USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 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 6 ASN : amide:sc= -5.37! C(o=-9.8!,f=-11!) USER MOD Set 1.2: A 48 HIS : no HE2:sc= -3.27 X(o=-9.8,f=-10) USER MOD Set 1.3: A 55 SER OG : rot 112:sc= -1.14 USER MOD Single : A 16 GLN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 0:sc= -1.31 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -7.27 K(o=-7.3,f=-12!) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -5.43! C(o=-8.2!,f=-5.4!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -135:sc= -1.88! (180deg=-3.65!) USER MOD Single : A 45 HIS : no HD1:sc= -2.02! C(o=-2!,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -52:sc= 0.135 USER MOD Single : A 52 SER OG : rot 69:sc= 0.107 USER MOD Single : A 58 HIS : no HD1:sc= -0.811 K(o=-0.81,f=-3.3!) USER MOD Single : A 60 THR OG1 : rot -63:sc= 1.03 USER MOD Single : A 61 LYS NZ :NH3+ -143:sc= -0.671 (180deg=-1.82!) USER MOD Single : A 64 SER OG : rot -146:sc= 0.276 USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.558 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.632 F(o=-1.8!,f=-0.63) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 76 TYR OH : rot -157:sc= -2.13! USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 4 -0.180 8.539 -13.252 1.00 0.00 N ATOM 2 CA PHE A 4 1.014 7.803 -12.758 1.00 0.00 C ATOM 3 C PHE A 4 1.451 8.308 -11.391 1.00 0.00 C ATOM 4 O PHE A 4 2.341 9.151 -11.281 1.00 0.00 O ATOM 5 CB PHE A 4 2.147 7.970 -13.772 1.00 0.00 C ATOM 6 CG PHE A 4 3.165 6.865 -13.727 1.00 0.00 C ATOM 7 CD1 PHE A 4 2.771 5.544 -13.564 1.00 0.00 C ATOM 8 CD2 PHE A 4 4.516 7.145 -13.851 1.00 0.00 C ATOM 9 CE1 PHE A 4 3.706 4.527 -13.524 1.00 0.00 C ATOM 10 CE2 PHE A 4 5.456 6.132 -13.811 1.00 0.00 C ATOM 11 CZ PHE A 4 5.049 4.821 -13.649 1.00 0.00 C ATOM 0 HA PHE A 4 0.761 6.748 -12.649 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.721 8.020 -14.774 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.648 8.921 -13.591 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.722 5.308 -13.467 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.839 8.167 -13.981 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.386 3.503 -13.395 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.506 6.365 -13.906 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.781 4.027 -13.620 1.00 0.00 H new ATOM 21 N VAL A 5 0.823 7.777 -10.349 1.00 0.00 N ATOM 22 CA VAL A 5 1.147 8.157 -8.980 1.00 0.00 C ATOM 23 C VAL A 5 1.574 6.924 -8.182 1.00 0.00 C ATOM 24 O VAL A 5 2.759 6.597 -8.138 1.00 0.00 O ATOM 25 CB VAL A 5 -0.041 8.887 -8.294 1.00 0.00 C ATOM 26 CG1 VAL A 5 -1.378 8.303 -8.733 1.00 0.00 C ATOM 27 CG2 VAL A 5 0.091 8.863 -6.776 1.00 0.00 C ATOM 0 H VAL A 5 0.083 7.079 -10.427 1.00 0.00 H new ATOM 0 HA VAL A 5 1.980 8.860 -9.008 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.009 9.929 -8.614 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.189 8.835 -8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.484 8.408 -9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.419 7.247 -8.465 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.757 9.382 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.108 7.830 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.016 9.359 -6.483 1.00 0.00 H new ATOM 31 N ASN A 6 0.607 6.230 -7.577 1.00 0.00 N ATOM 32 CA ASN A 6 0.877 5.015 -6.803 1.00 0.00 C ATOM 33 C ASN A 6 -0.210 4.748 -5.770 1.00 0.00 C ATOM 34 O ASN A 6 -0.369 5.492 -4.802 1.00 0.00 O ATOM 35 CB ASN A 6 2.234 5.066 -6.095 1.00 0.00 C ATOM 36 CG ASN A 6 2.495 6.398 -5.420 1.00 0.00 C ATOM 37 OD1 ASN A 6 1.679 6.884 -4.638 1.00 0.00 O ATOM 38 ND2 ASN A 6 3.641 6.998 -5.722 1.00 0.00 N ATOM 0 H ASN A 6 -0.378 6.492 -7.609 1.00 0.00 H new ATOM 0 HA ASN A 6 0.891 4.201 -7.528 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.280 4.271 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.024 4.870 -6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.873 7.897 -5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.289 6.559 -6.376 1.00 0.00 H new ATOM 43 N GLU A 7 -0.927 3.657 -5.977 1.00 0.00 N ATOM 44 CA GLU A 7 -1.982 3.226 -5.075 1.00 0.00 C ATOM 45 C GLU A 7 -1.865 1.723 -4.890 1.00 0.00 C ATOM 46 O GLU A 7 -2.173 0.955 -5.801 1.00 0.00 O ATOM 47 CB GLU A 7 -3.360 3.591 -5.630 1.00 0.00 C ATOM 48 CG GLU A 7 -3.433 4.999 -6.199 1.00 0.00 C ATOM 49 CD GLU A 7 -4.680 5.741 -5.759 1.00 0.00 C ATOM 50 OE1 GLU A 7 -5.146 5.500 -4.625 1.00 0.00 O ATOM 51 OE2 GLU A 7 -5.190 6.564 -6.547 1.00 0.00 O ATOM 0 H GLU A 7 -0.793 3.042 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.873 3.732 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.629 2.878 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.101 3.490 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.552 5.559 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.409 4.949 -7.288 1.00 0.00 H new ATOM 58 N TRP A 8 -1.382 1.304 -3.730 1.00 0.00 N ATOM 59 CA TRP A 8 -1.186 -0.110 -3.472 1.00 0.00 C ATOM 60 C TRP A 8 -2.435 -0.759 -2.897 1.00 0.00 C ATOM 61 O TRP A 8 -2.908 -0.390 -1.824 1.00 0.00 O ATOM 62 CB TRP A 8 0.003 -0.318 -2.531 1.00 0.00 C ATOM 63 CG TRP A 8 0.186 -1.744 -2.113 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.909 -2.702 -2.758 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.372 -2.370 -0.957 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.830 -3.890 -2.075 1.00 0.00 N ATOM 67 CE2 TRP A 8 0.049 -3.711 -0.961 1.00 0.00 C ATOM 68 CE3 TRP A 8 -1.187 -1.923 0.082 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.323 -4.609 0.040 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.552 -2.813 1.071 1.00 0.00 C ATOM 71 CH2 TRP A 8 -1.122 -4.141 1.044 1.00 0.00 C ATOM 0 H TRP A 8 -1.121 1.919 -2.959 1.00 0.00 H new ATOM 0 HA TRP A 8 -0.976 -0.592 -4.427 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.912 0.028 -3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.133 0.299 -1.643 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.463 -2.549 -3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.279 -4.764 -2.351 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.527 -0.898 0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.009 -5.637 0.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.182 -2.476 1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.427 -4.812 1.833 1.00 0.00 H new ATOM 82 N ALA A 9 -2.944 -1.745 -3.624 1.00 0.00 N ATOM 83 CA ALA A 9 -4.124 -2.486 -3.206 1.00 0.00 C ATOM 84 C ALA A 9 -3.776 -3.956 -3.039 1.00 0.00 C ATOM 85 O ALA A 9 -3.052 -4.528 -3.856 1.00 0.00 O ATOM 86 CB ALA A 9 -5.252 -2.315 -4.212 1.00 0.00 C ATOM 0 H ALA A 9 -2.552 -2.051 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.465 -2.092 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.124 -2.878 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.510 -1.259 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.931 -2.686 -5.185 1.00 0.00 H new ATOM 92 N ALA A 10 -4.276 -4.565 -1.974 1.00 0.00 N ATOM 93 CA ALA A 10 -3.988 -5.966 -1.715 1.00 0.00 C ATOM 94 C ALA A 10 -5.116 -6.653 -0.964 1.00 0.00 C ATOM 95 O ALA A 10 -5.960 -6.004 -0.349 1.00 0.00 O ATOM 96 CB ALA A 10 -2.696 -6.088 -0.928 1.00 0.00 C ATOM 0 H ALA A 10 -4.877 -4.116 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.885 -6.464 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.485 -7.140 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.878 -5.652 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.796 -5.560 0.020 1.00 0.00 H new ATOM 102 N GLU A 11 -5.097 -7.978 -1.007 1.00 0.00 N ATOM 103 CA GLU A 11 -6.085 -8.799 -0.322 1.00 0.00 C ATOM 104 C GLU A 11 -5.375 -9.684 0.690 1.00 0.00 C ATOM 105 O GLU A 11 -4.515 -10.490 0.324 1.00 0.00 O ATOM 106 CB GLU A 11 -6.844 -9.659 -1.322 1.00 0.00 C ATOM 107 CG GLU A 11 -8.354 -9.552 -1.205 1.00 0.00 C ATOM 108 CD GLU A 11 -9.053 -10.867 -1.488 1.00 0.00 C ATOM 109 OE1 GLU A 11 -8.780 -11.852 -0.771 1.00 0.00 O ATOM 110 OE2 GLU A 11 -9.875 -10.911 -2.428 1.00 0.00 O ATOM 0 H GLU A 11 -4.396 -8.514 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.800 -8.154 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.547 -9.374 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.552 -10.700 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.614 -9.214 -0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.716 -8.795 -1.900 1.00 0.00 H new ATOM 117 N ILE A 12 -5.712 -9.518 1.957 1.00 0.00 N ATOM 118 CA ILE A 12 -5.074 -10.299 3.006 1.00 0.00 C ATOM 119 C ILE A 12 -6.015 -10.506 4.202 1.00 0.00 C ATOM 120 O ILE A 12 -6.484 -9.547 4.812 1.00 0.00 O ATOM 121 CB ILE A 12 -3.722 -9.649 3.430 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.674 -9.292 4.923 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.428 -8.414 2.586 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.446 -8.034 5.271 1.00 0.00 C ATOM 0 H ILE A 12 -6.416 -8.857 2.284 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.852 -11.289 2.607 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.951 -10.399 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.074 -10.125 5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.634 -9.165 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.480 -7.977 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.367 -8.697 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.226 -7.684 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.368 -7.844 6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.032 -7.189 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.494 -8.164 5.001 1.00 0.00 H new ATOM 128 N PRO A 13 -6.328 -11.773 4.533 1.00 0.00 N ATOM 129 CA PRO A 13 -7.233 -12.112 5.640 1.00 0.00 C ATOM 130 C PRO A 13 -6.928 -11.366 6.940 1.00 0.00 C ATOM 131 O PRO A 13 -7.844 -10.992 7.672 1.00 0.00 O ATOM 132 CB PRO A 13 -7.003 -13.611 5.825 1.00 0.00 C ATOM 133 CG PRO A 13 -6.613 -14.101 4.476 1.00 0.00 C ATOM 134 CD PRO A 13 -5.844 -12.979 3.832 1.00 0.00 C ATOM 0 HA PRO A 13 -8.261 -11.832 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.220 -13.804 6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.904 -14.109 6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.002 -15.001 4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.492 -14.360 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.769 -13.109 3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.038 -12.924 2.761 1.00 0.00 H new ATOM 142 N GLY A 14 -5.647 -11.162 7.235 1.00 0.00 N ATOM 143 CA GLY A 14 -5.271 -10.481 8.452 1.00 0.00 C ATOM 144 C GLY A 14 -4.610 -9.146 8.200 1.00 0.00 C ATOM 145 O GLY A 14 -5.297 -8.139 8.022 1.00 0.00 O ATOM 0 H GLY A 14 -4.866 -11.458 6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.158 -10.331 9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.592 -11.115 9.022 1.00 0.00 H new ATOM 149 N GLY A 15 -3.273 -9.128 8.208 1.00 0.00 N ATOM 150 CA GLY A 15 -2.538 -7.891 7.999 1.00 0.00 C ATOM 151 C GLY A 15 -3.182 -6.723 8.716 1.00 0.00 C ATOM 152 O GLY A 15 -3.062 -5.580 8.297 1.00 0.00 O ATOM 0 H GLY A 15 -2.689 -9.951 8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.514 -8.013 8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.484 -7.677 6.932 1.00 0.00 H new ATOM 156 N GLN A 16 -3.881 -7.026 9.798 1.00 0.00 N ATOM 157 CA GLN A 16 -4.567 -6.017 10.575 1.00 0.00 C ATOM 158 C GLN A 16 -3.564 -5.128 11.298 1.00 0.00 C ATOM 159 O GLN A 16 -3.549 -3.910 11.110 1.00 0.00 O ATOM 160 CB GLN A 16 -5.512 -6.707 11.557 1.00 0.00 C ATOM 161 CG GLN A 16 -6.829 -7.128 10.925 1.00 0.00 C ATOM 162 CD GLN A 16 -7.896 -7.439 11.956 1.00 0.00 C ATOM 163 OE1 GLN A 16 -9.031 -6.972 11.852 1.00 0.00 O ATOM 164 NE2 GLN A 16 -7.537 -8.231 12.960 1.00 0.00 N ATOM 0 H GLN A 16 -3.986 -7.975 10.158 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.151 -5.375 9.916 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.017 -7.586 11.971 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.715 -6.034 12.390 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.184 -6.333 10.269 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.664 -8.007 10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.586 -8.596 13.007 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.213 -8.475 13.684 1.00 0.00 H new ATOM 171 N GLU A 17 -2.708 -5.744 12.103 1.00 0.00 N ATOM 172 CA GLU A 17 -1.683 -5.006 12.826 1.00 0.00 C ATOM 173 C GLU A 17 -0.519 -4.679 11.895 1.00 0.00 C ATOM 174 O GLU A 17 0.235 -3.735 12.132 1.00 0.00 O ATOM 175 CB GLU A 17 -1.187 -5.815 14.025 1.00 0.00 C ATOM 176 CG GLU A 17 -2.305 -6.460 14.829 1.00 0.00 C ATOM 177 CD GLU A 17 -2.286 -6.055 16.291 1.00 0.00 C ATOM 178 OE1 GLU A 17 -2.033 -4.865 16.573 1.00 0.00 O ATOM 179 OE2 GLU A 17 -2.523 -6.927 17.152 1.00 0.00 O ATOM 0 H GLU A 17 -2.704 -6.750 12.271 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.117 -4.075 13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.509 -6.592 13.673 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.610 -5.162 14.680 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.265 -6.185 14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.220 -7.544 14.756 1.00 0.00 H new ATOM 186 N ALA A 18 -0.380 -5.471 10.832 1.00 0.00 N ATOM 187 CA ALA A 18 0.687 -5.276 9.858 1.00 0.00 C ATOM 188 C ALA A 18 0.343 -4.170 8.864 1.00 0.00 C ATOM 189 O ALA A 18 1.082 -3.197 8.734 1.00 0.00 O ATOM 190 CB ALA A 18 0.971 -6.577 9.122 1.00 0.00 C ATOM 0 H ALA A 18 -0.997 -6.256 10.625 1.00 0.00 H new ATOM 0 HA ALA A 18 1.582 -4.969 10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.770 -6.418 8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.277 -7.341 9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.070 -6.906 8.603 1.00 0.00 H new ATOM 196 N ALA A 19 -0.786 -4.323 8.168 1.00 0.00 N ATOM 197 CA ALA A 19 -1.225 -3.334 7.185 1.00 0.00 C ATOM 198 C ALA A 19 -1.159 -1.931 7.763 1.00 0.00 C ATOM 199 O ALA A 19 -0.654 -1.005 7.126 1.00 0.00 O ATOM 200 CB ALA A 19 -2.633 -3.652 6.707 1.00 0.00 C ATOM 0 H ALA A 19 -1.411 -5.122 8.268 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.551 -3.378 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.946 -2.907 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.647 -4.640 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.317 -3.637 7.555 1.00 0.00 H new ATOM 206 N SER A 20 -1.652 -1.787 8.983 1.00 0.00 N ATOM 207 CA SER A 20 -1.632 -0.503 9.660 1.00 0.00 C ATOM 208 C SER A 20 -0.209 -0.154 10.084 1.00 0.00 C ATOM 209 O SER A 20 0.145 1.018 10.217 1.00 0.00 O ATOM 210 CB SER A 20 -2.553 -0.529 10.881 1.00 0.00 C ATOM 211 OG SER A 20 -2.731 0.772 11.414 1.00 0.00 O ATOM 0 H SER A 20 -2.071 -2.544 9.523 1.00 0.00 H new ATOM 0 HA SER A 20 -1.991 0.259 8.969 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.520 -0.946 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.132 -1.183 11.644 1.00 0.00 H new ATOM 0 HG SER A 20 -3.325 0.728 12.192 1.00 0.00 H new ATOM 217 N ALA A 21 0.601 -1.188 10.298 1.00 0.00 N ATOM 218 CA ALA A 21 1.982 -1.008 10.715 1.00 0.00 C ATOM 219 C ALA A 21 2.884 -0.614 9.547 1.00 0.00 C ATOM 220 O ALA A 21 3.816 0.171 9.715 1.00 0.00 O ATOM 221 CB ALA A 21 2.498 -2.278 11.374 1.00 0.00 C ATOM 0 H ALA A 21 0.319 -2.162 10.188 1.00 0.00 H new ATOM 0 HA ALA A 21 2.006 -0.191 11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.533 -2.133 11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.888 -2.509 12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.443 -3.104 10.665 1.00 0.00 H new ATOM 227 N ILE A 22 2.609 -1.161 8.363 1.00 0.00 N ATOM 228 CA ILE A 22 3.412 -0.853 7.185 1.00 0.00 C ATOM 229 C ILE A 22 3.345 0.633 6.872 1.00 0.00 C ATOM 230 O ILE A 22 4.371 1.299 6.725 1.00 0.00 O ATOM 231 CB ILE A 22 2.969 -1.645 5.929 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.195 -2.914 6.310 1.00 0.00 C ATOM 233 CG2 ILE A 22 4.187 -1.993 5.090 1.00 0.00 C ATOM 234 CD1 ILE A 22 2.045 -3.911 5.177 1.00 0.00 C ATOM 0 H ILE A 22 1.843 -1.814 8.197 1.00 0.00 H new ATOM 0 HA ILE A 22 4.433 -1.149 7.427 1.00 0.00 H new ATOM 0 HB ILE A 22 2.297 -1.017 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.703 -3.400 7.143 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.204 -2.630 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.874 -2.550 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.690 -1.077 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.872 -2.602 5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.487 -4.779 5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.509 -3.445 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.031 -4.227 4.837 1.00 0.00 H new ATOM 238 N ALA A 23 2.126 1.145 6.780 1.00 0.00 N ATOM 239 CA ALA A 23 1.906 2.555 6.494 1.00 0.00 C ATOM 240 C ALA A 23 2.654 3.434 7.492 1.00 0.00 C ATOM 241 O ALA A 23 3.168 4.495 7.142 1.00 0.00 O ATOM 242 CB ALA A 23 0.416 2.863 6.522 1.00 0.00 C ATOM 0 H ALA A 23 1.271 0.602 6.900 1.00 0.00 H new ATOM 0 HA ALA A 23 2.293 2.773 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.259 3.920 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.094 2.260 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.015 2.630 7.508 1.00 0.00 H new ATOM 248 N GLU A 24 2.703 2.985 8.738 1.00 0.00 N ATOM 249 CA GLU A 24 3.379 3.725 9.794 1.00 0.00 C ATOM 250 C GLU A 24 4.891 3.506 9.758 1.00 0.00 C ATOM 251 O GLU A 24 5.664 4.387 10.135 1.00 0.00 O ATOM 252 CB GLU A 24 2.833 3.307 11.158 1.00 0.00 C ATOM 253 CG GLU A 24 1.374 3.678 11.369 1.00 0.00 C ATOM 254 CD GLU A 24 0.891 3.369 12.774 1.00 0.00 C ATOM 255 OE1 GLU A 24 1.518 2.521 13.444 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.113 3.976 13.203 1.00 0.00 O ATOM 0 H GLU A 24 2.281 2.108 9.043 1.00 0.00 H new ATOM 0 HA GLU A 24 3.187 4.785 9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.945 2.229 11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.434 3.773 11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.241 4.741 11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.758 3.138 10.650 1.00 0.00 H new ATOM 263 N GLU A 25 5.305 2.320 9.325 1.00 0.00 N ATOM 264 CA GLU A 25 6.725 1.977 9.265 1.00 0.00 C ATOM 265 C GLU A 25 7.460 2.763 8.178 1.00 0.00 C ATOM 266 O GLU A 25 8.157 3.735 8.469 1.00 0.00 O ATOM 267 CB GLU A 25 6.900 0.473 9.039 1.00 0.00 C ATOM 268 CG GLU A 25 7.739 -0.209 10.110 1.00 0.00 C ATOM 269 CD GLU A 25 6.907 -0.714 11.274 1.00 0.00 C ATOM 270 OE1 GLU A 25 5.674 -0.521 11.253 1.00 0.00 O ATOM 271 OE2 GLU A 25 7.492 -1.301 12.209 1.00 0.00 O ATOM 0 H GLU A 25 4.679 1.579 9.010 1.00 0.00 H new ATOM 0 HA GLU A 25 7.166 2.251 10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.917 0.002 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.365 0.312 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.279 -1.045 9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.487 0.492 10.481 1.00 0.00 H new ATOM 278 N LEU A 26 7.316 2.329 6.928 1.00 0.00 N ATOM 279 CA LEU A 26 7.984 2.991 5.810 1.00 0.00 C ATOM 280 C LEU A 26 7.529 4.440 5.683 1.00 0.00 C ATOM 281 O LEU A 26 8.349 5.359 5.691 1.00 0.00 O ATOM 282 CB LEU A 26 7.752 2.241 4.486 1.00 0.00 C ATOM 283 CG LEU A 26 6.578 1.247 4.456 1.00 0.00 C ATOM 284 CD1 LEU A 26 5.452 1.780 3.595 1.00 0.00 C ATOM 285 CD2 LEU A 26 7.041 -0.108 3.943 1.00 0.00 C ATOM 0 H LEU A 26 6.746 1.526 6.664 1.00 0.00 H new ATOM 0 HA LEU A 26 9.053 2.979 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.594 2.979 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.664 1.699 4.237 1.00 0.00 H new ATOM 0 HG LEU A 26 6.206 1.124 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.631 1.064 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.101 2.729 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.812 1.932 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.198 -0.799 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.438 0.001 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.819 -0.499 4.599 1.00 0.00 H new ATOM 291 N GLY A 27 6.221 4.642 5.573 1.00 0.00 N ATOM 292 CA GLY A 27 5.693 5.989 5.454 1.00 0.00 C ATOM 293 C GLY A 27 4.551 6.095 4.461 1.00 0.00 C ATOM 294 O GLY A 27 4.706 6.677 3.388 1.00 0.00 O ATOM 0 H GLY A 27 5.519 3.902 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.349 6.326 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.495 6.662 5.150 1.00 0.00 H new ATOM 298 N TYR A 28 3.402 5.539 4.824 1.00 0.00 N ATOM 299 CA TYR A 28 2.225 5.576 3.963 1.00 0.00 C ATOM 300 C TYR A 28 0.948 5.576 4.796 1.00 0.00 C ATOM 301 O TYR A 28 0.990 5.430 6.017 1.00 0.00 O ATOM 302 CB TYR A 28 2.208 4.371 3.015 1.00 0.00 C ATOM 303 CG TYR A 28 3.172 4.481 1.858 1.00 0.00 C ATOM 304 CD1 TYR A 28 4.533 4.306 2.051 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.717 4.749 0.573 1.00 0.00 C ATOM 306 CE1 TYR A 28 5.420 4.396 0.998 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.597 4.841 -0.488 1.00 0.00 C ATOM 308 CZ TYR A 28 4.948 4.663 -0.271 1.00 0.00 C ATOM 309 OH TYR A 28 5.827 4.753 -1.324 1.00 0.00 O ATOM 0 H TYR A 28 3.259 5.056 5.711 1.00 0.00 H new ATOM 0 HA TYR A 28 2.272 6.494 3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.442 3.471 3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.199 4.246 2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.906 4.096 3.043 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.660 4.887 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.478 4.258 1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.230 5.051 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 28 6.740 4.603 -1.001 1.00 0.00 H new ATOM 319 N ASP A 29 -0.185 5.715 4.120 1.00 0.00 N ATOM 320 CA ASP A 29 -1.481 5.698 4.786 1.00 0.00 C ATOM 321 C ASP A 29 -2.245 4.459 4.352 1.00 0.00 C ATOM 322 O ASP A 29 -2.709 4.375 3.216 1.00 0.00 O ATOM 323 CB ASP A 29 -2.289 6.955 4.452 1.00 0.00 C ATOM 324 CG ASP A 29 -1.664 8.213 5.023 1.00 0.00 C ATOM 325 OD1 ASP A 29 -0.426 8.350 4.944 1.00 0.00 O ATOM 326 OD2 ASP A 29 -2.415 9.062 5.550 1.00 0.00 O ATOM 0 H ASP A 29 -0.233 5.841 3.109 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.322 5.679 5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.372 7.053 3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.301 6.847 4.841 1.00 0.00 H new ATOM 331 N LEU A 30 -2.351 3.487 5.248 1.00 0.00 N ATOM 332 CA LEU A 30 -3.031 2.241 4.930 1.00 0.00 C ATOM 333 C LEU A 30 -4.520 2.329 5.216 1.00 0.00 C ATOM 334 O LEU A 30 -4.938 2.485 6.360 1.00 0.00 O ATOM 335 CB LEU A 30 -2.408 1.082 5.719 1.00 0.00 C ATOM 336 CG LEU A 30 -3.221 -0.226 5.777 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.936 -0.358 7.111 1.00 0.00 C ATOM 338 CD2 LEU A 30 -4.209 -0.335 4.619 1.00 0.00 C ATOM 0 H LEU A 30 -1.977 3.537 6.196 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.907 2.057 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.433 0.859 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.232 1.420 6.740 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.515 -1.051 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.503 -1.288 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.203 -0.364 7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.615 0.484 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.761 -1.272 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.907 0.502 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.666 -0.313 3.674 1.00 0.00 H new ATOM 344 N LEU A 31 -5.309 2.179 4.155 1.00 0.00 N ATOM 345 CA LEU A 31 -6.747 2.199 4.250 1.00 0.00 C ATOM 346 C LEU A 31 -7.353 1.278 3.207 1.00 0.00 C ATOM 347 O LEU A 31 -7.430 1.607 2.026 1.00 0.00 O ATOM 348 CB LEU A 31 -7.319 3.613 4.066 1.00 0.00 C ATOM 349 CG LEU A 31 -6.696 4.723 4.919 1.00 0.00 C ATOM 350 CD1 LEU A 31 -6.710 4.347 6.391 1.00 0.00 C ATOM 351 CD2 LEU A 31 -5.282 5.035 4.447 1.00 0.00 C ATOM 0 H LEU A 31 -4.958 2.040 3.207 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.006 1.855 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.212 3.889 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.387 3.579 4.280 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.298 5.624 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.263 5.151 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.738 4.190 6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.139 3.430 6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.858 5.826 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.665 4.140 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.309 5.363 3.408 1.00 0.00 H new ATOM 357 N GLY A 32 -7.779 0.122 3.660 1.00 0.00 N ATOM 358 CA GLY A 32 -8.387 -0.847 2.768 1.00 0.00 C ATOM 359 C GLY A 32 -9.519 -1.608 3.427 1.00 0.00 C ATOM 360 O GLY A 32 -9.287 -2.539 4.196 1.00 0.00 O ATOM 0 H GLY A 32 -7.718 -0.173 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.764 -0.335 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.628 -1.552 2.430 1.00 0.00 H new ATOM 364 N GLN A 33 -10.750 -1.209 3.127 1.00 0.00 N ATOM 365 CA GLN A 33 -11.923 -1.859 3.695 1.00 0.00 C ATOM 366 C GLN A 33 -13.111 -1.767 2.744 1.00 0.00 C ATOM 367 O GLN A 33 -13.798 -0.747 2.692 1.00 0.00 O ATOM 368 CB GLN A 33 -12.280 -1.230 5.042 1.00 0.00 C ATOM 369 CG GLN A 33 -12.241 0.290 5.033 1.00 0.00 C ATOM 370 CD GLN A 33 -13.115 0.902 6.109 1.00 0.00 C ATOM 371 OE1 GLN A 33 -12.622 1.364 7.138 1.00 0.00 O ATOM 372 NE2 GLN A 33 -14.424 0.907 5.878 1.00 0.00 N ATOM 0 H GLN A 33 -10.961 -0.438 2.493 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.685 -2.912 3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.278 -1.558 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.589 -1.598 5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.213 0.624 5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.565 0.652 4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.790 0.513 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -15.062 1.304 6.567 1.00 0.00 H new ATOM 379 N ILE A 34 -13.352 -2.839 1.996 1.00 0.00 N ATOM 380 CA ILE A 34 -14.462 -2.873 1.052 1.00 0.00 C ATOM 381 C ILE A 34 -15.726 -3.384 1.723 1.00 0.00 C ATOM 382 O ILE A 34 -16.840 -3.005 1.360 1.00 0.00 O ATOM 383 CB ILE A 34 -14.146 -3.762 -0.172 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.882 -3.273 -0.879 1.00 0.00 C ATOM 385 CG2 ILE A 34 -15.322 -3.775 -1.140 1.00 0.00 C ATOM 386 CD1 ILE A 34 -11.610 -3.544 -0.106 1.00 0.00 C ATOM 0 H ILE A 34 -12.795 -3.693 2.025 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.617 -1.850 0.710 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.974 -4.779 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.813 -3.754 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.967 -2.201 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.082 -4.406 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -16.204 -4.169 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.523 -2.760 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.755 -3.170 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.657 -3.041 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.500 -4.617 0.049 1.00 0.00 H new ATOM 390 N GLY A 35 -15.538 -4.251 2.700 1.00 0.00 N ATOM 391 CA GLY A 35 -16.661 -4.819 3.420 1.00 0.00 C ATOM 392 C GLY A 35 -17.287 -5.995 2.690 1.00 0.00 C ATOM 393 O GLY A 35 -18.180 -6.657 3.218 1.00 0.00 O ATOM 0 H GLY A 35 -14.623 -4.576 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.329 -5.143 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.416 -4.048 3.575 1.00 0.00 H new ATOM 397 N SER A 36 -16.815 -6.259 1.473 1.00 0.00 N ATOM 398 CA SER A 36 -17.331 -7.361 0.674 1.00 0.00 C ATOM 399 C SER A 36 -16.451 -8.596 0.834 1.00 0.00 C ATOM 400 O SER A 36 -16.946 -9.723 0.881 1.00 0.00 O ATOM 401 CB SER A 36 -17.399 -6.958 -0.800 1.00 0.00 C ATOM 402 OG SER A 36 -18.652 -6.374 -1.113 1.00 0.00 O ATOM 0 H SER A 36 -16.075 -5.722 1.021 1.00 0.00 H new ATOM 0 HA SER A 36 -18.335 -7.599 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.599 -6.252 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 36 -17.236 -7.834 -1.427 1.00 0.00 H new ATOM 0 HG SER A 36 -18.669 -6.124 -2.060 1.00 0.00 H new ATOM 408 N LEU A 37 -15.145 -8.373 0.917 1.00 0.00 N ATOM 409 CA LEU A 37 -14.189 -9.464 1.072 1.00 0.00 C ATOM 410 C LEU A 37 -13.519 -9.433 2.439 1.00 0.00 C ATOM 411 O LEU A 37 -12.894 -10.408 2.857 1.00 0.00 O ATOM 412 CB LEU A 37 -13.124 -9.401 -0.023 1.00 0.00 C ATOM 413 CG LEU A 37 -12.582 -8.002 -0.337 1.00 0.00 C ATOM 414 CD1 LEU A 37 -12.205 -7.254 0.935 1.00 0.00 C ATOM 415 CD2 LEU A 37 -11.380 -8.102 -1.253 1.00 0.00 C ATOM 0 H LEU A 37 -14.723 -7.445 0.880 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.744 -10.398 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.289 -10.038 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.542 -9.823 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.372 -7.442 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.824 -6.266 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.085 -7.149 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.436 -7.811 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.003 -7.102 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.599 -8.687 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.671 -8.589 -2.184 1.00 0.00 H new ATOM 421 N GLU A 38 -13.662 -8.309 3.131 1.00 0.00 N ATOM 422 CA GLU A 38 -13.083 -8.126 4.457 1.00 0.00 C ATOM 423 C GLU A 38 -11.713 -8.775 4.584 1.00 0.00 C ATOM 424 O GLU A 38 -11.582 -9.873 5.124 1.00 0.00 O ATOM 425 CB GLU A 38 -14.018 -8.692 5.501 1.00 0.00 C ATOM 426 CG GLU A 38 -14.506 -10.084 5.158 1.00 0.00 C ATOM 427 CD GLU A 38 -15.303 -10.721 6.280 1.00 0.00 C ATOM 428 OE1 GLU A 38 -16.400 -10.213 6.592 1.00 0.00 O ATOM 429 OE2 GLU A 38 -14.827 -11.728 6.847 1.00 0.00 O ATOM 0 H GLU A 38 -14.181 -7.500 2.790 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.950 -7.055 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.508 -8.718 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.875 -8.028 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.124 -10.037 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.650 -10.716 4.922 1.00 0.00 H new ATOM 436 N ASN A 39 -10.700 -8.076 4.093 1.00 0.00 N ATOM 437 CA ASN A 39 -9.320 -8.561 4.145 1.00 0.00 C ATOM 438 C ASN A 39 -8.388 -7.667 3.335 1.00 0.00 C ATOM 439 O ASN A 39 -7.201 -7.556 3.632 1.00 0.00 O ATOM 440 CB ASN A 39 -9.242 -10.016 3.661 1.00 0.00 C ATOM 441 CG ASN A 39 -9.157 -10.143 2.153 1.00 0.00 C ATOM 442 OD1 ASN A 39 -8.091 -10.408 1.599 1.00 0.00 O ATOM 443 ND2 ASN A 39 -10.286 -9.960 1.481 1.00 0.00 N ATOM 0 H ASN A 39 -10.805 -7.163 3.650 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.990 -8.526 5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.371 -10.494 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.120 -10.557 4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.292 -10.038 0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.148 -9.742 1.981 1.00 0.00 H new ATOM 448 N HIS A 40 -8.939 -7.035 2.317 1.00 0.00 N ATOM 449 CA HIS A 40 -8.177 -6.140 1.461 1.00 0.00 C ATOM 450 C HIS A 40 -7.656 -4.945 2.254 1.00 0.00 C ATOM 451 O HIS A 40 -8.295 -4.486 3.197 1.00 0.00 O ATOM 452 CB HIS A 40 -9.047 -5.661 0.296 1.00 0.00 C ATOM 453 CG HIS A 40 -8.350 -4.705 -0.623 1.00 0.00 C ATOM 454 ND1 HIS A 40 -7.884 -3.451 -0.410 1.00 0.00 N flip ATOM 455 CD2 HIS A 40 -8.063 -4.999 -1.939 1.00 0.00 C flip ATOM 456 CE1 HIS A 40 -7.330 -3.017 -1.589 1.00 0.00 C flip ATOM 457 NE2 HIS A 40 -7.450 -3.969 -2.495 1.00 0.00 N flip ATOM 0 H HIS A 40 -9.922 -7.125 2.059 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.322 -6.687 1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.379 -6.526 -0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.941 -5.181 0.695 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -7.935 -2.927 0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.302 -5.927 -2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.871 -2.053 -1.749 1.00 0.00 H new ATOM 466 N TYR A 41 -6.487 -4.451 1.859 1.00 0.00 N ATOM 467 CA TYR A 41 -5.862 -3.311 2.520 1.00 0.00 C ATOM 468 C TYR A 41 -5.011 -2.538 1.509 1.00 0.00 C ATOM 469 O TYR A 41 -4.221 -3.138 0.782 1.00 0.00 O ATOM 470 CB TYR A 41 -5.013 -3.798 3.698 1.00 0.00 C ATOM 471 CG TYR A 41 -5.797 -3.945 4.990 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.567 -5.077 5.232 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.768 -2.955 5.967 1.00 0.00 C ATOM 474 CE1 TYR A 41 -7.283 -5.218 6.406 1.00 0.00 C ATOM 475 CE2 TYR A 41 -6.482 -3.090 7.143 1.00 0.00 C ATOM 476 CZ TYR A 41 -7.237 -4.222 7.358 1.00 0.00 C ATOM 477 OH TYR A 41 -7.948 -4.360 8.528 1.00 0.00 O ATOM 0 H TYR A 41 -5.950 -4.826 1.078 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.630 -2.641 2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.567 -4.759 3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.192 -3.099 3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.606 -5.860 4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.177 -2.066 5.804 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.876 -6.104 6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.448 -2.311 7.890 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.807 -3.571 9.092 1.00 0.00 H new ATOM 487 N LEU A 42 -5.189 -1.215 1.433 1.00 0.00 N ATOM 488 CA LEU A 42 -4.434 -0.415 0.465 1.00 0.00 C ATOM 489 C LEU A 42 -3.769 0.799 1.111 1.00 0.00 C ATOM 490 O LEU A 42 -4.330 1.420 2.007 1.00 0.00 O ATOM 491 CB LEU A 42 -5.364 0.021 -0.677 1.00 0.00 C ATOM 492 CG LEU A 42 -5.324 1.508 -1.054 1.00 0.00 C ATOM 493 CD1 LEU A 42 -5.361 1.673 -2.564 1.00 0.00 C ATOM 494 CD2 LEU A 42 -6.480 2.243 -0.398 1.00 0.00 C ATOM 0 H LEU A 42 -5.835 -0.685 2.017 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.633 -1.038 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.116 -0.564 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.387 -0.235 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.392 1.941 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.332 2.733 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.500 1.172 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.278 1.232 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.443 3.297 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.423 1.813 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.405 2.146 0.685 1.00 0.00 H new ATOM 500 N PHE A 43 -2.576 1.147 0.623 1.00 0.00 N ATOM 501 CA PHE A 43 -1.844 2.304 1.133 1.00 0.00 C ATOM 502 C PHE A 43 -1.763 3.391 0.065 1.00 0.00 C ATOM 503 O PHE A 43 -1.855 3.108 -1.128 1.00 0.00 O ATOM 504 CB PHE A 43 -0.417 1.935 1.566 1.00 0.00 C ATOM 505 CG PHE A 43 -0.279 0.635 2.314 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.366 0.027 2.916 1.00 0.00 C ATOM 507 CD2 PHE A 43 0.957 0.022 2.408 1.00 0.00 C ATOM 508 CE1 PHE A 43 -1.222 -1.166 3.596 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.111 -1.169 3.085 1.00 0.00 C ATOM 510 CZ PHE A 43 0.018 -1.767 3.681 1.00 0.00 C ATOM 0 H PHE A 43 -2.098 0.643 -0.124 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.390 2.667 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.213 1.891 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.028 2.737 2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.339 0.491 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.816 0.484 1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.079 -1.629 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.084 -1.633 3.149 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.133 -2.701 4.211 1.00 0.00 H new ATOM 520 N LYS A 44 -1.575 4.632 0.499 1.00 0.00 N ATOM 521 CA LYS A 44 -1.465 5.756 -0.424 1.00 0.00 C ATOM 522 C LYS A 44 -0.585 6.855 0.162 1.00 0.00 C ATOM 523 O LYS A 44 -0.930 7.464 1.175 1.00 0.00 O ATOM 524 CB LYS A 44 -2.849 6.315 -0.758 1.00 0.00 C ATOM 525 CG LYS A 44 -3.656 5.422 -1.687 1.00 0.00 C ATOM 526 CD LYS A 44 -4.669 4.595 -0.917 1.00 0.00 C ATOM 527 CE LYS A 44 -5.687 5.474 -0.209 1.00 0.00 C ATOM 528 NZ LYS A 44 -7.035 5.377 -0.834 1.00 0.00 N ATOM 0 H LYS A 44 -1.496 4.885 1.484 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.002 5.394 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.406 6.461 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.734 7.296 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.171 6.035 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.984 4.760 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.184 3.920 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.152 3.974 -0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.751 5.183 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.350 6.510 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.439 6.330 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.952 4.931 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.657 4.802 -0.231 1.00 0.00 H new ATOM 542 N HIS A 45 0.555 7.104 -0.476 1.00 0.00 N ATOM 543 CA HIS A 45 1.480 8.129 -0.008 1.00 0.00 C ATOM 544 C HIS A 45 2.452 8.539 -1.109 1.00 0.00 C ATOM 545 O HIS A 45 3.006 7.692 -1.810 1.00 0.00 O ATOM 546 CB HIS A 45 2.256 7.627 1.206 1.00 0.00 C ATOM 547 CG HIS A 45 2.454 8.670 2.262 1.00 0.00 C ATOM 548 ND1 HIS A 45 3.694 9.165 2.607 1.00 0.00 N ATOM 549 CD2 HIS A 45 1.562 9.313 3.052 1.00 0.00 C ATOM 550 CE1 HIS A 45 3.556 10.066 3.563 1.00 0.00 C ATOM 551 NE2 HIS A 45 2.273 10.175 3.850 1.00 0.00 N ATOM 0 H HIS A 45 0.859 6.611 -1.316 1.00 0.00 H new ATOM 0 HA HIS A 45 0.894 9.003 0.275 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.727 6.778 1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 45 3.230 7.263 0.879 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.491 9.174 3.054 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.357 10.619 4.030 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.874 10.799 4.551 1.00 0.00 H new ATOM 560 N LYS A 46 2.653 9.844 -1.254 1.00 0.00 N ATOM 561 CA LYS A 46 3.558 10.371 -2.271 1.00 0.00 C ATOM 562 C LYS A 46 3.879 11.842 -2.010 1.00 0.00 C ATOM 563 O LYS A 46 5.014 12.280 -2.199 1.00 0.00 O ATOM 564 CB LYS A 46 2.959 10.211 -3.679 1.00 0.00 C ATOM 565 CG LYS A 46 1.502 9.769 -3.702 1.00 0.00 C ATOM 566 CD LYS A 46 0.603 10.759 -2.978 1.00 0.00 C ATOM 567 CE LYS A 46 -0.802 10.764 -3.557 1.00 0.00 C ATOM 568 NZ LYS A 46 -1.689 9.782 -2.875 1.00 0.00 N ATOM 0 H LYS A 46 2.202 10.557 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 46 4.482 9.796 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.045 11.161 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.554 9.484 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.170 9.664 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.412 8.788 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.560 10.505 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.030 11.759 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.229 11.763 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.756 10.533 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.638 9.817 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.296 8.825 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.754 10.016 -1.864 1.00 0.00 H new ATOM 582 N SER A 47 2.874 12.600 -1.579 1.00 0.00 N ATOM 583 CA SER A 47 3.053 14.022 -1.300 1.00 0.00 C ATOM 584 C SER A 47 3.354 14.793 -2.581 1.00 0.00 C ATOM 585 O SER A 47 4.027 15.823 -2.554 1.00 0.00 O ATOM 586 CB SER A 47 4.181 14.230 -0.286 1.00 0.00 C ATOM 587 OG SER A 47 4.096 15.511 0.316 1.00 0.00 O ATOM 0 H SER A 47 1.929 12.254 -1.416 1.00 0.00 H new ATOM 0 HA SER A 47 2.123 14.403 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.130 13.459 0.483 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.145 14.121 -0.782 1.00 0.00 H new ATOM 0 HG SER A 47 4.036 16.197 -0.381 1.00 0.00 H new ATOM 593 N HIS A 48 2.853 14.284 -3.703 1.00 0.00 N ATOM 594 CA HIS A 48 3.068 14.921 -4.996 1.00 0.00 C ATOM 595 C HIS A 48 2.299 14.188 -6.095 1.00 0.00 C ATOM 596 O HIS A 48 2.876 13.781 -7.104 1.00 0.00 O ATOM 597 CB HIS A 48 4.561 14.943 -5.329 1.00 0.00 C ATOM 598 CG HIS A 48 5.219 13.607 -5.175 1.00 0.00 C ATOM 599 ND1 HIS A 48 6.478 13.444 -4.640 1.00 0.00 N ATOM 600 CD2 HIS A 48 4.780 12.365 -5.482 1.00 0.00 C ATOM 601 CE1 HIS A 48 6.785 12.158 -4.625 1.00 0.00 C ATOM 602 NE2 HIS A 48 5.770 11.482 -5.131 1.00 0.00 N ATOM 0 H HIS A 48 2.295 13.431 -3.741 1.00 0.00 H new ATOM 0 HA HIS A 48 2.699 15.945 -4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.693 15.290 -6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.061 15.664 -4.682 1.00 0.00 H new ATOM 0 HD1 HIS A 48 7.079 14.198 -4.307 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.826 12.114 -5.922 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.709 11.733 -4.261 1.00 0.00 H new ATOM 611 N PRO A 49 0.980 14.007 -5.912 1.00 0.00 N ATOM 612 CA PRO A 49 0.135 13.317 -6.894 1.00 0.00 C ATOM 613 C PRO A 49 -0.046 14.125 -8.174 1.00 0.00 C ATOM 614 O PRO A 49 -1.049 14.816 -8.347 1.00 0.00 O ATOM 615 CB PRO A 49 -1.201 13.160 -6.165 1.00 0.00 C ATOM 616 CG PRO A 49 -1.220 14.264 -5.166 1.00 0.00 C ATOM 617 CD PRO A 49 0.208 14.457 -4.738 1.00 0.00 C ATOM 0 HA PRO A 49 0.573 12.372 -7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.040 13.237 -6.856 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.275 12.186 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.624 15.178 -5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.852 14.010 -4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.417 15.499 -4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.445 13.869 -3.852 1.00 0.00 H new ATOM 625 N ARG A 50 0.932 14.033 -9.070 1.00 0.00 N ATOM 626 CA ARG A 50 0.876 14.756 -10.336 1.00 0.00 C ATOM 627 C ARG A 50 0.760 13.795 -11.519 1.00 0.00 C ATOM 628 O ARG A 50 1.011 14.175 -12.662 1.00 0.00 O ATOM 629 CB ARG A 50 2.120 15.632 -10.500 1.00 0.00 C ATOM 630 CG ARG A 50 1.917 16.807 -11.444 1.00 0.00 C ATOM 631 CD ARG A 50 3.056 16.926 -12.443 1.00 0.00 C ATOM 632 NE ARG A 50 4.115 17.811 -11.965 1.00 0.00 N ATOM 633 CZ ARG A 50 4.044 19.139 -12.000 1.00 0.00 C ATOM 634 NH1 ARG A 50 2.967 19.741 -12.491 1.00 0.00 N ATOM 635 NH2 ARG A 50 5.053 19.869 -11.544 1.00 0.00 N ATOM 0 H ARG A 50 1.771 13.466 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.012 15.388 -10.321 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.420 16.010 -9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.941 15.017 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.975 16.686 -11.979 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.840 17.729 -10.867 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.471 15.937 -12.639 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.669 17.302 -13.390 1.00 0.00 H new ATOM 0 HE ARG A 50 4.959 17.386 -11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.188 19.185 -12.844 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.919 20.760 -12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.883 19.412 -11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.999 20.887 -11.571 1.00 0.00 H new ATOM 649 N ARG A 51 0.377 12.550 -11.239 1.00 0.00 N ATOM 650 CA ARG A 51 0.228 11.540 -12.284 1.00 0.00 C ATOM 651 C ARG A 51 1.454 11.508 -13.196 1.00 0.00 C ATOM 652 O ARG A 51 1.338 11.610 -14.417 1.00 0.00 O ATOM 653 CB ARG A 51 -1.033 11.812 -13.108 1.00 0.00 C ATOM 654 CG ARG A 51 -2.319 11.676 -12.309 1.00 0.00 C ATOM 655 CD ARG A 51 -3.545 11.805 -13.199 1.00 0.00 C ATOM 656 NE ARG A 51 -4.107 10.503 -13.549 1.00 0.00 N ATOM 657 CZ ARG A 51 -4.645 9.665 -12.665 1.00 0.00 C ATOM 658 NH1 ARG A 51 -4.694 9.989 -11.379 1.00 0.00 N ATOM 659 NH2 ARG A 51 -5.135 8.501 -13.068 1.00 0.00 N ATOM 0 H ARG A 51 0.165 12.218 -10.298 1.00 0.00 H new ATOM 0 HA ARG A 51 0.136 10.567 -11.802 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.977 12.818 -13.523 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.063 11.121 -13.951 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.335 10.710 -11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.349 12.441 -11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.302 12.401 -12.689 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.277 12.341 -14.110 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.086 10.219 -14.528 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.319 10.883 -11.064 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.107 9.344 -10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.100 8.247 -14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.547 7.859 -12.391 1.00 0.00 H new ATOM 673 N SER A 52 2.628 11.367 -12.588 1.00 0.00 N ATOM 674 CA SER A 52 3.884 11.323 -13.333 1.00 0.00 C ATOM 675 C SER A 52 5.076 11.370 -12.382 1.00 0.00 C ATOM 676 O SER A 52 6.114 10.759 -12.639 1.00 0.00 O ATOM 677 CB SER A 52 3.962 12.488 -14.326 1.00 0.00 C ATOM 678 OG SER A 52 3.917 12.021 -15.664 1.00 0.00 O ATOM 0 H SER A 52 2.737 11.281 -11.577 1.00 0.00 H new ATOM 0 HA SER A 52 3.915 10.385 -13.888 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.135 13.176 -14.150 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.883 13.048 -14.163 1.00 0.00 H new ATOM 0 HG SER A 52 3.024 11.666 -15.857 1.00 0.00 H new ATOM 684 N ARG A 53 4.918 12.100 -11.283 1.00 0.00 N ATOM 685 CA ARG A 53 5.977 12.233 -10.288 1.00 0.00 C ATOM 686 C ARG A 53 6.482 10.864 -9.837 1.00 0.00 C ATOM 687 O ARG A 53 5.765 10.114 -9.174 1.00 0.00 O ATOM 688 CB ARG A 53 5.469 13.027 -9.080 1.00 0.00 C ATOM 689 CG ARG A 53 6.298 14.263 -8.774 1.00 0.00 C ATOM 690 CD ARG A 53 6.336 15.216 -9.957 1.00 0.00 C ATOM 691 NE ARG A 53 7.566 15.077 -10.733 1.00 0.00 N ATOM 692 CZ ARG A 53 8.740 15.582 -10.357 1.00 0.00 C ATOM 693 NH1 ARG A 53 8.846 16.256 -9.219 1.00 0.00 N ATOM 694 NH2 ARG A 53 9.810 15.410 -11.121 1.00 0.00 N ATOM 0 H ARG A 53 4.064 12.610 -11.058 1.00 0.00 H new ATOM 0 HA ARG A 53 6.807 12.769 -10.747 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.437 13.327 -9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.463 12.377 -8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.882 14.775 -7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.313 13.966 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.477 15.028 -10.602 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.247 16.242 -9.599 1.00 0.00 H new ATOM 0 HE ARG A 53 7.523 14.564 -11.613 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.026 16.390 -8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.747 16.640 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.734 14.891 -11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.709 15.796 -10.834 1.00 0.00 H new ATOM 708 N ARG A 54 7.720 10.546 -10.201 1.00 0.00 N ATOM 709 CA ARG A 54 8.320 9.269 -9.832 1.00 0.00 C ATOM 710 C ARG A 54 8.475 9.162 -8.320 1.00 0.00 C ATOM 711 O ARG A 54 8.923 10.103 -7.663 1.00 0.00 O ATOM 712 CB ARG A 54 9.683 9.105 -10.506 1.00 0.00 C ATOM 713 CG ARG A 54 9.647 9.299 -12.013 1.00 0.00 C ATOM 714 CD ARG A 54 11.046 9.469 -12.582 1.00 0.00 C ATOM 715 NE ARG A 54 11.657 10.728 -12.160 1.00 0.00 N ATOM 716 CZ ARG A 54 12.909 10.844 -11.719 1.00 0.00 C ATOM 717 NH1 ARG A 54 13.704 9.781 -11.648 1.00 0.00 N ATOM 718 NH2 ARG A 54 13.372 12.031 -11.351 1.00 0.00 N ATOM 0 H ARG A 54 8.327 11.154 -10.751 1.00 0.00 H new ATOM 0 HA ARG A 54 7.657 8.473 -10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.381 9.821 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.070 8.110 -10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.164 8.441 -12.481 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.045 10.175 -12.255 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.672 8.636 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.002 9.434 -13.671 1.00 0.00 H new ATOM 0 HE ARG A 54 11.088 11.573 -12.206 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.357 8.865 -11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.661 9.881 -11.309 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.770 12.853 -11.406 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.330 12.122 -11.013 1.00 0.00 H new ATOM 732 N SER A 55 8.102 8.012 -7.770 1.00 0.00 N ATOM 733 CA SER A 55 8.200 7.784 -6.334 1.00 0.00 C ATOM 734 C SER A 55 7.903 6.327 -5.994 1.00 0.00 C ATOM 735 O SER A 55 7.983 5.451 -6.856 1.00 0.00 O ATOM 736 CB SER A 55 7.239 8.711 -5.587 1.00 0.00 C ATOM 737 OG SER A 55 5.925 8.179 -5.574 1.00 0.00 O ATOM 0 H SER A 55 7.729 7.223 -8.298 1.00 0.00 H new ATOM 0 HA SER A 55 9.220 8.005 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.587 8.853 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.233 9.692 -6.061 1.00 0.00 H new ATOM 0 HG SER A 55 5.686 7.920 -4.660 1.00 0.00 H new ATOM 743 N ALA A 56 7.564 6.068 -4.732 1.00 0.00 N ATOM 744 CA ALA A 56 7.262 4.713 -4.287 1.00 0.00 C ATOM 745 C ALA A 56 8.506 3.836 -4.361 1.00 0.00 C ATOM 746 O ALA A 56 8.977 3.503 -5.448 1.00 0.00 O ATOM 747 CB ALA A 56 6.136 4.119 -5.121 1.00 0.00 C ATOM 0 H ALA A 56 7.492 6.778 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 56 6.935 4.755 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.923 3.107 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.242 4.734 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.436 4.090 -6.169 1.00 0.00 H new ATOM 753 N LEU A 57 9.042 3.476 -3.200 1.00 0.00 N ATOM 754 CA LEU A 57 10.242 2.651 -3.142 1.00 0.00 C ATOM 755 C LEU A 57 10.291 1.820 -1.863 1.00 0.00 C ATOM 756 O LEU A 57 10.265 0.590 -1.910 1.00 0.00 O ATOM 757 CB LEU A 57 11.480 3.535 -3.223 1.00 0.00 C ATOM 758 CG LEU A 57 11.404 4.803 -2.377 1.00 0.00 C ATOM 759 CD1 LEU A 57 12.421 4.752 -1.249 1.00 0.00 C ATOM 760 CD2 LEU A 57 11.603 6.030 -3.244 1.00 0.00 C ATOM 0 H LEU A 57 8.666 3.742 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 57 10.218 1.966 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.348 2.955 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.644 3.816 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 57 10.412 4.867 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.353 5.664 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.217 3.890 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.424 4.665 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.546 6.926 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.581 5.982 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.826 6.066 -4.007 1.00 0.00 H new ATOM 766 N HIS A 58 10.365 2.499 -0.718 1.00 0.00 N ATOM 767 CA HIS A 58 10.420 1.818 0.569 1.00 0.00 C ATOM 768 C HIS A 58 9.114 1.091 0.856 1.00 0.00 C ATOM 769 O HIS A 58 9.048 0.252 1.751 1.00 0.00 O ATOM 770 CB HIS A 58 10.739 2.801 1.703 1.00 0.00 C ATOM 771 CG HIS A 58 10.081 4.142 1.568 1.00 0.00 C ATOM 772 ND1 HIS A 58 8.915 4.348 0.860 1.00 0.00 N ATOM 773 CD2 HIS A 58 10.434 5.353 2.062 1.00 0.00 C ATOM 774 CE1 HIS A 58 8.582 5.623 0.924 1.00 0.00 C ATOM 775 NE2 HIS A 58 9.486 6.255 1.648 1.00 0.00 N ATOM 0 H HIS A 58 10.388 3.517 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 58 11.223 1.082 0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 58 10.435 2.355 2.650 1.00 0.00 H new ATOM 0 HB3 HIS A 58 11.819 2.943 1.750 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.301 5.569 2.669 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.716 6.073 0.462 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.481 7.252 1.865 1.00 0.00 H new ATOM 784 N ILE A 59 8.077 1.402 0.082 1.00 0.00 N ATOM 785 CA ILE A 59 6.786 0.759 0.254 1.00 0.00 C ATOM 786 C ILE A 59 6.846 -0.701 -0.204 1.00 0.00 C ATOM 787 O ILE A 59 5.894 -1.456 -0.023 1.00 0.00 O ATOM 788 CB ILE A 59 5.672 1.530 -0.503 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.418 1.644 0.365 1.00 0.00 C ATOM 790 CG2 ILE A 59 5.335 0.889 -1.845 1.00 0.00 C ATOM 791 CD1 ILE A 59 3.624 0.361 0.472 1.00 0.00 C ATOM 0 H ILE A 59 8.110 2.094 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 59 6.540 0.775 1.316 1.00 0.00 H new ATOM 0 HB ILE A 59 6.055 2.529 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.709 1.963 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.775 2.424 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.551 1.465 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.224 0.876 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.989 -0.132 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.751 0.525 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.300 0.050 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.248 -0.418 0.910 1.00 0.00 H new ATOM 795 N THR A 60 7.975 -1.093 -0.799 1.00 0.00 N ATOM 796 CA THR A 60 8.145 -2.459 -1.276 1.00 0.00 C ATOM 797 C THR A 60 9.160 -3.223 -0.428 1.00 0.00 C ATOM 798 O THR A 60 9.834 -4.128 -0.921 1.00 0.00 O ATOM 799 CB THR A 60 8.590 -2.456 -2.740 1.00 0.00 C ATOM 800 OG1 THR A 60 9.941 -2.046 -2.853 1.00 0.00 O ATOM 801 CG2 THR A 60 7.759 -1.544 -3.615 1.00 0.00 C ATOM 0 H THR A 60 8.778 -0.485 -0.959 1.00 0.00 H new ATOM 0 HA THR A 60 7.182 -2.963 -1.191 1.00 0.00 H new ATOM 0 HB THR A 60 8.459 -3.482 -3.084 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.030 -1.123 -2.537 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.127 -1.589 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.718 -1.865 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.833 -0.521 -3.247 1.00 0.00 H new ATOM 806 N LYS A 61 9.265 -2.864 0.851 1.00 0.00 N ATOM 807 CA LYS A 61 10.200 -3.532 1.753 1.00 0.00 C ATOM 808 C LYS A 61 9.472 -4.095 2.974 1.00 0.00 C ATOM 809 O LYS A 61 9.548 -5.292 3.251 1.00 0.00 O ATOM 810 CB LYS A 61 11.349 -2.572 2.142 1.00 0.00 C ATOM 811 CG LYS A 61 11.341 -2.053 3.582 1.00 0.00 C ATOM 812 CD LYS A 61 10.671 -0.689 3.682 1.00 0.00 C ATOM 813 CE LYS A 61 10.983 0.004 5.002 1.00 0.00 C ATOM 814 NZ LYS A 61 11.080 -0.957 6.136 1.00 0.00 N ATOM 0 H LYS A 61 8.718 -2.119 1.283 1.00 0.00 H new ATOM 0 HA LYS A 61 10.647 -4.381 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.296 -3.083 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.321 -1.715 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.819 -2.764 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.365 -1.984 3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.003 -0.061 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.592 -0.807 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.922 0.550 4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.207 0.739 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.678 -0.525 6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.552 -1.822 5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.078 -1.195 6.305 1.00 0.00 H new ATOM 828 N ARG A 62 8.760 -3.236 3.692 1.00 0.00 N ATOM 829 CA ARG A 62 8.013 -3.663 4.869 1.00 0.00 C ATOM 830 C ARG A 62 6.675 -4.269 4.461 1.00 0.00 C ATOM 831 O ARG A 62 6.128 -5.123 5.159 1.00 0.00 O ATOM 832 CB ARG A 62 7.790 -2.486 5.821 1.00 0.00 C ATOM 833 CG ARG A 62 7.758 -2.886 7.287 1.00 0.00 C ATOM 834 CD ARG A 62 6.548 -3.750 7.605 1.00 0.00 C ATOM 835 NE ARG A 62 6.903 -5.160 7.746 1.00 0.00 N ATOM 836 CZ ARG A 62 7.518 -5.666 8.813 1.00 0.00 C ATOM 837 NH1 ARG A 62 7.842 -4.883 9.834 1.00 0.00 N ATOM 838 NH2 ARG A 62 7.807 -6.960 8.860 1.00 0.00 N ATOM 0 H ARG A 62 8.684 -2.241 3.481 1.00 0.00 H new ATOM 0 HA ARG A 62 8.598 -4.423 5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.582 -1.753 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.850 -1.997 5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.669 -3.429 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.740 -1.991 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.084 -3.399 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.806 -3.640 6.814 1.00 0.00 H new ATOM 0 HE ARG A 62 6.666 -5.794 6.983 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.620 -3.888 9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.313 -5.276 10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.558 -7.567 8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.278 -7.348 9.677 1.00 0.00 H new ATOM 852 N LEU A 63 6.153 -3.814 3.327 1.00 0.00 N ATOM 853 CA LEU A 63 4.878 -4.300 2.820 1.00 0.00 C ATOM 854 C LEU A 63 5.005 -5.724 2.298 1.00 0.00 C ATOM 855 O LEU A 63 4.251 -6.603 2.702 1.00 0.00 O ATOM 856 CB LEU A 63 4.366 -3.375 1.715 1.00 0.00 C ATOM 857 CG LEU A 63 3.077 -3.803 0.982 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.265 -4.840 1.760 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.227 -2.578 0.690 1.00 0.00 C ATOM 0 H LEU A 63 6.596 -3.107 2.741 1.00 0.00 H new ATOM 0 HA LEU A 63 4.162 -4.304 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.197 -2.390 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.157 -3.264 0.973 1.00 0.00 H new ATOM 0 HG LEU A 63 3.378 -4.281 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.371 -5.101 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.870 -5.733 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.975 -4.425 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.317 -2.882 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.965 -2.086 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.789 -1.887 0.061 1.00 0.00 H new ATOM 865 N SER A 64 5.961 -5.951 1.402 1.00 0.00 N ATOM 866 CA SER A 64 6.167 -7.282 0.844 1.00 0.00 C ATOM 867 C SER A 64 6.426 -8.287 1.963 1.00 0.00 C ATOM 868 O SER A 64 5.837 -9.372 1.993 1.00 0.00 O ATOM 869 CB SER A 64 7.332 -7.276 -0.147 1.00 0.00 C ATOM 870 OG SER A 64 8.164 -6.145 0.048 1.00 0.00 O ATOM 0 H SER A 64 6.599 -5.238 1.050 1.00 0.00 H new ATOM 0 HA SER A 64 5.264 -7.577 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.918 -8.187 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.946 -7.276 -1.166 1.00 0.00 H new ATOM 0 HG SER A 64 8.516 -5.845 -0.816 1.00 0.00 H new ATOM 876 N ASP A 65 7.294 -7.910 2.896 1.00 0.00 N ATOM 877 CA ASP A 65 7.612 -8.769 4.028 1.00 0.00 C ATOM 878 C ASP A 65 6.338 -9.130 4.783 1.00 0.00 C ATOM 879 O ASP A 65 6.125 -10.287 5.147 1.00 0.00 O ATOM 880 CB ASP A 65 8.605 -8.074 4.964 1.00 0.00 C ATOM 881 CG ASP A 65 9.907 -8.839 5.096 1.00 0.00 C ATOM 882 OD1 ASP A 65 9.900 -10.068 4.868 1.00 0.00 O ATOM 883 OD2 ASP A 65 10.934 -8.211 5.428 1.00 0.00 O ATOM 0 H ASP A 65 7.788 -7.018 2.890 1.00 0.00 H new ATOM 0 HA ASP A 65 8.072 -9.684 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.812 -7.071 4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.153 -7.959 5.949 1.00 0.00 H new ATOM 888 N ASP A 66 5.486 -8.132 4.995 1.00 0.00 N ATOM 889 CA ASP A 66 4.221 -8.342 5.688 1.00 0.00 C ATOM 890 C ASP A 66 3.170 -8.901 4.731 1.00 0.00 C ATOM 891 O ASP A 66 2.165 -9.466 5.158 1.00 0.00 O ATOM 892 CB ASP A 66 3.725 -7.030 6.300 1.00 0.00 C ATOM 893 CG ASP A 66 4.419 -6.702 7.608 1.00 0.00 C ATOM 894 OD1 ASP A 66 5.043 -7.611 8.194 1.00 0.00 O ATOM 895 OD2 ASP A 66 4.338 -5.535 8.045 1.00 0.00 O ATOM 0 H ASP A 66 5.649 -7.170 4.697 1.00 0.00 H new ATOM 0 HA ASP A 66 4.385 -9.065 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.888 -6.218 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.650 -7.095 6.469 1.00 0.00 H new ATOM 900 N ASP A 67 3.412 -8.726 3.432 1.00 0.00 N ATOM 901 CA ASP A 67 2.498 -9.193 2.398 1.00 0.00 C ATOM 902 C ASP A 67 2.374 -10.717 2.398 1.00 0.00 C ATOM 903 O ASP A 67 1.492 -11.271 1.741 1.00 0.00 O ATOM 904 CB ASP A 67 2.973 -8.699 1.025 1.00 0.00 C ATOM 905 CG ASP A 67 2.453 -9.544 -0.124 1.00 0.00 C ATOM 906 OD1 ASP A 67 1.235 -9.812 -0.155 1.00 0.00 O ATOM 907 OD2 ASP A 67 3.263 -9.936 -0.988 1.00 0.00 O ATOM 0 H ASP A 67 4.244 -8.259 3.071 1.00 0.00 H new ATOM 0 HA ASP A 67 1.510 -8.784 2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.650 -7.667 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.063 -8.698 1.003 1.00 0.00 H new ATOM 912 N ARG A 68 3.250 -11.395 3.133 1.00 0.00 N ATOM 913 CA ARG A 68 3.215 -12.854 3.205 1.00 0.00 C ATOM 914 C ARG A 68 1.789 -13.352 3.413 1.00 0.00 C ATOM 915 O ARG A 68 1.453 -14.474 3.037 1.00 0.00 O ATOM 916 CB ARG A 68 4.124 -13.358 4.328 1.00 0.00 C ATOM 917 CG ARG A 68 5.493 -13.810 3.844 1.00 0.00 C ATOM 918 CD ARG A 68 6.227 -12.691 3.122 1.00 0.00 C ATOM 919 NE ARG A 68 6.941 -13.176 1.944 1.00 0.00 N ATOM 920 CZ ARG A 68 7.627 -12.389 1.117 1.00 0.00 C ATOM 921 NH1 ARG A 68 7.694 -11.082 1.336 1.00 0.00 N ATOM 922 NH2 ARG A 68 8.248 -12.911 0.068 1.00 0.00 N ATOM 0 H ARG A 68 3.990 -10.961 3.685 1.00 0.00 H new ATOM 0 HA ARG A 68 3.581 -13.249 2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.252 -12.565 5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.634 -14.189 4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.087 -14.147 4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.380 -14.663 3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.513 -11.923 2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.933 -12.220 3.806 1.00 0.00 H new ATOM 0 HE ARG A 68 6.913 -14.176 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.219 -10.675 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.221 -10.485 0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.200 -13.915 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.773 -12.308 -0.565 1.00 0.00 H new ATOM 936 N VAL A 69 0.954 -12.497 3.998 1.00 0.00 N ATOM 937 CA VAL A 69 -0.448 -12.824 4.241 1.00 0.00 C ATOM 938 C VAL A 69 -1.058 -13.561 3.056 1.00 0.00 C ATOM 939 O VAL A 69 -1.558 -14.678 3.188 1.00 0.00 O ATOM 940 CB VAL A 69 -1.296 -11.560 4.484 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.645 -11.415 5.959 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.597 -10.308 3.964 1.00 0.00 C ATOM 0 H VAL A 69 1.227 -11.566 4.314 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.459 -13.456 5.129 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.224 -11.674 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.244 -10.516 6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.213 -12.286 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.728 -11.339 6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.224 -9.436 4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.358 -10.185 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.425 -10.406 2.892 1.00 0.00 H new ATOM 946 N THR A 70 -1.014 -12.914 1.897 1.00 0.00 N ATOM 947 CA THR A 70 -1.559 -13.485 0.681 1.00 0.00 C ATOM 948 C THR A 70 -0.884 -12.877 -0.543 1.00 0.00 C ATOM 949 O THR A 70 0.006 -13.488 -1.135 1.00 0.00 O ATOM 950 CB THR A 70 -3.066 -13.271 0.622 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.681 -13.694 1.826 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.732 -14.010 -0.519 1.00 0.00 C ATOM 0 H THR A 70 -0.603 -11.988 1.779 1.00 0.00 H new ATOM 0 HA THR A 70 -1.363 -14.557 0.684 1.00 0.00 H new ATOM 0 HB THR A 70 -3.199 -12.200 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.525 -14.149 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.804 -13.814 -0.503 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.315 -13.668 -1.466 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.557 -15.080 -0.411 1.00 0.00 H new ATOM 957 N TRP A 71 -1.291 -11.662 -0.910 1.00 0.00 N ATOM 958 CA TRP A 71 -0.689 -10.983 -2.056 1.00 0.00 C ATOM 959 C TRP A 71 -0.732 -9.474 -1.895 1.00 0.00 C ATOM 960 O TRP A 71 -1.690 -8.915 -1.364 1.00 0.00 O ATOM 961 CB TRP A 71 -1.370 -11.382 -3.364 1.00 0.00 C ATOM 962 CG TRP A 71 -2.772 -10.884 -3.471 1.00 0.00 C ATOM 963 CD1 TRP A 71 -3.878 -11.494 -2.979 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.220 -9.676 -4.098 1.00 0.00 C ATOM 965 NE1 TRP A 71 -4.996 -10.753 -3.266 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.619 -9.628 -3.951 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.576 -8.631 -4.770 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.385 -8.576 -4.451 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -3.339 -7.588 -5.264 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.729 -7.568 -5.102 1.00 0.00 C ATOM 0 H TRP A 71 -2.025 -11.134 -0.438 1.00 0.00 H new ATOM 0 HA TRP A 71 0.354 -11.299 -2.096 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.789 -10.996 -4.201 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.369 -12.469 -3.450 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.879 -12.429 -2.439 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.952 -10.999 -3.011 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.504 -8.639 -4.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.458 -8.558 -4.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.854 -6.775 -5.784 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.296 -6.739 -5.500 1.00 0.00 H new ATOM 981 N ALA A 72 0.328 -8.832 -2.361 1.00 0.00 N ATOM 982 CA ALA A 72 0.458 -7.387 -2.284 1.00 0.00 C ATOM 983 C ALA A 72 0.978 -6.816 -3.602 1.00 0.00 C ATOM 984 O ALA A 72 2.030 -7.226 -4.092 1.00 0.00 O ATOM 985 CB ALA A 72 1.389 -7.028 -1.138 1.00 0.00 C ATOM 0 H ALA A 72 1.121 -9.298 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.524 -6.950 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.489 -5.944 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.978 -7.408 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.368 -7.474 -1.312 1.00 0.00 H new ATOM 991 N GLU A 73 0.235 -5.871 -4.177 1.00 0.00 N ATOM 992 CA GLU A 73 0.632 -5.255 -5.441 1.00 0.00 C ATOM 993 C GLU A 73 0.281 -3.768 -5.468 1.00 0.00 C ATOM 994 O GLU A 73 -0.703 -3.342 -4.863 1.00 0.00 O ATOM 995 CB GLU A 73 -0.045 -5.970 -6.612 1.00 0.00 C ATOM 996 CG GLU A 73 0.670 -5.775 -7.939 1.00 0.00 C ATOM 997 CD GLU A 73 0.761 -7.055 -8.746 1.00 0.00 C ATOM 998 OE1 GLU A 73 -0.237 -7.805 -8.784 1.00 0.00 O ATOM 999 OE2 GLU A 73 1.830 -7.307 -9.340 1.00 0.00 O ATOM 0 H GLU A 73 -0.640 -5.517 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 73 1.714 -5.351 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.101 -7.036 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.069 -5.609 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.145 -5.019 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.674 -5.394 -7.754 1.00 0.00 H new ATOM 1006 N GLN A 74 1.093 -2.983 -6.174 1.00 0.00 N ATOM 1007 CA GLN A 74 0.868 -1.544 -6.279 1.00 0.00 C ATOM 1008 C GLN A 74 -0.024 -1.217 -7.473 1.00 0.00 C ATOM 1009 O GLN A 74 -0.278 -2.072 -8.320 1.00 0.00 O ATOM 1010 CB GLN A 74 2.199 -0.805 -6.409 1.00 0.00 C ATOM 1011 CG GLN A 74 2.968 -0.697 -5.101 1.00 0.00 C ATOM 1012 CD GLN A 74 3.655 0.645 -4.940 1.00 0.00 C ATOM 1013 OE1 GLN A 74 4.860 0.762 -5.486 1.00 0.00 O flip ATOM 1014 NE2 GLN A 74 3.110 1.565 -4.331 1.00 0.00 N flip ATOM 0 H GLN A 74 1.912 -3.320 -6.681 1.00 0.00 H new ATOM 0 HA GLN A 74 0.365 -1.216 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.819 -1.318 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.012 0.197 -6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.284 -0.854 -4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.713 -1.491 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.183 1.431 -3.927 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.585 2.462 -4.230 1.00 0.00 H new ATOM 1021 N GLN A 75 -0.502 0.026 -7.536 1.00 0.00 N ATOM 1022 CA GLN A 75 -1.368 0.448 -8.635 1.00 0.00 C ATOM 1023 C GLN A 75 -1.231 1.942 -8.913 1.00 0.00 C ATOM 1024 O GLN A 75 -1.768 2.769 -8.178 1.00 0.00 O ATOM 1025 CB GLN A 75 -2.826 0.108 -8.321 1.00 0.00 C ATOM 1026 CG GLN A 75 -3.619 -0.350 -9.535 1.00 0.00 C ATOM 1027 CD GLN A 75 -4.859 -1.135 -9.158 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -5.390 -0.990 -8.057 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -5.329 -1.974 -10.074 1.00 0.00 N ATOM 0 H GLN A 75 -0.306 0.751 -6.846 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.056 -0.092 -9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.853 -0.675 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.310 0.985 -7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.909 0.520 -10.124 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.982 -0.966 -10.169 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.857 -2.063 -10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.162 -2.529 -9.877 1.00 0.00 H new ATOM 1036 N TYR A 76 -0.518 2.281 -9.981 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.321 3.677 -10.352 1.00 0.00 C ATOM 1038 C TYR A 76 -1.521 4.209 -11.130 1.00 0.00 C ATOM 1039 O TYR A 76 -2.054 5.267 -10.804 1.00 99.99 O ATOM 1040 CB TYR A 76 0.949 3.828 -11.188 1.00 0.00 C ATOM 1041 CG TYR A 76 2.213 3.865 -10.361 1.00 0.00 C ATOM 1042 CD1 TYR A 76 2.523 2.836 -9.481 1.00 0.00 C ATOM 1043 CD2 TYR A 76 3.095 4.933 -10.459 1.00 0.00 C ATOM 1044 CE1 TYR A 76 3.677 2.870 -8.723 1.00 0.00 C ATOM 1045 CE2 TYR A 76 4.251 4.973 -9.706 1.00 0.00 C ATOM 1046 CZ TYR A 76 4.539 3.940 -8.839 1.00 0.00 C ATOM 1047 OH TYR A 76 5.690 3.979 -8.086 1.00 0.00 O ATOM 0 H TYR A 76 -0.068 1.610 -10.604 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.218 4.259 -9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.010 3.000 -11.894 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.881 4.744 -11.775 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.851 1.996 -9.388 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.873 5.745 -11.135 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.903 2.062 -8.043 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.927 5.810 -9.795 1.00 0.00 H new ATOM 0 HH TYR A 76 5.988 4.908 -7.992 1.00 0.00 H new TER 1057 TYR A 76