USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 464 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 74 GLN : amide:sc= -1.58 X(o=-4.4,f=-4.7) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -2.83 USER MOD Set 2.1: A 48 HIS : no HD1:sc= -6.73! C(o=-5.6!,f=-7.2!) USER MOD Set 2.2: A 55 SER OG : rot 19:sc= 1.18 USER MOD Set 3.1: A 28 TYR OH : rot 32:sc= -2.44 USER MOD Set 3.2: A 45 HIS : no HD1:sc= -7.65! C(o=-10!,f=-15!) USER MOD Single : A 6 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.1!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 20 SER OG : rot -92:sc= 0.739 USER MOD Single : A 33 GLN : amide:sc=-0.00356 K(o=-0.0036,f=-0.84) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN :FLIP amide:sc= -2.17! C(o=-6.4!,f=-2.2!) USER MOD Single : A 40 HIS : no HD1:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 41 TYR OH : rot -30:sc= -1.81 USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= -1.1 (180deg=-3.38!) USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 0.702 (180deg=0.361) USER MOD Single : A 47 SER OG : rot -62:sc= 0.284 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-1.3) USER MOD Single : A 60 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= -0.0958 (180deg=-0.507) USER MOD Single : A 64 SER OG : rot 180:sc= 0.114 USER MOD Single : A 70 THR OG1 : rot -150:sc= -0.308 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 4 2.464 6.408 -11.605 1.00 0.00 N ATOM 2 CA PHE A 4 3.017 6.288 -10.230 1.00 0.00 C ATOM 3 C PHE A 4 2.498 7.403 -9.325 1.00 0.00 C ATOM 4 O PHE A 4 3.276 8.099 -8.672 1.00 0.00 O ATOM 5 CB PHE A 4 4.548 6.334 -10.320 1.00 0.00 C ATOM 6 CG PHE A 4 5.221 5.065 -9.876 1.00 0.00 C ATOM 7 CD1 PHE A 4 4.644 3.829 -10.130 1.00 0.00 C ATOM 8 CD2 PHE A 4 6.433 5.108 -9.204 1.00 0.00 C ATOM 9 CE1 PHE A 4 5.262 2.663 -9.723 1.00 0.00 C ATOM 10 CE2 PHE A 4 7.055 3.944 -8.794 1.00 0.00 C ATOM 11 CZ PHE A 4 6.469 2.720 -9.054 1.00 0.00 C ATOM 0 HA PHE A 4 2.696 5.343 -9.791 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.836 6.546 -11.350 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.914 7.160 -9.711 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.700 3.778 -10.652 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.896 6.062 -8.999 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.802 1.708 -9.928 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.999 3.991 -8.271 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.954 1.809 -8.735 1.00 0.00 H new ATOM 21 N VAL A 5 1.177 7.576 -9.295 1.00 0.00 N ATOM 22 CA VAL A 5 0.569 8.617 -8.473 1.00 0.00 C ATOM 23 C VAL A 5 -0.658 8.111 -7.710 1.00 0.00 C ATOM 24 O VAL A 5 -1.132 8.771 -6.786 1.00 0.00 O ATOM 25 CB VAL A 5 0.154 9.840 -9.306 1.00 0.00 C ATOM 26 CG1 VAL A 5 0.232 11.101 -8.460 1.00 0.00 C ATOM 27 CG2 VAL A 5 1.031 9.974 -10.531 1.00 0.00 C ATOM 0 H VAL A 5 0.513 7.013 -9.827 1.00 0.00 H new ATOM 0 HA VAL A 5 1.339 8.909 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.876 9.700 -9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.064 11.961 -9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.438 11.008 -7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.254 11.240 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.721 10.846 -11.107 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.070 10.093 -10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.935 9.080 -11.147 1.00 0.00 H new ATOM 31 N ASN A 6 -1.184 6.953 -8.108 1.00 0.00 N ATOM 32 CA ASN A 6 -2.366 6.390 -7.463 1.00 0.00 C ATOM 33 C ASN A 6 -2.013 5.709 -6.135 1.00 0.00 C ATOM 34 O ASN A 6 -1.138 6.178 -5.407 1.00 0.00 O ATOM 35 CB ASN A 6 -3.064 5.412 -8.411 1.00 0.00 C ATOM 36 CG ASN A 6 -4.574 5.463 -8.283 1.00 0.00 C ATOM 37 OD1 ASN A 6 -5.108 5.816 -7.232 1.00 0.00 O ATOM 38 ND2 ASN A 6 -5.271 5.109 -9.356 1.00 0.00 N ATOM 0 H ASN A 6 -0.811 6.389 -8.872 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.050 7.207 -7.234 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.781 5.641 -9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.718 4.399 -8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.291 5.123 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.787 4.823 -10.207 1.00 0.00 H new ATOM 43 N GLU A 7 -2.715 4.620 -5.804 1.00 0.00 N ATOM 44 CA GLU A 7 -2.484 3.913 -4.548 1.00 0.00 C ATOM 45 C GLU A 7 -2.267 2.414 -4.762 1.00 0.00 C ATOM 46 O GLU A 7 -2.384 1.906 -5.877 1.00 0.00 O ATOM 47 CB GLU A 7 -3.675 4.123 -3.606 1.00 0.00 C ATOM 48 CG GLU A 7 -4.938 4.614 -4.301 1.00 0.00 C ATOM 49 CD GLU A 7 -5.545 3.567 -5.214 1.00 0.00 C ATOM 50 OE1 GLU A 7 -5.248 2.368 -5.023 1.00 0.00 O ATOM 51 OE2 GLU A 7 -6.316 3.944 -6.121 1.00 0.00 O ATOM 0 H GLU A 7 -3.445 4.213 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.576 4.323 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.894 3.183 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.394 4.842 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.672 4.905 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.705 5.506 -4.882 1.00 0.00 H new ATOM 58 N TRP A 8 -1.968 1.714 -3.666 1.00 0.00 N ATOM 59 CA TRP A 8 -1.751 0.269 -3.696 1.00 0.00 C ATOM 60 C TRP A 8 -2.961 -0.453 -3.108 1.00 0.00 C ATOM 61 O TRP A 8 -3.582 0.033 -2.164 1.00 0.00 O ATOM 62 CB TRP A 8 -0.481 -0.102 -2.915 1.00 0.00 C ATOM 63 CG TRP A 8 -0.387 -1.563 -2.576 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.062 -2.566 -3.385 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.751 -2.179 -1.337 1.00 0.00 C ATOM 66 NE1 TRP A 8 -0.012 -3.771 -2.727 1.00 0.00 N ATOM 67 CE2 TRP A 8 -0.506 -3.559 -1.466 1.00 0.00 C ATOM 68 CE3 TRP A 8 -1.263 -1.698 -0.132 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.756 -4.460 -0.431 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.508 -2.592 0.893 1.00 0.00 C ATOM 71 CH2 TRP A 8 -1.257 -3.958 0.737 1.00 0.00 C ATOM 0 H TRP A 8 -1.870 2.130 -2.740 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.621 -0.042 -4.733 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.392 0.183 -3.502 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.449 0.479 -1.993 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.423 -2.433 -4.394 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.257 -4.676 -3.114 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.465 -0.645 -0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.561 -5.516 -0.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.900 -2.229 1.831 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.463 -4.631 1.556 1.00 0.00 H new ATOM 82 N ALA A 9 -3.291 -1.615 -3.665 1.00 0.00 N ATOM 83 CA ALA A 9 -4.425 -2.394 -3.181 1.00 0.00 C ATOM 84 C ALA A 9 -4.082 -3.874 -3.105 1.00 0.00 C ATOM 85 O ALA A 9 -3.390 -4.410 -3.970 1.00 0.00 O ATOM 86 CB ALA A 9 -5.637 -2.189 -4.070 1.00 0.00 C ATOM 0 H ALA A 9 -2.791 -2.036 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.661 -2.043 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.471 -2.779 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.911 -1.134 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.401 -2.506 -5.086 1.00 0.00 H new ATOM 92 N ALA A 10 -4.570 -4.531 -2.060 1.00 0.00 N ATOM 93 CA ALA A 10 -4.315 -5.948 -1.865 1.00 0.00 C ATOM 94 C ALA A 10 -5.448 -6.615 -1.103 1.00 0.00 C ATOM 95 O ALA A 10 -6.313 -5.944 -0.546 1.00 0.00 O ATOM 96 CB ALA A 10 -3.011 -6.139 -1.113 1.00 0.00 C ATOM 0 H ALA A 10 -5.145 -4.102 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.245 -6.415 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.826 -7.204 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.193 -5.702 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.076 -5.649 -0.142 1.00 0.00 H new ATOM 102 N GLU A 11 -5.414 -7.940 -1.058 1.00 0.00 N ATOM 103 CA GLU A 11 -6.414 -8.716 -0.334 1.00 0.00 C ATOM 104 C GLU A 11 -5.714 -9.633 0.650 1.00 0.00 C ATOM 105 O GLU A 11 -4.915 -10.484 0.251 1.00 0.00 O ATOM 106 CB GLU A 11 -7.266 -9.547 -1.288 1.00 0.00 C ATOM 107 CG GLU A 11 -7.979 -8.721 -2.347 1.00 0.00 C ATOM 108 CD GLU A 11 -8.878 -9.559 -3.234 1.00 0.00 C ATOM 109 OE1 GLU A 11 -9.267 -10.667 -2.808 1.00 0.00 O ATOM 110 OE2 GLU A 11 -9.193 -9.108 -4.356 1.00 0.00 O ATOM 0 H GLU A 11 -4.699 -8.504 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.072 -8.026 0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.631 -10.283 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.007 -10.100 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.574 -7.948 -1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.239 -8.212 -2.964 1.00 0.00 H new ATOM 117 N ILE A 12 -5.982 -9.441 1.933 1.00 0.00 N ATOM 118 CA ILE A 12 -5.338 -10.251 2.949 1.00 0.00 C ATOM 119 C ILE A 12 -6.216 -10.398 4.201 1.00 0.00 C ATOM 120 O ILE A 12 -6.502 -9.424 4.893 1.00 0.00 O ATOM 121 CB ILE A 12 -3.927 -9.678 3.283 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.746 -9.353 4.773 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.633 -8.443 2.438 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.408 -8.058 5.197 1.00 0.00 C ATOM 0 H ILE A 12 -6.632 -8.741 2.289 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.204 -11.257 2.551 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.212 -10.464 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.154 -10.171 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.681 -9.297 4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.644 -8.059 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.664 -8.709 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.381 -7.677 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.238 -7.894 6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.983 -7.230 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.479 -8.117 5.005 1.00 0.00 H new ATOM 128 N PRO A 13 -6.674 -11.630 4.493 1.00 0.00 N ATOM 129 CA PRO A 13 -7.531 -11.907 5.652 1.00 0.00 C ATOM 130 C PRO A 13 -7.000 -11.311 6.956 1.00 0.00 C ATOM 131 O PRO A 13 -7.776 -10.950 7.841 1.00 0.00 O ATOM 132 CB PRO A 13 -7.523 -13.434 5.734 1.00 0.00 C ATOM 133 CG PRO A 13 -7.295 -13.886 4.335 1.00 0.00 C ATOM 134 CD PRO A 13 -6.414 -12.848 3.698 1.00 0.00 C ATOM 0 HA PRO A 13 -8.519 -11.464 5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.736 -13.791 6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.467 -13.815 6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.819 -14.866 4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.239 -13.979 3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.363 -13.135 3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.664 -12.701 2.647 1.00 0.00 H new ATOM 142 N GLY A 14 -5.678 -11.219 7.077 1.00 0.00 N ATOM 143 CA GLY A 14 -5.080 -10.680 8.279 1.00 0.00 C ATOM 144 C GLY A 14 -4.478 -9.313 8.070 1.00 0.00 C ATOM 145 O GLY A 14 -5.205 -8.320 8.034 1.00 0.00 O ATOM 0 H GLY A 14 -5.012 -11.510 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.837 -10.623 9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.307 -11.362 8.632 1.00 0.00 H new ATOM 149 N GLY A 15 -3.145 -9.257 7.940 1.00 0.00 N ATOM 150 CA GLY A 15 -2.454 -7.989 7.744 1.00 0.00 C ATOM 151 C GLY A 15 -3.181 -6.830 8.392 1.00 0.00 C ATOM 152 O GLY A 15 -3.270 -5.744 7.832 1.00 0.00 O ATOM 0 H GLY A 15 -2.533 -10.073 7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.447 -8.059 8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.348 -7.797 6.676 1.00 0.00 H new ATOM 156 N GLN A 16 -3.723 -7.082 9.571 1.00 0.00 N ATOM 157 CA GLN A 16 -4.470 -6.076 10.300 1.00 0.00 C ATOM 158 C GLN A 16 -3.523 -5.128 11.024 1.00 0.00 C ATOM 159 O GLN A 16 -3.498 -3.928 10.748 1.00 0.00 O ATOM 160 CB GLN A 16 -5.417 -6.768 11.279 1.00 0.00 C ATOM 161 CG GLN A 16 -6.757 -7.138 10.663 1.00 0.00 C ATOM 162 CD GLN A 16 -7.742 -7.667 11.688 1.00 0.00 C ATOM 163 OE1 GLN A 16 -7.635 -7.373 12.879 1.00 0.00 O ATOM 164 NE2 GLN A 16 -8.708 -8.455 11.229 1.00 0.00 N ATOM 0 H GLN A 16 -3.658 -7.983 10.045 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.058 -5.480 9.603 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.939 -7.671 11.659 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.587 -6.113 12.134 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.182 -6.262 10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.602 -7.891 9.890 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.759 -8.673 10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.399 -8.842 11.872 1.00 0.00 H new ATOM 171 N GLU A 17 -2.727 -5.676 11.933 1.00 0.00 N ATOM 172 CA GLU A 17 -1.761 -4.877 12.674 1.00 0.00 C ATOM 173 C GLU A 17 -0.539 -4.585 11.806 1.00 0.00 C ATOM 174 O GLU A 17 0.197 -3.630 12.051 1.00 0.00 O ATOM 175 CB GLU A 17 -1.337 -5.604 13.951 1.00 0.00 C ATOM 176 CG GLU A 17 -2.505 -6.159 14.750 1.00 0.00 C ATOM 177 CD GLU A 17 -2.398 -7.655 14.978 1.00 0.00 C ATOM 178 OE1 GLU A 17 -1.763 -8.339 14.148 1.00 0.00 O ATOM 179 OE2 GLU A 17 -2.950 -8.142 15.987 1.00 0.00 O ATOM 0 H GLU A 17 -2.731 -6.667 12.174 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.231 -3.933 12.949 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.666 -6.422 13.688 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.771 -4.917 14.580 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.555 -5.651 15.713 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.435 -5.941 14.226 1.00 0.00 H new ATOM 186 N ALA A 18 -0.331 -5.421 10.789 1.00 0.00 N ATOM 187 CA ALA A 18 0.797 -5.262 9.880 1.00 0.00 C ATOM 188 C ALA A 18 0.518 -4.198 8.823 1.00 0.00 C ATOM 189 O ALA A 18 1.251 -3.216 8.718 1.00 0.00 O ATOM 190 CB ALA A 18 1.130 -6.590 9.218 1.00 0.00 C ATOM 0 H ALA A 18 -0.933 -6.217 10.576 1.00 0.00 H new ATOM 0 HA ALA A 18 1.654 -4.931 10.466 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.974 -6.458 8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.389 -7.323 9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.266 -6.943 8.655 1.00 0.00 H new ATOM 196 N ALA A 19 -0.546 -4.399 8.042 1.00 0.00 N ATOM 197 CA ALA A 19 -0.920 -3.458 6.988 1.00 0.00 C ATOM 198 C ALA A 19 -0.921 -2.033 7.511 1.00 0.00 C ATOM 199 O ALA A 19 -0.364 -1.127 6.891 1.00 0.00 O ATOM 200 CB ALA A 19 -2.282 -3.815 6.418 1.00 0.00 C ATOM 0 H ALA A 19 -1.164 -5.207 8.121 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.180 -3.527 6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.546 -3.105 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.249 -4.821 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.030 -3.776 7.210 1.00 0.00 H new ATOM 206 N SER A 20 -1.535 -1.850 8.668 1.00 0.00 N ATOM 207 CA SER A 20 -1.594 -0.542 9.295 1.00 0.00 C ATOM 208 C SER A 20 -0.204 -0.126 9.758 1.00 0.00 C ATOM 209 O SER A 20 0.125 1.061 9.800 1.00 0.00 O ATOM 210 CB SER A 20 -2.561 -0.558 10.480 1.00 0.00 C ATOM 211 OG SER A 20 -2.136 -1.474 11.474 1.00 0.00 O ATOM 0 H SER A 20 -2.000 -2.592 9.192 1.00 0.00 H new ATOM 0 HA SER A 20 -1.957 0.180 8.563 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.632 0.442 10.909 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.559 -0.828 10.135 1.00 0.00 H new ATOM 0 HG SER A 20 -2.551 -2.347 11.313 1.00 0.00 H new ATOM 217 N ALA A 21 0.609 -1.120 10.105 1.00 0.00 N ATOM 218 CA ALA A 21 1.963 -0.876 10.566 1.00 0.00 C ATOM 219 C ALA A 21 2.895 -0.529 9.409 1.00 0.00 C ATOM 220 O ALA A 21 3.906 0.146 9.600 1.00 0.00 O ATOM 221 CB ALA A 21 2.492 -2.083 11.322 1.00 0.00 C ATOM 0 H ALA A 21 0.347 -2.105 10.074 1.00 0.00 H new ATOM 0 HA ALA A 21 1.933 -0.020 11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.509 -1.883 11.661 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.855 -2.281 12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.493 -2.952 10.665 1.00 0.00 H new ATOM 227 N ILE A 22 2.550 -0.988 8.209 1.00 0.00 N ATOM 228 CA ILE A 22 3.359 -0.712 7.035 1.00 0.00 C ATOM 229 C ILE A 22 3.351 0.775 6.740 1.00 0.00 C ATOM 230 O ILE A 22 4.391 1.432 6.752 1.00 0.00 O ATOM 231 CB ILE A 22 2.844 -1.465 5.792 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.324 -2.858 6.169 1.00 0.00 C ATOM 233 CG2 ILE A 22 3.948 -1.562 4.755 1.00 0.00 C ATOM 234 CD1 ILE A 22 1.958 -3.725 4.981 1.00 0.00 C ATOM 0 H ILE A 22 1.718 -1.550 8.029 1.00 0.00 H new ATOM 0 HA ILE A 22 4.371 -1.053 7.252 1.00 0.00 H new ATOM 0 HB ILE A 22 2.010 -0.907 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.084 -3.370 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.447 -2.746 6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.578 -2.095 3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.263 -0.560 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.797 -2.101 5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.600 -4.692 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.174 -3.237 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.836 -3.871 4.352 1.00 0.00 H new ATOM 238 N ALA A 23 2.158 1.302 6.496 1.00 0.00 N ATOM 239 CA ALA A 23 1.983 2.719 6.214 1.00 0.00 C ATOM 240 C ALA A 23 2.730 3.558 7.243 1.00 0.00 C ATOM 241 O ALA A 23 3.282 4.612 6.927 1.00 0.00 O ATOM 242 CB ALA A 23 0.503 3.068 6.214 1.00 0.00 C ATOM 0 H ALA A 23 1.292 0.764 6.488 1.00 0.00 H new ATOM 0 HA ALA A 23 2.394 2.938 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.380 4.130 6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.009 2.484 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.076 2.841 7.191 1.00 0.00 H new ATOM 248 N GLU A 24 2.744 3.069 8.477 1.00 0.00 N ATOM 249 CA GLU A 24 3.425 3.754 9.565 1.00 0.00 C ATOM 250 C GLU A 24 4.940 3.703 9.374 1.00 0.00 C ATOM 251 O GLU A 24 5.644 4.672 9.660 1.00 0.00 O ATOM 252 CB GLU A 24 3.047 3.128 10.909 1.00 0.00 C ATOM 253 CG GLU A 24 1.623 3.432 11.344 1.00 0.00 C ATOM 254 CD GLU A 24 1.251 2.743 12.643 1.00 0.00 C ATOM 255 OE1 GLU A 24 1.003 1.520 12.616 1.00 0.00 O ATOM 256 OE2 GLU A 24 1.208 3.428 13.687 1.00 0.00 O ATOM 0 H GLU A 24 2.289 2.197 8.748 1.00 0.00 H new ATOM 0 HA GLU A 24 3.109 4.797 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.176 2.047 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.736 3.487 11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.505 4.509 11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.933 3.119 10.560 1.00 0.00 H new ATOM 263 N GLU A 25 5.434 2.565 8.893 1.00 0.00 N ATOM 264 CA GLU A 25 6.865 2.388 8.666 1.00 0.00 C ATOM 265 C GLU A 25 7.349 3.270 7.515 1.00 0.00 C ATOM 266 O GLU A 25 7.883 4.356 7.741 1.00 0.00 O ATOM 267 CB GLU A 25 7.178 0.916 8.376 1.00 0.00 C ATOM 268 CG GLU A 25 7.922 0.220 9.503 1.00 0.00 C ATOM 269 CD GLU A 25 7.187 0.303 10.826 1.00 0.00 C ATOM 270 OE1 GLU A 25 7.132 1.409 11.406 1.00 0.00 O ATOM 271 OE2 GLU A 25 6.667 -0.736 11.284 1.00 0.00 O ATOM 0 H GLU A 25 4.865 1.753 8.653 1.00 0.00 H new ATOM 0 HA GLU A 25 7.393 2.690 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.245 0.385 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.773 0.852 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.073 -0.827 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.910 0.667 9.612 1.00 0.00 H new ATOM 278 N LEU A 26 7.160 2.799 6.283 1.00 0.00 N ATOM 279 CA LEU A 26 7.580 3.552 5.103 1.00 0.00 C ATOM 280 C LEU A 26 7.090 4.996 5.175 1.00 0.00 C ATOM 281 O LEU A 26 7.859 5.937 4.975 1.00 0.00 O ATOM 282 CB LEU A 26 7.062 2.892 3.817 1.00 0.00 C ATOM 283 CG LEU A 26 5.850 1.969 3.988 1.00 0.00 C ATOM 284 CD1 LEU A 26 4.800 2.252 2.929 1.00 0.00 C ATOM 285 CD2 LEU A 26 6.284 0.512 3.937 1.00 0.00 C ATOM 0 H LEU A 26 6.720 1.902 6.077 1.00 0.00 H new ATOM 0 HA LEU A 26 8.670 3.551 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.801 3.677 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.874 2.317 3.372 1.00 0.00 H new ATOM 0 HG LEU A 26 5.405 2.165 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.950 1.584 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.467 3.286 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.228 2.089 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.413 -0.132 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.755 0.306 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.996 0.316 4.739 1.00 0.00 H new ATOM 291 N GLY A 27 5.806 5.157 5.463 1.00 0.00 N ATOM 292 CA GLY A 27 5.222 6.484 5.562 1.00 0.00 C ATOM 293 C GLY A 27 4.053 6.676 4.615 1.00 0.00 C ATOM 294 O GLY A 27 3.956 7.695 3.931 1.00 0.00 O ATOM 0 H GLY A 27 5.154 4.391 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.888 6.655 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.986 7.231 5.347 1.00 0.00 H new ATOM 298 N TYR A 28 3.165 5.688 4.573 1.00 0.00 N ATOM 299 CA TYR A 28 1.995 5.737 3.701 1.00 0.00 C ATOM 300 C TYR A 28 0.708 5.711 4.517 1.00 0.00 C ATOM 301 O TYR A 28 0.738 5.730 5.747 1.00 0.00 O ATOM 302 CB TYR A 28 2.008 4.541 2.746 1.00 0.00 C ATOM 303 CG TYR A 28 2.994 4.676 1.614 1.00 0.00 C ATOM 304 CD1 TYR A 28 4.329 4.966 1.859 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.587 4.509 0.300 1.00 0.00 C ATOM 306 CE1 TYR A 28 5.233 5.090 0.821 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.484 4.631 -0.745 1.00 0.00 C ATOM 308 CZ TYR A 28 4.804 4.922 -0.478 1.00 0.00 C ATOM 309 OH TYR A 28 5.698 5.048 -1.513 1.00 0.00 O ATOM 0 H TYR A 28 3.233 4.840 5.135 1.00 0.00 H new ATOM 0 HA TYR A 28 2.034 6.666 3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.240 3.639 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.009 4.409 2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.667 5.097 2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.553 4.280 0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.269 5.317 1.026 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.152 4.499 -1.764 1.00 0.00 H new ATOM 0 HH TYR A 28 6.584 4.752 -1.218 1.00 0.00 H new ATOM 319 N ASP A 29 -0.420 5.643 3.819 1.00 0.00 N ATOM 320 CA ASP A 29 -1.722 5.582 4.467 1.00 0.00 C ATOM 321 C ASP A 29 -2.445 4.312 4.045 1.00 0.00 C ATOM 322 O ASP A 29 -3.036 4.252 2.967 1.00 0.00 O ATOM 323 CB ASP A 29 -2.567 6.807 4.119 1.00 0.00 C ATOM 324 CG ASP A 29 -1.901 8.106 4.526 1.00 0.00 C ATOM 325 OD1 ASP A 29 -1.050 8.603 3.759 1.00 0.00 O ATOM 326 OD2 ASP A 29 -2.229 8.627 5.613 1.00 0.00 O ATOM 0 H ASP A 29 -0.457 5.629 2.800 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.570 5.572 5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.757 6.820 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.535 6.729 4.613 1.00 0.00 H new ATOM 331 N LEU A 30 -2.381 3.295 4.893 1.00 0.00 N ATOM 332 CA LEU A 30 -3.017 2.019 4.599 1.00 0.00 C ATOM 333 C LEU A 30 -4.450 1.995 5.105 1.00 0.00 C ATOM 334 O LEU A 30 -4.693 2.151 6.300 1.00 0.00 O ATOM 335 CB LEU A 30 -2.221 0.876 5.235 1.00 0.00 C ATOM 336 CG LEU A 30 -2.935 -0.481 5.294 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.672 -0.643 6.613 1.00 0.00 C ATOM 338 CD2 LEU A 30 -3.883 -0.660 4.116 1.00 0.00 C ATOM 0 H LEU A 30 -1.895 3.329 5.789 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.033 1.889 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.291 0.753 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.950 1.167 6.250 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.176 -1.261 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.171 -1.612 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.961 -0.583 7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.413 0.150 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.373 -1.631 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.636 0.128 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.320 -0.605 3.184 1.00 0.00 H new ATOM 344 N LEU A 31 -5.392 1.768 4.192 1.00 0.00 N ATOM 345 CA LEU A 31 -6.790 1.698 4.549 1.00 0.00 C ATOM 346 C LEU A 31 -7.531 0.711 3.669 1.00 0.00 C ATOM 347 O LEU A 31 -7.882 1.000 2.527 1.00 0.00 O ATOM 348 CB LEU A 31 -7.484 3.067 4.452 1.00 0.00 C ATOM 349 CG LEU A 31 -6.789 4.245 5.144 1.00 0.00 C ATOM 350 CD1 LEU A 31 -6.517 3.930 6.606 1.00 0.00 C ATOM 351 CD2 LEU A 31 -5.505 4.618 4.417 1.00 0.00 C ATOM 0 H LEU A 31 -5.202 1.630 3.199 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.822 1.363 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.602 3.314 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.486 2.970 4.870 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.458 5.104 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.023 4.781 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.459 3.730 7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.873 3.053 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.029 5.456 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.828 3.764 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.737 4.901 3.390 1.00 0.00 H new ATOM 357 N GLY A 32 -7.765 -0.455 4.224 1.00 0.00 N ATOM 358 CA GLY A 32 -8.481 -1.487 3.505 1.00 0.00 C ATOM 359 C GLY A 32 -9.234 -2.428 4.427 1.00 0.00 C ATOM 360 O GLY A 32 -8.755 -3.522 4.729 1.00 0.00 O ATOM 0 H GLY A 32 -7.473 -0.714 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.184 -1.022 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.776 -2.061 2.904 1.00 0.00 H new ATOM 364 N GLN A 33 -10.414 -2.012 4.870 1.00 0.00 N ATOM 365 CA GLN A 33 -11.225 -2.838 5.755 1.00 0.00 C ATOM 366 C GLN A 33 -12.711 -2.556 5.562 1.00 0.00 C ATOM 367 O GLN A 33 -13.246 -1.600 6.124 1.00 0.00 O ATOM 368 CB GLN A 33 -10.836 -2.596 7.214 1.00 0.00 C ATOM 369 CG GLN A 33 -10.719 -1.125 7.577 1.00 0.00 C ATOM 370 CD GLN A 33 -9.880 -0.896 8.818 1.00 0.00 C ATOM 371 OE1 GLN A 33 -9.586 -1.831 9.564 1.00 0.00 O ATOM 372 NE2 GLN A 33 -9.489 0.352 9.048 1.00 0.00 N ATOM 0 H GLN A 33 -10.829 -1.111 4.632 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.037 -3.882 5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.578 -3.063 7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.884 -3.088 7.414 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.279 -0.582 6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.716 -0.713 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.755 1.097 8.404 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.923 0.566 9.869 1.00 0.00 H new ATOM 379 N ILE A 34 -13.376 -3.391 4.769 1.00 0.00 N ATOM 380 CA ILE A 34 -14.802 -3.220 4.516 1.00 0.00 C ATOM 381 C ILE A 34 -15.620 -4.300 5.205 1.00 0.00 C ATOM 382 O ILE A 34 -16.814 -4.130 5.450 1.00 0.00 O ATOM 383 CB ILE A 34 -15.122 -3.246 3.007 1.00 0.00 C ATOM 384 CG1 ILE A 34 -14.274 -2.219 2.259 1.00 0.00 C ATOM 385 CG2 ILE A 34 -16.604 -2.984 2.770 1.00 0.00 C ATOM 386 CD1 ILE A 34 -12.828 -2.630 2.088 1.00 0.00 C ATOM 0 H ILE A 34 -12.953 -4.188 4.293 1.00 0.00 H new ATOM 0 HA ILE A 34 -15.070 -2.245 4.922 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.880 -4.237 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -14.712 -2.047 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.312 -1.271 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.811 -3.006 1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.194 -3.753 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.869 -2.006 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.290 -1.851 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.372 -2.774 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -12.779 -3.562 1.525 1.00 0.00 H new ATOM 390 N GLY A 35 -14.973 -5.413 5.498 1.00 0.00 N ATOM 391 CA GLY A 35 -15.654 -6.521 6.139 1.00 0.00 C ATOM 392 C GLY A 35 -16.302 -7.443 5.124 1.00 0.00 C ATOM 393 O GLY A 35 -16.227 -8.665 5.243 1.00 0.00 O ATOM 0 H GLY A 35 -13.984 -5.573 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -14.943 -7.086 6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.414 -6.137 6.819 1.00 0.00 H new ATOM 397 N SER A 36 -16.931 -6.846 4.115 1.00 0.00 N ATOM 398 CA SER A 36 -17.588 -7.603 3.058 1.00 0.00 C ATOM 399 C SER A 36 -16.606 -8.561 2.392 1.00 0.00 C ATOM 400 O SER A 36 -16.996 -9.604 1.868 1.00 0.00 O ATOM 401 CB SER A 36 -18.168 -6.646 2.015 1.00 0.00 C ATOM 402 OG SER A 36 -19.495 -6.276 2.345 1.00 0.00 O ATOM 0 H SER A 36 -16.999 -5.834 4.009 1.00 0.00 H new ATOM 0 HA SER A 36 -18.395 -8.186 3.501 1.00 0.00 H new ATOM 0 HB2 SER A 36 -17.544 -5.754 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 36 -18.153 -7.120 1.034 1.00 0.00 H new ATOM 0 HG SER A 36 -19.843 -5.663 1.664 1.00 0.00 H new ATOM 408 N LEU A 37 -15.329 -8.195 2.416 1.00 0.00 N ATOM 409 CA LEU A 37 -14.284 -9.012 1.815 1.00 0.00 C ATOM 410 C LEU A 37 -13.357 -9.574 2.883 1.00 0.00 C ATOM 411 O LEU A 37 -12.739 -10.621 2.703 1.00 0.00 O ATOM 412 CB LEU A 37 -13.484 -8.200 0.788 1.00 0.00 C ATOM 413 CG LEU A 37 -13.506 -6.675 0.971 1.00 0.00 C ATOM 414 CD1 LEU A 37 -14.900 -6.116 0.732 1.00 0.00 C ATOM 415 CD2 LEU A 37 -12.993 -6.279 2.349 1.00 0.00 C ATOM 0 H LEU A 37 -14.993 -7.334 2.847 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.762 -9.846 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.447 -8.535 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.866 -8.432 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.837 -6.243 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.887 -5.035 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.216 -6.350 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.597 -6.562 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.020 -5.194 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.623 -6.730 3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.968 -6.629 2.470 1.00 0.00 H new ATOM 421 N GLU A 38 -13.284 -8.870 3.999 1.00 0.00 N ATOM 422 CA GLU A 38 -12.452 -9.278 5.121 1.00 0.00 C ATOM 423 C GLU A 38 -11.036 -9.599 4.677 1.00 0.00 C ATOM 424 O GLU A 38 -10.339 -10.392 5.307 1.00 0.00 O ATOM 425 CB GLU A 38 -13.084 -10.483 5.792 1.00 0.00 C ATOM 426 CG GLU A 38 -13.893 -10.131 7.028 1.00 0.00 C ATOM 427 CD GLU A 38 -13.032 -9.988 8.268 1.00 0.00 C ATOM 428 OE1 GLU A 38 -12.049 -10.747 8.400 1.00 0.00 O ATOM 429 OE2 GLU A 38 -13.341 -9.117 9.108 1.00 0.00 O ATOM 0 H GLU A 38 -13.797 -8.002 4.154 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.389 -8.452 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.731 -10.990 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.300 -11.188 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.429 -9.198 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.643 -10.903 7.198 1.00 0.00 H new ATOM 436 N ASN A 39 -10.622 -8.972 3.588 1.00 0.00 N ATOM 437 CA ASN A 39 -9.292 -9.178 3.042 1.00 0.00 C ATOM 438 C ASN A 39 -9.057 -8.267 1.836 1.00 0.00 C ATOM 439 O ASN A 39 -8.958 -8.719 0.697 1.00 0.00 O ATOM 440 CB ASN A 39 -9.105 -10.658 2.688 1.00 0.00 C ATOM 441 CG ASN A 39 -9.759 -11.065 1.378 1.00 0.00 C ATOM 442 OD1 ASN A 39 -10.846 -10.393 1.014 1.00 0.00 O flip ATOM 443 ND2 ASN A 39 -9.289 -11.977 0.698 1.00 0.00 N flip ATOM 0 H ASN A 39 -11.194 -8.311 3.062 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.546 -8.913 3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.039 -10.877 2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.515 -11.269 3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.452 -12.469 1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.736 -12.241 -0.180 1.00 0.00 H new ATOM 448 N HIS A 40 -8.974 -6.973 2.112 1.00 0.00 N ATOM 449 CA HIS A 40 -8.754 -5.962 1.085 1.00 0.00 C ATOM 450 C HIS A 40 -8.092 -4.731 1.702 1.00 0.00 C ATOM 451 O HIS A 40 -8.772 -3.876 2.260 1.00 0.00 O ATOM 452 CB HIS A 40 -10.080 -5.570 0.431 1.00 0.00 C ATOM 453 CG HIS A 40 -9.918 -4.720 -0.790 1.00 0.00 C ATOM 454 ND1 HIS A 40 -9.221 -5.131 -1.908 1.00 0.00 N ATOM 455 CD2 HIS A 40 -10.368 -3.473 -1.069 1.00 0.00 C ATOM 456 CE1 HIS A 40 -9.249 -4.175 -2.819 1.00 0.00 C ATOM 457 NE2 HIS A 40 -9.939 -3.160 -2.335 1.00 0.00 N ATOM 0 H HIS A 40 -9.057 -6.593 3.055 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.097 -6.376 0.320 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.625 -6.475 0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.690 -5.034 1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.955 -2.843 -0.417 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.786 -4.217 -3.794 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.124 -2.284 -2.823 1.00 0.00 H new ATOM 466 N TYR A 41 -6.766 -4.658 1.612 1.00 0.00 N ATOM 467 CA TYR A 41 -6.013 -3.540 2.182 1.00 0.00 C ATOM 468 C TYR A 41 -5.365 -2.697 1.087 1.00 0.00 C ATOM 469 O TYR A 41 -4.821 -3.237 0.125 1.00 0.00 O ATOM 470 CB TYR A 41 -4.953 -4.071 3.147 1.00 0.00 C ATOM 471 CG TYR A 41 -5.490 -4.334 4.538 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.157 -5.517 4.831 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.333 -3.400 5.558 1.00 0.00 C ATOM 474 CE1 TYR A 41 -6.651 -5.763 6.097 1.00 0.00 C ATOM 475 CE2 TYR A 41 -5.825 -3.641 6.827 1.00 0.00 C ATOM 476 CZ TYR A 41 -6.483 -4.824 7.091 1.00 0.00 C ATOM 477 OH TYR A 41 -6.974 -5.066 8.352 1.00 0.00 O ATOM 0 H TYR A 41 -6.189 -5.360 1.149 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.705 -2.899 2.728 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.535 -4.994 2.745 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.136 -3.352 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.291 -6.257 4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.819 -2.472 5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.167 -6.688 6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.695 -2.907 7.608 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.769 -5.636 8.290 1.00 0.00 H new ATOM 487 N LEU A 42 -5.434 -1.370 1.225 1.00 0.00 N ATOM 488 CA LEU A 42 -4.852 -0.486 0.218 1.00 0.00 C ATOM 489 C LEU A 42 -4.129 0.704 0.851 1.00 0.00 C ATOM 490 O LEU A 42 -4.573 1.253 1.855 1.00 0.00 O ATOM 491 CB LEU A 42 -5.948 -0.003 -0.743 1.00 0.00 C ATOM 492 CG LEU A 42 -6.030 1.512 -0.965 1.00 0.00 C ATOM 493 CD1 LEU A 42 -6.297 1.821 -2.426 1.00 0.00 C ATOM 494 CD2 LEU A 42 -7.106 2.117 -0.078 1.00 0.00 C ATOM 0 H LEU A 42 -5.879 -0.893 2.009 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.107 -1.054 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.794 -0.484 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.911 -0.347 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.073 1.957 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.352 2.901 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.490 1.417 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.241 1.368 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.153 3.193 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.070 1.669 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.867 1.923 0.968 1.00 0.00 H new ATOM 500 N PHE A 43 -3.028 1.115 0.224 1.00 0.00 N ATOM 501 CA PHE A 43 -2.252 2.260 0.692 1.00 0.00 C ATOM 502 C PHE A 43 -2.631 3.501 -0.102 1.00 0.00 C ATOM 503 O PHE A 43 -3.383 3.417 -1.068 1.00 0.00 O ATOM 504 CB PHE A 43 -0.752 2.012 0.518 1.00 0.00 C ATOM 505 CG PHE A 43 -0.159 0.994 1.452 1.00 0.00 C ATOM 506 CD1 PHE A 43 -0.960 0.161 2.219 1.00 0.00 C ATOM 507 CD2 PHE A 43 1.214 0.871 1.549 1.00 0.00 C ATOM 508 CE1 PHE A 43 -0.395 -0.776 3.063 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.782 -0.058 2.391 1.00 0.00 C ATOM 510 CZ PHE A 43 0.978 -0.885 3.148 1.00 0.00 C ATOM 0 H PHE A 43 -2.653 0.669 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.473 2.404 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.570 1.690 -0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.226 2.957 0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.035 0.245 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.850 1.512 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.027 -1.422 3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.857 -0.140 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.423 -1.617 3.806 1.00 0.00 H new ATOM 520 N LYS A 44 -2.096 4.648 0.296 1.00 0.00 N ATOM 521 CA LYS A 44 -2.370 5.896 -0.406 1.00 0.00 C ATOM 522 C LYS A 44 -1.198 6.856 -0.272 1.00 0.00 C ATOM 523 O LYS A 44 -0.937 7.393 0.805 1.00 0.00 O ATOM 524 CB LYS A 44 -3.655 6.540 0.104 1.00 0.00 C ATOM 525 CG LYS A 44 -4.908 5.817 -0.364 1.00 0.00 C ATOM 526 CD LYS A 44 -5.243 4.656 0.554 1.00 0.00 C ATOM 527 CE LYS A 44 -6.532 4.897 1.321 1.00 0.00 C ATOM 528 NZ LYS A 44 -7.610 5.436 0.447 1.00 0.00 N ATOM 0 H LYS A 44 -1.472 4.741 1.098 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.506 5.665 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.638 6.558 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.693 7.576 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.745 6.515 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.762 5.451 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.335 3.743 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.425 4.501 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.865 3.962 1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.343 5.595 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.524 5.031 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.646 6.471 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.414 5.183 -0.542 1.00 0.00 H new ATOM 542 N HIS A 45 -0.488 7.055 -1.375 1.00 0.00 N ATOM 543 CA HIS A 45 0.667 7.938 -1.395 1.00 0.00 C ATOM 544 C HIS A 45 0.623 8.861 -2.611 1.00 0.00 C ATOM 545 O HIS A 45 -0.443 9.109 -3.174 1.00 0.00 O ATOM 546 CB HIS A 45 1.946 7.106 -1.415 1.00 0.00 C ATOM 547 CG HIS A 45 2.954 7.540 -0.397 1.00 0.00 C ATOM 548 ND1 HIS A 45 4.283 7.750 -0.697 1.00 0.00 N ATOM 549 CD2 HIS A 45 2.821 7.809 0.923 1.00 0.00 C ATOM 550 CE1 HIS A 45 4.924 8.129 0.394 1.00 0.00 C ATOM 551 NE2 HIS A 45 4.060 8.173 1.390 1.00 0.00 N ATOM 0 H HIS A 45 -0.695 6.613 -2.271 1.00 0.00 H new ATOM 0 HA HIS A 45 0.650 8.556 -0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.693 6.060 -1.242 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.394 7.165 -2.407 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.911 7.749 1.501 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.976 8.363 0.460 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.277 8.435 2.352 1.00 0.00 H new ATOM 560 N LYS A 46 1.789 9.360 -3.017 1.00 0.00 N ATOM 561 CA LYS A 46 1.883 10.244 -4.169 1.00 0.00 C ATOM 562 C LYS A 46 0.967 11.452 -4.014 1.00 0.00 C ATOM 563 O LYS A 46 0.307 11.872 -4.965 1.00 0.00 O ATOM 564 CB LYS A 46 1.543 9.487 -5.454 1.00 0.00 C ATOM 565 CG LYS A 46 2.482 8.328 -5.758 1.00 0.00 C ATOM 566 CD LYS A 46 3.940 8.763 -5.746 1.00 0.00 C ATOM 567 CE LYS A 46 4.879 7.573 -5.857 1.00 0.00 C ATOM 568 NZ LYS A 46 5.300 7.326 -7.263 1.00 0.00 N ATOM 0 H LYS A 46 2.681 9.165 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 46 2.911 10.602 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.524 9.106 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.562 10.185 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.333 7.537 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.236 7.907 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.122 9.450 -6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.150 9.309 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.760 7.747 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.386 6.684 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.612 6.339 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.498 7.503 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.084 7.964 -7.508 1.00 0.00 H new ATOM 582 N SER A 47 0.944 12.017 -2.815 1.00 0.00 N ATOM 583 CA SER A 47 0.130 13.185 -2.539 1.00 0.00 C ATOM 584 C SER A 47 0.931 14.449 -2.830 1.00 0.00 C ATOM 585 O SER A 47 1.102 15.306 -1.962 1.00 0.00 O ATOM 586 CB SER A 47 -0.342 13.176 -1.083 1.00 0.00 C ATOM 587 OG SER A 47 -1.210 14.264 -0.821 1.00 0.00 O ATOM 0 H SER A 47 1.483 11.681 -2.017 1.00 0.00 H new ATOM 0 HA SER A 47 -0.749 13.165 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.855 12.238 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.520 13.226 -0.418 1.00 0.00 H new ATOM 0 HG SER A 47 -0.732 15.107 -0.967 1.00 0.00 H new ATOM 593 N HIS A 48 1.430 14.548 -4.061 1.00 0.00 N ATOM 594 CA HIS A 48 2.231 15.696 -4.481 1.00 0.00 C ATOM 595 C HIS A 48 2.816 15.516 -5.891 1.00 0.00 C ATOM 596 O HIS A 48 2.922 16.489 -6.639 1.00 0.00 O ATOM 597 CB HIS A 48 3.368 15.964 -3.483 1.00 0.00 C ATOM 598 CG HIS A 48 4.209 14.759 -3.186 1.00 0.00 C ATOM 599 ND1 HIS A 48 3.858 13.804 -2.255 1.00 0.00 N ATOM 600 CD2 HIS A 48 5.385 14.346 -3.719 1.00 0.00 C ATOM 601 CE1 HIS A 48 4.778 12.857 -2.229 1.00 0.00 C ATOM 602 NE2 HIS A 48 5.716 13.161 -3.108 1.00 0.00 N ATOM 0 H HIS A 48 1.293 13.845 -4.787 1.00 0.00 H new ATOM 0 HA HIS A 48 1.557 16.553 -4.504 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.007 16.753 -3.878 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.941 16.336 -2.552 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.956 14.854 -4.482 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.766 11.982 -1.596 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.550 12.606 -3.301 1.00 0.00 H new ATOM 611 N PRO A 49 3.221 14.286 -6.287 1.00 0.00 N ATOM 612 CA PRO A 49 3.805 14.036 -7.609 1.00 0.00 C ATOM 613 C PRO A 49 2.776 14.067 -8.731 1.00 0.00 C ATOM 614 O PRO A 49 1.574 14.184 -8.488 1.00 0.00 O ATOM 615 CB PRO A 49 4.415 12.629 -7.484 1.00 0.00 C ATOM 616 CG PRO A 49 4.355 12.299 -6.031 1.00 0.00 C ATOM 617 CD PRO A 49 3.171 13.046 -5.505 1.00 0.00 C ATOM 0 HA PRO A 49 4.528 14.808 -7.871 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.855 11.904 -8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.442 12.612 -7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.244 11.226 -5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.269 12.602 -5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.241 12.501 -5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.251 13.235 -4.434 1.00 0.00 H new ATOM 625 N ARG A 50 3.263 13.958 -9.962 1.00 0.00 N ATOM 626 CA ARG A 50 2.401 13.969 -11.134 1.00 0.00 C ATOM 627 C ARG A 50 2.326 12.580 -11.757 1.00 0.00 C ATOM 628 O ARG A 50 1.266 12.152 -12.213 1.00 0.00 O ATOM 629 CB ARG A 50 2.913 14.978 -12.164 1.00 0.00 C ATOM 630 CG ARG A 50 3.157 16.363 -11.588 1.00 0.00 C ATOM 631 CD ARG A 50 2.704 17.453 -12.546 1.00 0.00 C ATOM 632 NE ARG A 50 2.495 18.729 -11.864 1.00 0.00 N ATOM 633 CZ ARG A 50 3.483 19.526 -11.463 1.00 0.00 C ATOM 634 NH1 ARG A 50 4.748 19.184 -11.673 1.00 0.00 N ATOM 635 NH2 ARG A 50 3.204 20.669 -10.850 1.00 0.00 N ATOM 0 H ARG A 50 4.256 13.861 -10.173 1.00 0.00 H new ATOM 0 HA ARG A 50 1.400 14.265 -10.819 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.841 14.604 -12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.191 15.053 -12.977 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.624 16.464 -10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.218 16.486 -11.371 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.450 17.579 -13.331 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.778 17.146 -13.033 1.00 0.00 H new ATOM 0 HE ARG A 50 1.536 19.026 -11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.968 18.306 -12.144 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.501 19.799 -11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.233 20.936 -10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.960 21.280 -10.542 1.00 0.00 H new ATOM 649 N ARG A 51 3.461 11.880 -11.766 1.00 0.00 N ATOM 650 CA ARG A 51 3.541 10.529 -12.324 1.00 0.00 C ATOM 651 C ARG A 51 4.995 10.121 -12.546 1.00 0.00 C ATOM 652 O ARG A 51 5.741 10.803 -13.248 1.00 0.00 O ATOM 653 CB ARG A 51 2.775 10.433 -13.651 1.00 0.00 C ATOM 654 CG ARG A 51 1.570 9.508 -13.595 1.00 0.00 C ATOM 655 CD ARG A 51 1.503 8.600 -14.813 1.00 0.00 C ATOM 656 NE ARG A 51 1.763 9.324 -16.055 1.00 0.00 N ATOM 657 CZ ARG A 51 1.814 8.746 -17.253 1.00 0.00 C ATOM 658 NH1 ARG A 51 1.621 7.438 -17.374 1.00 0.00 N ATOM 659 NH2 ARG A 51 2.057 9.476 -18.332 1.00 0.00 N ATOM 0 H ARG A 51 4.343 12.229 -11.391 1.00 0.00 H new ATOM 0 HA ARG A 51 3.084 9.850 -11.604 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.444 11.430 -13.942 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.455 10.083 -14.428 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.618 8.901 -12.691 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.658 10.101 -13.532 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.230 7.795 -14.705 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.518 8.136 -14.864 1.00 0.00 H new ATOM 0 HE ARG A 51 1.914 10.331 -16.001 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.433 6.872 -16.547 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.661 7.000 -18.294 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.205 10.481 -18.245 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.096 9.032 -19.250 1.00 0.00 H new ATOM 673 N SER A 52 5.386 9.002 -11.947 1.00 0.00 N ATOM 674 CA SER A 52 6.747 8.493 -12.081 1.00 0.00 C ATOM 675 C SER A 52 7.752 9.460 -11.467 1.00 0.00 C ATOM 676 O SER A 52 8.846 9.657 -11.996 1.00 0.00 O ATOM 677 CB SER A 52 7.085 8.250 -13.554 1.00 0.00 C ATOM 678 OG SER A 52 6.791 6.916 -13.930 1.00 0.00 O ATOM 0 H SER A 52 4.778 8.428 -11.362 1.00 0.00 H new ATOM 0 HA SER A 52 6.807 7.546 -11.544 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.519 8.941 -14.179 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.141 8.456 -13.727 1.00 0.00 H new ATOM 0 HG SER A 52 7.014 6.786 -14.875 1.00 0.00 H new ATOM 684 N ARG A 53 7.372 10.061 -10.346 1.00 0.00 N ATOM 685 CA ARG A 53 8.238 11.007 -9.656 1.00 0.00 C ATOM 686 C ARG A 53 8.922 10.343 -8.466 1.00 0.00 C ATOM 687 O ARG A 53 8.260 9.819 -7.570 1.00 0.00 O ATOM 688 CB ARG A 53 7.430 12.220 -9.191 1.00 0.00 C ATOM 689 CG ARG A 53 8.104 13.550 -9.485 1.00 0.00 C ATOM 690 CD ARG A 53 8.799 14.108 -8.252 1.00 0.00 C ATOM 691 NE ARG A 53 8.558 15.539 -8.088 1.00 0.00 N ATOM 692 CZ ARG A 53 8.727 16.193 -6.941 1.00 0.00 C ATOM 693 NH1 ARG A 53 9.139 15.549 -5.856 1.00 0.00 N ATOM 694 NH2 ARG A 53 8.483 17.494 -6.878 1.00 0.00 N ATOM 0 H ARG A 53 6.469 9.910 -9.896 1.00 0.00 H new ATOM 0 HA ARG A 53 9.007 11.340 -10.353 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.453 12.202 -9.675 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.256 12.140 -8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.831 13.421 -10.287 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.361 14.265 -9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.448 13.578 -7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.871 13.927 -8.327 1.00 0.00 H new ATOM 0 HE ARG A 53 8.242 16.069 -8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.328 14.548 -5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.267 16.056 -4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.166 17.994 -7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.612 17.995 -5.999 1.00 0.00 H new ATOM 708 N ARG A 54 10.252 10.365 -8.466 1.00 0.00 N ATOM 709 CA ARG A 54 11.034 9.761 -7.390 1.00 0.00 C ATOM 710 C ARG A 54 10.498 10.164 -6.018 1.00 0.00 C ATOM 711 O ARG A 54 10.533 11.336 -5.644 1.00 0.00 O ATOM 712 CB ARG A 54 12.504 10.163 -7.512 1.00 0.00 C ATOM 713 CG ARG A 54 12.733 11.664 -7.441 1.00 0.00 C ATOM 714 CD ARG A 54 14.148 12.031 -7.856 1.00 0.00 C ATOM 715 NE ARG A 54 14.466 13.423 -7.547 1.00 0.00 N ATOM 716 CZ ARG A 54 13.967 14.462 -8.212 1.00 0.00 C ATOM 717 NH1 ARG A 54 13.126 14.272 -9.220 1.00 0.00 N ATOM 718 NH2 ARG A 54 14.309 15.696 -7.866 1.00 0.00 N ATOM 0 H ARG A 54 10.813 10.796 -9.201 1.00 0.00 H new ATOM 0 HA ARG A 54 10.947 8.679 -7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.071 9.679 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.897 9.788 -8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.019 12.173 -8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.548 12.014 -6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.856 11.376 -7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.268 11.861 -8.926 1.00 0.00 H new ATOM 0 HE ARG A 54 15.108 13.609 -6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.858 13.325 -9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.747 15.073 -9.726 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.954 15.848 -7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.927 16.493 -8.375 1.00 0.00 H new ATOM 732 N SER A 55 10.003 9.180 -5.274 1.00 0.00 N ATOM 733 CA SER A 55 9.459 9.418 -3.942 1.00 0.00 C ATOM 734 C SER A 55 9.064 8.103 -3.285 1.00 0.00 C ATOM 735 O SER A 55 9.576 7.748 -2.224 1.00 0.00 O ATOM 736 CB SER A 55 8.246 10.342 -4.017 1.00 0.00 C ATOM 737 OG SER A 55 8.640 11.703 -4.071 1.00 0.00 O ATOM 0 H SER A 55 9.968 8.205 -5.573 1.00 0.00 H new ATOM 0 HA SER A 55 10.231 9.897 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.653 10.097 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.608 10.180 -3.148 1.00 0.00 H new ATOM 0 HG SER A 55 9.576 11.762 -4.355 1.00 0.00 H new ATOM 743 N ALA A 56 8.152 7.381 -3.926 1.00 0.00 N ATOM 744 CA ALA A 56 7.695 6.100 -3.409 1.00 0.00 C ATOM 745 C ALA A 56 8.787 5.049 -3.558 1.00 0.00 C ATOM 746 O ALA A 56 9.216 4.742 -4.670 1.00 0.00 O ATOM 747 CB ALA A 56 6.426 5.664 -4.126 1.00 0.00 C ATOM 0 H ALA A 56 7.716 7.662 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 56 7.469 6.210 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.095 4.704 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.646 6.409 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.626 5.566 -5.193 1.00 0.00 H new ATOM 753 N LEU A 57 9.250 4.516 -2.434 1.00 0.00 N ATOM 754 CA LEU A 57 10.312 3.520 -2.452 1.00 0.00 C ATOM 755 C LEU A 57 10.226 2.581 -1.252 1.00 0.00 C ATOM 756 O LEU A 57 9.997 1.382 -1.406 1.00 0.00 O ATOM 757 CB LEU A 57 11.666 4.218 -2.462 1.00 0.00 C ATOM 758 CG LEU A 57 11.747 5.460 -1.575 1.00 0.00 C ATOM 759 CD1 LEU A 57 12.764 5.256 -0.466 1.00 0.00 C ATOM 760 CD2 LEU A 57 12.080 6.682 -2.408 1.00 0.00 C ATOM 0 H LEU A 57 8.908 4.756 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 57 10.195 2.920 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.429 3.508 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.906 4.503 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 57 10.775 5.624 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.809 6.150 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.469 4.403 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.745 5.068 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.134 7.559 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.041 6.535 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.305 6.832 -3.160 1.00 0.00 H new ATOM 766 N HIS A 58 10.422 3.133 -0.054 1.00 0.00 N ATOM 767 CA HIS A 58 10.377 2.343 1.176 1.00 0.00 C ATOM 768 C HIS A 58 9.143 1.450 1.211 1.00 0.00 C ATOM 769 O HIS A 58 9.149 0.395 1.843 1.00 0.00 O ATOM 770 CB HIS A 58 10.404 3.247 2.419 1.00 0.00 C ATOM 771 CG HIS A 58 9.905 4.641 2.184 1.00 0.00 C ATOM 772 ND1 HIS A 58 8.669 4.919 1.640 1.00 0.00 N ATOM 773 CD2 HIS A 58 10.488 5.840 2.421 1.00 0.00 C ATOM 774 CE1 HIS A 58 8.513 6.229 1.553 1.00 0.00 C ATOM 775 NE2 HIS A 58 9.603 6.809 2.020 1.00 0.00 N ATOM 0 H HIS A 58 10.613 4.124 0.090 1.00 0.00 H new ATOM 0 HA HIS A 58 11.265 1.711 1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.801 2.786 3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 58 11.426 3.299 2.793 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.467 6.003 2.846 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.642 6.738 1.166 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.762 7.815 2.074 1.00 0.00 H new ATOM 784 N ILE A 59 8.087 1.872 0.524 1.00 0.00 N ATOM 785 CA ILE A 59 6.855 1.097 0.479 1.00 0.00 C ATOM 786 C ILE A 59 7.069 -0.247 -0.210 1.00 0.00 C ATOM 787 O ILE A 59 6.223 -1.134 -0.128 1.00 0.00 O ATOM 788 CB ILE A 59 5.729 1.866 -0.233 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.387 1.148 -0.035 1.00 0.00 C ATOM 790 CG2 ILE A 59 6.045 2.061 -1.710 1.00 0.00 C ATOM 791 CD1 ILE A 59 4.034 0.168 -1.136 1.00 0.00 C ATOM 0 H ILE A 59 8.060 2.743 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 59 6.558 0.920 1.513 1.00 0.00 H new ATOM 0 HB ILE A 59 5.652 2.857 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.410 0.615 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.596 1.895 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.231 2.607 -2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.971 2.627 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.159 1.089 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.071 -0.294 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.975 0.696 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.802 -0.604 -1.196 1.00 0.00 H new ATOM 795 N THR A 60 8.210 -0.402 -0.876 1.00 0.00 N ATOM 796 CA THR A 60 8.524 -1.651 -1.557 1.00 0.00 C ATOM 797 C THR A 60 9.312 -2.576 -0.633 1.00 0.00 C ATOM 798 O THR A 60 10.039 -3.457 -1.093 1.00 0.00 O ATOM 799 CB THR A 60 9.325 -1.377 -2.831 1.00 0.00 C ATOM 800 OG1 THR A 60 8.954 -0.134 -3.397 1.00 0.00 O ATOM 801 CG2 THR A 60 9.141 -2.440 -3.893 1.00 0.00 C ATOM 0 H THR A 60 8.928 0.318 -0.958 1.00 0.00 H new ATOM 0 HA THR A 60 7.588 -2.140 -1.829 1.00 0.00 H new ATOM 0 HB THR A 60 10.370 -1.373 -2.522 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.343 0.595 -2.870 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.736 -2.185 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.465 -3.405 -3.502 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.089 -2.497 -4.172 1.00 0.00 H new ATOM 806 N LYS A 61 9.168 -2.363 0.673 1.00 0.00 N ATOM 807 CA LYS A 61 9.870 -3.168 1.663 1.00 0.00 C ATOM 808 C LYS A 61 8.884 -3.936 2.547 1.00 0.00 C ATOM 809 O LYS A 61 8.901 -5.165 2.581 1.00 0.00 O ATOM 810 CB LYS A 61 10.821 -2.262 2.483 1.00 0.00 C ATOM 811 CG LYS A 61 10.544 -2.165 3.985 1.00 0.00 C ATOM 812 CD LYS A 61 9.668 -0.963 4.328 1.00 0.00 C ATOM 813 CE LYS A 61 10.459 0.335 4.346 1.00 0.00 C ATOM 814 NZ LYS A 61 11.525 0.325 5.384 1.00 0.00 N ATOM 0 H LYS A 61 8.570 -1.638 1.068 1.00 0.00 H new ATOM 0 HA LYS A 61 10.475 -3.920 1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.840 -2.625 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.781 -1.257 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.055 -3.078 4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.489 -2.091 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.860 -0.885 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.205 -1.119 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.908 0.499 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.782 1.169 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.796 1.303 5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.171 -0.145 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.355 -0.189 5.025 1.00 0.00 H new ATOM 828 N ARG A 62 8.030 -3.210 3.259 1.00 0.00 N ATOM 829 CA ARG A 62 7.044 -3.828 4.137 1.00 0.00 C ATOM 830 C ARG A 62 5.796 -4.264 3.369 1.00 0.00 C ATOM 831 O ARG A 62 5.031 -5.102 3.844 1.00 0.00 O ATOM 832 CB ARG A 62 6.664 -2.868 5.265 1.00 0.00 C ATOM 833 CG ARG A 62 7.707 -2.778 6.368 1.00 0.00 C ATOM 834 CD ARG A 62 7.220 -3.426 7.654 1.00 0.00 C ATOM 835 NE ARG A 62 8.304 -4.082 8.383 1.00 0.00 N ATOM 836 CZ ARG A 62 8.689 -5.340 8.172 1.00 0.00 C ATOM 837 NH1 ARG A 62 8.087 -6.083 7.252 1.00 0.00 N ATOM 838 NH2 ARG A 62 9.683 -5.855 8.882 1.00 0.00 N ATOM 0 H ARG A 62 8.001 -2.191 3.245 1.00 0.00 H new ATOM 0 HA ARG A 62 7.497 -4.722 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.504 -1.874 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.716 -3.188 5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.626 -3.264 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.949 -1.732 6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.762 -2.669 8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.446 -4.157 7.421 1.00 0.00 H new ATOM 0 HE ARG A 62 8.796 -3.544 9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.324 -5.692 6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.388 -7.045 7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.152 -5.288 9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.979 -6.818 8.722 1.00 0.00 H new ATOM 852 N LEU A 63 5.587 -3.690 2.186 1.00 0.00 N ATOM 853 CA LEU A 63 4.423 -4.025 1.371 1.00 0.00 C ATOM 854 C LEU A 63 4.515 -5.463 0.892 1.00 0.00 C ATOM 855 O LEU A 63 3.636 -6.277 1.175 1.00 0.00 O ATOM 856 CB LEU A 63 4.315 -3.055 0.182 1.00 0.00 C ATOM 857 CG LEU A 63 3.010 -3.088 -0.627 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.618 -4.508 -0.996 1.00 0.00 C ATOM 859 CD2 LEU A 63 1.889 -2.398 0.137 1.00 0.00 C ATOM 0 H LEU A 63 6.206 -2.993 1.772 1.00 0.00 H new ATOM 0 HA LEU A 63 3.523 -3.926 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.455 -2.041 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.141 -3.260 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 63 3.181 -2.544 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.690 -4.492 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.407 -4.959 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.475 -5.094 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.973 -2.432 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.728 -2.908 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.162 -1.359 0.324 1.00 0.00 H new ATOM 865 N SER A 64 5.584 -5.776 0.177 1.00 0.00 N ATOM 866 CA SER A 64 5.773 -7.131 -0.317 1.00 0.00 C ATOM 867 C SER A 64 6.113 -8.055 0.844 1.00 0.00 C ATOM 868 O SER A 64 5.659 -9.199 0.902 1.00 0.00 O ATOM 869 CB SER A 64 6.863 -7.179 -1.387 1.00 0.00 C ATOM 870 OG SER A 64 7.680 -6.022 -1.340 1.00 0.00 O ATOM 0 H SER A 64 6.325 -5.121 -0.072 1.00 0.00 H new ATOM 0 HA SER A 64 4.845 -7.468 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.478 -8.067 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.405 -7.264 -2.372 1.00 0.00 H new ATOM 0 HG SER A 64 8.370 -6.080 -2.034 1.00 0.00 H new ATOM 876 N ASP A 65 6.897 -7.540 1.790 1.00 0.00 N ATOM 877 CA ASP A 65 7.267 -8.315 2.964 1.00 0.00 C ATOM 878 C ASP A 65 6.015 -8.709 3.738 1.00 0.00 C ATOM 879 O ASP A 65 5.866 -9.860 4.149 1.00 0.00 O ATOM 880 CB ASP A 65 8.219 -7.521 3.861 1.00 0.00 C ATOM 881 CG ASP A 65 8.732 -8.339 5.030 1.00 0.00 C ATOM 882 OD1 ASP A 65 7.952 -9.142 5.583 1.00 0.00 O ATOM 883 OD2 ASP A 65 9.915 -8.175 5.396 1.00 0.00 O ATOM 0 H ASP A 65 7.284 -6.596 1.764 1.00 0.00 H new ATOM 0 HA ASP A 65 7.783 -9.218 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.064 -7.170 3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.705 -6.637 4.238 1.00 0.00 H new ATOM 888 N ASP A 66 5.102 -7.753 3.915 1.00 0.00 N ATOM 889 CA ASP A 66 3.854 -8.026 4.617 1.00 0.00 C ATOM 890 C ASP A 66 2.858 -8.699 3.677 1.00 0.00 C ATOM 891 O ASP A 66 1.947 -9.395 4.117 1.00 0.00 O ATOM 892 CB ASP A 66 3.256 -6.734 5.178 1.00 0.00 C ATOM 893 CG ASP A 66 4.149 -6.091 6.221 1.00 0.00 C ATOM 894 OD1 ASP A 66 5.387 -6.168 6.074 1.00 0.00 O ATOM 895 OD2 ASP A 66 3.609 -5.510 7.188 1.00 0.00 O ATOM 0 H ASP A 66 5.204 -6.793 3.585 1.00 0.00 H new ATOM 0 HA ASP A 66 4.067 -8.698 5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.088 -6.030 4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.283 -6.949 5.619 1.00 0.00 H new ATOM 900 N ASP A 67 3.053 -8.487 2.376 1.00 0.00 N ATOM 901 CA ASP A 67 2.190 -9.064 1.352 1.00 0.00 C ATOM 902 C ASP A 67 2.112 -10.585 1.480 1.00 0.00 C ATOM 903 O ASP A 67 1.197 -11.214 0.949 1.00 0.00 O ATOM 904 CB ASP A 67 2.715 -8.676 -0.036 1.00 0.00 C ATOM 905 CG ASP A 67 2.134 -9.523 -1.154 1.00 0.00 C ATOM 906 OD1 ASP A 67 0.967 -9.943 -1.033 1.00 0.00 O ATOM 907 OD2 ASP A 67 2.849 -9.766 -2.148 1.00 0.00 O ATOM 0 H ASP A 67 3.810 -7.913 2.006 1.00 0.00 H new ATOM 0 HA ASP A 67 1.183 -8.669 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.483 -7.628 -0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.801 -8.769 -0.045 1.00 0.00 H new ATOM 912 N ARG A 68 3.070 -11.172 2.190 1.00 0.00 N ATOM 913 CA ARG A 68 3.102 -12.621 2.383 1.00 0.00 C ATOM 914 C ARG A 68 1.725 -13.153 2.758 1.00 0.00 C ATOM 915 O ARG A 68 1.400 -14.309 2.490 1.00 0.00 O ATOM 916 CB ARG A 68 4.125 -12.994 3.459 1.00 0.00 C ATOM 917 CG ARG A 68 3.734 -12.540 4.857 1.00 0.00 C ATOM 918 CD ARG A 68 4.950 -12.124 5.671 1.00 0.00 C ATOM 919 NE ARG A 68 4.989 -12.785 6.974 1.00 0.00 N ATOM 920 CZ ARG A 68 5.699 -12.342 8.009 1.00 0.00 C ATOM 921 NH1 ARG A 68 6.432 -11.240 7.900 1.00 0.00 N ATOM 922 NH2 ARG A 68 5.677 -13.003 9.159 1.00 0.00 N ATOM 0 H ARG A 68 3.834 -10.669 2.641 1.00 0.00 H new ATOM 0 HA ARG A 68 3.399 -13.080 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.258 -14.076 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.088 -12.555 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.039 -11.704 4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.211 -13.347 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.857 -12.363 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.939 -11.043 5.813 1.00 0.00 H new ATOM 0 HE ARG A 68 4.440 -13.636 7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.454 -10.727 7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.973 -10.907 8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.116 -13.850 9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.221 -12.664 9.953 1.00 0.00 H new ATOM 936 N VAL A 69 0.915 -12.292 3.363 1.00 0.00 N ATOM 937 CA VAL A 69 -0.438 -12.657 3.759 1.00 0.00 C ATOM 938 C VAL A 69 -1.151 -13.404 2.645 1.00 0.00 C ATOM 939 O VAL A 69 -1.624 -14.526 2.831 1.00 0.00 O ATOM 940 CB VAL A 69 -1.289 -11.421 4.109 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.419 -11.263 5.617 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.724 -10.154 3.475 1.00 0.00 C ATOM 0 H VAL A 69 1.174 -11.332 3.590 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.333 -13.291 4.639 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.285 -11.578 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.024 -10.384 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.897 -12.148 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.429 -11.143 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.350 -9.303 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.290 -9.987 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.709 -10.265 2.391 1.00 0.00 H new ATOM 946 N THR A 70 -1.229 -12.764 1.486 1.00 0.00 N ATOM 947 CA THR A 70 -1.888 -13.350 0.334 1.00 0.00 C ATOM 948 C THR A 70 -1.321 -12.780 -0.960 1.00 0.00 C ATOM 949 O THR A 70 -0.508 -13.421 -1.626 1.00 0.00 O ATOM 950 CB THR A 70 -3.392 -13.119 0.392 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.897 -13.345 1.697 1.00 0.00 O ATOM 952 CG2 THR A 70 -4.160 -14.000 -0.564 1.00 0.00 C ATOM 0 H THR A 70 -0.841 -11.835 1.322 1.00 0.00 H new ATOM 0 HA THR A 70 -1.702 -14.424 0.354 1.00 0.00 H new ATOM 0 HB THR A 70 -3.535 -12.078 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.823 -13.660 1.639 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.226 -13.789 -0.477 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.833 -13.801 -1.585 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.976 -15.047 -0.322 1.00 0.00 H new ATOM 957 N TRP A 71 -1.738 -11.565 -1.306 1.00 0.00 N ATOM 958 CA TRP A 71 -1.241 -10.918 -2.516 1.00 0.00 C ATOM 959 C TRP A 71 -1.223 -9.414 -2.366 1.00 0.00 C ATOM 960 O TRP A 71 -2.028 -8.836 -1.637 1.00 0.00 O ATOM 961 CB TRP A 71 -2.061 -11.310 -3.746 1.00 0.00 C ATOM 962 CG TRP A 71 -3.360 -10.574 -3.863 1.00 0.00 C ATOM 963 CD1 TRP A 71 -4.576 -11.033 -3.480 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.574 -9.255 -4.392 1.00 0.00 C ATOM 965 NE1 TRP A 71 -5.543 -10.095 -3.740 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.954 -8.993 -4.297 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.739 -8.271 -4.935 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.518 -7.794 -4.724 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -3.305 -7.078 -5.357 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.681 -6.851 -5.249 1.00 0.00 C ATOM 0 H TRP A 71 -2.411 -11.014 -0.773 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.219 -11.267 -2.663 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.467 -11.126 -4.641 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.262 -12.381 -3.712 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.758 -11.999 -3.034 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.539 -10.202 -3.549 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.676 -8.438 -5.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.580 -7.616 -4.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.672 -6.310 -5.777 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.090 -5.911 -5.588 1.00 0.00 H new ATOM 981 N ALA A 72 -0.286 -8.792 -3.058 1.00 0.00 N ATOM 982 CA ALA A 72 -0.136 -7.354 -3.005 1.00 0.00 C ATOM 983 C ALA A 72 0.405 -6.799 -4.317 1.00 0.00 C ATOM 984 O ALA A 72 1.516 -7.128 -4.735 1.00 0.00 O ATOM 985 CB ALA A 72 0.771 -6.985 -1.847 1.00 0.00 C ATOM 0 H ALA A 72 0.384 -9.265 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.118 -6.907 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.885 -5.902 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.333 -7.340 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.748 -7.448 -1.988 1.00 0.00 H new ATOM 991 N GLU A 73 -0.391 -5.949 -4.957 1.00 0.00 N ATOM 992 CA GLU A 73 -0.003 -5.334 -6.220 1.00 0.00 C ATOM 993 C GLU A 73 -0.386 -3.859 -6.230 1.00 0.00 C ATOM 994 O GLU A 73 -1.492 -3.494 -5.831 1.00 0.00 O ATOM 995 CB GLU A 73 -0.668 -6.056 -7.393 1.00 0.00 C ATOM 996 CG GLU A 73 -0.044 -5.727 -8.740 1.00 0.00 C ATOM 997 CD GLU A 73 1.138 -6.620 -9.068 1.00 0.00 C ATOM 998 OE1 GLU A 73 2.274 -6.264 -8.689 1.00 0.00 O ATOM 999 OE2 GLU A 73 0.927 -7.674 -9.704 1.00 0.00 O ATOM 0 H GLU A 73 -1.312 -5.670 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 73 1.079 -5.418 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.610 -7.132 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.726 -5.794 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.798 -5.828 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.280 -4.686 -8.742 1.00 0.00 H new ATOM 1006 N GLN A 74 0.534 -3.014 -6.678 1.00 0.00 N ATOM 1007 CA GLN A 74 0.289 -1.579 -6.727 1.00 0.00 C ATOM 1008 C GLN A 74 -0.329 -1.173 -8.061 1.00 0.00 C ATOM 1009 O GLN A 74 -0.116 -1.829 -9.081 1.00 0.00 O ATOM 1010 CB GLN A 74 1.592 -0.808 -6.503 1.00 0.00 C ATOM 1011 CG GLN A 74 2.443 -1.358 -5.370 1.00 0.00 C ATOM 1012 CD GLN A 74 3.929 -1.213 -5.634 1.00 0.00 C ATOM 1013 OE1 GLN A 74 4.414 -1.544 -6.717 1.00 0.00 O ATOM 1014 NE2 GLN A 74 4.661 -0.716 -4.644 1.00 0.00 N ATOM 0 H GLN A 74 1.455 -3.297 -7.012 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.414 -1.333 -5.932 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.175 -0.823 -7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 74 1.355 0.235 -6.293 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.190 -0.839 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.205 -2.411 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.218 -0.455 -3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.667 -0.595 -4.764 1.00 0.00 H new ATOM 1021 N GLN A 75 -1.091 -0.086 -8.043 1.00 0.00 N ATOM 1022 CA GLN A 75 -1.738 0.414 -9.248 1.00 0.00 C ATOM 1023 C GLN A 75 -1.618 1.930 -9.323 1.00 0.00 C ATOM 1024 O GLN A 75 -2.076 2.640 -8.429 1.00 0.00 O ATOM 1025 CB GLN A 75 -3.212 0.005 -9.272 1.00 0.00 C ATOM 1026 CG GLN A 75 -3.438 -1.472 -8.989 1.00 0.00 C ATOM 1027 CD GLN A 75 -4.379 -2.120 -9.987 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -5.549 -2.357 -9.691 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -3.869 -2.409 -11.179 1.00 0.00 N ATOM 0 H GLN A 75 -1.276 0.466 -7.206 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.239 -0.023 -10.113 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.756 0.595 -8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.632 0.248 -10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.480 -1.992 -9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.844 -1.588 -7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.893 -2.195 -11.381 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.454 -2.845 -11.892 1.00 0.00 H new ATOM 1036 N TYR A 76 -0.993 2.416 -10.392 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.804 3.848 -10.586 1.00 0.00 C ATOM 1038 C TYR A 76 -1.282 4.280 -11.968 1.00 0.00 C ATOM 1039 O TYR A 76 -2.042 5.238 -12.092 1.00 99.99 O ATOM 1040 CB TYR A 76 0.668 4.220 -10.405 1.00 0.00 C ATOM 1041 CG TYR A 76 1.361 3.456 -9.298 1.00 0.00 C ATOM 1042 CD1 TYR A 76 1.933 2.213 -9.538 1.00 0.00 C ATOM 1043 CD2 TYR A 76 1.447 3.981 -8.016 1.00 0.00 C ATOM 1044 CE1 TYR A 76 2.570 1.516 -8.530 1.00 0.00 C ATOM 1045 CE2 TYR A 76 2.084 3.292 -7.003 1.00 0.00 C ATOM 1046 CZ TYR A 76 2.644 2.060 -7.264 1.00 0.00 C ATOM 1047 OH TYR A 76 3.279 1.369 -6.259 1.00 0.00 O ATOM 0 H TYR A 76 -0.608 1.836 -11.138 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.399 4.370 -9.836 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.196 4.042 -11.342 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.740 5.288 -10.197 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.879 1.785 -10.528 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.008 4.945 -7.807 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.008 0.550 -8.732 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.143 3.716 -6.012 1.00 0.00 H new ATOM 0 HH TYR A 76 3.244 1.891 -5.430 1.00 0.00 H new TER 1057 TYR A 76