USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 455 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= -0.268 K(o=-0.27,f=-1.5!) USER MOD Set 1.2: A 75 GLN : amide:sc= 0 K(o=-0.27,f=-1.4) USER MOD Set 2.1: A 60 THR OG1 : rot 130:sc= 1.12 USER MOD Set 2.2: A 74 GLN : amide:sc= 0.0161 X(o=1.1,f=1) USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= -0.534 USER MOD Set 3.2: A 58 HIS : no HD1:sc= -1.92 K(o=-2.5,f=-3.2!) USER MOD Set 4.1: A 16 GLN :FLIP amide:sc= 1 F(o=-2.4,f=1.1) USER MOD Set 4.2: A 41 TYR OH : rot -39:sc= 0.0841 USER MOD Single : A 20 SER OG : rot 180:sc= -0.085 USER MOD Single : A 33 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -8.86! C(o=-8.9!,f=-9.3!) USER MOD Single : A 40 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-4.4) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.313 (180deg=-0.568) USER MOD Single : A 45 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.6!) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= -0.0747 (180deg=-0.482) USER MOD Single : A 47 SER OG : rot -43:sc= 1.13 USER MOD Single : A 48 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-3.9!) USER MOD Single : A 52 SER OG : rot 50:sc= 1.17 USER MOD Single : A 55 SER OG : rot 180:sc= -1.02 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc=-0.000525 USER MOD Single : A 70 THR OG1 : rot -179:sc= -0.691 USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 5 0.812 7.806 -10.820 1.00 0.00 N ATOM 22 CA VAL A 5 0.869 7.947 -9.370 1.00 0.00 C ATOM 23 C VAL A 5 -0.519 7.799 -8.766 1.00 0.00 C ATOM 24 O VAL A 5 -1.359 8.690 -8.901 1.00 0.00 O ATOM 25 CB VAL A 5 1.441 9.299 -8.902 1.00 0.00 C ATOM 26 CG1 VAL A 5 2.930 9.401 -9.187 1.00 0.00 C ATOM 27 CG2 VAL A 5 0.683 10.456 -9.528 1.00 0.00 C ATOM 0 HA VAL A 5 1.540 7.157 -9.031 1.00 0.00 H new ATOM 0 HB VAL A 5 1.310 9.357 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.301 10.367 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.456 8.603 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.103 9.306 -10.259 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.107 11.399 -9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.764 10.399 -10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.367 10.402 -9.239 1.00 0.00 H new ATOM 31 N ASN A 6 -0.762 6.680 -8.102 1.00 0.00 N ATOM 32 CA ASN A 6 -2.063 6.440 -7.484 1.00 0.00 C ATOM 33 C ASN A 6 -1.915 5.770 -6.111 1.00 0.00 C ATOM 34 O ASN A 6 -1.013 6.112 -5.347 1.00 0.00 O ATOM 35 CB ASN A 6 -2.953 5.616 -8.423 1.00 0.00 C ATOM 36 CG ASN A 6 -4.389 6.098 -8.425 1.00 0.00 C ATOM 37 OD1 ASN A 6 -4.659 7.286 -8.245 1.00 0.00 O ATOM 38 ND2 ASN A 6 -5.323 5.175 -8.627 1.00 0.00 N ATOM 0 H ASN A 6 -0.085 5.928 -7.976 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.547 7.402 -7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.554 5.667 -9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.924 4.569 -8.121 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.308 5.440 -8.637 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.055 4.202 -8.772 1.00 0.00 H new ATOM 43 N GLU A 7 -2.814 4.839 -5.787 1.00 0.00 N ATOM 44 CA GLU A 7 -2.786 4.162 -4.496 1.00 0.00 C ATOM 45 C GLU A 7 -2.499 2.668 -4.640 1.00 0.00 C ATOM 46 O GLU A 7 -2.778 2.068 -5.677 1.00 0.00 O ATOM 47 CB GLU A 7 -4.129 4.363 -3.790 1.00 0.00 C ATOM 48 CG GLU A 7 -4.611 5.806 -3.805 1.00 0.00 C ATOM 49 CD GLU A 7 -6.101 5.927 -3.548 1.00 0.00 C ATOM 50 OE1 GLU A 7 -6.560 5.458 -2.485 1.00 0.00 O ATOM 51 OE2 GLU A 7 -6.808 6.490 -4.408 1.00 0.00 O ATOM 0 H GLU A 7 -3.569 4.539 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.979 4.597 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.879 3.732 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.041 4.028 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.069 6.374 -3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.375 6.254 -4.770 1.00 0.00 H new ATOM 58 N TRP A 8 -1.953 2.071 -3.582 1.00 0.00 N ATOM 59 CA TRP A 8 -1.641 0.644 -3.575 1.00 0.00 C ATOM 60 C TRP A 8 -2.841 -0.150 -3.062 1.00 0.00 C ATOM 61 O TRP A 8 -3.366 0.142 -1.992 1.00 0.00 O ATOM 62 CB TRP A 8 -0.412 0.367 -2.697 1.00 0.00 C ATOM 63 CG TRP A 8 -0.233 -1.086 -2.355 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.452 -2.022 -3.072 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.754 -1.766 -1.207 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.379 -3.242 -2.449 1.00 0.00 N ATOM 67 CE2 TRP A 8 -0.356 -3.113 -1.303 1.00 0.00 C ATOM 68 CE3 TRP A 8 -1.520 -1.369 -0.111 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.701 -4.062 -0.343 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.859 -2.308 0.842 1.00 0.00 C ATOM 71 CH2 TRP A 8 -1.452 -3.641 0.721 1.00 0.00 C ATOM 0 H TRP A 8 -1.717 2.556 -2.716 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.416 0.331 -4.595 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.480 0.723 -3.212 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.498 0.941 -1.774 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.976 -1.831 -3.997 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.804 -4.106 -2.786 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.843 -0.343 -0.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.388 -5.091 -0.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.449 -2.009 1.696 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.736 -4.352 1.483 1.00 0.00 H new ATOM 82 N ALA A 9 -3.268 -1.150 -3.830 1.00 0.00 N ATOM 83 CA ALA A 9 -4.410 -1.982 -3.443 1.00 0.00 C ATOM 84 C ALA A 9 -4.016 -3.455 -3.371 1.00 0.00 C ATOM 85 O ALA A 9 -3.287 -3.952 -4.233 1.00 0.00 O ATOM 86 CB ALA A 9 -5.555 -1.798 -4.426 1.00 0.00 C ATOM 0 H ALA A 9 -2.843 -1.405 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.736 -1.665 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.396 -2.422 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.863 -0.753 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.227 -2.087 -5.425 1.00 0.00 H new ATOM 92 N ALA A 10 -4.486 -4.152 -2.339 1.00 0.00 N ATOM 93 CA ALA A 10 -4.158 -5.565 -2.179 1.00 0.00 C ATOM 94 C ALA A 10 -5.229 -6.345 -1.421 1.00 0.00 C ATOM 95 O ALA A 10 -6.229 -5.788 -0.969 1.00 0.00 O ATOM 96 CB ALA A 10 -2.826 -5.699 -1.468 1.00 0.00 C ATOM 0 H ALA A 10 -5.087 -3.767 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.102 -5.996 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.582 -6.755 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.049 -5.211 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.888 -5.228 -0.487 1.00 0.00 H new ATOM 102 N GLU A 11 -4.978 -7.646 -1.271 1.00 0.00 N ATOM 103 CA GLU A 11 -5.872 -8.549 -0.549 1.00 0.00 C ATOM 104 C GLU A 11 -5.056 -9.357 0.454 1.00 0.00 C ATOM 105 O GLU A 11 -4.233 -10.194 0.070 1.00 0.00 O ATOM 106 CB GLU A 11 -6.595 -9.487 -1.511 1.00 0.00 C ATOM 107 CG GLU A 11 -7.541 -8.766 -2.462 1.00 0.00 C ATOM 108 CD GLU A 11 -8.971 -9.257 -2.349 1.00 0.00 C ATOM 109 OE1 GLU A 11 -9.207 -10.460 -2.590 1.00 0.00 O ATOM 110 OE2 GLU A 11 -9.855 -8.439 -2.018 1.00 0.00 O ATOM 0 H GLU A 11 -4.148 -8.103 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.625 -7.959 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.857 -10.038 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.159 -10.221 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.511 -7.696 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.194 -8.903 -3.486 1.00 0.00 H new ATOM 117 N ILE A 12 -5.266 -9.083 1.736 1.00 0.00 N ATOM 118 CA ILE A 12 -4.530 -9.766 2.792 1.00 0.00 C ATOM 119 C ILE A 12 -5.484 -10.379 3.831 1.00 0.00 C ATOM 120 O ILE A 12 -6.324 -9.688 4.399 1.00 0.00 O ATOM 121 CB ILE A 12 -3.514 -8.805 3.469 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.393 -9.085 4.972 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.883 -7.346 3.218 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.421 -8.355 5.818 1.00 0.00 C ATOM 0 H ILE A 12 -5.939 -8.393 2.069 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.971 -10.582 2.334 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.540 -8.990 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.493 -10.157 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.395 -8.801 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.154 -6.698 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.885 -7.150 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.874 -7.146 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.271 -8.604 6.868 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.308 -7.280 5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.423 -8.657 5.513 1.00 0.00 H new ATOM 128 N PRO A 13 -5.385 -11.704 4.063 1.00 0.00 N ATOM 129 CA PRO A 13 -6.257 -12.426 5.005 1.00 0.00 C ATOM 130 C PRO A 13 -6.021 -12.117 6.490 1.00 0.00 C ATOM 131 O PRO A 13 -6.982 -11.903 7.231 1.00 0.00 O ATOM 132 CB PRO A 13 -5.941 -13.906 4.734 1.00 0.00 C ATOM 133 CG PRO A 13 -5.172 -13.926 3.457 1.00 0.00 C ATOM 134 CD PRO A 13 -4.449 -12.617 3.396 1.00 0.00 C ATOM 0 HA PRO A 13 -7.293 -12.131 4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.359 -14.338 5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.856 -14.493 4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.472 -14.761 3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.837 -14.046 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.489 -12.660 3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.248 -12.312 2.369 1.00 0.00 H new ATOM 142 N GLY A 14 -4.766 -12.149 6.944 1.00 0.00 N ATOM 143 CA GLY A 14 -4.501 -11.927 8.363 1.00 0.00 C ATOM 144 C GLY A 14 -3.523 -10.809 8.681 1.00 0.00 C ATOM 145 O GLY A 14 -3.355 -10.452 9.847 1.00 0.00 O ATOM 0 H GLY A 14 -3.942 -12.321 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.446 -11.711 8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.118 -12.853 8.792 1.00 0.00 H new ATOM 149 N GLY A 15 -2.875 -10.253 7.670 1.00 0.00 N ATOM 150 CA GLY A 15 -1.924 -9.179 7.903 1.00 0.00 C ATOM 151 C GLY A 15 -2.599 -7.854 8.212 1.00 0.00 C ATOM 152 O GLY A 15 -2.130 -6.799 7.789 1.00 0.00 O ATOM 0 H GLY A 15 -2.988 -10.523 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.271 -9.451 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.291 -9.063 7.023 1.00 0.00 H new ATOM 156 N GLN A 16 -3.708 -7.914 8.943 1.00 0.00 N ATOM 157 CA GLN A 16 -4.461 -6.718 9.305 1.00 0.00 C ATOM 158 C GLN A 16 -3.666 -5.824 10.249 1.00 0.00 C ATOM 159 O GLN A 16 -3.234 -4.736 9.868 1.00 0.00 O ATOM 160 CB GLN A 16 -5.785 -7.115 9.955 1.00 0.00 C ATOM 161 CG GLN A 16 -6.859 -7.473 8.948 1.00 0.00 C ATOM 162 CD GLN A 16 -8.261 -7.292 9.496 1.00 0.00 C ATOM 163 OE1 GLN A 16 -9.055 -6.463 8.828 1.00 0.00 O flip ATOM 164 NE2 GLN A 16 -8.626 -7.891 10.507 1.00 0.00 N flip ATOM 0 H GLN A 16 -4.107 -8.783 9.298 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.657 -6.154 8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.618 -7.965 10.616 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.138 -6.293 10.577 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.738 -6.854 8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.727 -8.509 8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.982 -8.519 10.988 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.573 -7.760 10.864 1.00 0.00 H new ATOM 171 N GLU A 17 -3.471 -6.287 11.481 1.00 0.00 N ATOM 172 CA GLU A 17 -2.722 -5.523 12.473 1.00 0.00 C ATOM 173 C GLU A 17 -1.397 -5.051 11.888 1.00 0.00 C ATOM 174 O GLU A 17 -0.864 -4.012 12.278 1.00 0.00 O ATOM 175 CB GLU A 17 -2.470 -6.372 13.721 1.00 0.00 C ATOM 176 CG GLU A 17 -3.744 -6.842 14.406 1.00 0.00 C ATOM 177 CD GLU A 17 -3.570 -7.019 15.901 1.00 0.00 C ATOM 178 OE1 GLU A 17 -3.700 -6.019 16.638 1.00 0.00 O ATOM 179 OE2 GLU A 17 -3.307 -8.160 16.337 1.00 0.00 O ATOM 0 H GLU A 17 -3.820 -7.185 11.815 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.313 -4.651 12.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.874 -7.242 13.444 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.878 -5.793 14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.540 -6.121 14.219 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.061 -7.788 13.966 1.00 0.00 H new ATOM 186 N ALA A 18 -0.879 -5.825 10.941 1.00 0.00 N ATOM 187 CA ALA A 18 0.377 -5.496 10.285 1.00 0.00 C ATOM 188 C ALA A 18 0.163 -4.454 9.193 1.00 0.00 C ATOM 189 O ALA A 18 0.951 -3.521 9.055 1.00 0.00 O ATOM 190 CB ALA A 18 1.012 -6.750 9.703 1.00 0.00 C ATOM 0 H ALA A 18 -1.313 -6.687 10.611 1.00 0.00 H new ATOM 0 HA ALA A 18 1.051 -5.074 11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.951 -6.489 9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.205 -7.465 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.336 -7.195 8.974 1.00 0.00 H new ATOM 196 N ALA A 19 -0.918 -4.617 8.427 1.00 0.00 N ATOM 197 CA ALA A 19 -1.251 -3.693 7.345 1.00 0.00 C ATOM 198 C ALA A 19 -1.231 -2.258 7.838 1.00 0.00 C ATOM 199 O ALA A 19 -0.575 -1.391 7.256 1.00 0.00 O ATOM 200 CB ALA A 19 -2.612 -4.045 6.761 1.00 0.00 C ATOM 0 H ALA A 19 -1.580 -5.385 8.539 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.500 -3.787 6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.853 -3.351 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.588 -5.062 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.371 -3.974 7.540 1.00 0.00 H new ATOM 206 N SER A 20 -1.942 -2.020 8.927 1.00 0.00 N ATOM 207 CA SER A 20 -2.003 -0.697 9.521 1.00 0.00 C ATOM 208 C SER A 20 -0.642 -0.310 10.090 1.00 0.00 C ATOM 209 O SER A 20 -0.303 0.871 10.178 1.00 0.00 O ATOM 210 CB SER A 20 -3.063 -0.654 10.623 1.00 0.00 C ATOM 211 OG SER A 20 -4.345 -0.374 10.087 1.00 0.00 O ATOM 0 H SER A 20 -2.486 -2.729 9.419 1.00 0.00 H new ATOM 0 HA SER A 20 -2.277 0.017 8.745 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.085 -1.609 11.148 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.798 0.107 11.357 1.00 0.00 H new ATOM 0 HG SER A 20 -5.005 -0.354 10.811 1.00 0.00 H new ATOM 217 N ALA A 21 0.132 -1.319 10.480 1.00 0.00 N ATOM 218 CA ALA A 21 1.450 -1.094 11.046 1.00 0.00 C ATOM 219 C ALA A 21 2.463 -0.701 9.977 1.00 0.00 C ATOM 220 O ALA A 21 3.435 -0.001 10.261 1.00 0.00 O ATOM 221 CB ALA A 21 1.927 -2.332 11.789 1.00 0.00 C ATOM 0 H ALA A 21 -0.135 -2.301 10.412 1.00 0.00 H new ATOM 0 HA ALA A 21 1.368 -0.265 11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.916 -2.147 12.207 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.230 -2.564 12.594 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.977 -3.174 11.099 1.00 0.00 H new ATOM 227 N ILE A 22 2.236 -1.149 8.744 1.00 0.00 N ATOM 228 CA ILE A 22 3.136 -0.835 7.650 1.00 0.00 C ATOM 229 C ILE A 22 3.104 0.655 7.350 1.00 0.00 C ATOM 230 O ILE A 22 4.127 1.335 7.415 1.00 0.00 O ATOM 231 CB ILE A 22 2.770 -1.605 6.367 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.324 -3.034 6.688 1.00 0.00 C ATOM 233 CG2 ILE A 22 3.949 -1.611 5.412 1.00 0.00 C ATOM 234 CD1 ILE A 22 2.152 -3.909 5.465 1.00 0.00 C ATOM 0 H ILE A 22 1.438 -1.728 8.484 1.00 0.00 H new ATOM 0 HA ILE A 22 4.136 -1.135 7.964 1.00 0.00 H new ATOM 0 HB ILE A 22 1.932 -1.098 5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.057 -3.493 7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.380 -2.997 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.682 -2.157 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.212 -0.586 5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.801 -2.094 5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.835 -4.906 5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.397 -3.474 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.100 -3.978 4.931 1.00 0.00 H new ATOM 238 N ALA A 23 1.915 1.156 7.032 1.00 0.00 N ATOM 239 CA ALA A 23 1.735 2.572 6.726 1.00 0.00 C ATOM 240 C ALA A 23 2.388 3.442 7.792 1.00 0.00 C ATOM 241 O ALA A 23 2.948 4.497 7.498 1.00 0.00 O ATOM 242 CB ALA A 23 0.253 2.900 6.609 1.00 0.00 C ATOM 0 H ALA A 23 1.060 0.602 6.979 1.00 0.00 H new ATOM 0 HA ALA A 23 2.218 2.782 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.132 3.959 6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.190 2.304 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.245 2.673 7.551 1.00 0.00 H new ATOM 248 N GLU A 24 2.303 2.983 9.032 1.00 0.00 N ATOM 249 CA GLU A 24 2.877 3.700 10.159 1.00 0.00 C ATOM 250 C GLU A 24 4.397 3.564 10.184 1.00 0.00 C ATOM 251 O GLU A 24 5.105 4.462 10.640 1.00 0.00 O ATOM 252 CB GLU A 24 2.293 3.169 11.467 1.00 0.00 C ATOM 253 CG GLU A 24 2.101 4.239 12.529 1.00 0.00 C ATOM 254 CD GLU A 24 2.640 3.821 13.884 1.00 0.00 C ATOM 255 OE1 GLU A 24 2.157 2.805 14.427 1.00 0.00 O ATOM 256 OE2 GLU A 24 3.545 4.509 14.401 1.00 0.00 O ATOM 0 H GLU A 24 1.838 2.111 9.283 1.00 0.00 H new ATOM 0 HA GLU A 24 2.629 4.756 10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.332 2.698 11.261 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.951 2.393 11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.599 5.155 12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.039 4.469 12.620 1.00 0.00 H new ATOM 263 N GLU A 25 4.890 2.429 9.702 1.00 0.00 N ATOM 264 CA GLU A 25 6.325 2.161 9.680 1.00 0.00 C ATOM 265 C GLU A 25 7.027 2.950 8.579 1.00 0.00 C ATOM 266 O GLU A 25 8.048 3.594 8.822 1.00 0.00 O ATOM 267 CB GLU A 25 6.579 0.664 9.489 1.00 0.00 C ATOM 268 CG GLU A 25 6.696 -0.104 10.796 1.00 0.00 C ATOM 269 CD GLU A 25 8.041 0.092 11.468 1.00 0.00 C ATOM 270 OE1 GLU A 25 8.363 1.243 11.829 1.00 0.00 O ATOM 271 OE2 GLU A 25 8.773 -0.907 11.634 1.00 0.00 O ATOM 0 H GLU A 25 4.316 1.677 9.320 1.00 0.00 H new ATOM 0 HA GLU A 25 6.736 2.481 10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.768 0.239 8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.496 0.530 8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.905 0.217 11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.541 -1.166 10.605 1.00 0.00 H new ATOM 278 N LEU A 26 6.483 2.894 7.368 1.00 0.00 N ATOM 279 CA LEU A 26 7.069 3.604 6.234 1.00 0.00 C ATOM 280 C LEU A 26 6.577 5.042 6.187 1.00 0.00 C ATOM 281 O LEU A 26 7.365 5.986 6.251 1.00 0.00 O ATOM 282 CB LEU A 26 6.734 2.897 4.912 1.00 0.00 C ATOM 283 CG LEU A 26 5.837 1.665 5.031 1.00 0.00 C ATOM 284 CD1 LEU A 26 5.386 1.199 3.663 1.00 0.00 C ATOM 285 CD2 LEU A 26 6.567 0.551 5.768 1.00 0.00 C ATOM 0 H LEU A 26 5.639 2.366 7.145 1.00 0.00 H new ATOM 0 HA LEU A 26 8.151 3.605 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.250 3.614 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.667 2.600 4.433 1.00 0.00 H new ATOM 0 HG LEU A 26 4.950 1.935 5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.749 0.321 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.827 1.996 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.257 0.944 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.917 -0.321 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.470 0.283 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.838 0.892 6.767 1.00 0.00 H new ATOM 291 N GLY A 27 5.266 5.197 6.071 1.00 0.00 N ATOM 292 CA GLY A 27 4.675 6.522 6.012 1.00 0.00 C ATOM 293 C GLY A 27 3.620 6.637 4.931 1.00 0.00 C ATOM 294 O GLY A 27 3.829 7.300 3.915 1.00 0.00 O ATOM 0 H GLY A 27 4.598 4.428 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.229 6.761 6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.458 7.258 5.831 1.00 0.00 H new ATOM 298 N TYR A 28 2.483 5.987 5.150 1.00 0.00 N ATOM 299 CA TYR A 28 1.385 6.011 4.190 1.00 0.00 C ATOM 300 C TYR A 28 0.046 5.869 4.899 1.00 0.00 C ATOM 301 O TYR A 28 -0.009 5.574 6.093 1.00 0.00 O ATOM 302 CB TYR A 28 1.539 4.872 3.180 1.00 0.00 C ATOM 303 CG TYR A 28 2.603 5.110 2.136 1.00 0.00 C ATOM 304 CD1 TYR A 28 3.945 4.916 2.430 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.263 5.522 0.855 1.00 0.00 C ATOM 306 CE1 TYR A 28 4.920 5.124 1.475 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.231 5.734 -0.107 1.00 0.00 C ATOM 308 CZ TYR A 28 4.558 5.534 0.208 1.00 0.00 C ATOM 309 OH TYR A 28 5.527 5.743 -0.746 1.00 0.00 O ATOM 0 H TYR A 28 2.297 5.435 5.987 1.00 0.00 H new ATOM 0 HA TYR A 28 1.415 6.968 3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.773 3.953 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.584 4.714 2.679 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.231 4.597 3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.224 5.679 0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.960 4.967 1.718 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.950 6.054 -1.099 1.00 0.00 H new ATOM 0 HH TYR A 28 5.105 6.028 -1.584 1.00 0.00 H new ATOM 319 N ASP A 29 -1.034 6.051 4.149 1.00 0.00 N ATOM 320 CA ASP A 29 -2.374 5.911 4.699 1.00 0.00 C ATOM 321 C ASP A 29 -2.941 4.555 4.309 1.00 0.00 C ATOM 322 O ASP A 29 -3.433 4.373 3.195 1.00 0.00 O ATOM 323 CB ASP A 29 -3.291 7.028 4.199 1.00 0.00 C ATOM 324 CG ASP A 29 -2.876 8.393 4.711 1.00 0.00 C ATOM 325 OD1 ASP A 29 -2.763 8.554 5.945 1.00 0.00 O ATOM 326 OD2 ASP A 29 -2.665 9.300 3.879 1.00 0.00 O ATOM 0 H ASP A 29 -1.007 6.296 3.159 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.316 5.985 5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.287 7.036 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.314 6.821 4.513 1.00 0.00 H new ATOM 331 N LEU A 30 -2.851 3.602 5.224 1.00 0.00 N ATOM 332 CA LEU A 30 -3.336 2.254 4.969 1.00 0.00 C ATOM 333 C LEU A 30 -4.801 2.124 5.341 1.00 0.00 C ATOM 334 O LEU A 30 -5.192 2.455 6.460 1.00 0.00 O ATOM 335 CB LEU A 30 -2.511 1.245 5.766 1.00 0.00 C ATOM 336 CG LEU A 30 -2.995 -0.208 5.702 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.922 -0.520 6.863 1.00 0.00 C ATOM 338 CD2 LEU A 30 -3.662 -0.510 4.367 1.00 0.00 C ATOM 0 H LEU A 30 -2.446 3.737 6.150 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.232 2.050 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.482 1.282 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.497 1.558 6.810 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.122 -0.856 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.253 -1.557 6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.392 -0.368 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.788 0.140 6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.994 -1.548 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.521 0.148 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.949 -0.346 3.559 1.00 0.00 H new ATOM 344 N LEU A 31 -5.609 1.625 4.409 1.00 0.00 N ATOM 345 CA LEU A 31 -7.021 1.448 4.662 1.00 0.00 C ATOM 346 C LEU A 31 -7.564 0.219 3.961 1.00 0.00 C ATOM 347 O LEU A 31 -7.878 0.241 2.772 1.00 0.00 O ATOM 348 CB LEU A 31 -7.837 2.677 4.236 1.00 0.00 C ATOM 349 CG LEU A 31 -7.402 4.027 4.821 1.00 0.00 C ATOM 350 CD1 LEU A 31 -7.316 3.962 6.338 1.00 0.00 C ATOM 351 CD2 LEU A 31 -6.077 4.475 4.220 1.00 0.00 C ATOM 0 H LEU A 31 -5.304 1.340 3.478 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.124 1.316 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.801 2.749 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.878 2.506 4.510 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.159 4.767 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.006 4.932 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.293 3.703 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.588 3.205 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.788 5.434 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.309 3.733 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.184 4.578 3.140 1.00 0.00 H new ATOM 357 N GLY A 32 -7.676 -0.848 4.726 1.00 0.00 N ATOM 358 CA GLY A 32 -8.190 -2.096 4.199 1.00 0.00 C ATOM 359 C GLY A 32 -9.240 -2.727 5.089 1.00 0.00 C ATOM 360 O GLY A 32 -8.919 -3.544 5.952 1.00 0.00 O ATOM 0 H GLY A 32 -7.419 -0.876 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.617 -1.919 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.365 -2.796 4.068 1.00 0.00 H new ATOM 364 N GLN A 33 -10.497 -2.355 4.882 1.00 0.00 N ATOM 365 CA GLN A 33 -11.586 -2.904 5.678 1.00 0.00 C ATOM 366 C GLN A 33 -12.896 -2.934 4.891 1.00 0.00 C ATOM 367 O GLN A 33 -13.919 -2.434 5.360 1.00 0.00 O ATOM 368 CB GLN A 33 -11.759 -2.088 6.961 1.00 0.00 C ATOM 369 CG GLN A 33 -10.904 -2.586 8.114 1.00 0.00 C ATOM 370 CD GLN A 33 -11.482 -2.228 9.469 1.00 0.00 C ATOM 371 OE1 GLN A 33 -12.645 -1.838 9.578 1.00 0.00 O ATOM 372 NE2 GLN A 33 -10.670 -2.359 10.512 1.00 0.00 N ATOM 0 H GLN A 33 -10.786 -1.680 4.174 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.329 -3.932 5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.509 -1.047 6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.807 -2.112 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.800 -3.669 8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.903 -2.163 8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.713 -2.686 10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.003 -2.133 11.449 1.00 0.00 H new ATOM 379 N ILE A 34 -12.869 -3.526 3.698 1.00 0.00 N ATOM 380 CA ILE A 34 -14.074 -3.609 2.876 1.00 0.00 C ATOM 381 C ILE A 34 -15.176 -4.363 3.607 1.00 0.00 C ATOM 382 O ILE A 34 -16.363 -4.140 3.371 1.00 0.00 O ATOM 383 CB ILE A 34 -13.822 -4.274 1.499 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.634 -5.243 1.543 1.00 0.00 C ATOM 385 CG2 ILE A 34 -13.591 -3.209 0.438 1.00 0.00 C ATOM 386 CD1 ILE A 34 -12.679 -6.212 2.702 1.00 0.00 C ATOM 0 H ILE A 34 -12.039 -3.949 3.284 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.386 -2.581 2.693 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.710 -4.852 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.603 -5.807 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.710 -4.668 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.415 -3.687 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -14.469 -2.567 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.723 -2.608 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.806 -6.864 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.678 -5.657 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.585 -6.815 2.638 1.00 0.00 H new ATOM 390 N GLY A 35 -14.768 -5.243 4.506 1.00 0.00 N ATOM 391 CA GLY A 35 -15.723 -6.016 5.282 1.00 0.00 C ATOM 392 C GLY A 35 -16.327 -7.169 4.503 1.00 0.00 C ATOM 393 O GLY A 35 -16.193 -8.327 4.897 1.00 0.00 O ATOM 0 H GLY A 35 -13.789 -5.439 4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.229 -6.406 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.522 -5.358 5.624 1.00 0.00 H new ATOM 397 N SER A 36 -16.997 -6.848 3.397 1.00 0.00 N ATOM 398 CA SER A 36 -17.633 -7.861 2.552 1.00 0.00 C ATOM 399 C SER A 36 -16.747 -9.094 2.405 1.00 0.00 C ATOM 400 O SER A 36 -17.210 -10.228 2.533 1.00 0.00 O ATOM 401 CB SER A 36 -17.937 -7.276 1.173 1.00 0.00 C ATOM 402 OG SER A 36 -18.979 -6.317 1.241 1.00 0.00 O ATOM 0 H SER A 36 -17.114 -5.891 3.063 1.00 0.00 H new ATOM 0 HA SER A 36 -18.563 -8.164 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 36 -17.039 -6.812 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 36 -18.220 -8.077 0.490 1.00 0.00 H new ATOM 0 HG SER A 36 -19.152 -5.958 0.346 1.00 0.00 H new ATOM 408 N LEU A 37 -15.471 -8.856 2.137 1.00 0.00 N ATOM 409 CA LEU A 37 -14.501 -9.928 1.969 1.00 0.00 C ATOM 410 C LEU A 37 -13.429 -9.858 3.053 1.00 0.00 C ATOM 411 O LEU A 37 -12.658 -10.798 3.246 1.00 0.00 O ATOM 412 CB LEU A 37 -13.870 -9.810 0.596 1.00 0.00 C ATOM 413 CG LEU A 37 -13.231 -8.455 0.343 1.00 0.00 C ATOM 414 CD1 LEU A 37 -11.758 -8.524 0.646 1.00 0.00 C ATOM 415 CD2 LEU A 37 -13.475 -7.995 -1.075 1.00 0.00 C ATOM 0 H LEU A 37 -15.081 -7.920 2.030 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.007 -10.890 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.114 -10.587 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.631 -9.993 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.691 -7.721 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.303 -7.550 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.614 -8.802 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.289 -9.270 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.007 -7.023 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.047 -8.717 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.547 -7.913 -1.251 1.00 0.00 H new ATOM 421 N GLU A 38 -13.418 -8.738 3.770 1.00 0.00 N ATOM 422 CA GLU A 38 -12.488 -8.497 4.868 1.00 0.00 C ATOM 423 C GLU A 38 -11.119 -9.137 4.655 1.00 0.00 C ATOM 424 O GLU A 38 -10.920 -10.314 4.957 1.00 0.00 O ATOM 425 CB GLU A 38 -13.104 -9.010 6.153 1.00 0.00 C ATOM 426 CG GLU A 38 -13.851 -10.316 5.966 1.00 0.00 C ATOM 427 CD GLU A 38 -14.527 -10.794 7.235 1.00 0.00 C ATOM 428 OE1 GLU A 38 -14.835 -9.947 8.099 1.00 0.00 O ATOM 429 OE2 GLU A 38 -14.748 -12.016 7.366 1.00 0.00 O ATOM 0 H GLU A 38 -14.061 -7.964 3.603 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.317 -7.422 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.319 -9.149 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.788 -8.259 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.601 -10.191 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.155 -11.081 5.620 1.00 0.00 H new ATOM 436 N ASN A 39 -10.177 -8.338 4.159 1.00 0.00 N ATOM 437 CA ASN A 39 -8.804 -8.792 3.919 1.00 0.00 C ATOM 438 C ASN A 39 -8.045 -7.790 3.055 1.00 0.00 C ATOM 439 O ASN A 39 -6.832 -7.640 3.173 1.00 0.00 O ATOM 440 CB ASN A 39 -8.785 -10.198 3.285 1.00 0.00 C ATOM 441 CG ASN A 39 -8.219 -10.217 1.880 1.00 0.00 C ATOM 442 OD1 ASN A 39 -7.215 -10.873 1.606 1.00 0.00 O ATOM 443 ND2 ASN A 39 -8.870 -9.493 0.983 1.00 0.00 N ATOM 0 H ASN A 39 -10.340 -7.362 3.912 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.299 -8.857 4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.196 -10.865 3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.801 -10.593 3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.543 -9.463 0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.698 -8.965 1.258 1.00 0.00 H new ATOM 448 N HIS A 40 -8.776 -7.115 2.189 1.00 0.00 N ATOM 449 CA HIS A 40 -8.210 -6.119 1.293 1.00 0.00 C ATOM 450 C HIS A 40 -7.607 -4.964 2.078 1.00 0.00 C ATOM 451 O HIS A 40 -8.142 -4.558 3.108 1.00 0.00 O ATOM 452 CB HIS A 40 -9.292 -5.594 0.346 1.00 0.00 C ATOM 453 CG HIS A 40 -8.756 -4.765 -0.779 1.00 0.00 C ATOM 454 ND1 HIS A 40 -8.125 -3.554 -0.588 1.00 0.00 N ATOM 455 CD2 HIS A 40 -8.761 -4.978 -2.117 1.00 0.00 C ATOM 456 CE1 HIS A 40 -7.767 -3.057 -1.758 1.00 0.00 C ATOM 457 NE2 HIS A 40 -8.140 -3.901 -2.702 1.00 0.00 N ATOM 0 H HIS A 40 -9.783 -7.241 2.085 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.418 -6.591 0.712 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.842 -6.439 -0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.004 -4.999 0.917 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.176 -5.834 -2.628 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -7.256 -2.119 -1.916 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.991 -3.774 -3.703 1.00 0.00 H new ATOM 466 N TYR A 41 -6.495 -4.438 1.580 1.00 0.00 N ATOM 467 CA TYR A 41 -5.815 -3.324 2.228 1.00 0.00 C ATOM 468 C TYR A 41 -5.121 -2.456 1.189 1.00 0.00 C ATOM 469 O TYR A 41 -4.472 -2.965 0.276 1.00 0.00 O ATOM 470 CB TYR A 41 -4.824 -3.844 3.272 1.00 0.00 C ATOM 471 CG TYR A 41 -5.454 -4.078 4.632 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.209 -5.216 4.885 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.303 -3.156 5.657 1.00 0.00 C ATOM 474 CE1 TYR A 41 -6.791 -5.426 6.118 1.00 0.00 C ATOM 475 CE2 TYR A 41 -5.883 -3.358 6.894 1.00 0.00 C ATOM 476 CZ TYR A 41 -6.626 -4.494 7.120 1.00 0.00 C ATOM 477 OH TYR A 41 -7.207 -4.699 8.351 1.00 0.00 O ATOM 0 H TYR A 41 -6.044 -4.767 0.726 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.551 -2.707 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.388 -4.777 2.916 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.007 -3.129 3.375 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.343 -5.949 4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.721 -2.263 5.485 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.374 -6.317 6.298 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.754 -2.628 7.680 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.099 -5.086 8.231 1.00 0.00 H new ATOM 487 N LEU A 42 -5.291 -1.139 1.308 1.00 0.00 N ATOM 488 CA LEU A 42 -4.701 -0.220 0.342 1.00 0.00 C ATOM 489 C LEU A 42 -4.001 0.958 1.027 1.00 0.00 C ATOM 490 O LEU A 42 -4.326 1.315 2.157 1.00 0.00 O ATOM 491 CB LEU A 42 -5.791 0.245 -0.635 1.00 0.00 C ATOM 492 CG LEU A 42 -6.256 1.694 -0.500 1.00 0.00 C ATOM 493 CD1 LEU A 42 -6.256 2.364 -1.863 1.00 0.00 C ATOM 494 CD2 LEU A 42 -7.637 1.748 0.131 1.00 0.00 C ATOM 0 H LEU A 42 -5.825 -0.692 2.053 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.924 -0.741 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.424 0.098 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.658 -0.404 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.566 2.232 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.588 3.397 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.248 2.347 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.932 1.830 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.956 2.787 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.345 1.204 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.603 1.292 1.120 1.00 0.00 H new ATOM 500 N PHE A 43 -3.026 1.544 0.329 1.00 0.00 N ATOM 501 CA PHE A 43 -2.253 2.667 0.863 1.00 0.00 C ATOM 502 C PHE A 43 -2.524 3.961 0.100 1.00 0.00 C ATOM 503 O PHE A 43 -2.936 3.936 -1.056 1.00 0.00 O ATOM 504 CB PHE A 43 -0.759 2.351 0.779 1.00 0.00 C ATOM 505 CG PHE A 43 -0.216 1.630 1.976 1.00 0.00 C ATOM 506 CD1 PHE A 43 -0.952 0.637 2.601 1.00 0.00 C ATOM 507 CD2 PHE A 43 1.034 1.950 2.475 1.00 0.00 C ATOM 508 CE1 PHE A 43 -0.448 -0.024 3.703 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.544 1.292 3.574 1.00 0.00 C ATOM 510 CZ PHE A 43 0.801 0.306 4.190 1.00 0.00 C ATOM 0 H PHE A 43 -2.752 1.258 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.559 2.809 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.576 1.746 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.209 3.283 0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.930 0.377 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.617 2.724 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.029 -0.797 4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.523 1.548 3.952 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.197 -0.208 5.054 1.00 0.00 H new ATOM 520 N LYS A 44 -2.262 5.092 0.754 1.00 0.00 N ATOM 521 CA LYS A 44 -2.450 6.401 0.135 1.00 0.00 C ATOM 522 C LYS A 44 -1.479 7.424 0.716 1.00 0.00 C ATOM 523 O LYS A 44 -1.547 7.756 1.899 1.00 0.00 O ATOM 524 CB LYS A 44 -3.886 6.889 0.320 1.00 0.00 C ATOM 525 CG LYS A 44 -4.912 6.016 -0.376 1.00 0.00 C ATOM 526 CD LYS A 44 -5.348 4.870 0.516 1.00 0.00 C ATOM 527 CE LYS A 44 -6.713 5.127 1.130 1.00 0.00 C ATOM 528 NZ LYS A 44 -6.801 6.485 1.737 1.00 0.00 N ATOM 0 H LYS A 44 -1.918 5.127 1.714 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.249 6.293 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.115 6.927 1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.968 7.907 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.779 6.617 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.491 5.621 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.377 3.948 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.614 4.725 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.482 5.021 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.916 4.375 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.653 6.545 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.958 6.659 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.853 7.199 0.983 1.00 0.00 H new ATOM 542 N HIS A 45 -0.580 7.924 -0.125 1.00 0.00 N ATOM 543 CA HIS A 45 0.401 8.913 0.305 1.00 0.00 C ATOM 544 C HIS A 45 1.134 9.504 -0.894 1.00 0.00 C ATOM 545 O HIS A 45 2.363 9.587 -0.908 1.00 0.00 O ATOM 546 CB HIS A 45 1.401 8.292 1.280 1.00 0.00 C ATOM 547 CG HIS A 45 1.821 9.219 2.376 1.00 0.00 C ATOM 548 ND1 HIS A 45 1.178 9.287 3.594 1.00 0.00 N ATOM 549 CD2 HIS A 45 2.828 10.124 2.435 1.00 0.00 C ATOM 550 CE1 HIS A 45 1.770 10.191 4.354 1.00 0.00 C ATOM 551 NE2 HIS A 45 2.773 10.713 3.674 1.00 0.00 N ATOM 0 H HIS A 45 -0.511 7.661 -1.108 1.00 0.00 H new ATOM 0 HA HIS A 45 -0.131 9.716 0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.959 7.398 1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.284 7.972 0.727 1.00 0.00 H new ATOM 0 HD2 HIS A 45 3.541 10.341 1.653 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.482 10.457 5.360 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.406 11.437 4.014 1.00 0.00 H new ATOM 560 N LYS A 46 0.370 9.912 -1.902 1.00 0.00 N ATOM 561 CA LYS A 46 0.944 10.496 -3.108 1.00 0.00 C ATOM 562 C LYS A 46 0.951 12.018 -3.024 1.00 0.00 C ATOM 563 O LYS A 46 -0.081 12.665 -3.200 1.00 0.00 O ATOM 564 CB LYS A 46 0.160 10.046 -4.342 1.00 0.00 C ATOM 565 CG LYS A 46 0.677 8.753 -4.956 1.00 0.00 C ATOM 566 CD LYS A 46 2.160 8.841 -5.281 1.00 0.00 C ATOM 567 CE LYS A 46 2.981 7.912 -4.401 1.00 0.00 C ATOM 568 NZ LYS A 46 2.593 6.486 -4.583 1.00 0.00 N ATOM 0 H LYS A 46 -0.648 9.849 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 46 1.974 10.149 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.887 9.915 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.197 10.835 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.504 7.927 -4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.117 8.532 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.319 8.586 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.502 9.867 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.039 8.033 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.851 8.193 -3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.414 5.876 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.826 6.248 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.268 6.337 -5.559 1.00 0.00 H new ATOM 582 N SER A 47 2.123 12.582 -2.760 1.00 0.00 N ATOM 583 CA SER A 47 2.273 14.024 -2.657 1.00 0.00 C ATOM 584 C SER A 47 3.712 14.443 -2.943 1.00 0.00 C ATOM 585 O SER A 47 4.174 15.479 -2.466 1.00 0.00 O ATOM 586 CB SER A 47 1.853 14.508 -1.267 1.00 0.00 C ATOM 587 OG SER A 47 2.079 15.900 -1.122 1.00 0.00 O ATOM 0 H SER A 47 2.986 12.058 -2.613 1.00 0.00 H new ATOM 0 HA SER A 47 1.624 14.484 -3.402 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.797 14.289 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.411 13.964 -0.505 1.00 0.00 H new ATOM 0 HG SER A 47 2.952 16.131 -1.503 1.00 0.00 H new ATOM 593 N HIS A 48 4.416 13.631 -3.726 1.00 0.00 N ATOM 594 CA HIS A 48 5.804 13.920 -4.075 1.00 0.00 C ATOM 595 C HIS A 48 5.992 13.996 -5.594 1.00 0.00 C ATOM 596 O HIS A 48 6.483 15.000 -6.109 1.00 0.00 O ATOM 597 CB HIS A 48 6.758 12.873 -3.477 1.00 0.00 C ATOM 598 CG HIS A 48 6.089 11.839 -2.623 1.00 0.00 C ATOM 599 ND1 HIS A 48 6.197 10.485 -2.860 1.00 0.00 N ATOM 600 CD2 HIS A 48 5.299 11.964 -1.529 1.00 0.00 C ATOM 601 CE1 HIS A 48 5.503 9.822 -1.953 1.00 0.00 C ATOM 602 NE2 HIS A 48 4.949 10.696 -1.132 1.00 0.00 N ATOM 0 H HIS A 48 4.050 12.769 -4.130 1.00 0.00 H new ATOM 0 HA HIS A 48 6.047 14.893 -3.649 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.282 12.371 -4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.512 13.386 -2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.000 12.888 -1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.405 8.748 -1.893 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.358 10.467 -0.333 1.00 0.00 H new ATOM 611 N PRO A 49 5.612 12.937 -6.338 1.00 0.00 N ATOM 612 CA PRO A 49 5.754 12.906 -7.795 1.00 0.00 C ATOM 613 C PRO A 49 4.718 13.766 -8.507 1.00 0.00 C ATOM 614 O PRO A 49 3.904 14.438 -7.874 1.00 0.00 O ATOM 615 CB PRO A 49 5.539 11.429 -8.165 1.00 0.00 C ATOM 616 CG PRO A 49 5.449 10.688 -6.869 1.00 0.00 C ATOM 617 CD PRO A 49 5.024 11.689 -5.836 1.00 0.00 C ATOM 0 HA PRO A 49 6.723 13.302 -8.098 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.629 11.302 -8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.363 11.055 -8.772 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.730 9.872 -6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.410 10.245 -6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.939 11.755 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.400 11.434 -4.845 1.00 0.00 H new ATOM 625 N ARG A 50 4.755 13.719 -9.832 1.00 0.00 N ATOM 626 CA ARG A 50 3.821 14.466 -10.660 1.00 0.00 C ATOM 627 C ARG A 50 3.245 13.551 -11.734 1.00 0.00 C ATOM 628 O ARG A 50 3.340 13.835 -12.928 1.00 0.00 O ATOM 629 CB ARG A 50 4.518 15.666 -11.305 1.00 0.00 C ATOM 630 CG ARG A 50 4.607 16.879 -10.393 1.00 0.00 C ATOM 631 CD ARG A 50 4.481 18.177 -11.175 1.00 0.00 C ATOM 632 NE ARG A 50 3.595 19.131 -10.511 1.00 0.00 N ATOM 633 CZ ARG A 50 2.267 19.073 -10.568 1.00 0.00 C ATOM 634 NH1 ARG A 50 1.665 18.111 -11.256 1.00 0.00 N ATOM 635 NH2 ARG A 50 1.536 19.980 -9.933 1.00 0.00 N ATOM 0 H ARG A 50 5.430 13.165 -10.360 1.00 0.00 H new ATOM 0 HA ARG A 50 3.011 14.837 -10.033 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.524 15.373 -11.606 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.982 15.943 -12.213 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.819 16.828 -9.641 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.558 16.865 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.468 18.623 -11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.101 17.963 -12.174 1.00 0.00 H new ATOM 0 HE ARG A 50 4.020 19.886 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.221 17.410 -11.746 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.646 18.073 -11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.992 20.721 -9.401 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.518 19.936 -9.976 1.00 0.00 H new ATOM 649 N ARG A 51 2.667 12.435 -11.290 1.00 0.00 N ATOM 650 CA ARG A 51 2.081 11.443 -12.191 1.00 0.00 C ATOM 651 C ARG A 51 3.034 11.130 -13.340 1.00 0.00 C ATOM 652 O ARG A 51 2.779 11.486 -14.491 1.00 0.00 O ATOM 653 CB ARG A 51 0.729 11.925 -12.733 1.00 0.00 C ATOM 654 CG ARG A 51 0.776 13.295 -13.391 1.00 0.00 C ATOM 655 CD ARG A 51 -0.537 13.626 -14.082 1.00 0.00 C ATOM 656 NE ARG A 51 -1.680 13.486 -13.183 1.00 0.00 N ATOM 657 CZ ARG A 51 -2.049 14.413 -12.303 1.00 0.00 C ATOM 658 NH1 ARG A 51 -1.365 15.546 -12.194 1.00 0.00 N ATOM 659 NH2 ARG A 51 -3.105 14.207 -11.527 1.00 0.00 N ATOM 0 H ARG A 51 2.592 12.194 -10.302 1.00 0.00 H new ATOM 0 HA ARG A 51 1.913 10.529 -11.621 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.360 11.199 -13.457 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.010 11.952 -11.914 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.994 14.054 -12.639 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.588 13.323 -14.118 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.499 14.646 -14.463 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.670 12.969 -14.942 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.227 12.627 -13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.551 15.710 -12.787 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.653 16.253 -11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.634 13.338 -11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.388 14.917 -10.852 1.00 0.00 H new ATOM 673 N SER A 52 4.137 10.460 -13.010 1.00 0.00 N ATOM 674 CA SER A 52 5.150 10.090 -14.000 1.00 0.00 C ATOM 675 C SER A 52 6.443 9.669 -13.312 1.00 0.00 C ATOM 676 O SER A 52 7.086 8.699 -13.712 1.00 0.00 O ATOM 677 CB SER A 52 5.432 11.258 -14.952 1.00 0.00 C ATOM 678 OG SER A 52 4.642 11.162 -16.125 1.00 0.00 O ATOM 0 H SER A 52 4.354 10.160 -12.059 1.00 0.00 H new ATOM 0 HA SER A 52 4.763 9.250 -14.576 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.225 12.201 -14.447 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.488 11.265 -15.221 1.00 0.00 H new ATOM 0 HG SER A 52 3.706 11.010 -15.878 1.00 0.00 H new ATOM 684 N ARG A 53 6.818 10.407 -12.272 1.00 0.00 N ATOM 685 CA ARG A 53 8.034 10.115 -11.523 1.00 0.00 C ATOM 686 C ARG A 53 7.807 8.969 -10.543 1.00 0.00 C ATOM 687 O ARG A 53 7.572 9.192 -9.356 1.00 0.00 O ATOM 688 CB ARG A 53 8.503 11.362 -10.771 1.00 0.00 C ATOM 689 CG ARG A 53 9.755 11.138 -9.935 1.00 0.00 C ATOM 690 CD ARG A 53 10.045 12.329 -9.037 1.00 0.00 C ATOM 691 NE ARG A 53 11.063 12.025 -8.034 1.00 0.00 N ATOM 692 CZ ARG A 53 10.817 11.368 -6.903 1.00 0.00 C ATOM 693 NH1 ARG A 53 9.591 10.939 -6.628 1.00 0.00 N ATOM 694 NH2 ARG A 53 11.801 11.137 -6.044 1.00 0.00 N ATOM 0 H ARG A 53 6.296 11.213 -11.929 1.00 0.00 H new ATOM 0 HA ARG A 53 8.806 9.814 -12.231 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.695 12.158 -11.490 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.699 11.707 -10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.631 10.243 -9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.606 10.961 -10.593 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.376 13.170 -9.646 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.127 12.639 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 53 12.019 12.335 -8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.831 11.112 -7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.410 10.436 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.745 11.463 -6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.613 10.634 -5.177 1.00 0.00 H new ATOM 708 N ARG A 54 7.880 7.742 -11.047 1.00 0.00 N ATOM 709 CA ARG A 54 7.682 6.562 -10.214 1.00 0.00 C ATOM 710 C ARG A 54 8.697 6.525 -9.076 1.00 0.00 C ATOM 711 O ARG A 54 9.894 6.711 -9.293 1.00 0.00 O ATOM 712 CB ARG A 54 7.799 5.290 -11.057 1.00 0.00 C ATOM 713 CG ARG A 54 8.994 5.291 -11.999 1.00 0.00 C ATOM 714 CD ARG A 54 9.987 4.189 -11.656 1.00 0.00 C ATOM 715 NE ARG A 54 10.262 3.325 -12.802 1.00 0.00 N ATOM 716 CZ ARG A 54 9.452 2.349 -13.206 1.00 0.00 C ATOM 717 NH1 ARG A 54 8.317 2.109 -12.560 1.00 0.00 N ATOM 718 NH2 ARG A 54 9.778 1.610 -14.257 1.00 0.00 N ATOM 0 H ARG A 54 8.075 7.539 -12.027 1.00 0.00 H new ATOM 0 HA ARG A 54 6.681 6.614 -9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.872 4.429 -10.392 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.887 5.166 -11.641 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.648 5.162 -13.025 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.494 6.258 -11.951 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.918 4.636 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.594 3.589 -10.835 1.00 0.00 H new ATOM 0 HE ARG A 54 11.125 3.479 -13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.062 2.674 -11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.700 1.360 -12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.649 1.789 -14.756 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.157 0.862 -14.567 1.00 0.00 H new ATOM 732 N SER A 55 8.210 6.284 -7.863 1.00 0.00 N ATOM 733 CA SER A 55 9.079 6.222 -6.694 1.00 0.00 C ATOM 734 C SER A 55 8.701 5.050 -5.789 1.00 0.00 C ATOM 735 O SER A 55 9.217 3.944 -5.953 1.00 0.00 O ATOM 736 CB SER A 55 9.021 7.541 -5.917 1.00 0.00 C ATOM 737 OG SER A 55 9.667 7.421 -4.660 1.00 0.00 O ATOM 0 H SER A 55 7.222 6.129 -7.664 1.00 0.00 H new ATOM 0 HA SER A 55 10.101 6.064 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.495 8.331 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.982 7.834 -5.769 1.00 0.00 H new ATOM 0 HG SER A 55 9.618 8.276 -4.184 1.00 0.00 H new ATOM 743 N ALA A 56 7.800 5.291 -4.833 1.00 0.00 N ATOM 744 CA ALA A 56 7.364 4.249 -3.905 1.00 0.00 C ATOM 745 C ALA A 56 8.550 3.438 -3.392 1.00 0.00 C ATOM 746 O ALA A 56 8.715 2.268 -3.736 1.00 0.00 O ATOM 747 CB ALA A 56 6.343 3.341 -4.573 1.00 0.00 C ATOM 0 H ALA A 56 7.360 6.199 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 56 6.894 4.732 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.027 2.570 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.478 3.929 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.791 2.872 -5.449 1.00 0.00 H new ATOM 753 N LEU A 57 9.383 4.079 -2.580 1.00 0.00 N ATOM 754 CA LEU A 57 10.570 3.432 -2.030 1.00 0.00 C ATOM 755 C LEU A 57 10.269 2.711 -0.717 1.00 0.00 C ATOM 756 O LEU A 57 10.329 1.484 -0.645 1.00 0.00 O ATOM 757 CB LEU A 57 11.676 4.460 -1.810 1.00 0.00 C ATOM 758 CG LEU A 57 11.229 5.750 -1.124 1.00 0.00 C ATOM 759 CD1 LEU A 57 11.898 5.888 0.233 1.00 0.00 C ATOM 760 CD2 LEU A 57 11.521 6.946 -2.008 1.00 0.00 C ATOM 0 H LEU A 57 9.258 5.048 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 57 10.900 2.687 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.464 4.002 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.115 4.712 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 57 10.152 5.709 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.569 6.812 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.626 5.040 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.980 5.911 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.197 7.857 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.592 7.001 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.984 6.841 -2.951 1.00 0.00 H new ATOM 766 N HIS A 58 9.954 3.480 0.324 1.00 0.00 N ATOM 767 CA HIS A 58 9.655 2.915 1.634 1.00 0.00 C ATOM 768 C HIS A 58 8.357 2.117 1.608 1.00 0.00 C ATOM 769 O HIS A 58 8.069 1.361 2.534 1.00 0.00 O ATOM 770 CB HIS A 58 9.580 4.015 2.702 1.00 0.00 C ATOM 771 CG HIS A 58 8.994 5.309 2.222 1.00 0.00 C ATOM 772 ND1 HIS A 58 8.101 5.393 1.174 1.00 0.00 N ATOM 773 CD2 HIS A 58 9.179 6.578 2.657 1.00 0.00 C ATOM 774 CE1 HIS A 58 7.764 6.656 0.985 1.00 0.00 C ATOM 775 NE2 HIS A 58 8.403 7.395 1.873 1.00 0.00 N ATOM 0 H HIS A 58 9.900 4.498 0.283 1.00 0.00 H new ATOM 0 HA HIS A 58 10.468 2.236 1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.986 3.650 3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.584 4.204 3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.818 6.889 3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.082 7.022 0.232 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.332 8.409 1.962 1.00 0.00 H new ATOM 784 N ILE A 59 7.581 2.272 0.539 1.00 0.00 N ATOM 785 CA ILE A 59 6.331 1.544 0.407 1.00 0.00 C ATOM 786 C ILE A 59 6.553 0.227 -0.336 1.00 0.00 C ATOM 787 O ILE A 59 5.606 -0.505 -0.625 1.00 0.00 O ATOM 788 CB ILE A 59 5.244 2.405 -0.289 1.00 0.00 C ATOM 789 CG1 ILE A 59 3.979 2.453 0.574 1.00 0.00 C ATOM 790 CG2 ILE A 59 4.921 1.897 -1.690 1.00 0.00 C ATOM 791 CD1 ILE A 59 3.203 1.155 0.592 1.00 0.00 C ATOM 0 H ILE A 59 7.797 2.892 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 59 5.969 1.313 1.409 1.00 0.00 H new ATOM 0 HB ILE A 59 5.641 3.414 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.257 2.714 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.330 3.248 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.155 2.530 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.821 1.926 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.555 0.872 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.322 1.267 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.893 0.902 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.834 0.359 0.988 1.00 0.00 H new ATOM 795 N THR A 60 7.816 -0.077 -0.626 1.00 0.00 N ATOM 796 CA THR A 60 8.165 -1.311 -1.318 1.00 0.00 C ATOM 797 C THR A 60 9.114 -2.145 -0.465 1.00 0.00 C ATOM 798 O THR A 60 10.049 -2.761 -0.975 1.00 0.00 O ATOM 799 CB THR A 60 8.804 -1.000 -2.672 1.00 0.00 C ATOM 800 OG1 THR A 60 8.007 -0.084 -3.402 1.00 0.00 O ATOM 801 CG2 THR A 60 9.001 -2.226 -3.536 1.00 0.00 C ATOM 0 H THR A 60 8.613 0.515 -0.392 1.00 0.00 H new ATOM 0 HA THR A 60 7.253 -1.884 -1.488 1.00 0.00 H new ATOM 0 HB THR A 60 9.782 -0.578 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.568 0.652 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.458 -1.935 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.651 -2.933 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.036 -2.694 -3.729 1.00 0.00 H new ATOM 806 N LYS A 61 8.862 -2.155 0.841 1.00 0.00 N ATOM 807 CA LYS A 61 9.691 -2.907 1.777 1.00 0.00 C ATOM 808 C LYS A 61 8.832 -3.704 2.752 1.00 0.00 C ATOM 809 O LYS A 61 8.688 -4.919 2.618 1.00 0.00 O ATOM 810 CB LYS A 61 10.640 -1.974 2.554 1.00 0.00 C ATOM 811 CG LYS A 61 10.180 -0.519 2.639 1.00 0.00 C ATOM 812 CD LYS A 61 9.785 -0.129 4.059 1.00 0.00 C ATOM 813 CE LYS A 61 10.309 1.248 4.435 1.00 0.00 C ATOM 814 NZ LYS A 61 11.054 1.225 5.725 1.00 0.00 N ATOM 0 H LYS A 61 8.089 -1.650 1.275 1.00 0.00 H new ATOM 0 HA LYS A 61 10.292 -3.603 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.761 -2.362 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.622 -2.003 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.980 0.135 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.332 -0.367 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.699 -0.142 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.172 -0.869 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.963 1.616 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.475 1.946 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.395 2.182 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.423 0.898 6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.865 0.578 5.646 1.00 0.00 H new ATOM 828 N ARG A 62 8.265 -3.015 3.734 1.00 0.00 N ATOM 829 CA ARG A 62 7.426 -3.662 4.730 1.00 0.00 C ATOM 830 C ARG A 62 6.101 -4.106 4.122 1.00 0.00 C ATOM 831 O ARG A 62 5.452 -5.015 4.635 1.00 0.00 O ATOM 832 CB ARG A 62 7.172 -2.722 5.909 1.00 0.00 C ATOM 833 CG ARG A 62 8.441 -2.113 6.487 1.00 0.00 C ATOM 834 CD ARG A 62 8.733 -2.638 7.885 1.00 0.00 C ATOM 835 NE ARG A 62 10.088 -3.174 7.996 1.00 0.00 N ATOM 836 CZ ARG A 62 10.442 -4.386 7.575 1.00 0.00 C ATOM 837 NH1 ARG A 62 9.546 -5.190 7.017 1.00 0.00 N ATOM 838 NH2 ARG A 62 11.695 -4.795 7.714 1.00 0.00 N ATOM 0 H ARG A 62 8.372 -2.009 3.861 1.00 0.00 H new ATOM 0 HA ARG A 62 7.953 -4.546 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.508 -1.920 5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.652 -3.270 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.283 -2.336 5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.342 -1.028 6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.601 -1.834 8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.013 -3.417 8.138 1.00 0.00 H new ATOM 0 HE ARG A 62 10.804 -2.585 8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.580 -4.880 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.823 -6.118 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.387 -4.181 8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.967 -5.724 7.392 1.00 0.00 H new ATOM 852 N LEU A 63 5.705 -3.471 3.020 1.00 0.00 N ATOM 853 CA LEU A 63 4.459 -3.825 2.355 1.00 0.00 C ATOM 854 C LEU A 63 4.572 -5.215 1.750 1.00 0.00 C ATOM 855 O LEU A 63 3.793 -6.110 2.075 1.00 0.00 O ATOM 856 CB LEU A 63 4.108 -2.792 1.274 1.00 0.00 C ATOM 857 CG LEU A 63 2.793 -3.005 0.498 1.00 0.00 C ATOM 858 CD1 LEU A 63 1.917 -4.097 1.106 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.020 -1.699 0.427 1.00 0.00 C ATOM 0 H LEU A 63 6.226 -2.716 2.574 1.00 0.00 H new ATOM 0 HA LEU A 63 3.657 -3.827 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.067 -1.810 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.925 -2.766 0.553 1.00 0.00 H new ATOM 0 HG LEU A 63 3.063 -3.336 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.005 -4.202 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.460 -5.042 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.659 -3.828 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.092 -1.855 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.791 -1.356 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.622 -0.947 -0.084 1.00 0.00 H new ATOM 865 N SER A 64 5.559 -5.401 0.887 1.00 0.00 N ATOM 866 CA SER A 64 5.775 -6.697 0.264 1.00 0.00 C ATOM 867 C SER A 64 6.120 -7.727 1.332 1.00 0.00 C ATOM 868 O SER A 64 5.724 -8.890 1.249 1.00 0.00 O ATOM 869 CB SER A 64 6.901 -6.614 -0.770 1.00 0.00 C ATOM 870 OG SER A 64 8.152 -6.385 -0.145 1.00 0.00 O ATOM 0 H SER A 64 6.219 -4.676 0.604 1.00 0.00 H new ATOM 0 HA SER A 64 4.861 -7.000 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.942 -7.540 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.692 -5.811 -1.477 1.00 0.00 H new ATOM 0 HG SER A 64 8.854 -6.338 -0.827 1.00 0.00 H new ATOM 876 N ASP A 65 6.862 -7.278 2.341 1.00 0.00 N ATOM 877 CA ASP A 65 7.274 -8.143 3.438 1.00 0.00 C ATOM 878 C ASP A 65 6.091 -8.554 4.315 1.00 0.00 C ATOM 879 O ASP A 65 5.949 -9.729 4.657 1.00 0.00 O ATOM 880 CB ASP A 65 8.327 -7.437 4.295 1.00 0.00 C ATOM 881 CG ASP A 65 9.741 -7.747 3.845 1.00 0.00 C ATOM 882 OD1 ASP A 65 10.207 -7.115 2.874 1.00 0.00 O ATOM 883 OD2 ASP A 65 10.383 -8.621 4.465 1.00 0.00 O ATOM 0 H ASP A 65 7.190 -6.316 2.420 1.00 0.00 H new ATOM 0 HA ASP A 65 7.698 -9.047 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.163 -6.360 4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.206 -7.738 5.336 1.00 0.00 H new ATOM 888 N ASP A 66 5.250 -7.591 4.690 1.00 0.00 N ATOM 889 CA ASP A 66 4.099 -7.886 5.541 1.00 0.00 C ATOM 890 C ASP A 66 2.934 -8.444 4.734 1.00 0.00 C ATOM 891 O ASP A 66 2.291 -9.418 5.134 1.00 0.00 O ATOM 892 CB ASP A 66 3.656 -6.633 6.297 1.00 0.00 C ATOM 893 CG ASP A 66 4.504 -6.366 7.525 1.00 0.00 C ATOM 894 OD1 ASP A 66 4.872 -7.339 8.215 1.00 0.00 O ATOM 895 OD2 ASP A 66 4.798 -5.183 7.796 1.00 0.00 O ATOM 0 H ASP A 66 5.342 -6.611 4.422 1.00 0.00 H new ATOM 0 HA ASP A 66 4.409 -8.646 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.708 -5.773 5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.614 -6.742 6.596 1.00 0.00 H new ATOM 900 N ASP A 67 2.658 -7.819 3.597 1.00 0.00 N ATOM 901 CA ASP A 67 1.564 -8.245 2.744 1.00 0.00 C ATOM 902 C ASP A 67 1.859 -9.567 2.053 1.00 0.00 C ATOM 903 O ASP A 67 1.040 -10.054 1.273 1.00 0.00 O ATOM 904 CB ASP A 67 1.227 -7.174 1.719 1.00 0.00 C ATOM 905 CG ASP A 67 -0.268 -7.043 1.505 1.00 0.00 C ATOM 906 OD1 ASP A 67 -0.813 -7.772 0.650 1.00 0.00 O ATOM 907 OD2 ASP A 67 -0.895 -6.215 2.197 1.00 0.00 O ATOM 0 H ASP A 67 3.179 -7.015 3.247 1.00 0.00 H new ATOM 0 HA ASP A 67 0.698 -8.398 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.631 -6.217 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.709 -7.414 0.771 1.00 0.00 H new ATOM 912 N ARG A 68 3.006 -10.176 2.360 1.00 0.00 N ATOM 913 CA ARG A 68 3.342 -11.472 1.778 1.00 0.00 C ATOM 914 C ARG A 68 2.137 -12.401 1.904 1.00 0.00 C ATOM 915 O ARG A 68 1.951 -13.314 1.098 1.00 0.00 O ATOM 916 CB ARG A 68 4.561 -12.081 2.478 1.00 0.00 C ATOM 917 CG ARG A 68 5.749 -12.298 1.553 1.00 0.00 C ATOM 918 CD ARG A 68 7.013 -11.660 2.107 1.00 0.00 C ATOM 919 NE ARG A 68 8.175 -11.919 1.260 1.00 0.00 N ATOM 920 CZ ARG A 68 8.881 -13.047 1.291 1.00 0.00 C ATOM 921 NH1 ARG A 68 8.545 -14.026 2.122 1.00 0.00 N ATOM 922 NH2 ARG A 68 9.925 -13.197 0.488 1.00 0.00 N ATOM 0 H ARG A 68 3.706 -9.798 2.998 1.00 0.00 H new ATOM 0 HA ARG A 68 3.593 -11.339 0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.863 -11.428 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.276 -13.036 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.911 -13.367 1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.528 -11.878 0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.865 -10.584 2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.203 -12.043 3.110 1.00 0.00 H new ATOM 0 HE ARG A 68 8.463 -11.192 0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.742 -13.916 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.090 -14.888 2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.187 -12.448 -0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.466 -14.061 0.511 1.00 0.00 H new ATOM 936 N VAL A 69 1.306 -12.121 2.922 1.00 0.00 N ATOM 937 CA VAL A 69 0.079 -12.866 3.191 1.00 0.00 C ATOM 938 C VAL A 69 -0.449 -13.552 1.941 1.00 0.00 C ATOM 939 O VAL A 69 -0.549 -14.777 1.876 1.00 0.00 O ATOM 940 CB VAL A 69 -1.037 -11.928 3.715 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.395 -12.263 5.154 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.654 -10.459 3.584 1.00 0.00 C ATOM 0 H VAL A 69 1.475 -11.363 3.583 1.00 0.00 H new ATOM 0 HA VAL A 69 0.335 -13.613 3.942 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.916 -12.093 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.181 -11.591 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.748 -13.293 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.514 -12.146 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.465 -9.836 3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.251 -10.266 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.474 -10.222 2.535 1.00 0.00 H new ATOM 946 N THR A 70 -0.790 -12.736 0.957 1.00 0.00 N ATOM 947 CA THR A 70 -1.316 -13.231 -0.301 1.00 0.00 C ATOM 948 C THR A 70 -0.711 -12.466 -1.465 1.00 0.00 C ATOM 949 O THR A 70 0.163 -12.976 -2.167 1.00 0.00 O ATOM 950 CB THR A 70 -2.834 -13.115 -0.318 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.398 -13.762 0.808 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.466 -13.707 -1.557 1.00 0.00 C ATOM 0 H THR A 70 -0.710 -11.720 1.008 1.00 0.00 H new ATOM 0 HA THR A 70 -1.047 -14.282 -0.403 1.00 0.00 H new ATOM 0 HB THR A 70 -3.043 -12.045 -0.303 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.375 -13.689 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.548 -13.591 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.088 -13.192 -2.440 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.218 -14.766 -1.621 1.00 0.00 H new ATOM 957 N TRP A 71 -1.157 -11.231 -1.658 1.00 0.00 N ATOM 958 CA TRP A 71 -0.621 -10.404 -2.731 1.00 0.00 C ATOM 959 C TRP A 71 -0.696 -8.933 -2.389 1.00 0.00 C ATOM 960 O TRP A 71 -1.540 -8.498 -1.608 1.00 0.00 O ATOM 961 CB TRP A 71 -1.325 -10.682 -4.063 1.00 0.00 C ATOM 962 CG TRP A 71 -2.693 -10.080 -4.167 1.00 0.00 C ATOM 963 CD1 TRP A 71 -3.860 -10.660 -3.782 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.039 -8.790 -4.694 1.00 0.00 C ATOM 965 NE1 TRP A 71 -4.914 -9.820 -4.039 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.437 -8.665 -4.596 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.306 -7.729 -5.237 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.118 -7.527 -5.019 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -2.985 -6.597 -5.657 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.377 -6.505 -5.546 1.00 0.00 C ATOM 0 H TRP A 71 -1.879 -10.784 -1.093 1.00 0.00 H new ATOM 0 HA TRP A 71 0.430 -10.672 -2.843 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.708 -10.298 -4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.402 -11.760 -4.203 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.946 -11.641 -3.338 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.895 -10.024 -3.846 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.232 -7.791 -5.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.192 -7.454 -4.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.430 -5.771 -6.077 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.876 -5.609 -5.883 1.00 0.00 H new ATOM 981 N ALA A 72 0.211 -8.181 -2.986 1.00 0.00 N ATOM 982 CA ALA A 72 0.294 -6.755 -2.768 1.00 0.00 C ATOM 983 C ALA A 72 0.843 -6.054 -4.006 1.00 0.00 C ATOM 984 O ALA A 72 2.026 -6.174 -4.324 1.00 0.00 O ATOM 985 CB ALA A 72 1.161 -6.486 -1.553 1.00 0.00 C ATOM 0 H ALA A 72 0.909 -8.545 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.703 -6.356 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.227 -5.411 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.720 -6.965 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.160 -6.889 -1.722 1.00 0.00 H new ATOM 991 N GLU A 73 -0.025 -5.326 -4.703 1.00 0.00 N ATOM 992 CA GLU A 73 0.378 -4.612 -5.909 1.00 0.00 C ATOM 993 C GLU A 73 -0.002 -3.138 -5.824 1.00 0.00 C ATOM 994 O GLU A 73 -1.023 -2.783 -5.235 1.00 0.00 O ATOM 995 CB GLU A 73 -0.265 -5.247 -7.143 1.00 0.00 C ATOM 996 CG GLU A 73 0.569 -5.105 -8.405 1.00 0.00 C ATOM 997 CD GLU A 73 1.352 -6.362 -8.730 1.00 0.00 C ATOM 998 OE1 GLU A 73 2.125 -6.821 -7.863 1.00 0.00 O ATOM 999 OE2 GLU A 73 1.192 -6.888 -9.852 1.00 0.00 O ATOM 0 H GLU A 73 -1.008 -5.216 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 73 1.462 -4.683 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.437 -6.306 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.241 -4.791 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.085 -4.862 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.261 -4.271 -8.287 1.00 0.00 H new ATOM 1006 N GLN A 74 0.828 -2.287 -6.413 1.00 0.00 N ATOM 1007 CA GLN A 74 0.585 -0.849 -6.403 1.00 0.00 C ATOM 1008 C GLN A 74 -0.254 -0.427 -7.604 1.00 0.00 C ATOM 1009 O GLN A 74 -0.328 -1.138 -8.606 1.00 0.00 O ATOM 1010 CB GLN A 74 1.912 -0.087 -6.419 1.00 0.00 C ATOM 1011 CG GLN A 74 2.500 0.165 -5.039 1.00 0.00 C ATOM 1012 CD GLN A 74 3.835 -0.527 -4.837 1.00 0.00 C ATOM 1013 OE1 GLN A 74 4.889 0.036 -5.130 1.00 0.00 O ATOM 1014 NE2 GLN A 74 3.795 -1.756 -4.337 1.00 0.00 N ATOM 0 H GLN A 74 1.677 -2.567 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 74 0.038 -0.610 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.634 -0.648 -7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 74 1.763 0.870 -6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.625 1.238 -4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.798 -0.181 -4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.898 -2.185 -4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.661 -2.272 -4.182 1.00 0.00 H new ATOM 1021 N GLN A 75 -0.872 0.744 -7.498 1.00 0.00 N ATOM 1022 CA GLN A 75 -1.695 1.278 -8.574 1.00 0.00 C ATOM 1023 C GLN A 75 -1.284 2.713 -8.884 1.00 0.00 C ATOM 1024 O GLN A 75 -1.243 3.561 -7.991 1.00 0.00 O ATOM 1025 CB GLN A 75 -3.177 1.219 -8.199 1.00 0.00 C ATOM 1026 CG GLN A 75 -4.067 0.697 -9.315 1.00 0.00 C ATOM 1027 CD GLN A 75 -5.535 0.693 -8.936 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -6.168 1.746 -8.847 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -6.086 -0.494 -8.712 1.00 0.00 N ATOM 0 H GLN A 75 -0.817 1.343 -6.674 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.542 0.667 -9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.296 0.582 -7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.511 2.217 -7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.927 1.312 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.760 -0.316 -9.576 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.524 -1.341 -8.797 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.071 -0.559 -8.455 1.00 0.00 H new ATOM 1036 N TYR A 76 -0.965 2.972 -10.150 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.541 4.295 -10.584 1.00 0.00 C ATOM 1038 C TYR A 76 -1.577 4.922 -11.512 1.00 0.00 C ATOM 1039 O TYR A 76 -1.984 6.064 -11.309 1.00 99.99 O ATOM 1040 CB TYR A 76 0.807 4.200 -11.301 1.00 0.00 C ATOM 1041 CG TYR A 76 1.997 4.180 -10.368 1.00 0.00 C ATOM 1042 CD1 TYR A 76 1.990 3.416 -9.208 1.00 0.00 C ATOM 1043 CD2 TYR A 76 3.129 4.929 -10.650 1.00 0.00 C ATOM 1044 CE1 TYR A 76 3.079 3.402 -8.356 1.00 0.00 C ATOM 1045 CE2 TYR A 76 4.221 4.920 -9.807 1.00 0.00 C ATOM 1046 CZ TYR A 76 4.191 4.156 -8.661 1.00 0.00 C ATOM 1047 OH TYR A 76 5.278 4.144 -7.817 1.00 0.00 O ATOM 0 H TYR A 76 -0.993 2.276 -10.895 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.440 4.929 -9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.820 3.296 -11.911 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.906 5.045 -11.982 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.120 2.823 -8.968 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.156 5.531 -11.546 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.058 2.804 -7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.095 5.509 -10.044 1.00 0.00 H new ATOM 0 HH TYR A 76 6.055 4.523 -8.279 1.00 0.00 H new