1.00 34.34 C ATOM 697 CG ARG A 43 18.553 -31.496 9.248 1.00 51.32 C ATOM 698 CD ARG A 43 19.587 -31.733 8.151 1.00 14.53 C ATOM 699 NE ARG A 43 20.938 -31.926 8.679 1.00 53.24 N ATOM 700 CZ ARG A 43 21.913 -32.476 8.009 1.00 5.44 C ATOM 701 NH1 ARG A 43 21.707 -32.958 6.824 1.00 44.25 N ATOM 702 NH2 ARG A 43 23.092 -32.559 8.539 1.00 1.43 N ATOM 0 H ARG A 43 16.998 -28.987 9.159 1.00 2.53 H new ATOM 0 HA ARG A 43 17.354 -30.591 11.580 1.00 0.14 H new ATOM 0 HB2 ARG A 43 19.273 -29.488 9.484 1.00 34.34 H new ATOM 0 HB3 ARG A 43 19.727 -30.569 10.787 1.00 34.34 H new ATOM 0 HG2 ARG A 43 18.476 -32.387 9.872 1.00 51.32 H new ATOM 0 HG3 ARG A 43 17.574 -31.338 8.795 1.00 51.32 H new ATOM 0 HD2 ARG A 43 19.300 -32.610 7.570 1.00 14.53 H new ATOM 0 HD3 ARG A 43 19.587 -30.884 7.468 1.00 14.53 H new ATOM 0 HE ARG A 43 21.129 -31.611 9.630 1.00 53.24 H new ATOM 0 HH11 ARG A 43 20.777 -32.909 6.408 1.00 44.25 H new ATOM 0 HH12 ARG A 43 22.475 -33.386 6.307 1.00 44.25 H new ATOM 0 HH21 ARG A 43 23.256 -32.195 9.478 1.00 1.43 H new ATOM 0 HH22 ARG A 43 23.856 -32.988 8.018 1.00 1.43 H new ATOM 716 N VAL A 44 18.385 -28.927 13.154 1.00 21.43 N ATOM 717 CA VAL A 44 18.782 -27.904 14.132 1.00 12.32 C ATOM 718 C VAL A 44 20.068 -28.301 14.879 1.00 22.33 C ATOM 719 O VAL A 44 20.336 -29.484 15.107 1.00 3.44 O ATOM 720 CB VAL A 44 17.635 -27.639 15.145 1.00 14.31 C ATOM 721 CG1 VAL A 44 18.086 -26.721 16.279 1.00 10.22 C ATOM 722 CG2 VAL A 44 16.421 -27.049 14.427 1.00 25.23 C ATOM 0 H VAL A 44 18.279 -29.863 13.545 1.00 21.43 H new ATOM 0 HA VAL A 44 18.985 -26.987 13.579 1.00 12.32 H new ATOM 0 HB VAL A 44 17.354 -28.594 15.589 1.00 14.31 H new ATOM 0 HG11 VAL A 44 17.257 -26.559 16.967 1.00 10.22 H new ATOM 0 HG12 VAL A 44 18.916 -27.183 16.813 1.00 10.22 H new ATOM 0 HG13 VAL A 44 18.408 -25.765 15.867 1.00 10.22 H new ATOM 0 HG21 VAL A 44 15.624 -26.868 15.148 1.00 25.23 H new ATOM 0 HG22 VAL A 44 16.701 -26.109 13.952 1.00 25.23 H new ATOM 0 HG23 VAL A 44 16.071 -27.749 13.668 1.00 25.23 H new ATOM 732 N SER A 45 20.864 -27.299 15.245 1.00 55.35 N ATOM 733 CA SER A 45 22.130 -27.517 15.963 1.00 15.24 C ATOM 734 C SER A 45 21.904 -28.069 17.382 1.00 45.02 C ATOM 735 O SER A 45 20.978 -27.658 18.079 1.00 63.14 O ATOM 736 CB SER A 45 22.914 -26.201 16.050 1.00 35.15 C ATOM 737 OG SER A 45 24.038 -26.315 16.911 1.00 54.34 O ATOM 0 H SER A 45 20.657 -26.318 15.057 1.00 55.35 H new ATOM 0 HA SER A 45 22.698 -28.258 15.401 1.00 15.24 H new ATOM 0 HB2 SER A 45 23.247 -25.909 15.054 1.00 35.15 H new ATOM 0 HB3 SER A 45 22.258 -25.410 16.411 1.00 35.15 H new ATOM 0 HG SER A 45 24.515 -25.459 16.941 1.00 54.34 H new ATOM 743 N PRO A 46 22.766 -28.999 17.838 1.00 0.03 N ATOM 744 CA PRO A 46 22.691 -29.555 19.201 1.00 33.52 C ATOM 745 C PRO A 46 23.294 -28.617 20.274 1.00 72.10 C ATOM 746 O PRO A 46 23.687 -29.060 21.359 1.00 34.44 O ATOM 747 CB PRO A 46 23.502 -30.846 19.073 1.00 1.04 C ATOM 748 CG PRO A 46 24.532 -30.535 18.038 1.00 73.11 C ATOM 749 CD PRO A 46 23.871 -29.598 17.059 1.00 72.24 C ATOM 0 HA PRO A 46 21.664 -29.703 19.534 1.00 33.52 H new ATOM 0 HB2 PRO A 46 23.962 -31.122 20.022 1.00 1.04 H new ATOM 0 HB3 PRO A 46 22.873 -31.682 18.769 1.00 1.04 H new ATOM 0 HG2 PRO A 46 25.410 -30.072 18.489 1.00 73.11 H new ATOM 0 HG3 PRO A 46 24.871 -31.443 17.540 1.00 73.11 H new ATOM 0 HD2 PRO A 46 24.566 -28.838 16.700 1.00 72.24 H new ATOM 0 HD3 PRO A 46 23.501 -30.130 16.183 1.00 72.24 H new ATOM 757 N SER A 47 23.351 -27.318 19.959 1.00 72.13 N ATOM 758 CA SER A 47 23.828 -26.281 20.893 1.00 63.33 C ATOM 759 C SER A 47 25.323 -26.425 21.232 1.00 4.44 C ATOM 760 O SER A 47 26.158 -25.679 20.713 1.00 64.20 O ATOM 761 CB SER A 47 22.985 -26.270 22.180 1.00 42.04 C ATOM 762 OG SER A 47 21.626 -25.949 21.906 1.00 52.22 O ATOM 0 H SER A 47 23.069 -26.952 19.050 1.00 72.13 H new ATOM 0 HA SER A 47 23.708 -25.326 20.381 1.00 63.33 H new ATOM 0 HB2 SER A 47 23.040 -27.246 22.662 1.00 42.04 H new ATOM 0 HB3 SER A 47 23.398 -25.545 22.881 1.00 42.04 H new ATOM 0 HG SER A 47 21.114 -25.951 22.742 1.00 52.22 H new ATOM 768 N GLY A 48 25.659 -27.381 22.097 1.00 3.35 N ATOM 769 CA GLY A 48 27.050 -27.569 22.517 1.00 62.14 C ATOM 770 C GLY A 48 27.523 -29.017 22.428 1.00 5.33 C ATOM 771 O GLY A 48 28.726 -29.286 22.407 1.00 21.54 O ATOM 0 H GLY A 48 24.996 -28.032 22.518 1.00 3.35 H new ATOM 0 HA2 GLY A 48 27.695 -26.946 21.898 1.00 62.14 H new ATOM 0 HA3 GLY A 48 27.161 -27.221 23.544 1.00 62.14 H new ATOM 775 N GLU A 49 26.584 -29.955 22.375 1.00 3.45 N ATOM 776 CA GLU A 49 26.921 -31.383 22.316 1.00 63.04 C ATOM 777 C GLU A 49 27.059 -31.861 20.865 1.00 42.31 C ATOM 778 O GLU A 49 26.066 -32.067 20.176 1.00 24.44 O ATOM 779 CB GLU A 49 25.852 -32.211 23.041 1.00 32.41 C ATOM 780 CG GLU A 49 25.722 -31.876 24.521 1.00 13.14 C ATOM 781 CD GLU A 49 24.579 -32.616 25.189 1.00 14.20 C ATOM 782 OE1 GLU A 49 24.752 -33.798 25.552 1.00 65.04 O ATOM 783 OE2 GLU A 49 23.499 -32.018 25.365 1.00 60.03 O ATOM 0 H GLU A 49 25.583 -29.758 22.371 1.00 3.45 H new ATOM 0 HA GLU A 49 27.881 -31.522 22.813 1.00 63.04 H new ATOM 0 HB2 GLU A 49 24.889 -32.052 22.555 1.00 32.41 H new ATOM 0 HB3 GLU A 49 26.091 -33.269 22.936 1.00 32.41 H new ATOM 0 HG2 GLU A 49 26.655 -32.122 25.029 1.00 13.14 H new ATOM 0 HG3 GLU A 49 25.571 -30.803 24.635 1.00 13.14 H new ATOM 790 N LYS A 50 28.297 -32.024 20.408 1.00 34.15 N ATOM 791 CA LYS A 50 28.568 -32.468 19.034 1.00 62.11 C ATOM 792 C LYS A 50 27.955 -33.855 18.751 1.00 2.12 C ATOM 793 O LYS A 50 28.537 -34.887 19.091 1.00 71.34 O ATOM 794 CB LYS A 50 30.083 -32.504 18.784 1.00 50.43 C ATOM 795 CG LYS A 50 30.462 -32.853 17.346 1.00 74.35 C ATOM 796 CD LYS A 50 31.974 -32.953 17.168 1.00 41.22 C ATOM 797 CE LYS A 50 32.678 -31.656 17.547 1.00 71.45 C ATOM 798 NZ LYS A 50 34.143 -31.741 17.321 1.00 73.30 N ATOM 0 H LYS A 50 29.134 -31.856 20.966 1.00 34.15 H new ATOM 0 HA LYS A 50 28.102 -31.753 18.356 1.00 62.11 H new ATOM 0 HB2 LYS A 50 30.507 -31.532 19.036 1.00 50.43 H new ATOM 0 HB3 LYS A 50 30.536 -33.233 19.456 1.00 50.43 H new ATOM 0 HG2 LYS A 50 30.000 -33.800 17.068 1.00 74.35 H new ATOM 0 HG3 LYS A 50 30.066 -32.094 16.671 1.00 74.35 H new ATOM 0 HD2 LYS A 50 32.359 -33.768 17.782 1.00 41.22 H new ATOM 0 HD3 LYS A 50 32.202 -33.200 16.131 1.00 41.22 H new ATOM 0 HE2 LYS A 50 32.266 -30.834 16.962 1.00 71.45 H new ATOM 0 HE3 LYS A 50 32.484 -31.429 18.595 1.00 71.45 H new ATOM 0 HZ1 LYS A 50 34.589 -30.841 17.590 1.00 73.30 H new ATOM 0 HZ2 LYS A 50 34.539 -32.510 17.899 1.00 73.30 H new ATOM 0 HZ3 LYS A 50 34.329 -31.933 16.316 1.00 73.30 H new ATOM 812 N THR A 51 26.771 -33.871 18.141 1.00 33.23 N ATOM 813 CA THR A 51 26.079 -35.129 17.820 1.00 32.03 C ATOM 814 C THR A 51 26.047 -35.397 16.311 1.00 14.33 C ATOM 815 O THR A 51 26.252 -34.495 15.494 1.00 72.12 O ATOM 816 CB THR A 51 24.616 -35.127 18.325 1.00 22.42 C ATOM 817 OG1 THR A 51 23.861 -34.122 17.629 1.00 3.14 O ATOM 818 CG2 THR A 51 24.543 -34.876 19.829 1.00 2.03 C ATOM 0 H THR A 51 26.267 -33.031 17.857 1.00 33.23 H new ATOM 0 HA THR A 51 26.647 -35.910 18.324 1.00 32.03 H new ATOM 0 HB THR A 51 24.192 -36.111 18.126 1.00 22.42 H new ATOM 0 HG1 THR A 51 23.076 -34.534 17.210 1.00 3.14 H new ATOM 0 HG21 THR A 51 23.501 -34.881 20.149 1.00 2.03 H new ATOM 0 HG22 THR A 51 25.088 -35.659 20.356 1.00 2.03 H new ATOM 0 HG23 THR A 51 24.988 -33.908 20.058 1.00 2.03 H new ATOM 826 N LEU A 52 25.777 -36.650 15.950 1.00 62.54 N ATOM 827 CA LEU A 52 25.572 -37.038 14.550 1.00 71.22 C ATOM 828 C LEU A 52 24.069 -37.063 14.220 1.00 31.25 C ATOM 829 O LEU A 52 23.646 -37.603 13.197 1.00 72.44 O ATOM 830 CB LEU A 52 26.200 -38.419 14.270 1.00 65.32 C ATOM 831 CG LEU A 52 27.737 -38.506 14.402 1.00 60.40 C ATOM 832 CD1 LEU A 52 28.421 -37.436 13.550 1.00 35.14 C ATOM 833 CD2 LEU A 52 28.177 -38.400 15.865 1.00 20.42 C ATOM 0 H LEU A 52 25.694 -37.422 16.612 1.00 62.54 H new ATOM 0 HA LEU A 52 26.062 -36.301 13.914 1.00 71.22 H new ATOM 0 HB2 LEU A 52 25.755 -39.143 14.953 1.00 65.32 H new ATOM 0 HB3 LEU A 52 25.925 -38.723 13.260 1.00 65.32 H new ATOM 0 HG LEU A 52 28.045 -39.484 14.031 1.00 60.40 H new ATOM 0 HD11 LEU A 52 29.502 -37.519 13.661 1.00 35.14 H new ATOM 0 HD12 LEU A 52 28.152 -37.577 12.503 1.00 35.14 H new ATOM 0 HD13 LEU A 52 28.097 -36.448 13.878 1.00 35.14 H new ATOM 0 HD21 LEU A 52 29.263 -38.465 15.924 1.00 20.42 H new ATOM 0 HD22 LEU A 52 27.848 -37.446 16.276 1.00 20.42 H new ATOM 0 HD23 LEU A 52 27.734 -39.214 16.438 1.00 20.42 H new ATOM 845 N ARG A 53 23.274 -36.458 15.105 1.00 64.32 N ATOM 846 CA ARG A 53 21.816 -36.405 14.964 1.00 51.23 C ATOM 847 C ARG A 53 21.324 -34.950 14.954 1.00 13.15 C ATOM 848 O ARG A 53 21.264 -34.301 16.001 1.00 12.00 O ATOM 849 CB ARG A 53 21.142 -37.159 16.125 1.00 62.41 C ATOM 850 CG ARG A 53 21.502 -38.640 16.221 1.00 51.24 C ATOM 851 CD ARG A 53 20.955 -39.450 15.050 1.00 1.12 C ATOM 852 NE ARG A 53 21.146 -40.885 15.252 1.00 60.14 N ATOM 853 CZ ARG A 53 20.593 -41.813 14.520 1.00 63.33 C ATOM 854 NH1 ARG A 53 19.840 -41.507 13.514 1.00 13.44 N ATOM 855 NH2 ARG A 53 20.790 -43.056 14.803 1.00 11.53 N ATOM 0 H ARG A 53 23.623 -35.990 15.941 1.00 64.32 H new ATOM 0 HA ARG A 53 21.551 -36.877 14.018 1.00 51.23 H new ATOM 0 HB2 ARG A 53 21.413 -36.672 17.062 1.00 62.41 H new ATOM 0 HB3 ARG A 53 20.061 -37.068 16.020 1.00 62.41 H new ATOM 0 HG2 ARG A 53 22.586 -38.746 16.257 1.00 51.24 H new ATOM 0 HG3 ARG A 53 21.111 -39.046 17.154 1.00 51.24 H new ATOM 0 HD2 ARG A 53 19.893 -39.238 14.925 1.00 1.12 H new ATOM 0 HD3 ARG A 53 21.452 -39.142 14.130 1.00 1.12 H new ATOM 0 HE ARG A 53 21.753 -41.181 16.017 1.00 60.14 H new ATOM 0 HH11 ARG A 53 19.671 -40.528 13.283 1.00 13.44 H new ATOM 0 HH12 ARG A 53 19.415 -42.245 12.952 1.00 13.44 H new ATOM 0 HH21 ARG A 53 21.377 -43.311 15.597 1.00 11.53 H new ATOM 0 HH22 ARG A 53 20.359 -43.783 14.233 1.00 11.53 H new ATOM 869 N GLY A 54 21.005 -34.434 13.770 1.00 44.12 N ATOM 870 CA GLY A 54 20.450 -33.090 13.665 1.00 14.42 C ATOM 871 C GLY A 54 19.082 -32.955 14.328 1.00 65.02 C ATOM 872 O GLY A 54 18.104 -33.557 13.872 1.00 72.21 O ATOM 0 H GLY A 54 21.120 -34.920 12.881 1.00 44.12 H new ATOM 0 HA2 GLY A 54 21.140 -32.381 14.122 1.00 14.42 H new ATOM 0 HA3 GLY A 54 20.366 -32.819 12.613 1.00 14.42 H new ATOM 876 N THR A 55 19.012 -32.165 15.403 1.00 2.52 N ATOM 877 CA THR A 55 17.758 -31.960 16.143 1.00 53.24 C ATOM 878 C THR A 55 16.617 -31.555 15.199 1.00 71.11 C ATOM 879 O THR A 55 16.659 -30.500 14.572 1.00 22.51 O ATOM 880 CB THR A 55 17.916 -30.878 17.239 1.00 43.45 C ATOM 881 OG1 THR A 55 19.054 -31.175 18.062 1.00 2.04 O ATOM 882 CG2 THR A 55 16.673 -30.797 18.119 1.00 22.40 C ATOM 0 H THR A 55 19.809 -31.655 15.783 1.00 2.52 H new ATOM 0 HA THR A 55 17.514 -32.911 16.617 1.00 53.24 H new ATOM 0 HB THR A 55 18.056 -29.918 16.741 1.00 43.45 H new ATOM 0 HG1 THR A 55 19.148 -30.485 18.752 1.00 2.04 H new ATOM 0 HG21 THR A 55 16.815 -30.028 18.879 1.00 22.40 H new ATOM 0 HG22 THR A 55 15.808 -30.545 17.505 1.00 22.40 H new ATOM 0 HG23 THR A 55 16.507 -31.759 18.603 1.00 22.40 H new ATOM 890 N THR A 56 15.601 -32.404 15.097 1.00 10.55 N ATOM 891 CA THR A 56 14.536 -32.218 14.103 1.00 74.24 C ATOM 892 C THR A 56 13.346 -31.411 14.651 1.00 45.24 C ATOM 893 O THR A 56 12.592 -31.888 15.502 1.00 0.11 O ATOM 894 CB THR A 56 14.032 -33.584 13.581 1.00 33.24 C ATOM 895 OG1 THR A 56 15.137 -34.372 13.097 1.00 23.31 O ATOM 896 CG2 THR A 56 13.012 -33.412 12.462 1.00 3.23 C ATOM 0 H THR A 56 15.487 -33.228 15.687 1.00 10.55 H new ATOM 0 HA THR A 56 14.976 -31.647 13.285 1.00 74.24 H new ATOM 0 HB THR A 56 13.550 -34.095 14.415 1.00 33.24 H new ATOM 0 HG1 THR A 56 14.806 -35.235 12.771 1.00 23.31 H new ATOM 0 HG21 THR A 56 12.679 -34.392 12.119 1.00 3.23 H new ATOM 0 HG22 THR A 56 12.156 -32.848 12.833 1.00 3.23 H new ATOM 0 HG23 THR A 56 13.470 -32.873 11.632 1.00 3.23 H new ATOM 904 N TRP A 57 13.189 -30.184 14.150 1.00 34.24 N ATOM 905 CA TRP A 57 12.053 -29.322 14.518 1.00 1.24 C ATOM 906 C TRP A 57 11.011 -29.269 13.386 1.00 62.35 C ATOM 907 O TRP A 57 11.347 -28.993 12.231 1.00 74.02 O ATOM 908 CB TRP A 57 12.536 -27.900 14.851 1.00 24.41 C ATOM 909 CG TRP A 57 13.272 -27.793 16.161 1.00 4.35 C ATOM 910 CD1 TRP A 57 14.304 -28.578 16.596 1.00 3.35 C ATOM 911 CD2 TRP A 57 13.034 -26.836 17.205 1.00 31.50 C ATOM 912 NE1 TRP A 57 14.718 -28.167 17.840 1.00 74.24 N ATOM 913 CE2 TRP A 57 13.955 -27.103 18.235 1.00 32.52 C ATOM 914 CE3 TRP A 57 12.130 -25.781 17.371 1.00 44.33 C ATOM 915 CZ2 TRP A 57 14.002 -26.353 19.408 1.00 3.32 C ATOM 916 CZ3 TRP A 57 12.178 -25.038 18.536 1.00 33.25 C ATOM 917 CH2 TRP A 57 13.106 -25.329 19.542 1.00 54.01 C ATOM 0 H TRP A 57 13.835 -29.759 13.485 1.00 34.24 H new ATOM 0 HA TRP A 57 11.583 -29.752 15.403 1.00 1.24 H new ATOM 0 HB2 TRP A 57 13.189 -27.552 14.050 1.00 24.41 H new ATOM 0 HB3 TRP A 57 11.676 -27.231 14.874 1.00 24.41 H new ATOM 0 HD1 TRP A 57 14.731 -29.401 16.042 1.00 3.35 H new ATOM 0 HE1 TRP A 57 15.473 -28.588 18.382 1.00 74.24 H new ATOM 0 HE3 TRP A 57 11.407 -25.551 16.602 1.00 44.33 H new ATOM 0 HZ2 TRP A 57 14.721 -26.573 20.184 1.00 3.32 H new ATOM 0 HZ3 TRP A 57 11.487 -24.219 18.672 1.00 33.25 H new ATOM 0 HH2 TRP A 57 13.115 -24.733 20.442 1.00 54.01 H new ATOM 928 N TYR A 58 9.751 -29.535 13.727 1.00 55.15 N ATOM 929 CA TYR A 58 8.658 -29.547 12.746 1.00 13.20 C ATOM 930 C TYR A 58 7.986 -28.169 12.614 1.00 12.03 C ATOM 931 O TYR A 58 8.045 -27.345 13.527 1.00 51.15 O ATOM 932 CB TYR A 58 7.582 -30.561 13.156 1.00 3.21 C ATOM 933 CG TYR A 58 8.071 -31.982 13.377 1.00 62.42 C ATOM 934 CD1 TYR A 58 9.156 -32.498 12.677 1.00 63.13 C ATOM 935 CD2 TYR A 58 7.424 -32.815 14.281 1.00 54.13 C ATOM 936 CE1 TYR A 58 9.579 -33.799 12.879 1.00 23.41 C ATOM 937 CE2 TYR A 58 7.841 -34.111 14.487 1.00 60.12 C ATOM 938 CZ TYR A 58 8.918 -34.599 13.786 1.00 74.25 C ATOM 939 OH TYR A 58 9.328 -35.893 13.987 1.00 25.53 O ATOM 0 H TYR A 58 9.457 -29.747 14.680 1.00 55.15 H new ATOM 0 HA TYR A 58 9.102 -29.821 11.789 1.00 13.20 H new ATOM 0 HB2 TYR A 58 7.109 -30.211 14.074 1.00 3.21 H new ATOM 0 HB3 TYR A 58 6.810 -30.577 12.386 1.00 3.21 H new ATOM 0 HD1 TYR A 58 9.676 -31.874 11.965 1.00 63.13 H new ATOM 0 HD2 TYR A 58 6.576 -32.438 14.834 1.00 54.13 H new ATOM 0 HE1 TYR A 58 10.424 -34.186 12.328 1.00 23.41 H new ATOM 0 HE2 TYR A 58 7.324 -34.741 15.196 1.00 60.12 H new ATOM 0 HH TYR A 58 10.295 -35.909 14.144 1.00 25.53 H new ATOM 949 N ASN A 59 7.331 -27.938 11.475 1.00 73.14 N ATOM 950 CA ASN A 59 6.486 -26.752 11.287 1.00 3.01 C ATOM 951 C ASN A 59 5.023 -27.081 11.610 1.00 74.20 C ATOM 952 O ASN A 59 4.370 -27.819 10.864 1.00 1.13 O ATOM 953 CB ASN A 59 6.568 -26.241 9.843 1.00 3.42 C ATOM 954 CG ASN A 59 7.951 -25.763 9.462 1.00 73.25 C ATOM 955 OD1 ASN A 59 8.759 -26.657 8.937 1.00 63.25 O flip ATOM 956 ND2 ASN A 59 8.288 -24.598 9.634 1.00 42.41 N flip ATOM 0 H ASN A 59 7.368 -28.557 10.665 1.00 73.14 H new ATOM 0 HA ASN A 59 6.850 -25.979 11.963 1.00 3.01 H new ATOM 0 HB2 ASN A 59 6.265 -27.038 9.164 1.00 3.42 H new ATOM 0 HB3 ASN A 59 5.858 -25.424 9.712 1.00 3.42 H new ATOM 0 HD21 ASN A 59 7.633 -23.933 10.045 1.00 42.41 H new ATOM 0 HD22 ASN A 59 9.224 -24.293 9.367 1.00 42.41 H new ATOM 963 N TYR A 60 4.505 -26.538 12.711 1.00 34.10 N ATOM 964 CA TYR A 60 3.102 -26.759 13.087 1.00 64.41 C ATOM 965 C TYR A 60 2.129 -26.421 11.932 1.00 12.21 C ATOM 966 O TYR A 60 1.265 -27.234 11.604 1.00 63.32 O ATOM 967 CB TYR A 60 2.741 -25.962 14.350 1.00 40.30 C ATOM 968 CG TYR A 60 1.265 -26.015 14.707 1.00 72.02 C ATOM 969 CD1 TYR A 60 0.661 -27.213 15.073 1.00 43.42 C ATOM 970 CD2 TYR A 60 0.477 -24.869 14.673 1.00 51.42 C ATOM 971 CE1 TYR A 60 -0.682 -27.266 15.393 1.00 3.33 C ATOM 972 CE2 TYR A 60 -0.865 -24.915 14.995 1.00 63.20 C ATOM 973 CZ TYR A 60 -1.439 -26.113 15.353 1.00 13.42 C ATOM 974 OH TYR A 60 -2.778 -26.159 15.672 1.00 72.25 O ATOM 0 H TYR A 60 5.028 -25.946 13.356 1.00 34.10 H new ATOM 0 HA TYR A 60 2.993 -27.822 13.303 1.00 64.41 H new ATOM 0 HB2 TYR A 60 3.322 -26.345 15.189 1.00 40.30 H new ATOM 0 HB3 TYR A 60 3.034 -24.922 14.208 1.00 40.30 H new ATOM 0 HD1 TYR A 60 1.251 -28.117 15.108 1.00 43.42 H new ATOM 0 HD2 TYR A 60 0.923 -23.927 14.390 1.00 51.42 H new ATOM 0 HE1 TYR A 60 -1.137 -28.205 15.673 1.00 3.33 H new ATOM 0 HE2 TYR A 60 -1.461 -24.015 14.966 1.00 63.20 H new ATOM 0 HH TYR A 60 -3.164 -25.261 15.595 1.00 72.25 H new ATOM 984 N PRO A 61 2.251 -25.227 11.289 1.00 74.01 N ATOM 985 CA PRO A 61 1.394 -24.864 10.139 1.00 42.35 C ATOM 986 C PRO A 61 1.409 -25.917 9.011 1.00 3.12 C ATOM 987 O PRO A 61 0.369 -26.244 8.440 1.00 1.41 O ATOM 988 CB PRO A 61 2.001 -23.540 9.647 1.00 3.24 C ATOM 989 CG PRO A 61 2.670 -22.961 10.848 1.00 54.55 C ATOM 990 CD PRO A 61 3.193 -24.134 11.631 1.00 40.43 C ATOM 0 HA PRO A 61 0.346 -24.793 10.430 1.00 42.35 H new ATOM 0 HB2 PRO A 61 2.713 -23.707 8.839 1.00 3.24 H new ATOM 0 HB3 PRO A 61 1.232 -22.871 9.261 1.00 3.24 H new ATOM 0 HG2 PRO A 61 3.480 -22.291 10.560 1.00 54.55 H new ATOM 0 HG3 PRO A 61 1.968 -22.376 11.442 1.00 54.55 H new ATOM 0 HD2 PRO A 61 4.216 -24.382 11.347 1.00 40.43 H new ATOM 0 HD3 PRO A 61 3.200 -23.931 12.702 1.00 40.43 H new ATOM 998 N GLU A 62 2.591 -26.459 8.710 1.00 32.01 N ATOM 999 CA GLU A 62 2.742 -27.443 7.626 1.00 1.23 C ATOM 1000 C GLU A 62 2.106 -28.802 7.964 1.00 55.51 C ATOM 1001 O GLU A 62 1.575 -29.485 7.082 1.00 32.22 O ATOM 1002 CB GLU A 62 4.226 -27.633 7.280 1.00 32.14 C ATOM 1003 CG GLU A 62 4.828 -26.471 6.498 1.00 52.44 C ATOM 1004 CD GLU A 62 4.178 -26.296 5.132 1.00 14.33 C ATOM 1005 OE1 GLU A 62 4.538 -27.046 4.199 1.00 71.11 O ATOM 1006 OE2 GLU A 62 3.302 -25.416 4.986 1.00 34.12 O ATOM 0 H GLU A 62 3.458 -26.236 9.198 1.00 32.01 H new ATOM 0 HA GLU A 62 2.210 -27.043 6.763 1.00 1.23 H new ATOM 0 HB2 GLU A 62 4.790 -27.769 8.203 1.00 32.14 H new ATOM 0 HB3 GLU A 62 4.340 -28.548 6.699 1.00 32.14 H new ATOM 0 HG2 GLU A 62 4.714 -25.552 7.072 1.00 52.44 H new ATOM 0 HG3 GLU A 62 5.898 -26.637 6.370 1.00 52.44 H new ATOM 1013 N ILE A 63 2.180 -29.205 9.229 1.00 44.42 N ATOM 1014 CA ILE A 63 1.567 -30.464 9.670 1.00 3.32 C ATOM 1015 C ILE A 63 0.049 -30.307 9.855 1.00 73.02 C ATOM 1016 O ILE A 63 -0.724 -31.180 9.462 1.00 21.31 O ATOM 1017 CB ILE A 63 2.220 -30.981 10.975 1.00 11.54 C ATOM 1018 CG1 ILE A 63 3.720 -31.227 10.733 1.00 75.52 C ATOM 1019 CG2 ILE A 63 1.527 -32.258 11.468 1.00 1.52 C ATOM 1020 CD1 ILE A 63 4.468 -31.727 11.945 1.00 42.43 C ATOM 0 H ILE A 63 2.655 -28.685 9.967 1.00 44.42 H new ATOM 0 HA ILE A 63 1.742 -31.203 8.888 1.00 3.32 H new ATOM 0 HB ILE A 63 2.104 -30.227 11.753 1.00 11.54 H new ATOM 0 HG12 ILE A 63 3.832 -31.951 9.926 1.00 75.52 H new ATOM 0 HG13 ILE A 63 4.179 -30.298 10.394 1.00 75.52 H new ATOM 0 HG21 ILE A 63 2.005 -32.600 12.386 1.00 1.52 H new ATOM 0 HG22 ILE A 63 0.475 -32.049 11.663 1.00 1.52 H new ATOM 0 HG23 ILE A 63 1.608 -33.033 10.706 1.00 1.52 H new ATOM 0 HD11 ILE A 63 5.517 -31.875 11.690 1.00 42.43 H new ATOM 0 HD12 ILE A 63 4.390 -30.995 12.749 1.00 42.43 H new ATOM 0 HD13 ILE A 63 4.038 -32.673 12.273 1.00 42.43 H new ATOM 1032 N ASN A 64 -0.371 -29.183 10.435 1.00 11.01 N ATOM 1033 CA ASN A 64 -1.795 -28.851 10.546 1.00 25.43 C ATOM 1034 C ASN A 64 -2.433 -28.762 9.147 1.00 2.13 C ATOM 1035 O ASN A 64 -3.551 -29.233 8.922 1.00 44.21 O ATOM 1036 CB ASN A 64 -1.964 -27.529 11.308 1.00 61.04 C ATOM 1037 CG ASN A 64 -3.415 -27.103 11.435 1.00 4.23 C ATOM 1038 OD1 ASN A 64 -3.923 -26.333 10.626 1.00 50.43 O ATOM 1039 ND2 ASN A 64 -4.100 -27.609 12.440 1.00 3.11 N ATOM 0 H ASN A 64 0.254 -28.484 10.837 1.00 11.01 H new ATOM 0 HA ASN A 64 -2.304 -29.639 11.101 1.00 25.43 H new ATOM 0 HB2 ASN A 64 -1.532 -27.631 12.303 1.00 61.04 H new ATOM 0 HB3 ASN A 64 -1.404 -26.746 10.796 1.00 61.04 H new ATOM 0 HD21 ASN A 64 -5.082 -27.363 12.563 1.00 3.11 H new ATOM 0 HD22 ASN A 64 -3.648 -28.247 13.095 1.00 3.11 H new ATOM 1046 N LYS A 65 -1.702 -28.163 8.208 1.00 72.42 N ATOM 1047 CA LYS A 65 -2.111 -28.125 6.800 1.00 63.34 C ATOM 1048 C LYS A 65 -2.253 -29.544 6.226 1.00 53.03 C ATOM 1049 O LYS A 65 -3.222 -29.852 5.530 1.00 21.04 O ATOM 1050 CB LYS A 65 -1.079 -27.338 5.985 1.00 52.41 C ATOM 1051 CG LYS A 65 -1.402 -27.218 4.498 1.00 14.23 C ATOM 1052 CD LYS A 65 -0.278 -26.514 3.743 1.00 63.44 C ATOM 1053 CE LYS A 65 -0.030 -25.105 4.270 1.00 12.24 C ATOM 1054 NZ LYS A 65 1.139 -24.465 3.613 1.00 53.30 N ATOM 0 H LYS A 65 -0.816 -27.693 8.397 1.00 72.42 H new ATOM 0 HA LYS A 65 -3.082 -27.633 6.738 1.00 63.34 H new ATOM 0 HB2 LYS A 65 -0.990 -26.337 6.406 1.00 52.41 H new ATOM 0 HB3 LYS A 65 -0.106 -27.818 6.095 1.00 52.41 H new ATOM 0 HG2 LYS A 65 -1.560 -28.211 4.077 1.00 14.23 H new ATOM 0 HG3 LYS A 65 -2.332 -26.665 4.369 1.00 14.23 H new ATOM 0 HD2 LYS A 65 0.638 -27.099 3.828 1.00 63.44 H new ATOM 0 HD3 LYS A 65 -0.528 -26.466 2.683 1.00 63.44 H new ATOM 0 HE2 LYS A 65 -0.918 -24.495 4.106 1.00 12.24 H new ATOM 0 HE3 LYS A 65 0.135 -25.144 5.347 1.00 12.24 H new ATOM 0 HZ1 LYS A 65 0.940 -23.456 3.457 1.00 53.30 H new ATOM 0 HZ2 LYS A 65 1.976 -24.563 4.222 1.00 53.30 H new ATOM 0 HZ3 LYS A 65 1.320 -24.927 2.699 1.00 53.30 H new ATOM 1068 N PHE A 66 -1.275 -30.401 6.525 1.00 13.22 N ATOM 1069 CA PHE A 66 -1.298 -31.800 6.078 1.00 61.34 C ATOM 1070 C PHE A 66 -2.545 -32.532 6.603 1.00 20.13 C ATOM 1071 O PHE A 66 -3.215 -33.244 5.858 1.00 54.34 O ATOM 1072 CB PHE A 66 -0.022 -32.521 6.540 1.00 50.24 C ATOM 1073 CG PHE A 66 0.023 -33.987 6.178 1.00 35.52 C ATOM 1074 CD1 PHE A 66 0.256 -34.387 4.870 1.00 53.32 C ATOM 1075 CD2 PHE A 66 -0.171 -34.965 7.148 1.00 71.34 C ATOM 1076 CE1 PHE A 66 0.295 -35.728 4.536 1.00 72.12 C ATOM 1077 CE2 PHE A 66 -0.134 -36.307 6.818 1.00 33.15 C ATOM 1078 CZ PHE A 66 0.100 -36.689 5.512 1.00 21.12 C ATOM 0 H PHE A 66 -0.454 -30.152 7.076 1.00 13.22 H new ATOM 0 HA PHE A 66 -1.339 -31.809 4.989 1.00 61.34 H new ATOM 0 HB2 PHE A 66 0.843 -32.023 6.102 1.00 50.24 H new ATOM 0 HB3 PHE A 66 0.067 -32.422 7.622 1.00 50.24 H new ATOM 0 HD1 PHE A 66 0.409 -33.642 4.103 1.00 53.32 H new ATOM 0 HD2 PHE A 66 -0.353 -34.672 8.172 1.00 71.34 H new ATOM 0 HE1 PHE A 66 0.478 -36.025 3.514 1.00 72.12 H new ATOM 0 HE2 PHE A 66 -0.288 -37.056 7.581 1.00 33.15 H new ATOM 0 HZ PHE A 66 0.131 -37.737 5.253 1.00 21.12 H new ATOM 1088 N ILE A 67 -2.846 -32.349 7.889 1.00 4.20 N ATOM 1089 CA ILE A 67 -4.054 -32.923 8.496 1.00 65.21 C ATOM 1090 C ILE A 67 -5.323 -32.413 7.789 1.00 72.34 C ATOM 1091 O ILE A 67 -6.198 -33.192 7.416 1.00 1.33 O ATOM 1092 CB ILE A 67 -4.133 -32.581 10.009 1.00 13.21 C ATOM 1093 CG1 ILE A 67 -2.911 -33.152 10.752 1.00 21.34 C ATOM 1094 CG2 ILE A 67 -5.429 -33.115 10.620 1.00 25.22 C ATOM 1095 CD1 ILE A 67 -2.861 -32.805 12.227 1.00 5.03 C ATOM 0 H ILE A 67 -2.271 -31.807 8.534 1.00 4.20 H new ATOM 0 HA ILE A 67 -3.994 -34.005 8.379 1.00 65.21 H new ATOM 0 HB ILE A 67 -4.129 -31.496 10.115 1.00 13.21 H new ATOM 0 HG12 ILE A 67 -2.910 -34.237 10.645 1.00 21.34 H new ATOM 0 HG13 ILE A 67 -2.004 -32.783 10.273 1.00 21.34 H new ATOM 0 HG21 ILE A 67 -5.462 -32.864 11.680 1.00 25.22 H new ATOM 0 HG22 ILE A 67 -6.283 -32.665 10.113 1.00 25.22 H new ATOM 0 HG23 ILE A 67 -5.467 -34.198 10.503 1.00 25.22 H new ATOM 0 HD11 ILE A 67 -1.970 -33.246 12.674 1.00 5.03 H new ATOM 0 HD12 ILE A 67 -2.829 -31.722 12.345 1.00 5.03 H new ATOM 0 HD13 ILE A 67 -3.748 -33.198 12.723 1.00 5.03 H new ATOM 1107 N ARG A 68 -5.403 -31.099 7.598 1.00 1.35 N ATOM 1108 CA ARG A 68 -6.533 -30.471 6.898 1.00 32.11 C ATOM 1109 C ARG A 68 -6.739 -31.096 5.506 1.00 11.40 C ATOM 1110 O ARG A 68 -7.845 -31.516 5.158 1.00 13.13 O ATOM 1111 CB ARG A 68 -6.274 -28.952 6.782 1.00 73.23 C ATOM 1112 CG ARG A 68 -7.441 -28.101 6.253 1.00 31.31 C ATOM 1113 CD ARG A 68 -7.674 -28.267 4.749 1.00 45.41 C ATOM 1114 NE ARG A 68 -8.394 -27.131 4.178 1.00 41.42 N ATOM 1115 CZ ARG A 68 -8.941 -27.122 2.993 1.00 34.24 C ATOM 1116 NH1 ARG A 68 -9.017 -28.207 2.287 1.00 74.24 N ATOM 1117 NH2 ARG A 68 -9.439 -26.019 2.530 1.00 60.21 N ATOM 0 H ARG A 68 -4.695 -30.439 7.919 1.00 1.35 H new ATOM 0 HA ARG A 68 -7.445 -30.641 7.470 1.00 32.11 H new ATOM 0 HB2 ARG A 68 -5.995 -28.576 7.766 1.00 73.23 H new ATOM 0 HB3 ARG A 68 -5.416 -28.800 6.128 1.00 73.23 H new ATOM 0 HG2 ARG A 68 -8.352 -28.372 6.787 1.00 31.31 H new ATOM 0 HG3 ARG A 68 -7.244 -27.051 6.470 1.00 31.31 H new ATOM 0 HD2 ARG A 68 -6.715 -28.379 4.244 1.00 45.41 H new ATOM 0 HD3 ARG A 68 -8.238 -29.182 4.568 1.00 45.41 H new ATOM 0 HE ARG A 68 -8.475 -26.287 4.745 1.00 41.42 H new ATOM 0 HH11 ARG A 68 -8.647 -29.083 2.656 1.00 74.24 H new ATOM 0 HH12 ARG A 68 -9.447 -28.185 1.362 1.00 74.24 H new ATOM 0 HH21 ARG A 68 -9.401 -25.168 3.091 1.00 60.21 H new ATOM 0 HH22 ARG A 68 -9.869 -26.002 1.605 1.00 60.21 H new ATOM 1131 N ASP A 69 -5.665 -31.152 4.721 1.00 13.53 N ATOM 1132 CA ASP A 69 -5.724 -31.654 3.343 1.00 32.34 C ATOM 1133 C ASP A 69 -6.009 -33.167 3.305 1.00 35.33 C ATOM 1134 O ASP A 69 -6.763 -33.646 2.457 1.00 3.31 O ATOM 1135 CB ASP A 69 -4.406 -31.335 2.624 1.00 44.41 C ATOM 1136 CG ASP A 69 -4.527 -31.417 1.111 1.00 14.13 C ATOM 1137 OD1 ASP A 69 -4.871 -30.391 0.484 1.00 61.54 O ATOM 1138 OD2 ASP A 69 -4.276 -32.498 0.540 1.00 20.34 O ATOM 0 H ASP A 69 -4.735 -30.854 5.016 1.00 13.53 H new ATOM 0 HA ASP A 69 -6.546 -31.156 2.830 1.00 32.34 H new ATOM 0 HB2 ASP A 69 -4.077 -30.334 2.904 1.00 44.41 H new ATOM 0 HB3 ASP A 69 -3.636 -32.029 2.961 1.00 44.41 H new ATOM 1143 N SER A 70 -5.396 -33.912 4.228 1.00 51.42 N ATOM 1144 CA SER A 70 -5.615 -35.366 4.337 1.00 1.52 C ATOM 1145 C SER A 70 -7.070 -35.687 4.700 1.00 52.42 C ATOM 1146 O SER A 70 -7.715 -36.516 4.053 1.00 14.14 O ATOM 1147 CB SER A 70 -4.676 -35.982 5.385 1.00 52.01 C ATOM 1148 OG SER A 70 -4.926 -37.370 5.550 1.00 54.44 O ATOM 0 H SER A 70 -4.742 -33.536 4.914 1.00 51.42 H new ATOM 0 HA SER A 70 -5.397 -35.800 3.361 1.00 1.52 H new ATOM 0 HB2 SER A 70 -3.640 -35.831 5.082 1.00 52.01 H new ATOM 0 HB3 SER A 70 -4.807 -35.471 6.339 1.00 52.01 H new ATOM 0 HG SER A 70 -4.313 -37.735 6.222 1.00 54.44 H new ATOM 1154 N LEU A 71 -7.584 -35.027 5.739 1.00 32.53 N ATOM 1155 CA LEU A 71 -8.980 -35.199 6.156 1.00 11.44 C ATOM 1156 C LEU A 71 -9.952 -34.777 5.045 1.00 73.32 C ATOM 1157 O LEU A 71 -10.934 -35.470 4.775 1.00 21.14 O ATOM 1158 CB LEU A 71 -9.258 -34.414 7.452 1.00 35.43 C ATOM 1159 CG LEU A 71 -8.926 -35.159 8.763 1.00 22.23 C ATOM 1160 CD1 LEU A 71 -9.842 -36.362 8.939 1.00 62.21 C ATOM 1161 CD2 LEU A 71 -7.465 -35.602 8.796 1.00 72.43 C ATOM 0 H LEU A 71 -7.055 -34.367 6.309 1.00 32.53 H new ATOM 0 HA LEU A 71 -9.142 -36.259 6.352 1.00 11.44 H new ATOM 0 HB2 LEU A 71 -8.684 -33.488 7.425 1.00 35.43 H new ATOM 0 HB3 LEU A 71 -10.312 -34.136 7.469 1.00 35.43 H new ATOM 0 HG LEU A 71 -9.088 -34.466 9.588 1.00 22.23 H new ATOM 0 HD11 LEU A 71 -9.594 -36.875 9.868 1.00 62.21 H new ATOM 0 HD12 LEU A 71 -10.879 -36.028 8.975 1.00 62.21 H new ATOM 0 HD13 LEU A 71 -9.710 -37.046 8.100 1.00 62.21 H new ATOM 0 HD21 LEU A 71 -7.264 -36.123 9.732 1.00 72.43 H new ATOM 0 HD22 LEU A 71 -7.269 -36.271 7.958 1.00 72.43 H new ATOM 0 HD23 LEU A 71 -6.818 -34.728 8.721 1.00 72.43 H new ATOM 1173 N GLU A 72 -9.672 -33.646 4.399 1.00 53.14 N ATOM 1174 CA GLU A 72 -10.470 -33.202 3.252 1.00 23.24 C ATOM 1175 C GLU A 72 -9.727 -32.163 2.390 1.00 12.12 C ATOM 1176 O GLU A 72 -9.551 -31.006 2.780 1.00 22.14 O ATOM 1177 CB GLU A 72 -11.828 -32.633 3.703 1.00 22.51 C ATOM 1178 CG GLU A 72 -11.741 -31.428 4.640 1.00 34.05 C ATOM 1179 CD GLU A 72 -12.986 -30.561 4.580 1.00 74.43 C ATOM 1180 OE1 GLU A 72 -13.960 -30.850 5.300 1.00 53.33 O ATOM 1181 OE2 GLU A 72 -13.002 -29.590 3.790 1.00 22.31 O ATOM 0 H GLU A 72 -8.904 -33.022 4.647 1.00 53.14 H new ATOM 0 HA GLU A 72 -10.642 -34.085 2.637 1.00 23.24 H new ATOM 0 HB2 GLU A 72 -12.398 -32.347 2.819 1.00 22.51 H new ATOM 0 HB3 GLU A 72 -12.389 -33.423 4.202 1.00 22.51 H new ATOM 0 HG2 GLU A 72 -11.592 -31.775 5.662 1.00 34.05 H new ATOM 0 HG3 GLU A 72 -10.870 -30.828 4.377 1.00 34.05 H new ATOM 1188 N HIS A 73 -9.294 -32.576 1.205 1.00 35.32 N ATOM 1189 CA HIS A 73 -8.710 -31.639 0.240 1.00 73.24 C ATOM 1190 C HIS A 73 -9.814 -30.918 -0.558 1.00 62.13 C ATOM 1191 O HIS A 73 -9.813 -30.905 -1.789 1.00 60.21 O ATOM 1192 CB HIS A 73 -7.722 -32.361 -0.696 1.00 2.40 C ATOM 1193 CG HIS A 73 -8.294 -33.551 -1.407 1.00 50.00 C ATOM 1194 ND1 HIS A 73 -9.006 -33.457 -2.583 1.00 31.42 N ATOM 1195 CD2 HIS A 73 -8.246 -34.872 -1.107 1.00 44.45 C ATOM 1196 CE1 HIS A 73 -9.375 -34.661 -2.971 1.00 71.54 C ATOM 1197 NE2 HIS A 73 -8.927 -35.536 -2.094 1.00 52.43 N ATOM 0 H HIS A 73 -9.333 -33.544 0.886 1.00 35.32 H new ATOM 0 HA HIS A 73 -8.151 -30.883 0.792 1.00 73.24 H new ATOM 0 HB2 HIS A 73 -7.359 -31.650 -1.438 1.00 2.40 H new ATOM 0 HB3 HIS A 73 -6.858 -32.682 -0.114 1.00 2.40 H new ATOM 0 HD1 HIS A 73 -9.215 -32.589 -3.077 1.00 31.42 H new ATOM 0 HD2 HIS A 73 -7.762 -35.318 -0.251 1.00 44.45 H new ATOM 0 HE1 HIS A 73 -9.947 -34.891 -3.857 1.00 71.54 H new ATOM 1206 N HIS A 74 -10.767 -30.319 0.162 1.00 10.11 N ATOM 1207 CA HIS A 74 -11.859 -29.563 -0.467 1.00 32.25 C ATOM 1208 C HIS A 74 -11.469 -28.093 -0.676 1.00 63.15 C ATOM 1209 O HIS A 74 -10.742 -27.511 0.134 1.00 2.20 O ATOM 1210 CB HIS A 74 -13.135 -29.637 0.385 1.00 55.20 C ATOM 1211 CG HIS A 74 -13.701 -31.017 0.525 1.00 54.44 C ATOM 1212 ND1 HIS A 74 -14.168 -31.517 1.719 1.00 50.41 N ATOM 1213 CD2 HIS A 74 -13.899 -31.997 -0.391 1.00 12.14 C ATOM 1214 CE1 HIS A 74 -14.624 -32.739 1.537 1.00 61.30 C ATOM 1215 NE2 HIS A 74 -14.476 -33.056 0.267 1.00 60.41 N ATOM 0 H HIS A 74 -10.806 -30.342 1.181 1.00 10.11 H new ATOM 0 HA HIS A 74 -12.050 -30.017 -1.439 1.00 32.25 H new ATOM 0 HB2 HIS A 74 -12.919 -29.243 1.378 1.00 55.20 H new ATOM 0 HB3 HIS A 74 -13.892 -28.989 -0.057 1.00 55.20 H new ATOM 0 HD2 HIS A 74 -13.650 -31.953 -1.441 1.00 12.14 H new ATOM 0 HE1 HIS A 74 -15.048 -33.374 2.301 1.00 61.30 H new ATOM 0 HE2 HIS A 74 -14.746 -33.943 -0.158 1.00 60.41 H new ATOM 1224 N HIS A 75 -11.969 -27.503 -1.760 1.00 1.15 N ATOM 1225 CA HIS A 75 -11.695 -26.098 -2.089 1.00 73.13 C ATOM 1226 C HIS A 75 -12.998 -25.305 -2.322 1.00 63.42 C ATOM 1227 O HIS A 75 -13.528 -25.249 -3.436 1.00 31.42 O ATOM 1228 CB HIS A 75 -10.755 -26.002 -3.310 1.00 53.45 C ATOM 1229 CG HIS A 75 -11.197 -26.774 -4.528 1.00 50.21 C ATOM 1230 ND1 HIS A 75 -12.312 -27.503 -4.779 1.00 70.41 N flip ATOM 1231 CD2 HIS A 75 -10.435 -26.856 -5.675 1.00 62.41 C flip ATOM 1232 CE1 HIS A 75 -12.198 -27.998 -6.052 1.00 70.41 C flip ATOM 1233 NE2 HIS A 75 -11.060 -27.591 -6.569 1.00 30.13 N flip ATOM 0 H HIS A 75 -12.571 -27.977 -2.433 1.00 1.15 H new ATOM 0 HA HIS A 75 -11.192 -25.645 -1.234 1.00 73.13 H new ATOM 0 HB2 HIS A 75 -10.649 -24.952 -3.584 1.00 53.45 H new ATOM 0 HB3 HIS A 75 -9.767 -26.355 -3.015 1.00 53.45 H new ATOM 0 HD2 HIS A 75 -9.472 -26.388 -5.817 1.00 62.41 H new ATOM 0 HE1 HIS A 75 -12.926 -28.622 -6.550 1.00 70.41 H new ATOM 0 HE2 HIS A 75 -10.719 -27.808 -7.505 1.00 30.13 H new ATOM 1242 N HIS A 76 -13.521 -24.704 -1.254 1.00 3.50 N ATOM 1243 CA HIS A 76 -14.767 -23.938 -1.329 1.00 51.34 C ATOM 1244 C HIS A 76 -14.522 -22.514 -1.857 1.00 40.32 C ATOM 1245 O HIS A 76 -14.369 -21.560 -1.088 1.00 25.32 O ATOM 1246 CB HIS A 76 -15.457 -23.902 0.041 1.00 63.52 C ATOM 1247 CG HIS A 76 -15.885 -25.258 0.524 1.00 42.41 C ATOM 1248 ND1 HIS A 76 -15.282 -25.917 1.575 1.00 55.15 N ATOM 1249 CD2 HIS A 76 -16.865 -26.086 0.084 1.00 31.32 C ATOM 1250 CE1 HIS A 76 -15.867 -27.084 1.758 1.00 54.43 C ATOM 1251 NE2 HIS A 76 -16.829 -27.210 0.869 1.00 32.12 N ATOM 0 H HIS A 76 -13.101 -24.732 -0.325 1.00 3.50 H new ATOM 0 HA HIS A 76 -15.427 -24.440 -2.037 1.00 51.34 H new ATOM 0 HB2 HIS A 76 -14.778 -23.461 0.771 1.00 63.52 H new ATOM 0 HB3 HIS A 76 -16.330 -23.252 -0.016 1.00 63.52 H new ATOM 0 HD2 HIS A 76 -17.546 -25.896 -0.732 1.00 31.32 H new ATOM 0 HE1 HIS A 76 -15.602 -27.813 2.510 1.00 54.43 H new ATOM 0 HE2 HIS A 76 -17.449 -28.015 0.778 1.00 32.12 H new ATOM 1260 N HIS A 77 -14.459 -22.407 -3.184 1.00 74.52 N ATOM 1261 CA HIS A 77 -14.279 -21.129 -3.891 1.00 2.15 C ATOM 1262 C HIS A 77 -14.227 -21.386 -5.402 1.00 33.33 C ATOM 1263 O HIS A 77 -14.803 -20.643 -6.199 1.00 24.55 O ATOM 1264 CB HIS A 77 -12.999 -20.401 -3.447 1.00 2.32 C ATOM 1265 CG HIS A 77 -12.856 -19.029 -4.038 1.00 1.20 C ATOM 1266 ND1 HIS A 77 -12.245 -18.794 -5.250 1.00 31.01 N ATOM 1267 CD2 HIS A 77 -13.266 -17.815 -3.591 1.00 33.13 C ATOM 1268 CE1 HIS A 77 -12.285 -17.507 -5.523 1.00 54.54 C ATOM 1269 NE2 HIS A 77 -12.897 -16.892 -4.536 1.00 64.01 N ATOM 0 H HIS A 77 -14.532 -23.210 -3.809 1.00 74.52 H new ATOM 0 HA HIS A 77 -15.126 -20.488 -3.645 1.00 2.15 H new ATOM 0 HB2 HIS A 77 -12.994 -20.322 -2.360 1.00 2.32 H new ATOM 0 HB3 HIS A 77 -12.133 -21.001 -3.727 1.00 2.32 H new ATOM 0 HD2 HIS A 77 -13.785 -17.614 -2.666 1.00 33.13 H new ATOM 0 HE1 HIS A 77 -11.883 -17.036 -6.408 1.00 54.54 H new ATOM 0 HE2 HIS A 77 -13.070 -15.888 -4.481 1.00 64.01 H new ATOM 1278 N HIS A 78 -13.506 -22.439 -5.784 1.00 12.04 N ATOM 1279 CA HIS A 78 -13.495 -22.924 -7.170 1.00 33.34 C ATOM 1280 C HIS A 78 -14.173 -24.309 -7.249 1.00 74.40 C ATOM 1281 O HIS A 78 -15.422 -24.358 -7.336 1.00 38.12 O ATOM 1282 CB HIS A 78 -12.051 -22.985 -7.701 1.00 21.22 C ATOM 1283 CG HIS A 78 -11.952 -23.418 -9.137 1.00 22.24 C ATOM 1284 ND1 HIS A 78 -12.095 -24.729 -9.532 1.00 13.10 N ATOM 1285 CD2 HIS A 78 -11.732 -22.712 -10.274 1.00 42.45 C ATOM 1286 CE1 HIS A 78 -11.970 -24.814 -10.838 1.00 61.25 C ATOM 1287 NE2 HIS A 78 -11.750 -23.608 -11.315 1.00 52.02 N ATOM 1288 OXT HIS A 78 -13.465 -25.338 -7.198 1.00 38.12 O ATOM 0 H HIS A 78 -12.916 -22.979 -5.150 1.00 12.04 H new ATOM 0 HA HIS A 78 -14.057 -22.231 -7.796 1.00 33.34 H new ATOM 0 HB2 HIS A 78 -11.593 -22.002 -7.595 1.00 21.22 H new ATOM 0 HB3 HIS A 78 -11.475 -23.674 -7.083 1.00 21.22 H new ATOM 0 HD1 HIS A 78 -12.271 -25.515 -8.906 1.00 13.10 H new ATOM 0 HD2 HIS A 78 -11.573 -21.646 -10.347 1.00 42.45 H new ATOM 0 HE1 HIS A 78 -12.037 -25.721 -11.421 1.00 61.25 H new TER 1297 HIS A 78