USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 915 hydrogens (14 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 NoAdj-H: B 121 PTR HN2 : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD NoAdj-H: B 121 PTR H : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD Set 1.1: A 92 GLN :FLIP amide:sc= -0.518 F(o=-4.3!,f=0.72) USER MOD Set 1.2: A 96 TYR OH : rot -136:sc= 1.23 USER MOD Set 2.1: A 72 SER OG : rot 52:sc= -3.58! USER MOD Set 2.2: A 74 LYS NZ :NH3+ -171:sc= 0.232 (180deg=0) USER MOD Set 3.1: A 48 SER OG : rot 98:sc= -3.34! USER MOD Set 3.2: A 63 HIS :FLIP no HD1:sc= -7.95! C(o=-17!,f=-11!) USER MOD Set 4.1: A 4 ASN : amide:sc= -0.594 X(o=-2,f=-2.2) USER MOD Set 4.2: A 45 TYR OH : rot 90:sc= -1.37 USER MOD Set 5.1: A 44 THR OG1 : rot 56:sc= -2.11! USER MOD Set 5.2: A 65 HIS :FLIP no HD1:sc= -23.6! C(o=-27!,f=-26!) USER MOD Set 6.1: A 30 LYS NZ :NH3+ 163:sc= -3.37! (180deg=-4.55!) USER MOD Set 6.2: A 107 TYR OH : rot 110:sc= -0.924! USER MOD Set 7.1: A 5 ASN :FLIP amide:sc= -4.18! C(o=-12!,f=-7.4!) USER MOD Set 7.2: A 9 TYR OH : rot -4:sc= -3.22! USER MOD Single : A 8 THR OG1 : rot -27:sc= 0.444 USER MOD Single : A 12 TYR OH : rot -130:sc= -4.64! USER MOD Single : A 13 ASN :FLIP amide:sc= -9.18! C(o=-13!,f=-9.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 38:sc= 0.622! USER MOD Single : A 17 SER OG : rot 106:sc= -1.38! USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= -4.2! (180deg=-4.56!) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.0755 (180deg=-0.254) USER MOD Single : A 28 THR OG1 : rot 40:sc= -5.42! USER MOD Single : A 35 MET CE :methyl -150:sc= -25.2! (180deg=-30.7!) USER MOD Single : A 39 SER OG : rot 71:sc= -0.0173 USER MOD Single : A 41 THR OG1 : rot -63:sc= 0.129 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -9.03! C(o=-9!,f=-15!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0.0664 USER MOD Single : A 62 LYS NZ :NH3+ 140:sc= -5.98! (180deg=-10.2!) USER MOD Single : A 64 TYR OH : rot -52:sc= -11.6! USER MOD Single : A 67 LYS NZ :NH3+ -131:sc= -0.962 (180deg=-3.59!) USER MOD Single : A 69 THR OG1 : rot 100:sc= -1.18! USER MOD Single : A 70 ASN : amide:sc= -0.0848 K(o=-0.085,f=-1.8!) USER MOD Single : A 76 TYR OH : rot 67:sc= 1.21 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0464 USER MOD Single : A 81 LYS NZ :NH3+ 163:sc= -5.24! (180deg=-6.69!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 156:sc= -4.81! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -25.9! C(o=-26!,f=-27!) USER MOD Single : A 95 GLN :FLIP amide:sc= -7.83! C(o=-12!,f=-7.8!) USER MOD Single : A 97 ASN : amide:sc= -13.5! C(o=-14!,f=-14!) USER MOD Single : A 103 THR OG1 : rot -52:sc= 0.182 USER MOD Single : A 110 CYS SG : rot 154:sc= -12.1! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -2.086 15.563 6.304 1.00 0.00 C HETATM 2 O ACE A 3 -3.213 15.224 6.666 1.00 0.00 O HETATM 3 CH3 ACE A 3 -1.476 16.854 6.787 1.00 0.00 C HETATM 0 H1 ACE A 3 -0.553 16.641 7.326 1.00 0.00 H new HETATM 0 H2 ACE A 3 -1.258 17.495 5.933 1.00 0.00 H new HETATM 0 H3 ACE A 3 -2.176 17.361 7.452 1.00 0.00 H new ATOM 7 N ASN A 4 -1.340 14.834 5.480 1.00 0.00 N ATOM 8 CA ASN A 4 -1.815 13.565 4.941 1.00 0.00 C ATOM 9 C ASN A 4 -2.108 12.572 6.061 1.00 0.00 C ATOM 10 O ASN A 4 -2.808 11.581 5.859 1.00 0.00 O ATOM 11 CB ASN A 4 -0.781 12.977 3.980 1.00 0.00 C ATOM 12 CG ASN A 4 -0.132 14.036 3.110 1.00 0.00 C ATOM 13 OD1 ASN A 4 0.965 14.511 3.404 1.00 0.00 O ATOM 14 ND2 ASN A 4 -0.810 14.413 2.032 1.00 0.00 N ATOM 0 H ASN A 4 -0.405 15.100 5.171 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.741 13.754 4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.011 12.459 4.552 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.261 12.233 3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.424 15.123 1.409 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.716 13.992 1.827 1.00 0.00 H new ATOM 21 N ASN A 5 -1.563 12.847 7.243 1.00 0.00 N ATOM 22 CA ASN A 5 -1.763 11.981 8.401 1.00 0.00 C ATOM 23 C ASN A 5 -1.914 10.523 7.977 1.00 0.00 C ATOM 24 O ASN A 5 -2.542 9.728 8.674 1.00 0.00 O ATOM 25 CB ASN A 5 -3.000 12.422 9.186 1.00 0.00 C ATOM 26 CG ASN A 5 -4.181 12.732 8.286 1.00 0.00 C ATOM 27 OD1 ASN A 5 -4.458 11.840 7.341 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -4.838 13.763 8.438 1.00 0.00 N flip ATOM 0 H ASN A 5 -0.979 13.663 7.424 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.883 12.066 9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.279 11.637 9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.756 13.305 9.776 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.590 14.421 9.177 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.630 13.958 7.825 1.00 0.00 H new ATOM 35 N LEU A 6 -1.338 10.180 6.831 1.00 0.00 N ATOM 36 CA LEU A 6 -1.411 8.819 6.313 1.00 0.00 C ATOM 37 C LEU A 6 -0.436 7.901 7.044 1.00 0.00 C ATOM 38 O LEU A 6 -0.773 6.775 7.410 1.00 0.00 O ATOM 39 CB LEU A 6 -1.121 8.815 4.810 1.00 0.00 C ATOM 40 CG LEU A 6 -1.290 7.461 4.119 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.733 7.269 3.687 1.00 0.00 C ATOM 42 CD2 LEU A 6 -0.354 7.348 2.926 1.00 0.00 C ATOM 0 H LEU A 6 -0.814 10.827 6.242 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.419 8.441 6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.780 9.536 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.099 9.161 4.652 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.032 6.674 4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.840 6.302 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.383 7.306 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.013 8.061 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.489 6.378 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.579 8.139 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.678 7.446 3.263 1.00 0.00 H new ATOM 54 N GLU A 7 0.774 8.397 7.244 1.00 0.00 N ATOM 55 CA GLU A 7 1.823 7.646 7.925 1.00 0.00 C ATOM 56 C GLU A 7 1.402 7.271 9.342 1.00 0.00 C ATOM 57 O GLU A 7 2.015 6.410 9.972 1.00 0.00 O ATOM 58 CB GLU A 7 3.112 8.468 7.971 1.00 0.00 C ATOM 59 CG GLU A 7 3.105 9.664 7.036 1.00 0.00 C ATOM 60 CD GLU A 7 4.415 10.429 7.057 1.00 0.00 C ATOM 61 OE1 GLU A 7 5.135 10.347 8.076 1.00 0.00 O ATOM 62 OE2 GLU A 7 4.723 11.110 6.056 1.00 0.00 O ATOM 0 H GLU A 7 1.059 9.328 6.941 1.00 0.00 H new ATOM 0 HA GLU A 7 1.997 6.728 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.275 8.816 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.953 7.823 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.903 9.325 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.292 10.335 7.316 1.00 0.00 H new ATOM 69 N THR A 8 0.360 7.925 9.840 1.00 0.00 N ATOM 70 CA THR A 8 -0.132 7.661 11.186 1.00 0.00 C ATOM 71 C THR A 8 -1.163 6.538 11.191 1.00 0.00 C ATOM 72 O THR A 8 -1.660 6.146 12.246 1.00 0.00 O ATOM 73 CB THR A 8 -0.738 8.929 11.789 1.00 0.00 C ATOM 74 OG1 THR A 8 -1.064 8.730 13.153 1.00 0.00 O ATOM 75 CG2 THR A 8 -1.993 9.384 11.079 1.00 0.00 C ATOM 0 H THR A 8 -0.160 8.641 9.333 1.00 0.00 H new ATOM 0 HA THR A 8 0.716 7.345 11.793 1.00 0.00 H new ATOM 0 HB THR A 8 0.026 9.698 11.675 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.244 7.780 13.311 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.373 10.288 11.555 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.764 9.593 10.034 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.748 8.599 11.135 1.00 0.00 H new ATOM 83 N TYR A 9 -1.481 6.021 10.009 1.00 0.00 N ATOM 84 CA TYR A 9 -2.451 4.948 9.892 1.00 0.00 C ATOM 85 C TYR A 9 -1.793 3.595 10.118 1.00 0.00 C ATOM 86 O TYR A 9 -0.567 3.481 10.119 1.00 0.00 O ATOM 87 CB TYR A 9 -3.124 4.978 8.520 1.00 0.00 C ATOM 88 CG TYR A 9 -4.058 6.150 8.343 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.570 7.402 8.002 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.427 6.005 8.523 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.418 8.480 7.843 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.283 7.077 8.367 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.773 8.315 8.026 1.00 0.00 C ATOM 94 OH TYR A 9 -6.620 9.391 7.869 1.00 0.00 O ATOM 0 H TYR A 9 -1.080 6.329 9.123 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.210 5.098 10.660 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.357 5.013 7.747 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.681 4.052 8.375 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.508 7.536 7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.829 5.038 8.789 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.021 9.448 7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.346 6.949 8.511 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.094 10.199 7.694 1.00 0.00 H new ATOM 104 N GLU A 10 -2.614 2.573 10.313 1.00 0.00 N ATOM 105 CA GLU A 10 -2.114 1.228 10.547 1.00 0.00 C ATOM 106 C GLU A 10 -1.656 0.580 9.252 1.00 0.00 C ATOM 107 O GLU A 10 -1.718 -0.641 9.108 1.00 0.00 O ATOM 108 CB GLU A 10 -3.198 0.360 11.181 1.00 0.00 C ATOM 109 CG GLU A 10 -2.687 -0.987 11.661 1.00 0.00 C ATOM 110 CD GLU A 10 -1.886 -0.884 12.945 1.00 0.00 C ATOM 111 OE1 GLU A 10 -0.888 -0.133 12.964 1.00 0.00 O ATOM 112 OE2 GLU A 10 -2.257 -1.557 13.931 1.00 0.00 O ATOM 0 H GLU A 10 -3.631 2.651 10.314 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.263 1.307 11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.636 0.896 12.023 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.996 0.200 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.532 -1.657 11.817 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.066 -1.433 10.885 1.00 0.00 H new ATOM 119 N TRP A 11 -1.216 1.384 8.297 1.00 0.00 N ATOM 120 CA TRP A 11 -0.789 0.834 7.025 1.00 0.00 C ATOM 121 C TRP A 11 0.258 1.688 6.309 1.00 0.00 C ATOM 122 O TRP A 11 0.934 1.195 5.410 1.00 0.00 O ATOM 123 CB TRP A 11 -2.013 0.634 6.134 1.00 0.00 C ATOM 124 CG TRP A 11 -3.125 1.595 6.433 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.049 1.501 7.433 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.431 2.793 5.717 1.00 0.00 C ATOM 127 NE1 TRP A 11 -4.897 2.581 7.394 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.542 3.384 6.342 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.869 3.421 4.611 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.099 4.576 5.892 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.421 4.603 4.163 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.527 5.172 4.803 1.00 0.00 C ATOM 0 H TRP A 11 -1.147 2.399 8.377 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.303 -0.120 7.231 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.717 0.744 5.091 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.380 -0.385 6.255 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.105 0.695 8.150 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.665 2.756 8.042 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.014 2.990 4.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.953 5.015 6.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.992 5.097 3.304 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.936 6.099 4.430 1.00 0.00 H new ATOM 143 N TYR A 12 0.406 2.953 6.688 1.00 0.00 N ATOM 144 CA TYR A 12 1.388 3.801 6.029 1.00 0.00 C ATOM 145 C TYR A 12 2.768 3.640 6.642 1.00 0.00 C ATOM 146 O TYR A 12 3.008 4.018 7.789 1.00 0.00 O ATOM 147 CB TYR A 12 0.985 5.273 6.051 1.00 0.00 C ATOM 148 CG TYR A 12 1.872 6.123 5.162 1.00 0.00 C ATOM 149 CD1 TYR A 12 3.016 5.585 4.589 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.564 7.447 4.880 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.828 6.331 3.765 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.375 8.208 4.056 1.00 0.00 C ATOM 153 CZ TYR A 12 3.505 7.644 3.501 1.00 0.00 C ATOM 154 OH TYR A 12 4.313 8.395 2.678 1.00 0.00 O ATOM 0 H TYR A 12 -0.128 3.404 7.430 1.00 0.00 H new ATOM 0 HA TYR A 12 1.424 3.472 4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.051 5.369 5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.034 5.646 7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.275 4.557 4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.678 7.890 5.310 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.712 5.890 3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.124 9.238 3.849 1.00 0.00 H new ATOM 0 HH TYR A 12 4.524 9.247 3.115 1.00 0.00 H new ATOM 164 N ASN A 13 3.673 3.092 5.849 1.00 0.00 N ATOM 165 CA ASN A 13 5.048 2.884 6.263 1.00 0.00 C ATOM 166 C ASN A 13 5.948 3.905 5.572 1.00 0.00 C ATOM 167 O ASN A 13 5.777 4.190 4.387 1.00 0.00 O ATOM 168 CB ASN A 13 5.474 1.460 5.926 1.00 0.00 C ATOM 169 CG ASN A 13 5.917 0.685 7.152 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.149 -0.337 7.510 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 6.933 1.002 7.769 1.00 0.00 N flip ATOM 0 H ASN A 13 3.474 2.779 4.899 1.00 0.00 H new ATOM 0 HA ASN A 13 5.136 3.021 7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.644 0.938 5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.289 1.489 5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.493 1.796 7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.216 0.471 8.593 1.00 0.00 H new ATOM 178 N LYS A 14 6.884 4.476 6.321 1.00 0.00 N ATOM 179 CA LYS A 14 7.784 5.493 5.780 1.00 0.00 C ATOM 180 C LYS A 14 8.332 5.093 4.412 1.00 0.00 C ATOM 181 O LYS A 14 7.715 4.316 3.684 1.00 0.00 O ATOM 182 CB LYS A 14 8.943 5.738 6.749 1.00 0.00 C ATOM 183 CG LYS A 14 9.177 7.207 7.056 1.00 0.00 C ATOM 184 CD LYS A 14 9.286 8.033 5.784 1.00 0.00 C ATOM 185 CE LYS A 14 10.731 8.182 5.341 1.00 0.00 C ATOM 186 NZ LYS A 14 11.264 9.543 5.630 1.00 0.00 N ATOM 0 H LYS A 14 7.041 4.254 7.304 1.00 0.00 H new ATOM 0 HA LYS A 14 7.208 6.410 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.745 5.207 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.854 5.314 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.359 7.586 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.090 7.316 7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.708 7.560 4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.852 9.019 5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.345 7.437 5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.805 7.983 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.253 9.603 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.695 10.253 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.217 9.724 6.653 1.00 0.00 H new ATOM 200 N SER A 15 9.493 5.642 4.065 1.00 0.00 N ATOM 201 CA SER A 15 10.128 5.360 2.780 1.00 0.00 C ATOM 202 C SER A 15 10.320 3.864 2.577 1.00 0.00 C ATOM 203 O SER A 15 10.861 3.427 1.562 1.00 0.00 O ATOM 204 CB SER A 15 11.477 6.074 2.690 1.00 0.00 C ATOM 205 OG SER A 15 12.497 5.186 2.263 1.00 0.00 O ATOM 0 H SER A 15 10.015 6.287 4.658 1.00 0.00 H new ATOM 0 HA SER A 15 9.471 5.730 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.404 6.910 1.994 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.737 6.491 3.663 1.00 0.00 H new ATOM 0 HG SER A 15 12.137 4.575 1.587 1.00 0.00 H new ATOM 211 N ILE A 16 9.870 3.081 3.548 1.00 0.00 N ATOM 212 CA ILE A 16 9.988 1.635 3.483 1.00 0.00 C ATOM 213 C ILE A 16 9.937 1.134 2.041 1.00 0.00 C ATOM 214 O ILE A 16 10.870 0.482 1.569 1.00 0.00 O ATOM 215 CB ILE A 16 8.874 0.962 4.302 1.00 0.00 C ATOM 216 CG1 ILE A 16 7.684 0.603 3.410 1.00 0.00 C ATOM 217 CG2 ILE A 16 8.433 1.875 5.436 1.00 0.00 C ATOM 218 CD1 ILE A 16 6.685 -0.319 4.077 1.00 0.00 C ATOM 0 H ILE A 16 9.418 3.428 4.394 1.00 0.00 H new ATOM 0 HA ILE A 16 10.957 1.369 3.906 1.00 0.00 H new ATOM 0 HB ILE A 16 9.268 0.039 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.176 1.519 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.052 0.129 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.644 1.388 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.282 2.080 6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.057 2.811 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.868 -0.531 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.178 -1.251 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.288 0.161 4.972 1.00 0.00 H new ATOM 230 N SER A 17 8.843 1.434 1.348 1.00 0.00 N ATOM 231 CA SER A 17 8.670 1.007 -0.030 1.00 0.00 C ATOM 232 C SER A 17 7.751 -0.204 -0.095 1.00 0.00 C ATOM 233 O SER A 17 7.603 -0.932 0.888 1.00 0.00 O ATOM 234 CB SER A 17 10.022 0.675 -0.662 1.00 0.00 C ATOM 235 OG SER A 17 11.008 1.619 -0.284 1.00 0.00 O ATOM 0 H SER A 17 8.062 1.973 1.723 1.00 0.00 H new ATOM 0 HA SER A 17 8.216 1.825 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.334 -0.324 -0.356 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.926 0.660 -1.748 1.00 0.00 H new ATOM 0 HG SER A 17 11.617 1.213 0.368 1.00 0.00 H new ATOM 241 N ARG A 18 7.141 -0.423 -1.251 1.00 0.00 N ATOM 242 CA ARG A 18 6.247 -1.555 -1.424 1.00 0.00 C ATOM 243 C ARG A 18 6.988 -2.845 -1.116 1.00 0.00 C ATOM 244 O ARG A 18 6.380 -3.855 -0.753 1.00 0.00 O ATOM 245 CB ARG A 18 5.693 -1.593 -2.848 1.00 0.00 C ATOM 246 CG ARG A 18 5.863 -0.285 -3.600 1.00 0.00 C ATOM 247 CD ARG A 18 7.072 -0.323 -4.518 1.00 0.00 C ATOM 248 NE ARG A 18 8.319 -0.495 -3.779 1.00 0.00 N ATOM 249 CZ ARG A 18 9.489 -0.016 -4.188 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.569 0.662 -5.325 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.579 -0.213 -3.461 1.00 0.00 N ATOM 0 H ARG A 18 7.249 0.165 -2.077 1.00 0.00 H new ATOM 0 HA ARG A 18 5.410 -1.448 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.191 -2.389 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.633 -1.846 -2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.967 -0.082 -4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.971 0.534 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.959 -1.139 -5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.118 0.601 -5.095 1.00 0.00 H new ATOM 0 HE ARG A 18 8.291 -1.012 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.732 0.816 -5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.468 1.029 -5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.521 -0.733 -2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.476 0.156 -3.777 1.00 0.00 H new ATOM 265 N ASP A 19 8.311 -2.799 -1.240 1.00 0.00 N ATOM 266 CA ASP A 19 9.132 -3.964 -0.953 1.00 0.00 C ATOM 267 C ASP A 19 9.020 -4.296 0.521 1.00 0.00 C ATOM 268 O ASP A 19 8.893 -5.459 0.913 1.00 0.00 O ATOM 269 CB ASP A 19 10.592 -3.705 -1.329 1.00 0.00 C ATOM 270 CG ASP A 19 10.726 -2.899 -2.606 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.909 -3.106 -3.527 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.648 -2.061 -2.685 1.00 0.00 O ATOM 0 H ASP A 19 8.832 -1.973 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 19 8.778 -4.807 -1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.085 -3.175 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.108 -4.658 -1.448 1.00 0.00 H new ATOM 277 N LYS A 20 9.011 -3.249 1.331 1.00 0.00 N ATOM 278 CA LYS A 20 8.860 -3.410 2.761 1.00 0.00 C ATOM 279 C LYS A 20 7.437 -3.838 3.041 1.00 0.00 C ATOM 280 O LYS A 20 7.197 -4.849 3.698 1.00 0.00 O ATOM 281 CB LYS A 20 9.183 -2.108 3.495 1.00 0.00 C ATOM 282 CG LYS A 20 10.626 -1.660 3.336 1.00 0.00 C ATOM 283 CD LYS A 20 11.449 -1.987 4.572 1.00 0.00 C ATOM 284 CE LYS A 20 10.870 -3.172 5.328 1.00 0.00 C ATOM 285 NZ LYS A 20 11.875 -3.797 6.233 1.00 0.00 N ATOM 0 H LYS A 20 9.107 -2.282 1.020 1.00 0.00 H new ATOM 0 HA LYS A 20 9.557 -4.167 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.525 -1.321 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.966 -2.235 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.066 -2.147 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.657 -0.586 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.476 -2.207 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.484 -1.117 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.009 -2.845 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.509 -3.915 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.401 -4.475 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.591 -4.294 5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.336 -3.059 6.802 1.00 0.00 H new ATOM 299 N ALA A 21 6.496 -3.082 2.489 1.00 0.00 N ATOM 300 CA ALA A 21 5.090 -3.405 2.639 1.00 0.00 C ATOM 301 C ALA A 21 4.893 -4.862 2.268 1.00 0.00 C ATOM 302 O ALA A 21 4.326 -5.653 3.031 1.00 0.00 O ATOM 303 CB ALA A 21 4.240 -2.505 1.756 1.00 0.00 C ATOM 0 H ALA A 21 6.684 -2.245 1.936 1.00 0.00 H new ATOM 0 HA ALA A 21 4.778 -3.242 3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.188 -2.761 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.396 -1.464 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.526 -2.644 0.713 1.00 0.00 H new ATOM 309 N GLU A 22 5.423 -5.224 1.106 1.00 0.00 N ATOM 310 CA GLU A 22 5.354 -6.594 0.647 1.00 0.00 C ATOM 311 C GLU A 22 6.116 -7.475 1.615 1.00 0.00 C ATOM 312 O GLU A 22 5.631 -8.523 2.037 1.00 0.00 O ATOM 313 CB GLU A 22 5.934 -6.725 -0.762 1.00 0.00 C ATOM 314 CG GLU A 22 5.054 -7.523 -1.710 1.00 0.00 C ATOM 315 CD GLU A 22 5.685 -7.703 -3.078 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.494 -8.640 -3.239 1.00 0.00 O ATOM 317 OE2 GLU A 22 5.367 -6.906 -3.987 1.00 0.00 O ATOM 0 H GLU A 22 5.902 -4.586 0.471 1.00 0.00 H new ATOM 0 HA GLU A 22 4.311 -6.908 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.090 -5.729 -1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.913 -7.201 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.852 -8.502 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.094 -7.019 -1.820 1.00 0.00 H new ATOM 324 N LYS A 23 7.308 -7.020 1.984 1.00 0.00 N ATOM 325 CA LYS A 23 8.145 -7.754 2.918 1.00 0.00 C ATOM 326 C LYS A 23 7.369 -8.070 4.183 1.00 0.00 C ATOM 327 O LYS A 23 7.299 -9.223 4.607 1.00 0.00 O ATOM 328 CB LYS A 23 9.400 -6.946 3.251 1.00 0.00 C ATOM 329 CG LYS A 23 9.985 -7.259 4.618 1.00 0.00 C ATOM 330 CD LYS A 23 11.119 -6.309 4.965 1.00 0.00 C ATOM 331 CE LYS A 23 11.627 -5.574 3.733 1.00 0.00 C ATOM 332 NZ LYS A 23 12.595 -6.397 2.956 1.00 0.00 N ATOM 0 H LYS A 23 7.714 -6.146 1.649 1.00 0.00 H new ATOM 0 HA LYS A 23 8.448 -8.692 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.156 -7.137 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.160 -5.884 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.204 -7.188 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.351 -8.286 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.776 -5.586 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.937 -6.868 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.784 -5.307 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.104 -4.642 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.672 -6.022 1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.527 -6.363 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.263 -7.382 2.920 1.00 0.00 H new ATOM 346 N LEU A 24 6.760 -7.050 4.769 1.00 0.00 N ATOM 347 CA LEU A 24 5.960 -7.255 5.970 1.00 0.00 C ATOM 348 C LEU A 24 4.710 -8.045 5.613 1.00 0.00 C ATOM 349 O LEU A 24 4.264 -8.905 6.372 1.00 0.00 O ATOM 350 CB LEU A 24 5.551 -5.942 6.652 1.00 0.00 C ATOM 351 CG LEU A 24 6.366 -4.694 6.304 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.815 -5.046 6.002 1.00 0.00 C ATOM 353 CD2 LEU A 24 5.717 -3.956 5.143 1.00 0.00 C ATOM 0 H LEU A 24 6.802 -6.085 4.440 1.00 0.00 H new ATOM 0 HA LEU A 24 6.581 -7.804 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.507 -5.744 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.603 -6.090 7.731 1.00 0.00 H new ATOM 0 HG LEU A 24 6.374 -4.032 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.367 -4.138 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.264 -5.520 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.854 -5.732 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.303 -3.069 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.676 -4.611 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.706 -3.658 5.421 1.00 0.00 H new ATOM 365 N LEU A 25 4.141 -7.735 4.448 1.00 0.00 N ATOM 366 CA LEU A 25 2.933 -8.403 3.988 1.00 0.00 C ATOM 367 C LEU A 25 3.146 -9.902 3.820 1.00 0.00 C ATOM 368 O LEU A 25 2.372 -10.705 4.341 1.00 0.00 O ATOM 369 CB LEU A 25 2.453 -7.780 2.680 1.00 0.00 C ATOM 370 CG LEU A 25 1.822 -6.394 2.821 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.328 -5.890 1.475 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.688 -6.425 3.832 1.00 0.00 C ATOM 0 H LEU A 25 4.500 -7.026 3.809 1.00 0.00 H new ATOM 0 HA LEU A 25 2.166 -8.266 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.299 -7.710 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.726 -8.449 2.221 1.00 0.00 H new ATOM 0 HG LEU A 25 2.585 -5.705 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.883 -4.903 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.166 -5.827 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.581 -6.579 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.251 -5.430 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.075 -7.129 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.074 -6.738 4.802 1.00 0.00 H new ATOM 384 N LEU A 26 4.193 -10.281 3.100 1.00 0.00 N ATOM 385 CA LEU A 26 4.480 -11.699 2.890 1.00 0.00 C ATOM 386 C LEU A 26 4.832 -12.366 4.207 1.00 0.00 C ATOM 387 O LEU A 26 4.287 -13.414 4.556 1.00 0.00 O ATOM 388 CB LEU A 26 5.614 -11.914 1.881 1.00 0.00 C ATOM 389 CG LEU A 26 6.303 -10.649 1.379 1.00 0.00 C ATOM 390 CD1 LEU A 26 7.683 -10.976 0.831 1.00 0.00 C ATOM 391 CD2 LEU A 26 5.451 -9.968 0.318 1.00 0.00 C ATOM 0 H LEU A 26 4.851 -9.640 2.656 1.00 0.00 H new ATOM 0 HA LEU A 26 3.578 -12.153 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.365 -12.557 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.214 -12.453 1.022 1.00 0.00 H new ATOM 0 HG LEU A 26 6.423 -9.962 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.160 -10.062 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.291 -11.421 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.589 -11.679 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.956 -9.067 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.302 -10.648 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.484 -9.701 0.744 1.00 0.00 H new ATOM 403 N ASP A 27 5.740 -11.741 4.940 1.00 0.00 N ATOM 404 CA ASP A 27 6.165 -12.258 6.233 1.00 0.00 C ATOM 405 C ASP A 27 4.979 -12.339 7.183 1.00 0.00 C ATOM 406 O ASP A 27 4.883 -13.248 8.005 1.00 0.00 O ATOM 407 CB ASP A 27 7.258 -11.370 6.832 1.00 0.00 C ATOM 408 CG ASP A 27 6.993 -11.028 8.285 1.00 0.00 C ATOM 409 OD1 ASP A 27 7.160 -11.919 9.144 1.00 0.00 O ATOM 410 OD2 ASP A 27 6.619 -9.870 8.562 1.00 0.00 O ATOM 0 H ASP A 27 6.198 -10.873 4.662 1.00 0.00 H new ATOM 0 HA ASP A 27 6.570 -13.259 6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.219 -11.877 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.333 -10.450 6.253 1.00 0.00 H new ATOM 415 N THR A 28 4.072 -11.381 7.050 1.00 0.00 N ATOM 416 CA THR A 28 2.882 -11.329 7.879 1.00 0.00 C ATOM 417 C THR A 28 1.895 -12.412 7.468 1.00 0.00 C ATOM 418 O THR A 28 1.324 -13.106 8.310 1.00 0.00 O ATOM 419 CB THR A 28 2.221 -9.953 7.782 1.00 0.00 C ATOM 420 OG1 THR A 28 2.173 -9.514 6.437 1.00 0.00 O ATOM 421 CG2 THR A 28 2.933 -8.888 8.588 1.00 0.00 C ATOM 0 H THR A 28 4.142 -10.625 6.369 1.00 0.00 H new ATOM 0 HA THR A 28 3.180 -11.503 8.913 1.00 0.00 H new ATOM 0 HB THR A 28 1.219 -10.085 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.957 -10.271 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.412 -7.937 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.943 -9.174 9.640 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.958 -8.785 8.230 1.00 0.00 H new ATOM 429 N GLY A 29 1.708 -12.551 6.165 1.00 0.00 N ATOM 430 CA GLY A 29 0.794 -13.554 5.647 1.00 0.00 C ATOM 431 C GLY A 29 -0.618 -13.381 6.166 1.00 0.00 C ATOM 432 O GLY A 29 -1.307 -14.362 6.446 1.00 0.00 O ATOM 0 H GLY A 29 2.173 -11.987 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.785 -13.504 4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.157 -14.545 5.918 1.00 0.00 H new ATOM 436 N LYS A 30 -1.053 -12.132 6.293 1.00 0.00 N ATOM 437 CA LYS A 30 -2.397 -11.837 6.779 1.00 0.00 C ATOM 438 C LYS A 30 -3.303 -11.408 5.638 1.00 0.00 C ATOM 439 O LYS A 30 -3.061 -10.382 5.001 1.00 0.00 O ATOM 440 CB LYS A 30 -2.361 -10.725 7.824 1.00 0.00 C ATOM 441 CG LYS A 30 -0.963 -10.393 8.322 1.00 0.00 C ATOM 442 CD LYS A 30 -0.754 -10.863 9.752 1.00 0.00 C ATOM 443 CE LYS A 30 0.423 -10.158 10.406 1.00 0.00 C ATOM 444 NZ LYS A 30 0.239 -8.681 10.439 1.00 0.00 N ATOM 0 H LYS A 30 -0.496 -11.308 6.067 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.789 -12.749 7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.808 -9.826 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.979 -11.018 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.224 -10.861 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.801 -9.317 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.658 -10.678 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.585 -11.940 9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.550 -10.531 11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.337 -10.398 9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.897 -8.265 11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.430 -8.286 9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.739 -8.459 10.716 1.00 0.00 H new ATOM 458 N GLU A 31 -4.357 -12.173 5.391 1.00 0.00 N ATOM 459 CA GLU A 31 -5.287 -11.822 4.333 1.00 0.00 C ATOM 460 C GLU A 31 -5.778 -10.399 4.556 1.00 0.00 C ATOM 461 O GLU A 31 -6.298 -10.079 5.625 1.00 0.00 O ATOM 462 CB GLU A 31 -6.471 -12.790 4.316 1.00 0.00 C ATOM 463 CG GLU A 31 -7.387 -12.611 3.116 1.00 0.00 C ATOM 464 CD GLU A 31 -8.153 -13.874 2.775 1.00 0.00 C ATOM 465 OE1 GLU A 31 -8.354 -14.710 3.680 1.00 0.00 O ATOM 466 OE2 GLU A 31 -8.552 -14.025 1.600 1.00 0.00 O ATOM 0 H GLU A 31 -4.585 -13.027 5.901 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.779 -11.889 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.094 -13.813 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.052 -12.657 5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.093 -11.806 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.795 -12.305 2.254 1.00 0.00 H new ATOM 473 N GLY A 32 -5.603 -9.538 3.561 1.00 0.00 N ATOM 474 CA GLY A 32 -6.029 -8.172 3.712 1.00 0.00 C ATOM 475 C GLY A 32 -4.999 -7.328 4.418 1.00 0.00 C ATOM 476 O GLY A 32 -5.281 -6.186 4.782 1.00 0.00 O ATOM 0 H GLY A 32 -5.177 -9.764 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.233 -7.746 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.964 -8.145 4.272 1.00 0.00 H new ATOM 480 N ALA A 33 -3.796 -7.865 4.618 1.00 0.00 N ATOM 481 CA ALA A 33 -2.772 -7.082 5.294 1.00 0.00 C ATOM 482 C ALA A 33 -2.211 -6.056 4.330 1.00 0.00 C ATOM 483 O ALA A 33 -1.621 -6.409 3.311 1.00 0.00 O ATOM 484 CB ALA A 33 -1.668 -7.991 5.816 1.00 0.00 C ATOM 0 H ALA A 33 -3.516 -8.803 4.333 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.213 -6.566 6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.910 -7.391 6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.090 -8.708 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.213 -8.526 4.983 1.00 0.00 H new ATOM 490 N PHE A 34 -2.408 -4.781 4.639 1.00 0.00 N ATOM 491 CA PHE A 34 -1.927 -3.727 3.768 1.00 0.00 C ATOM 492 C PHE A 34 -1.066 -2.687 4.462 1.00 0.00 C ATOM 493 O PHE A 34 -1.049 -2.565 5.686 1.00 0.00 O ATOM 494 CB PHE A 34 -3.087 -3.051 3.049 1.00 0.00 C ATOM 495 CG PHE A 34 -4.159 -2.540 3.959 1.00 0.00 C ATOM 496 CD1 PHE A 34 -3.857 -1.717 5.031 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.476 -2.867 3.724 1.00 0.00 C ATOM 498 CE1 PHE A 34 -4.855 -1.231 5.851 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.476 -2.390 4.539 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.169 -1.569 5.604 1.00 0.00 C ATOM 0 H PHE A 34 -2.892 -4.458 5.477 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.278 -4.222 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.700 -2.220 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.528 -3.760 2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.829 -1.452 5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.727 -3.506 2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.608 -0.588 6.683 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.504 -2.659 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.955 -1.192 6.242 1.00 0.00 H new ATOM 510 N MET A 35 -0.394 -1.908 3.628 1.00 0.00 N ATOM 511 CA MET A 35 0.450 -0.810 4.069 1.00 0.00 C ATOM 512 C MET A 35 0.455 0.257 2.978 1.00 0.00 C ATOM 513 O MET A 35 0.019 -0.006 1.862 1.00 0.00 O ATOM 514 CB MET A 35 1.869 -1.292 4.359 1.00 0.00 C ATOM 515 CG MET A 35 2.106 -2.747 3.984 1.00 0.00 C ATOM 516 SD MET A 35 1.337 -3.896 5.140 1.00 0.00 S ATOM 517 CE MET A 35 2.721 -4.964 5.519 1.00 0.00 C ATOM 0 H MET A 35 -0.420 -2.022 2.615 1.00 0.00 H new ATOM 0 HA MET A 35 0.056 -0.394 4.996 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.575 -0.665 3.814 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.079 -1.160 5.420 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.715 -2.929 2.983 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.178 -2.938 3.947 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.356 -5.965 5.750 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.390 -5.011 4.660 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.262 -4.568 6.378 1.00 0.00 H new ATOM 527 N VAL A 36 0.929 1.454 3.284 1.00 0.00 N ATOM 528 CA VAL A 36 0.953 2.516 2.292 1.00 0.00 C ATOM 529 C VAL A 36 2.244 3.309 2.382 1.00 0.00 C ATOM 530 O VAL A 36 2.603 3.792 3.447 1.00 0.00 O ATOM 531 CB VAL A 36 -0.254 3.461 2.446 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.547 2.706 2.172 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.277 4.088 3.833 1.00 0.00 C ATOM 0 H VAL A 36 1.298 1.713 4.199 1.00 0.00 H new ATOM 0 HA VAL A 36 0.894 2.044 1.311 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.160 4.266 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.394 3.383 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.529 2.311 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.645 1.883 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.138 4.751 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.348 3.303 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.638 4.659 3.989 1.00 0.00 H new ATOM 543 N ARG A 37 2.948 3.424 1.264 1.00 0.00 N ATOM 544 CA ARG A 37 4.204 4.148 1.235 1.00 0.00 C ATOM 545 C ARG A 37 4.184 5.266 0.199 1.00 0.00 C ATOM 546 O ARG A 37 3.449 5.202 -0.789 1.00 0.00 O ATOM 547 CB ARG A 37 5.362 3.193 0.947 1.00 0.00 C ATOM 548 CG ARG A 37 6.638 3.895 0.513 1.00 0.00 C ATOM 549 CD ARG A 37 6.808 3.858 -0.998 1.00 0.00 C ATOM 550 NE ARG A 37 7.788 4.834 -1.467 1.00 0.00 N ATOM 551 CZ ARG A 37 9.065 4.839 -1.093 1.00 0.00 C ATOM 552 NH1 ARG A 37 9.519 3.921 -0.252 1.00 0.00 N ATOM 553 NH2 ARG A 37 9.890 5.765 -1.565 1.00 0.00 N ATOM 0 H ARG A 37 2.668 3.025 0.368 1.00 0.00 H new ATOM 0 HA ARG A 37 4.345 4.600 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.567 2.605 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.059 2.493 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.618 4.931 0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.496 3.420 0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.119 2.859 -1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.847 4.052 -1.475 1.00 0.00 H new ATOM 0 HE ARG A 37 7.475 5.553 -2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.889 3.206 0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.499 3.929 0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.545 6.472 -2.214 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.869 5.770 -1.279 1.00 0.00 H new ATOM 567 N ASP A 38 5.010 6.283 0.428 1.00 0.00 N ATOM 568 CA ASP A 38 5.109 7.414 -0.488 1.00 0.00 C ATOM 569 C ASP A 38 6.123 7.115 -1.589 1.00 0.00 C ATOM 570 O ASP A 38 7.328 7.064 -1.340 1.00 0.00 O ATOM 571 CB ASP A 38 5.513 8.680 0.269 1.00 0.00 C ATOM 572 CG ASP A 38 6.039 9.762 -0.654 1.00 0.00 C ATOM 573 OD1 ASP A 38 7.139 9.579 -1.217 1.00 0.00 O ATOM 574 OD2 ASP A 38 5.351 10.792 -0.815 1.00 0.00 O ATOM 0 H ASP A 38 5.621 6.347 1.242 1.00 0.00 H new ATOM 0 HA ASP A 38 4.132 7.577 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.653 9.062 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.277 8.431 1.006 1.00 0.00 H new ATOM 579 N SER A 39 5.626 6.904 -2.802 1.00 0.00 N ATOM 580 CA SER A 39 6.483 6.593 -3.944 1.00 0.00 C ATOM 581 C SER A 39 7.576 7.643 -4.139 1.00 0.00 C ATOM 582 O SER A 39 7.370 8.827 -3.872 1.00 0.00 O ATOM 583 CB SER A 39 5.643 6.481 -5.218 1.00 0.00 C ATOM 584 OG SER A 39 6.462 6.247 -6.351 1.00 0.00 O ATOM 0 H SER A 39 4.631 6.942 -3.022 1.00 0.00 H new ATOM 0 HA SER A 39 6.968 5.639 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.923 5.670 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.071 7.398 -5.362 1.00 0.00 H new ATOM 0 HG SER A 39 6.824 5.337 -6.310 1.00 0.00 H new ATOM 590 N ARG A 40 8.736 7.195 -4.618 1.00 0.00 N ATOM 591 CA ARG A 40 9.866 8.082 -4.870 1.00 0.00 C ATOM 592 C ARG A 40 9.373 9.410 -5.417 1.00 0.00 C ATOM 593 O ARG A 40 10.029 10.442 -5.270 1.00 0.00 O ATOM 594 CB ARG A 40 10.843 7.439 -5.857 1.00 0.00 C ATOM 595 CG ARG A 40 11.753 6.399 -5.221 1.00 0.00 C ATOM 596 CD ARG A 40 12.658 5.746 -6.254 1.00 0.00 C ATOM 597 NE ARG A 40 14.045 5.678 -5.801 1.00 0.00 N ATOM 598 CZ ARG A 40 14.784 6.749 -5.535 1.00 0.00 C ATOM 599 NH1 ARG A 40 14.269 7.965 -5.673 1.00 0.00 N ATOM 600 NH2 ARG A 40 16.037 6.608 -5.127 1.00 0.00 N ATOM 0 H ARG A 40 8.916 6.216 -4.840 1.00 0.00 H new ATOM 0 HA ARG A 40 10.387 8.256 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.277 6.971 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.456 8.219 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 40 12.361 6.869 -4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.149 5.636 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.297 4.740 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.608 6.308 -7.187 1.00 0.00 H new ATOM 0 HE ARG A 40 14.469 4.758 -5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.304 8.078 -5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.838 8.786 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.436 5.676 -5.017 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.603 7.432 -4.923 1.00 0.00 H new ATOM 614 N THR A 41 8.195 9.374 -6.026 1.00 0.00 N ATOM 615 CA THR A 41 7.575 10.563 -6.574 1.00 0.00 C ATOM 616 C THR A 41 6.512 11.066 -5.606 1.00 0.00 C ATOM 617 O THR A 41 5.332 11.148 -5.947 1.00 0.00 O ATOM 618 CB THR A 41 6.952 10.262 -7.937 1.00 0.00 C ATOM 619 OG1 THR A 41 6.469 11.449 -8.542 1.00 0.00 O ATOM 620 CG2 THR A 41 5.802 9.280 -7.868 1.00 0.00 C ATOM 0 H THR A 41 7.648 8.522 -6.151 1.00 0.00 H new ATOM 0 HA THR A 41 8.334 11.333 -6.711 1.00 0.00 H new ATOM 0 HB THR A 41 7.753 9.816 -8.527 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.757 11.832 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.407 9.112 -8.870 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.154 8.336 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.016 9.685 -7.231 1.00 0.00 H new ATOM 628 N PRO A 42 6.929 11.386 -4.372 1.00 0.00 N ATOM 629 CA PRO A 42 6.041 11.861 -3.315 1.00 0.00 C ATOM 630 C PRO A 42 4.888 12.713 -3.825 1.00 0.00 C ATOM 631 O PRO A 42 4.814 13.914 -3.563 1.00 0.00 O ATOM 632 CB PRO A 42 6.992 12.664 -2.441 1.00 0.00 C ATOM 633 CG PRO A 42 8.264 11.888 -2.510 1.00 0.00 C ATOM 634 CD PRO A 42 8.321 11.296 -3.896 1.00 0.00 C ATOM 0 HA PRO A 42 5.533 11.047 -2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.120 13.680 -2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.626 12.745 -1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.124 12.533 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.284 11.106 -1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.001 11.852 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.672 10.264 -3.877 1.00 0.00 H new ATOM 642 N GLY A 43 3.977 12.059 -4.529 1.00 0.00 N ATOM 643 CA GLY A 43 2.803 12.720 -5.055 1.00 0.00 C ATOM 644 C GLY A 43 1.564 11.929 -4.708 1.00 0.00 C ATOM 645 O GLY A 43 0.527 12.487 -4.350 1.00 0.00 O ATOM 0 H GLY A 43 4.033 11.064 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.728 13.727 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.888 12.822 -6.137 1.00 0.00 H new ATOM 649 N THR A 44 1.698 10.609 -4.798 1.00 0.00 N ATOM 650 CA THR A 44 0.628 9.692 -4.481 1.00 0.00 C ATOM 651 C THR A 44 1.106 8.682 -3.444 1.00 0.00 C ATOM 652 O THR A 44 2.308 8.483 -3.272 1.00 0.00 O ATOM 653 CB THR A 44 0.165 8.973 -5.743 1.00 0.00 C ATOM 654 OG1 THR A 44 -0.161 7.623 -5.466 1.00 0.00 O ATOM 655 CG2 THR A 44 1.201 8.980 -6.847 1.00 0.00 C ATOM 0 H THR A 44 2.560 10.151 -5.095 1.00 0.00 H new ATOM 0 HA THR A 44 -0.213 10.251 -4.070 1.00 0.00 H new ATOM 0 HB THR A 44 -0.711 9.525 -6.083 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.838 7.589 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.809 8.452 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.434 10.009 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.107 8.484 -6.499 1.00 0.00 H new ATOM 663 N TYR A 45 0.169 8.047 -2.754 1.00 0.00 N ATOM 664 CA TYR A 45 0.517 7.061 -1.741 1.00 0.00 C ATOM 665 C TYR A 45 0.346 5.652 -2.291 1.00 0.00 C ATOM 666 O TYR A 45 -0.631 5.358 -2.972 1.00 0.00 O ATOM 667 CB TYR A 45 -0.349 7.249 -0.493 1.00 0.00 C ATOM 668 CG TYR A 45 0.101 8.394 0.388 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.393 8.437 0.896 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.766 9.428 0.709 1.00 0.00 C ATOM 671 CE1 TYR A 45 1.807 9.481 1.702 1.00 0.00 C ATOM 672 CE2 TYR A 45 -0.360 10.476 1.514 1.00 0.00 C ATOM 673 CZ TYR A 45 0.927 10.498 2.007 1.00 0.00 C ATOM 674 OH TYR A 45 1.337 11.539 2.809 1.00 0.00 O ATOM 0 H TYR A 45 -0.833 8.196 -2.876 1.00 0.00 H new ATOM 0 HA TYR A 45 1.562 7.204 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.381 7.421 -0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.338 6.327 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.085 7.643 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.775 9.414 0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.814 9.500 2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.048 11.273 1.755 1.00 0.00 H new ATOM 0 HH TYR A 45 1.714 12.252 2.252 1.00 0.00 H new ATOM 684 N THR A 46 1.305 4.783 -2.001 1.00 0.00 N ATOM 685 CA THR A 46 1.247 3.412 -2.483 1.00 0.00 C ATOM 686 C THR A 46 0.849 2.461 -1.361 1.00 0.00 C ATOM 687 O THR A 46 1.582 2.294 -0.388 1.00 0.00 O ATOM 688 CB THR A 46 2.595 2.999 -3.069 1.00 0.00 C ATOM 689 OG1 THR A 46 2.476 2.729 -4.454 1.00 0.00 O ATOM 690 CG2 THR A 46 3.185 1.770 -2.411 1.00 0.00 C ATOM 0 H THR A 46 2.127 5.002 -1.438 1.00 0.00 H new ATOM 0 HA THR A 46 0.490 3.357 -3.265 1.00 0.00 H new ATOM 0 HB THR A 46 3.260 3.843 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.142 1.532 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.335 1.963 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.503 0.929 -2.534 1.00 0.00 H new ATOM 698 N VAL A 47 -0.321 1.847 -1.506 1.00 0.00 N ATOM 699 CA VAL A 47 -0.825 0.923 -0.504 1.00 0.00 C ATOM 700 C VAL A 47 -0.515 -0.526 -0.862 1.00 0.00 C ATOM 701 O VAL A 47 -0.859 -0.995 -1.946 1.00 0.00 O ATOM 702 CB VAL A 47 -2.349 1.065 -0.322 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.808 0.343 0.938 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.752 2.534 -0.286 1.00 0.00 C ATOM 0 H VAL A 47 -0.936 1.975 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.319 1.180 0.427 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.842 0.601 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.887 0.455 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.559 -0.715 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.308 0.772 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.832 2.612 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.250 3.029 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.463 3.014 -1.221 1.00 0.00 H new ATOM 714 N SER A 48 0.117 -1.235 0.069 1.00 0.00 N ATOM 715 CA SER A 48 0.455 -2.640 -0.122 1.00 0.00 C ATOM 716 C SER A 48 -0.471 -3.515 0.716 1.00 0.00 C ATOM 717 O SER A 48 -0.429 -3.462 1.945 1.00 0.00 O ATOM 718 CB SER A 48 1.917 -2.903 0.266 1.00 0.00 C ATOM 719 OG SER A 48 2.354 -4.156 -0.229 1.00 0.00 O ATOM 0 H SER A 48 0.407 -0.855 0.970 1.00 0.00 H new ATOM 0 HA SER A 48 0.327 -2.887 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.551 -2.110 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.019 -2.880 1.351 1.00 0.00 H new ATOM 0 HG SER A 48 2.844 -4.024 -1.067 1.00 0.00 H new ATOM 725 N VAL A 49 -1.307 -4.312 0.048 1.00 0.00 N ATOM 726 CA VAL A 49 -2.244 -5.195 0.736 1.00 0.00 C ATOM 727 C VAL A 49 -1.942 -6.660 0.434 1.00 0.00 C ATOM 728 O VAL A 49 -1.560 -7.013 -0.689 1.00 0.00 O ATOM 729 CB VAL A 49 -3.704 -4.886 0.364 1.00 0.00 C ATOM 730 CG1 VAL A 49 -3.946 -3.385 0.330 1.00 0.00 C ATOM 731 CG2 VAL A 49 -4.060 -5.534 -0.963 1.00 0.00 C ATOM 0 H VAL A 49 -1.352 -4.362 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.116 -5.014 1.803 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.355 -5.307 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.985 -3.190 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.736 -2.960 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.290 -2.927 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.096 -5.306 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.405 -5.147 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.934 -6.614 -0.886 1.00 0.00 H new ATOM 741 N PHE A 50 -2.100 -7.509 1.450 1.00 0.00 N ATOM 742 CA PHE A 50 -1.825 -8.934 1.307 1.00 0.00 C ATOM 743 C PHE A 50 -3.007 -9.793 1.744 1.00 0.00 C ATOM 744 O PHE A 50 -3.523 -9.643 2.860 1.00 0.00 O ATOM 745 CB PHE A 50 -0.589 -9.314 2.119 1.00 0.00 C ATOM 746 CG PHE A 50 -0.419 -10.797 2.292 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.380 -11.543 2.958 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.699 -11.445 1.791 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.229 -12.907 3.116 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.854 -12.808 1.947 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.111 -13.541 2.611 1.00 0.00 C ATOM 0 H PHE A 50 -2.417 -7.232 2.379 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.647 -9.125 0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.297 -8.909 1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.651 -8.846 3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.255 -11.052 3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.458 -10.877 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.985 -13.478 3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.729 -13.301 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.009 -14.607 2.735 1.00 0.00 H new ATOM 761 N THR A 51 -3.409 -10.706 0.856 1.00 0.00 N ATOM 762 CA THR A 51 -4.504 -11.626 1.118 1.00 0.00 C ATOM 763 C THR A 51 -3.990 -13.057 1.229 1.00 0.00 C ATOM 764 O THR A 51 -3.107 -13.470 0.476 1.00 0.00 O ATOM 765 CB THR A 51 -5.560 -11.533 0.016 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.123 -12.806 -0.248 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.024 -10.989 -1.288 1.00 0.00 C ATOM 0 H THR A 51 -2.981 -10.823 -0.062 1.00 0.00 H new ATOM 0 HA THR A 51 -4.962 -11.345 2.067 1.00 0.00 H new ATOM 0 HB THR A 51 -6.310 -10.839 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.797 -12.725 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.827 -10.951 -2.024 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.630 -9.985 -1.129 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.228 -11.638 -1.653 1.00 0.00 H new ATOM 775 N LYS A 52 -4.543 -13.808 2.175 1.00 0.00 N ATOM 776 CA LYS A 52 -4.136 -15.192 2.385 1.00 0.00 C ATOM 777 C LYS A 52 -5.178 -16.159 1.831 1.00 0.00 C ATOM 778 O LYS A 52 -6.301 -16.232 2.332 1.00 0.00 O ATOM 779 CB LYS A 52 -3.918 -15.460 3.877 1.00 0.00 C ATOM 780 CG LYS A 52 -2.524 -15.966 4.206 1.00 0.00 C ATOM 781 CD LYS A 52 -2.126 -17.127 3.309 1.00 0.00 C ATOM 782 CE LYS A 52 -3.234 -18.164 3.215 1.00 0.00 C ATOM 783 NZ LYS A 52 -3.318 -19.001 4.443 1.00 0.00 N ATOM 0 H LYS A 52 -5.273 -13.482 2.808 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.199 -15.353 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.103 -14.541 4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.651 -16.192 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.805 -15.154 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.487 -16.281 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.890 -16.754 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.221 -17.594 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.188 -17.662 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.059 -18.805 2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.085 -19.695 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.417 -19.500 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.511 -18.393 5.265 1.00 0.00 H new ATOM 797 N ALA A 53 -4.796 -16.900 0.797 1.00 0.00 N ATOM 798 CA ALA A 53 -5.689 -17.863 0.174 1.00 0.00 C ATOM 799 C ALA A 53 -5.660 -19.196 0.914 1.00 0.00 C ATOM 800 O ALA A 53 -4.659 -19.547 1.537 1.00 0.00 O ATOM 801 CB ALA A 53 -5.317 -18.059 -1.288 1.00 0.00 C ATOM 0 H ALA A 53 -3.870 -16.850 0.373 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.704 -17.469 0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.994 -18.783 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.397 -17.108 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.293 -18.427 -1.357 1.00 0.00 H new ATOM 807 N ILE A 54 -6.763 -19.932 0.845 1.00 0.00 N ATOM 808 CA ILE A 54 -6.858 -21.224 1.513 1.00 0.00 C ATOM 809 C ILE A 54 -5.535 -21.978 1.432 1.00 0.00 C ATOM 810 O ILE A 54 -5.245 -22.835 2.268 1.00 0.00 O ATOM 811 CB ILE A 54 -7.974 -22.094 0.898 1.00 0.00 C ATOM 812 CG1 ILE A 54 -9.164 -22.184 1.853 1.00 0.00 C ATOM 813 CG2 ILE A 54 -7.448 -23.482 0.567 1.00 0.00 C ATOM 814 CD1 ILE A 54 -9.183 -23.451 2.678 1.00 0.00 C ATOM 0 H ILE A 54 -7.602 -19.657 0.334 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.098 -21.027 2.558 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.308 -21.626 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.147 -21.324 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.087 -22.122 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.249 -24.081 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.629 -23.400 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.088 -23.961 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.055 -23.446 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.231 -24.316 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.277 -23.506 3.281 1.00 0.00 H new ATOM 826 N ILE A 55 -4.733 -21.649 0.425 1.00 0.00 N ATOM 827 CA ILE A 55 -3.442 -22.285 0.234 1.00 0.00 C ATOM 828 C ILE A 55 -2.306 -21.329 0.580 1.00 0.00 C ATOM 829 O ILE A 55 -2.538 -20.159 0.880 1.00 0.00 O ATOM 830 CB ILE A 55 -3.263 -22.780 -1.213 1.00 0.00 C ATOM 831 CG1 ILE A 55 -4.622 -22.919 -1.900 1.00 0.00 C ATOM 832 CG2 ILE A 55 -2.516 -24.104 -1.233 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.830 -24.263 -2.563 1.00 0.00 C ATOM 0 H ILE A 55 -4.960 -20.941 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.410 -23.143 0.905 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.673 -22.045 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.410 -22.760 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.723 -22.134 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.398 -24.440 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.534 -23.974 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.080 -24.849 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.815 -24.290 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.064 -24.416 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.761 -25.052 -1.815 1.00 0.00 H new ATOM 845 N SER A 56 -1.077 -21.832 0.535 1.00 0.00 N ATOM 846 CA SER A 56 0.093 -21.016 0.843 1.00 0.00 C ATOM 847 C SER A 56 0.504 -20.182 -0.365 1.00 0.00 C ATOM 848 O SER A 56 0.839 -19.003 -0.234 1.00 0.00 O ATOM 849 CB SER A 56 1.256 -21.901 1.287 1.00 0.00 C ATOM 850 OG SER A 56 2.046 -21.254 2.269 1.00 0.00 O ATOM 0 H SER A 56 -0.865 -22.799 0.289 1.00 0.00 H new ATOM 0 HA SER A 56 -0.169 -20.340 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.871 -22.839 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.875 -22.152 0.426 1.00 0.00 H new ATOM 0 HG SER A 56 2.782 -21.843 2.537 1.00 0.00 H new ATOM 856 N GLU A 57 0.477 -20.798 -1.541 1.00 0.00 N ATOM 857 CA GLU A 57 0.843 -20.115 -2.773 1.00 0.00 C ATOM 858 C GLU A 57 -0.292 -19.221 -3.262 1.00 0.00 C ATOM 859 O GLU A 57 -0.067 -18.082 -3.671 1.00 0.00 O ATOM 860 CB GLU A 57 1.209 -21.131 -3.857 1.00 0.00 C ATOM 861 CG GLU A 57 0.115 -22.152 -4.127 1.00 0.00 C ATOM 862 CD GLU A 57 0.277 -22.838 -5.469 1.00 0.00 C ATOM 863 OE1 GLU A 57 1.364 -22.714 -6.072 1.00 0.00 O ATOM 864 OE2 GLU A 57 -0.684 -23.499 -5.917 1.00 0.00 O ATOM 0 H GLU A 57 0.204 -21.773 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 57 1.710 -19.488 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.434 -20.599 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.118 -21.654 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.120 -22.902 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.856 -21.657 -4.091 1.00 0.00 H new ATOM 871 N ASN A 58 -1.512 -19.748 -3.217 1.00 0.00 N ATOM 872 CA ASN A 58 -2.686 -19.003 -3.657 1.00 0.00 C ATOM 873 C ASN A 58 -2.657 -17.569 -3.138 1.00 0.00 C ATOM 874 O ASN A 58 -2.938 -16.626 -3.877 1.00 0.00 O ATOM 875 CB ASN A 58 -3.962 -19.703 -3.184 1.00 0.00 C ATOM 876 CG ASN A 58 -5.210 -19.119 -3.820 1.00 0.00 C ATOM 877 OD1 ASN A 58 -5.479 -17.924 -3.702 1.00 0.00 O ATOM 878 ND2 ASN A 58 -5.979 -19.964 -4.498 1.00 0.00 N ATOM 0 H ASN A 58 -1.713 -20.689 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.675 -18.971 -4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.900 -20.765 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.038 -19.622 -2.100 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.832 -19.630 -4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.717 -20.947 -4.570 1.00 0.00 H new ATOM 885 N PRO A 59 -2.311 -17.388 -1.855 1.00 0.00 N ATOM 886 CA PRO A 59 -2.241 -16.065 -1.234 1.00 0.00 C ATOM 887 C PRO A 59 -1.572 -15.035 -2.139 1.00 0.00 C ATOM 888 O PRO A 59 -0.389 -15.146 -2.455 1.00 0.00 O ATOM 889 CB PRO A 59 -1.395 -16.318 0.013 1.00 0.00 C ATOM 890 CG PRO A 59 -1.688 -17.731 0.382 1.00 0.00 C ATOM 891 CD PRO A 59 -1.957 -18.463 -0.910 1.00 0.00 C ATOM 0 HA PRO A 59 -3.228 -15.653 -1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.334 -16.173 -0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.661 -15.634 0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.846 -18.176 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.550 -17.788 1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.081 -19.018 -1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.768 -19.183 -0.801 1.00 0.00 H new ATOM 899 N CYS A 60 -2.341 -14.033 -2.556 1.00 0.00 N ATOM 900 CA CYS A 60 -1.822 -12.987 -3.431 1.00 0.00 C ATOM 901 C CYS A 60 -1.846 -11.626 -2.740 1.00 0.00 C ATOM 902 O CYS A 60 -2.905 -11.135 -2.351 1.00 0.00 O ATOM 903 CB CYS A 60 -2.636 -12.928 -4.724 1.00 0.00 C ATOM 904 SG CYS A 60 -4.360 -13.439 -4.536 1.00 0.00 S ATOM 0 H CYS A 60 -3.323 -13.924 -2.303 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.786 -13.231 -3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.611 -11.909 -5.110 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.159 -13.564 -5.470 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.966 -13.353 -5.683 1.00 0.00 H new ATOM 910 N ILE A 61 -0.672 -11.025 -2.598 1.00 0.00 N ATOM 911 CA ILE A 61 -0.548 -9.716 -1.964 1.00 0.00 C ATOM 912 C ILE A 61 -0.175 -8.657 -2.998 1.00 0.00 C ATOM 913 O ILE A 61 0.703 -8.881 -3.829 1.00 0.00 O ATOM 914 CB ILE A 61 0.514 -9.743 -0.851 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.471 -8.560 -0.991 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.282 -11.055 -0.884 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.483 -8.472 0.129 1.00 0.00 C ATOM 0 H ILE A 61 0.212 -11.424 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.513 -9.466 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 61 0.007 -9.661 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.998 -8.639 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.893 -7.636 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.030 -11.059 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.591 -11.885 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.777 -11.163 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.131 -7.610 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.964 -8.362 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.085 -9.380 0.147 1.00 0.00 H new ATOM 929 N LYS A 62 -0.849 -7.508 -2.957 1.00 0.00 N ATOM 930 CA LYS A 62 -0.563 -6.445 -3.921 1.00 0.00 C ATOM 931 C LYS A 62 -0.676 -5.053 -3.310 1.00 0.00 C ATOM 932 O LYS A 62 -1.390 -4.838 -2.330 1.00 0.00 O ATOM 933 CB LYS A 62 -1.499 -6.545 -5.125 1.00 0.00 C ATOM 934 CG LYS A 62 -2.116 -7.918 -5.317 1.00 0.00 C ATOM 935 CD LYS A 62 -3.500 -7.818 -5.936 1.00 0.00 C ATOM 936 CE LYS A 62 -3.758 -6.430 -6.499 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.269 -5.495 -5.458 1.00 0.00 N ATOM 0 H LYS A 62 -1.582 -7.291 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 62 0.470 -6.587 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.298 -5.812 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.946 -6.278 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.472 -8.523 -5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.181 -8.428 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.599 -8.558 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.254 -8.053 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.836 -6.033 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.480 -6.497 -7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.831 -4.560 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.302 -5.408 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.032 -5.863 -4.515 1.00 0.00 H new ATOM 951 N HIS A 63 0.025 -4.107 -3.929 1.00 0.00 N ATOM 952 CA HIS A 63 0.010 -2.715 -3.499 1.00 0.00 C ATOM 953 C HIS A 63 -0.511 -1.821 -4.625 1.00 0.00 C ATOM 954 O HIS A 63 -0.406 -2.173 -5.800 1.00 0.00 O ATOM 955 CB HIS A 63 1.414 -2.261 -3.087 1.00 0.00 C ATOM 956 CG HIS A 63 2.478 -3.286 -3.337 1.00 0.00 C ATOM 957 ND1 HIS A 63 3.440 -3.766 -2.506 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 2.654 -3.939 -4.536 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 4.203 -4.710 -3.187 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 3.689 -4.778 -4.401 1.00 0.00 N flip ATOM 0 H HIS A 63 0.617 -4.285 -4.740 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.652 -2.631 -2.637 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.665 -1.350 -3.630 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.408 -2.008 -2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.062 -3.799 -5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.042 -5.271 -2.802 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.035 -5.390 -5.140 1.00 0.00 H new ATOM 968 N TYR A 64 -1.060 -0.663 -4.269 1.00 0.00 N ATOM 969 CA TYR A 64 -1.574 0.269 -5.271 1.00 0.00 C ATOM 970 C TYR A 64 -1.184 1.704 -4.935 1.00 0.00 C ATOM 971 O TYR A 64 -1.101 2.078 -3.765 1.00 0.00 O ATOM 972 CB TYR A 64 -3.097 0.168 -5.392 1.00 0.00 C ATOM 973 CG TYR A 64 -3.759 -0.653 -4.312 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.601 -2.032 -4.263 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.554 -0.048 -3.346 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.214 -2.784 -3.280 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.171 -0.792 -2.362 1.00 0.00 C ATOM 978 CZ TYR A 64 -4.999 -2.160 -2.331 1.00 0.00 C ATOM 979 OH TYR A 64 -5.616 -2.906 -1.354 1.00 0.00 O ATOM 0 H TYR A 64 -1.161 -0.348 -3.304 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.127 -0.006 -6.226 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.517 1.174 -5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.344 -0.264 -6.362 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.989 -2.524 -5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.691 1.023 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.080 -3.855 -3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.786 -0.306 -1.619 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.120 -3.637 -1.770 1.00 0.00 H new ATOM 989 N HIS A 65 -0.955 2.510 -5.970 1.00 0.00 N ATOM 990 CA HIS A 65 -0.585 3.907 -5.777 1.00 0.00 C ATOM 991 C HIS A 65 -1.822 4.797 -5.773 1.00 0.00 C ATOM 992 O HIS A 65 -2.580 4.833 -6.742 1.00 0.00 O ATOM 993 CB HIS A 65 0.391 4.370 -6.862 1.00 0.00 C ATOM 994 CG HIS A 65 1.456 5.285 -6.342 1.00 0.00 C ATOM 995 ND1 HIS A 65 2.089 5.288 -5.142 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 1.986 6.338 -7.054 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 3.006 6.334 -5.111 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 2.905 6.933 -6.281 1.00 0.00 N flip ATOM 0 H HIS A 65 -1.019 2.220 -6.946 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.091 3.990 -4.809 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.860 3.497 -7.317 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.165 4.879 -7.649 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.710 6.632 -8.056 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.664 6.600 -4.297 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.455 7.745 -6.562 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.016 5.506 -4.672 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.161 6.397 -4.519 1.00 0.00 C ATOM 1008 C ILE A 66 -2.999 7.654 -5.366 1.00 0.00 C ATOM 1009 O ILE A 66 -2.115 8.474 -5.115 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.349 6.794 -3.042 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -2.797 5.688 -2.135 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.816 7.069 -2.741 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.792 5.161 -1.122 1.00 0.00 C ATOM 0 H ILE A 66 -1.392 5.483 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.043 5.856 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.795 7.712 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.456 4.860 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.924 6.070 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.926 7.348 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.170 7.884 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.403 6.173 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.322 4.382 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.116 5.975 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.656 4.746 -1.642 1.00 0.00 H new ATOM 1025 N LYS A 67 -3.860 7.802 -6.368 1.00 0.00 N ATOM 1026 CA LYS A 67 -3.813 8.962 -7.251 1.00 0.00 C ATOM 1027 C LYS A 67 -4.643 10.108 -6.684 1.00 0.00 C ATOM 1028 O LYS A 67 -5.691 9.884 -6.080 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.319 8.591 -8.646 1.00 0.00 C ATOM 1030 CG LYS A 67 -3.351 7.721 -9.433 1.00 0.00 C ATOM 1031 CD LYS A 67 -3.922 6.336 -9.683 1.00 0.00 C ATOM 1032 CE LYS A 67 -5.068 6.379 -10.680 1.00 0.00 C ATOM 1033 NZ LYS A 67 -4.930 5.335 -11.734 1.00 0.00 N ATOM 0 H LYS A 67 -4.598 7.134 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.776 9.289 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.270 8.067 -8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.513 9.505 -9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.123 8.199 -10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.412 7.635 -8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.137 5.679 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.272 5.910 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.012 6.240 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.105 7.363 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.062 5.768 -12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.982 4.910 -11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.649 4.598 -11.589 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.161 11.334 -6.878 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.850 12.521 -6.380 1.00 0.00 C ATOM 1049 C GLU A 68 -5.539 13.279 -7.512 1.00 0.00 C ATOM 1050 O GLU A 68 -5.119 13.205 -8.666 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.858 13.447 -5.676 1.00 0.00 C ATOM 1052 CG GLU A 68 -2.929 12.726 -4.715 1.00 0.00 C ATOM 1053 CD GLU A 68 -1.608 12.353 -5.356 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -0.889 13.267 -5.809 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -1.293 11.145 -5.407 1.00 0.00 O ATOM 0 H GLU A 68 -3.294 11.531 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.611 12.192 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.260 13.964 -6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.412 14.210 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.743 13.361 -3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.419 11.824 -4.349 1.00 0.00 H new ATOM 1062 N THR A 69 -6.595 14.014 -7.171 1.00 0.00 N ATOM 1063 CA THR A 69 -7.333 14.789 -8.158 1.00 0.00 C ATOM 1064 C THR A 69 -7.663 16.180 -7.621 1.00 0.00 C ATOM 1065 O THR A 69 -7.012 16.669 -6.697 1.00 0.00 O ATOM 1066 CB THR A 69 -8.616 14.054 -8.555 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.666 14.968 -8.810 1.00 0.00 O ATOM 1068 CG2 THR A 69 -9.098 13.082 -7.500 1.00 0.00 C ATOM 0 H THR A 69 -6.956 14.087 -6.220 1.00 0.00 H new ATOM 0 HA THR A 69 -6.705 14.906 -9.042 1.00 0.00 H new ATOM 0 HB THR A 69 -8.358 13.494 -9.454 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.758 15.099 -9.777 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.010 12.595 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.330 12.329 -7.321 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.301 13.621 -6.574 1.00 0.00 H new ATOM 1076 N ASN A 70 -8.681 16.810 -8.198 1.00 0.00 N ATOM 1077 CA ASN A 70 -9.104 18.137 -7.770 1.00 0.00 C ATOM 1078 C ASN A 70 -10.296 18.014 -6.836 1.00 0.00 C ATOM 1079 O ASN A 70 -11.041 18.969 -6.614 1.00 0.00 O ATOM 1080 CB ASN A 70 -9.468 19.001 -8.980 1.00 0.00 C ATOM 1081 CG ASN A 70 -8.245 19.575 -9.669 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -7.157 19.616 -9.095 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -8.420 20.023 -10.907 1.00 0.00 N ATOM 0 H ASN A 70 -9.229 16.421 -8.965 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.280 18.618 -7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.036 18.403 -9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.117 19.816 -8.659 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.634 20.421 -11.421 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.340 19.969 -11.344 1.00 0.00 H new ATOM 1090 N ASP A 71 -10.461 16.811 -6.299 1.00 0.00 N ATOM 1091 CA ASP A 71 -11.548 16.511 -5.385 1.00 0.00 C ATOM 1092 C ASP A 71 -12.897 16.571 -6.087 1.00 0.00 C ATOM 1093 O ASP A 71 -13.363 17.643 -6.475 1.00 0.00 O ATOM 1094 CB ASP A 71 -11.538 17.474 -4.202 1.00 0.00 C ATOM 1095 CG ASP A 71 -10.516 18.584 -4.353 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -9.343 18.274 -4.645 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -10.891 19.763 -4.181 1.00 0.00 O ATOM 0 H ASP A 71 -9.845 16.020 -6.486 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.396 15.495 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.529 17.913 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.330 16.917 -3.288 1.00 0.00 H new ATOM 1102 N SER A 72 -13.528 15.411 -6.229 1.00 0.00 N ATOM 1103 CA SER A 72 -14.834 15.324 -6.863 1.00 0.00 C ATOM 1104 C SER A 72 -15.973 15.175 -5.846 1.00 0.00 C ATOM 1105 O SER A 72 -17.049 14.692 -6.198 1.00 0.00 O ATOM 1106 CB SER A 72 -14.864 14.157 -7.852 1.00 0.00 C ATOM 1107 OG SER A 72 -15.912 13.253 -7.543 1.00 0.00 O ATOM 0 H SER A 72 -13.153 14.517 -5.912 1.00 0.00 H new ATOM 0 HA SER A 72 -14.994 16.263 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.995 14.538 -8.865 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.909 13.633 -7.830 1.00 0.00 H new ATOM 0 HG SER A 72 -16.754 13.746 -7.455 1.00 0.00 H new ATOM 1113 N PRO A 73 -15.772 15.565 -4.570 1.00 0.00 N ATOM 1114 CA PRO A 73 -14.520 16.147 -4.074 1.00 0.00 C ATOM 1115 C PRO A 73 -13.411 15.115 -3.876 1.00 0.00 C ATOM 1116 O PRO A 73 -12.358 15.425 -3.322 1.00 0.00 O ATOM 1117 CB PRO A 73 -14.925 16.745 -2.727 1.00 0.00 C ATOM 1118 CG PRO A 73 -16.049 15.888 -2.263 1.00 0.00 C ATOM 1119 CD PRO A 73 -16.790 15.470 -3.504 1.00 0.00 C ATOM 0 HA PRO A 73 -14.106 16.864 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.096 16.729 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.235 17.785 -2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -15.679 15.020 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.703 16.435 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.182 14.457 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.639 16.124 -3.702 1.00 0.00 H new ATOM 1127 N LYS A 74 -13.641 13.890 -4.338 1.00 0.00 N ATOM 1128 CA LYS A 74 -12.638 12.838 -4.212 1.00 0.00 C ATOM 1129 C LYS A 74 -11.267 13.366 -4.628 1.00 0.00 C ATOM 1130 O LYS A 74 -11.079 13.803 -5.764 1.00 0.00 O ATOM 1131 CB LYS A 74 -13.016 11.630 -5.070 1.00 0.00 C ATOM 1132 CG LYS A 74 -13.676 12.002 -6.389 1.00 0.00 C ATOM 1133 CD LYS A 74 -14.574 10.886 -6.895 1.00 0.00 C ATOM 1134 CE LYS A 74 -14.924 11.076 -8.361 1.00 0.00 C ATOM 1135 NZ LYS A 74 -16.373 10.853 -8.621 1.00 0.00 N ATOM 0 H LYS A 74 -14.504 13.603 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.596 12.524 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.119 11.045 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.692 10.990 -4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.262 12.912 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.909 12.219 -7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.075 9.926 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.488 10.856 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.651 12.085 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.336 10.386 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.544 10.841 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.663 9.942 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.926 11.620 -8.187 1.00 0.00 H new ATOM 1149 N ARG A 75 -10.318 13.342 -3.698 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.974 13.839 -3.961 1.00 0.00 C ATOM 1151 C ARG A 75 -8.033 12.726 -4.424 1.00 0.00 C ATOM 1152 O ARG A 75 -7.388 12.855 -5.463 1.00 0.00 O ATOM 1153 CB ARG A 75 -8.419 14.524 -2.713 1.00 0.00 C ATOM 1154 CG ARG A 75 -7.551 15.735 -3.018 1.00 0.00 C ATOM 1155 CD ARG A 75 -6.480 15.407 -4.044 1.00 0.00 C ATOM 1156 NE ARG A 75 -5.759 14.184 -3.707 1.00 0.00 N ATOM 1157 CZ ARG A 75 -4.817 14.118 -2.770 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -4.483 15.206 -2.089 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -4.211 12.967 -2.516 1.00 0.00 N ATOM 0 H ARG A 75 -10.456 12.983 -2.753 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.039 14.564 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.250 14.833 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.834 13.803 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -8.176 16.548 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.081 16.088 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.940 15.298 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.776 16.236 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.990 13.332 -4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.948 16.093 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.761 15.156 -1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.467 12.130 -3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.489 12.919 -1.797 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.949 11.635 -3.662 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.074 10.529 -4.036 1.00 0.00 C ATOM 1175 C TYR A 76 -7.878 9.330 -4.500 1.00 0.00 C ATOM 1176 O TYR A 76 -9.055 9.195 -4.179 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.169 10.102 -2.876 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.236 10.997 -1.669 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.509 12.345 -1.798 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -6.020 10.487 -0.399 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.570 13.170 -0.695 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -6.077 11.300 0.713 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.353 12.644 0.562 1.00 0.00 C ATOM 1184 OH TYR A 76 -6.413 13.462 1.667 1.00 0.00 O ATOM 0 H TYR A 76 -8.469 11.496 -2.795 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.450 10.889 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.438 9.089 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.139 10.067 -3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.678 12.760 -2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.804 9.436 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.786 14.221 -0.814 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.907 10.888 1.697 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.334 13.772 1.795 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.227 8.454 -5.250 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.886 7.255 -5.747 1.00 0.00 C ATOM 1196 C TYR A 77 -6.888 6.161 -6.085 1.00 0.00 C ATOM 1197 O TYR A 77 -5.868 6.410 -6.728 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.707 7.571 -6.999 1.00 0.00 C ATOM 1199 CG TYR A 77 -7.908 8.221 -8.105 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.400 9.505 -7.945 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.666 7.560 -9.312 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.675 10.114 -8.950 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -6.940 8.167 -10.320 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.446 9.442 -10.134 1.00 0.00 C ATOM 1205 OH TYR A 77 -5.725 10.048 -11.135 1.00 0.00 O ATOM 0 H TYR A 77 -6.250 8.549 -5.527 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.540 6.902 -4.950 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.147 6.648 -7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.532 8.229 -6.725 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.575 10.035 -7.020 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.051 6.562 -9.459 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.288 11.113 -8.810 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.760 7.646 -11.249 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.653 9.440 -11.901 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.227 4.937 -5.705 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.397 3.794 -6.030 1.00 0.00 C ATOM 1217 C VAL A 78 -7.178 2.927 -6.999 1.00 0.00 C ATOM 1218 O VAL A 78 -7.374 1.729 -6.794 1.00 0.00 O ATOM 1219 CB VAL A 78 -6.032 2.981 -4.775 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -5.090 3.773 -3.881 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -7.288 2.583 -4.019 1.00 0.00 C ATOM 0 H VAL A 78 -8.069 4.714 -5.173 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.461 4.137 -6.471 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.518 2.072 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.843 3.182 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.177 4.005 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.574 4.700 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.013 2.009 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.830 3.479 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.923 1.975 -4.663 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.631 3.586 -8.056 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.418 2.970 -9.107 1.00 0.00 C ATOM 1233 C ALA A 79 -8.837 4.047 -10.098 1.00 0.00 C ATOM 1234 O ALA A 79 -8.810 5.229 -9.774 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.630 2.263 -8.524 1.00 0.00 C ATOM 0 H ALA A 79 -7.457 4.580 -8.207 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.820 2.218 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.207 1.807 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.301 1.489 -7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.252 2.984 -7.994 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.222 3.652 -11.297 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.632 4.619 -12.301 1.00 0.00 C ATOM 1243 C GLU A 80 -11.139 4.807 -12.305 1.00 0.00 C ATOM 1244 O GLU A 80 -11.826 4.494 -13.277 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.129 4.206 -13.680 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.528 5.353 -14.474 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.131 6.695 -14.108 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.367 6.838 -14.213 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.367 7.602 -13.716 1.00 0.00 O ATOM 0 H GLU A 80 -9.260 2.678 -11.599 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.183 5.579 -12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.380 3.422 -13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.956 3.777 -14.246 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.452 5.384 -14.303 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.677 5.170 -15.538 1.00 0.00 H new ATOM 1256 N LYS A 81 -11.631 5.331 -11.197 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.049 5.593 -11.011 1.00 0.00 C ATOM 1258 C LYS A 81 -13.341 5.739 -9.523 1.00 0.00 C ATOM 1259 O LYS A 81 -14.234 6.482 -9.114 1.00 0.00 O ATOM 1260 CB LYS A 81 -13.885 4.474 -11.629 1.00 0.00 C ATOM 1261 CG LYS A 81 -15.297 4.392 -11.080 1.00 0.00 C ATOM 1262 CD LYS A 81 -15.460 3.179 -10.187 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.622 3.304 -8.934 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.229 4.243 -7.950 1.00 0.00 N ATOM 0 H LYS A 81 -11.055 5.589 -10.395 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.317 6.521 -11.516 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.932 4.622 -12.708 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.383 3.522 -11.459 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.526 5.297 -10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.009 4.341 -11.903 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.509 3.063 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.171 2.281 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.507 2.322 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.623 3.651 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.801 4.090 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.057 5.223 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.253 4.073 -7.894 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.546 5.036 -8.725 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.658 5.079 -7.271 1.00 0.00 C ATOM 1280 C TYR A 82 -11.773 6.194 -6.725 1.00 0.00 C ATOM 1281 O TYR A 82 -10.580 5.988 -6.504 1.00 0.00 O ATOM 1282 CB TYR A 82 -12.222 3.745 -6.650 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.672 2.515 -7.410 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.219 2.255 -8.702 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.547 1.606 -6.827 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.629 1.127 -9.386 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.961 0.477 -7.508 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.500 0.242 -8.786 1.00 0.00 C ATOM 1289 OH TYR A 82 -13.910 -0.882 -9.464 1.00 0.00 O ATOM 0 H TYR A 82 -11.807 4.421 -9.066 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.700 5.264 -7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.135 3.732 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.611 3.689 -5.633 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.537 2.946 -9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.909 1.785 -5.825 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.269 0.939 -10.387 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.643 -0.218 -7.041 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.521 -1.400 -8.899 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.346 7.374 -6.520 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.579 8.500 -6.017 1.00 0.00 C ATOM 1301 C VAL A 83 -12.138 9.016 -4.704 1.00 0.00 C ATOM 1302 O VAL A 83 -13.348 9.164 -4.539 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.538 9.653 -7.036 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -10.244 10.441 -6.899 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -11.698 9.120 -8.452 1.00 0.00 C ATOM 0 H VAL A 83 -13.331 7.572 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.566 8.135 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.370 10.326 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.233 11.252 -7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.175 10.856 -5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.395 9.781 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.667 9.949 -9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.888 8.424 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.654 8.604 -8.541 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.237 9.287 -3.775 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.608 9.792 -2.466 1.00 0.00 C ATOM 1317 C PHE A 84 -10.537 10.747 -1.937 1.00 0.00 C ATOM 1318 O PHE A 84 -9.346 10.545 -2.169 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.810 8.625 -1.503 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.284 7.374 -2.184 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.405 6.598 -2.925 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.607 6.978 -2.092 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.840 5.449 -3.558 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.047 5.830 -2.723 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.162 5.065 -3.457 1.00 0.00 C ATOM 0 H PHE A 84 -10.233 9.164 -3.907 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.543 10.346 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.871 8.419 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.533 8.912 -0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.370 6.895 -3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.304 7.573 -1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.146 4.852 -4.131 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.082 5.531 -2.642 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.504 4.168 -3.951 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.968 11.793 -1.238 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.047 12.782 -0.689 1.00 0.00 C ATOM 1337 C ASP A 85 -9.424 12.298 0.614 1.00 0.00 C ATOM 1338 O ASP A 85 -8.941 13.096 1.419 1.00 0.00 O ATOM 1339 CB ASP A 85 -10.767 14.112 -0.463 1.00 0.00 C ATOM 1340 CG ASP A 85 -9.823 15.211 -0.020 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -8.640 14.909 0.244 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -10.266 16.376 0.062 1.00 0.00 O ATOM 0 H ASP A 85 -11.951 11.977 -1.038 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.246 12.928 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.265 14.414 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.544 13.978 0.290 1.00 0.00 H new ATOM 1347 N SER A 86 -9.437 10.989 0.817 1.00 0.00 N ATOM 1348 CA SER A 86 -8.874 10.398 2.023 1.00 0.00 C ATOM 1349 C SER A 86 -8.397 8.978 1.751 1.00 0.00 C ATOM 1350 O SER A 86 -9.176 8.111 1.351 1.00 0.00 O ATOM 1351 CB SER A 86 -9.906 10.400 3.154 1.00 0.00 C ATOM 1352 OG SER A 86 -9.829 9.209 3.917 1.00 0.00 O ATOM 0 H SER A 86 -9.832 10.315 0.161 1.00 0.00 H new ATOM 0 HA SER A 86 -8.018 11.000 2.330 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.739 11.261 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.907 10.504 2.736 1.00 0.00 H new ATOM 0 HG SER A 86 -10.187 9.372 4.815 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.112 8.739 1.969 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.552 7.423 1.737 1.00 0.00 C ATOM 1360 C ILE A 87 -7.271 6.386 2.591 1.00 0.00 C ATOM 1361 O ILE A 87 -7.604 5.301 2.119 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.044 7.384 2.043 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.345 8.593 1.417 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.434 6.091 1.525 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.920 8.367 -0.017 1.00 0.00 C ATOM 0 H ILE A 87 -6.445 9.435 2.303 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.691 7.191 0.681 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.905 7.424 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.015 9.452 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.467 8.844 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.367 6.077 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.917 5.242 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.580 6.026 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.431 9.264 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.225 7.528 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.797 8.145 -0.626 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.546 6.724 3.858 1.00 0.00 N ATOM 1378 CA PRO A 88 -8.252 5.826 4.773 1.00 0.00 C ATOM 1379 C PRO A 88 -9.682 5.596 4.314 1.00 0.00 C ATOM 1380 O PRO A 88 -10.143 4.457 4.240 1.00 0.00 O ATOM 1381 CB PRO A 88 -8.229 6.567 6.116 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.222 7.655 5.950 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.216 8.003 4.492 1.00 0.00 C ATOM 0 HA PRO A 88 -7.789 4.841 4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.211 6.974 6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.953 5.897 6.930 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.483 8.523 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.235 7.325 6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.950 8.774 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.245 8.377 4.168 1.00 0.00 H new ATOM 1391 N LEU A 89 -10.372 6.679 3.959 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.730 6.563 3.458 1.00 0.00 C ATOM 1393 C LEU A 89 -11.670 5.782 2.165 1.00 0.00 C ATOM 1394 O LEU A 89 -12.443 4.849 1.940 1.00 0.00 O ATOM 1395 CB LEU A 89 -12.367 7.941 3.252 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.681 8.325 1.803 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.409 8.720 1.075 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.387 7.188 1.079 1.00 0.00 C ATOM 0 H LEU A 89 -10.014 7.633 4.010 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.358 6.043 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.292 7.981 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.699 8.694 3.670 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.354 9.182 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.648 8.990 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.952 9.572 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.713 7.881 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.599 7.486 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.747 6.306 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.322 6.956 1.590 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.693 6.138 1.346 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.461 5.441 0.101 1.00 0.00 C ATOM 1412 C LEU A 90 -10.167 3.990 0.453 1.00 0.00 C ATOM 1413 O LEU A 90 -10.743 3.052 -0.119 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.298 6.090 -0.656 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.252 5.134 -1.221 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.626 5.725 -2.475 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.185 4.835 -0.181 1.00 0.00 C ATOM 0 H LEU A 90 -10.049 6.908 1.526 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.330 5.493 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.708 6.676 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.798 6.789 0.015 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.742 4.197 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.881 5.034 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.400 5.891 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.148 6.674 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.448 4.152 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.694 5.762 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.647 4.376 0.693 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.317 3.820 1.468 1.00 0.00 N ATOM 1430 CA ILE A 91 -9.001 2.498 1.966 1.00 0.00 C ATOM 1431 C ILE A 91 -10.297 1.859 2.434 1.00 0.00 C ATOM 1432 O ILE A 91 -10.553 0.681 2.189 1.00 0.00 O ATOM 1433 CB ILE A 91 -8.018 2.534 3.156 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.608 2.926 2.716 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.985 1.179 3.830 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.130 2.202 1.482 1.00 0.00 C ATOM 0 H ILE A 91 -8.842 4.582 1.952 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.526 1.934 1.163 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.370 3.291 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.582 3.999 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.915 2.728 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.290 1.207 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.982 0.928 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.659 0.424 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.122 2.534 1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.122 1.128 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.800 2.420 0.650 1.00 0.00 H new ATOM 1448 N GLN A 92 -11.129 2.675 3.089 1.00 0.00 N ATOM 1449 CA GLN A 92 -12.423 2.220 3.567 1.00 0.00 C ATOM 1450 C GLN A 92 -13.260 1.777 2.384 1.00 0.00 C ATOM 1451 O GLN A 92 -13.858 0.701 2.391 1.00 0.00 O ATOM 1452 CB GLN A 92 -13.138 3.334 4.333 1.00 0.00 C ATOM 1453 CG GLN A 92 -13.868 2.846 5.574 1.00 0.00 C ATOM 1454 CD GLN A 92 -14.603 3.961 6.292 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -15.049 4.958 5.538 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -14.768 3.926 7.512 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.923 3.652 3.296 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.279 1.382 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.408 4.090 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.853 3.820 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.579 2.070 5.291 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.152 2.389 6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.408 3.140 8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.265 4.683 7.981 1.00 0.00 H new ATOM 1465 N TYR A 93 -13.267 2.609 1.354 1.00 0.00 N ATOM 1466 CA TYR A 93 -14.000 2.306 0.138 1.00 0.00 C ATOM 1467 C TYR A 93 -13.447 1.038 -0.488 1.00 0.00 C ATOM 1468 O TYR A 93 -14.197 0.183 -0.957 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.916 3.467 -0.853 1.00 0.00 C ATOM 1470 CG TYR A 93 -15.104 3.551 -1.784 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -16.267 4.208 -1.401 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -15.065 2.969 -3.046 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -17.355 4.285 -2.249 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -16.149 3.043 -3.900 1.00 0.00 C ATOM 1475 CZ TYR A 93 -17.291 3.702 -3.496 1.00 0.00 C ATOM 1476 OH TYR A 93 -18.373 3.777 -4.344 1.00 0.00 O ATOM 0 H TYR A 93 -12.772 3.501 1.338 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.049 2.155 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.831 4.402 -0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.007 3.364 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.321 4.666 -0.424 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.173 2.450 -3.364 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -18.251 4.800 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.102 2.587 -4.878 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.163 3.316 -5.183 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.127 0.919 -0.472 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.472 -0.261 -1.026 1.00 0.00 C ATOM 1488 C HIS A 94 -11.441 -1.388 0.000 1.00 0.00 C ATOM 1489 O HIS A 94 -10.564 -2.246 -0.040 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.053 0.070 -1.485 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.999 1.244 -2.403 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.614 2.496 -1.989 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -10.305 1.356 -3.716 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -9.687 3.334 -3.010 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -10.102 2.666 -4.070 1.00 0.00 N ATOM 0 H HIS A 94 -11.492 1.617 -0.086 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.047 -0.590 -1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.431 0.269 -0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.628 -0.798 -1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.646 0.562 -4.365 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.448 4.387 -2.981 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.248 3.059 -5.000 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.407 -1.380 0.917 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.487 -2.409 1.948 1.00 0.00 C ATOM 1506 C GLN A 95 -13.935 -2.712 2.310 1.00 0.00 C ATOM 1507 O GLN A 95 -14.308 -3.871 2.496 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.715 -1.982 3.197 1.00 0.00 C ATOM 1509 CG GLN A 95 -12.281 -0.747 3.872 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.551 -0.399 5.153 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -10.416 0.279 5.022 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -11.999 -0.735 6.249 1.00 0.00 N flip ATOM 0 H GLN A 95 -13.142 -0.674 0.966 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.035 -3.316 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.712 -2.806 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.677 -1.793 2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.224 0.097 3.185 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.336 -0.909 4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.875 -1.255 6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.495 -0.493 7.102 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.745 -1.670 2.403 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.151 -1.833 2.736 1.00 0.00 C ATOM 1523 C TYR A 96 -17.051 -1.299 1.624 1.00 0.00 C ATOM 1524 O TYR A 96 -18.252 -1.115 1.815 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.482 -1.156 4.067 1.00 0.00 C ATOM 1526 CG TYR A 96 -16.513 0.334 3.939 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -16.166 0.901 2.740 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -16.883 1.158 4.991 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -16.180 2.272 2.568 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -16.902 2.531 4.837 1.00 0.00 C ATOM 1531 CZ TYR A 96 -16.549 3.085 3.622 1.00 0.00 C ATOM 1532 OH TYR A 96 -16.566 4.451 3.461 1.00 0.00 O ATOM 0 H TYR A 96 -14.454 -0.704 2.253 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.341 -2.901 2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.449 -1.510 4.425 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.742 -1.441 4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.877 0.265 1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.159 0.722 5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -15.905 2.704 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -17.191 3.167 5.661 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.157 4.878 4.243 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.458 -1.063 0.457 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.194 -0.565 -0.693 1.00 0.00 C ATOM 1544 C ASN A 97 -16.840 -1.363 -1.945 1.00 0.00 C ATOM 1545 O ASN A 97 -16.292 -2.461 -1.858 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.903 0.921 -0.914 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.739 1.820 -0.022 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -17.324 2.924 0.330 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -18.926 1.353 0.348 1.00 0.00 N ATOM 0 H ASN A 97 -15.463 -1.211 0.286 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.259 -0.686 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.846 1.112 -0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.093 1.173 -1.957 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.531 1.915 0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.232 0.432 0.034 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.155 -0.806 -3.109 1.00 0.00 N ATOM 1557 CA GLY A 98 -16.862 -1.482 -4.360 1.00 0.00 C ATOM 1558 C GLY A 98 -15.544 -2.229 -4.319 1.00 0.00 C ATOM 1559 O GLY A 98 -15.520 -3.452 -4.190 1.00 0.00 O ATOM 0 H GLY A 98 -17.608 0.102 -3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.666 -2.182 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.837 -0.751 -5.168 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.445 -1.490 -4.425 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.130 -2.107 -4.395 1.00 0.00 C ATOM 1565 C GLY A 99 -12.507 -2.228 -5.772 1.00 0.00 C ATOM 1566 O GLY A 99 -12.882 -1.508 -6.696 1.00 0.00 O ATOM 0 H GLY A 99 -14.440 -0.476 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.473 -1.520 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.209 -3.098 -3.948 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.553 -3.144 -5.906 1.00 0.00 N ATOM 1571 CA GLY A 100 -10.889 -3.344 -7.180 1.00 0.00 C ATOM 1572 C GLY A 100 -9.535 -4.013 -7.034 1.00 0.00 C ATOM 1573 O GLY A 100 -8.973 -4.512 -8.010 1.00 0.00 O ATOM 0 H GLY A 100 -11.228 -3.752 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.523 -3.953 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.763 -2.381 -7.675 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.009 -4.023 -5.813 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.713 -4.634 -5.542 1.00 0.00 C ATOM 1579 C LEU A 101 -7.879 -5.968 -4.819 1.00 0.00 C ATOM 1580 O LEU A 101 -8.972 -6.533 -4.782 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.847 -3.691 -4.706 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.468 -2.322 -4.425 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.729 -2.151 -2.936 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -6.565 -1.211 -4.941 1.00 0.00 C ATOM 0 H LEU A 101 -9.461 -3.614 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.220 -4.819 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.624 -4.174 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.897 -3.544 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.421 -2.261 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.171 -1.171 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.414 -2.927 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.789 -2.232 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.023 -0.244 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.597 -1.269 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.428 -1.323 -6.017 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.787 -6.465 -4.245 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.814 -7.731 -3.523 1.00 0.00 C ATOM 1598 C VAL A 102 -7.766 -7.659 -2.334 1.00 0.00 C ATOM 1599 O VAL A 102 -7.583 -6.845 -1.428 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.412 -8.132 -3.025 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.350 -8.105 -1.504 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -5.035 -9.508 -3.557 1.00 0.00 C ATOM 0 H VAL A 102 -5.874 -6.010 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.165 -8.488 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.692 -7.407 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.351 -8.392 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.574 -7.099 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.080 -8.805 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.042 -9.778 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.760 -10.244 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.033 -9.489 -4.647 1.00 0.00 H new ATOM 1612 N THR A 103 -8.782 -8.513 -2.346 1.00 0.00 N ATOM 1613 CA THR A 103 -9.765 -8.541 -1.271 1.00 0.00 C ATOM 1614 C THR A 103 -9.898 -7.168 -0.626 1.00 0.00 C ATOM 1615 O THR A 103 -10.153 -7.053 0.571 1.00 0.00 O ATOM 1616 CB THR A 103 -9.376 -9.580 -0.219 1.00 0.00 C ATOM 1617 OG1 THR A 103 -10.480 -9.885 0.617 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.238 -9.134 0.671 1.00 0.00 C ATOM 0 H THR A 103 -8.946 -9.194 -3.087 1.00 0.00 H new ATOM 0 HA THR A 103 -10.729 -8.817 -1.699 1.00 0.00 H new ATOM 0 HB THR A 103 -9.053 -10.455 -0.784 1.00 0.00 H new ATOM 0 HG1 THR A 103 -10.859 -9.055 0.974 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.013 -9.918 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.355 -8.938 0.062 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.524 -8.224 1.199 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.731 -6.130 -1.437 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.836 -4.756 -0.957 1.00 0.00 C ATOM 1628 C ARG A 104 -9.076 -4.575 0.355 1.00 0.00 C ATOM 1629 O ARG A 104 -8.680 -5.550 0.992 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.305 -4.386 -0.755 1.00 0.00 C ATOM 1631 CG ARG A 104 -11.854 -3.442 -1.811 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.286 -3.035 -1.499 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.064 -4.144 -0.952 1.00 0.00 N ATOM 1634 CZ ARG A 104 -14.319 -5.264 -1.620 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -13.858 -5.422 -2.855 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -15.033 -6.228 -1.055 1.00 0.00 N ATOM 0 H ARG A 104 -9.522 -6.213 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.393 -4.099 -1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.902 -5.298 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.422 -3.925 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.226 -2.553 -1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.815 -3.924 -2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.281 -2.210 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.765 -2.670 -2.407 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.432 -4.054 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.307 -4.683 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.055 -6.282 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.388 -6.111 -0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.228 -7.087 -1.570 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.891 -3.322 0.762 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.195 -3.024 2.008 1.00 0.00 C ATOM 1652 C LEU A 105 -8.852 -3.781 3.156 1.00 0.00 C ATOM 1653 O LEU A 105 -10.050 -3.638 3.397 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.219 -1.519 2.297 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.202 -0.678 1.519 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.783 -0.982 1.976 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -7.346 -0.912 0.023 1.00 0.00 C ATOM 0 H LEU A 105 -9.212 -2.501 0.249 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.156 -3.340 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.218 -1.141 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.047 -1.369 3.363 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.405 0.373 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.080 -0.372 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.686 -0.755 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.565 -2.037 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.615 -0.306 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.176 -1.966 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.351 -0.633 -0.294 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.076 -4.600 3.854 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.607 -5.380 4.957 1.00 0.00 C ATOM 1671 C ARG A 106 -7.861 -5.114 6.259 1.00 0.00 C ATOM 1672 O ARG A 106 -8.337 -4.374 7.121 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.549 -6.871 4.620 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.917 -7.517 4.478 1.00 0.00 C ATOM 1675 CD ARG A 106 -9.936 -8.916 5.070 1.00 0.00 C ATOM 1676 NE ARG A 106 -11.027 -9.092 6.024 1.00 0.00 N ATOM 1677 CZ ARG A 106 -10.935 -8.782 7.313 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -9.807 -8.283 7.799 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -11.972 -8.972 8.118 1.00 0.00 N ATOM 0 H ARG A 106 -7.082 -4.739 3.675 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.643 -5.075 5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.996 -7.003 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.991 -7.390 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.665 -6.900 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.191 -7.563 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.034 -9.648 4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.986 -9.113 5.566 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.909 -9.474 5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.007 -8.136 7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.739 -8.046 8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -12.841 -9.356 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.900 -8.734 9.107 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.696 -5.737 6.404 1.00 0.00 N ATOM 1694 CA TYR A 107 -5.892 -5.587 7.610 1.00 0.00 C ATOM 1695 C TYR A 107 -4.698 -4.669 7.366 1.00 0.00 C ATOM 1696 O TYR A 107 -3.903 -4.896 6.455 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.406 -6.972 8.054 1.00 0.00 C ATOM 1698 CG TYR A 107 -4.248 -6.956 9.029 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -3.978 -5.841 9.806 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.428 -8.068 9.174 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -2.922 -5.828 10.696 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -2.371 -8.066 10.064 1.00 0.00 C ATOM 1703 CZ TYR A 107 -2.122 -6.943 10.822 1.00 0.00 C ATOM 1704 OH TYR A 107 -1.070 -6.935 11.710 1.00 0.00 O ATOM 0 H TYR A 107 -6.288 -6.351 5.700 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.504 -5.135 8.390 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.240 -7.505 8.511 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.111 -7.538 7.171 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -4.605 -4.966 9.714 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.620 -8.950 8.581 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -2.724 -4.948 11.290 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -1.744 -8.940 10.165 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.270 -7.533 12.460 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.557 -3.614 8.183 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.461 -2.657 8.064 1.00 0.00 C ATOM 1716 C PRO A 108 -2.170 -3.181 8.683 1.00 0.00 C ATOM 1717 O PRO A 108 -1.941 -3.032 9.884 1.00 0.00 O ATOM 1718 CB PRO A 108 -3.961 -1.430 8.845 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.360 -1.749 9.268 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.463 -3.247 9.276 1.00 0.00 C ATOM 0 HA PRO A 108 -3.221 -2.446 7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.327 -1.234 9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.936 -0.535 8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.571 -1.339 10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.084 -1.313 8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.149 -3.674 10.229 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.482 -3.588 9.095 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.327 -3.796 7.861 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.064 -4.337 8.335 1.00 0.00 C ATOM 1730 C VAL A 109 1.075 -3.347 8.116 1.00 0.00 C ATOM 1731 O VAL A 109 2.111 -3.695 7.553 1.00 0.00 O ATOM 1732 CB VAL A 109 0.282 -5.664 7.635 1.00 0.00 C ATOM 1733 CG1 VAL A 109 1.646 -6.166 8.083 1.00 0.00 C ATOM 1734 CG2 VAL A 109 -0.791 -6.705 7.908 1.00 0.00 C ATOM 0 H VAL A 109 -1.497 -3.931 6.864 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.183 -4.521 9.403 1.00 0.00 H new ATOM 0 HB VAL A 109 0.321 -5.487 6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.872 -7.105 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.406 -5.426 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.638 -6.327 9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.530 -7.637 7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.864 -6.880 8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.750 -6.346 7.533 1.00 0.00 H new ATOM 1744 N CYS A 110 0.873 -2.112 8.564 1.00 0.00 N ATOM 1745 CA CYS A 110 1.885 -1.071 8.417 1.00 0.00 C ATOM 1746 C CYS A 110 3.237 -1.546 8.937 1.00 0.00 C ATOM 1747 O CYS A 110 3.720 -1.069 9.963 1.00 0.00 O ATOM 1748 CB CYS A 110 1.456 0.195 9.161 1.00 0.00 C ATOM 1749 SG CYS A 110 0.601 -0.121 10.722 1.00 0.00 S ATOM 0 H CYS A 110 0.019 -1.808 9.031 1.00 0.00 H new ATOM 0 HA CYS A 110 1.985 -0.845 7.355 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.338 0.804 9.359 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.803 0.781 8.514 1.00 0.00 H new ATOM 0 HG CYS A 110 0.761 0.894 11.518 1.00 0.00 H new ATOM 1755 N GLY A 111 3.842 -2.488 8.222 1.00 0.00 N ATOM 1756 CA GLY A 111 5.133 -3.010 8.629 1.00 0.00 C ATOM 1757 C GLY A 111 5.413 -2.787 10.103 1.00 0.00 C ATOM 1758 O GLY A 111 4.476 -2.939 10.914 1.00 0.00 O ATOM 0 H GLY A 111 3.462 -2.899 7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.174 -4.077 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.916 -2.535 8.038 1.00 0.00 H new TER 1762 GLY A 111 HETATM 1763 C ACE B 118 2.145 3.007 -13.072 1.00 0.00 C HETATM 1764 O ACE B 118 1.586 2.064 -12.513 1.00 0.00 O HETATM 1765 CH3 ACE B 118 1.846 4.430 -12.668 1.00 0.00 C HETATM 0 H1 ACE B 118 2.762 4.910 -12.323 1.00 0.00 H new HETATM 0 H2 ACE B 118 1.450 4.976 -13.524 1.00 0.00 H new HETATM 0 H3 ACE B 118 1.110 4.433 -11.864 1.00 0.00 H new ATOM 1769 N ALA B 119 3.032 2.849 -14.048 1.00 0.00 N ATOM 1770 CA ALA B 119 3.408 1.526 -14.532 1.00 0.00 C ATOM 1771 C ALA B 119 3.958 0.664 -13.401 1.00 0.00 C ATOM 1772 O ALA B 119 3.494 -0.453 -13.177 1.00 0.00 O ATOM 1773 CB ALA B 119 4.429 1.645 -15.652 1.00 0.00 C ATOM 0 H ALA B 119 3.504 3.621 -14.520 1.00 0.00 H new ATOM 0 HA ALA B 119 2.513 1.040 -14.921 1.00 0.00 H new ATOM 0 HB1 ALA B 119 4.701 0.650 -16.004 1.00 0.00 H new ATOM 0 HB2 ALA B 119 4.001 2.217 -16.475 1.00 0.00 H new ATOM 0 HB3 ALA B 119 5.319 2.154 -15.281 1.00 0.00 H new ATOM 1779 N ASP B 120 4.951 1.192 -12.691 1.00 0.00 N ATOM 1780 CA ASP B 120 5.565 0.470 -11.583 1.00 0.00 C ATOM 1781 C ASP B 120 4.509 0.005 -10.586 1.00 0.00 C ATOM 1782 O ASP B 120 4.530 -1.140 -10.134 1.00 0.00 O ATOM 1783 CB ASP B 120 6.593 1.357 -10.877 1.00 0.00 C ATOM 1784 CG ASP B 120 7.091 2.481 -11.763 1.00 0.00 C ATOM 1785 OD1 ASP B 120 6.849 2.424 -12.987 1.00 0.00 O ATOM 1786 OD2 ASP B 120 7.723 3.419 -11.233 1.00 0.00 O ATOM 0 H ASP B 120 5.347 2.116 -12.864 1.00 0.00 H new ATOM 0 HA ASP B 120 6.069 -0.408 -11.988 1.00 0.00 H new ATOM 0 HB2 ASP B 120 6.147 1.778 -9.976 1.00 0.00 H new ATOM 0 HB3 ASP B 120 7.438 0.747 -10.559 1.00 0.00 H new HETATM 1791 N PTR B 121 3.587 0.900 -10.247 1.00 0.00 N HETATM 1792 CA PTR B 121 2.522 0.580 -9.303 1.00 0.00 C HETATM 1793 C PTR B 121 1.349 -0.087 -10.012 1.00 0.00 C HETATM 1794 O PTR B 121 0.367 0.569 -10.360 1.00 0.00 O HETATM 1795 CB PTR B 121 2.046 1.849 -8.592 1.00 0.00 C HETATM 1796 CG PTR B 121 2.808 2.153 -7.321 1.00 0.00 C HETATM 1797 CD1 PTR B 121 2.584 1.419 -6.164 1.00 0.00 C HETATM 1798 CD2 PTR B 121 3.750 3.173 -7.282 1.00 0.00 C HETATM 1799 CE1 PTR B 121 3.279 1.693 -5.001 1.00 0.00 C HETATM 1800 CE2 PTR B 121 4.449 3.453 -6.124 1.00 0.00 C HETATM 1801 CZ PTR B 121 4.210 2.711 -4.986 1.00 0.00 C HETATM 1802 OH PTR B 121 4.904 2.987 -3.831 1.00 0.00 O HETATM 1803 P PTR B 121 6.239 3.813 -4.189 1.00 0.00 P HETATM 1804 O1P PTR B 121 6.853 3.410 -5.622 1.00 0.00 O HETATM 1805 O2P PTR B 121 7.181 3.582 -3.072 1.00 0.00 O HETATM 1806 O3P PTR B 121 5.787 5.354 -4.311 1.00 0.00 O HETATM 0 HE2 PTR B 121 5.186 4.256 -6.110 1.00 0.00 H new HETATM 0 HE1 PTR B 121 3.092 1.108 -4.101 1.00 0.00 H new HETATM 0 HD2 PTR B 121 3.941 3.762 -8.179 1.00 0.00 H new HETATM 0 HD1 PTR B 121 1.849 0.614 -6.173 1.00 0.00 H new HETATM 0 HB3 PTR B 121 2.141 2.694 -9.273 1.00 0.00 H new HETATM 0 HB2 PTR B 121 0.987 1.747 -8.355 1.00 0.00 H new HETATM 0 HA PTR B 121 2.921 -0.116 -8.565 1.00 0.00 H new ATOM 1815 N GLU B 122 1.457 -1.395 -10.226 1.00 0.00 N ATOM 1816 CA GLU B 122 0.402 -2.147 -10.895 1.00 0.00 C ATOM 1817 C GLU B 122 -0.953 -1.473 -10.687 1.00 0.00 C ATOM 1818 O GLU B 122 -1.406 -0.698 -11.530 1.00 0.00 O ATOM 1819 CB GLU B 122 0.363 -3.586 -10.379 1.00 0.00 C ATOM 1820 CG GLU B 122 1.322 -4.520 -11.097 1.00 0.00 C ATOM 1821 CD GLU B 122 2.684 -3.896 -11.320 1.00 0.00 C ATOM 1822 OE1 GLU B 122 2.742 -2.682 -11.614 1.00 0.00 O ATOM 1823 OE2 GLU B 122 3.696 -4.619 -11.203 1.00 0.00 O ATOM 0 H GLU B 122 2.263 -1.955 -9.946 1.00 0.00 H new ATOM 0 HA GLU B 122 0.618 -2.165 -11.963 1.00 0.00 H new ATOM 0 HB2 GLU B 122 0.598 -3.587 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU B 122 -0.651 -3.972 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU B 122 1.436 -5.435 -10.516 1.00 0.00 H new ATOM 0 HG3 GLU B 122 0.895 -4.805 -12.059 1.00 0.00 H new ATOM 1830 N PRO B 123 -1.618 -1.757 -9.554 1.00 0.00 N ATOM 1831 CA PRO B 123 -2.923 -1.172 -9.237 1.00 0.00 C ATOM 1832 C PRO B 123 -2.802 0.241 -8.676 1.00 0.00 C ATOM 1833 O PRO B 123 -1.811 0.580 -8.030 1.00 0.00 O ATOM 1834 CB PRO B 123 -3.464 -2.120 -8.171 1.00 0.00 C ATOM 1835 CG PRO B 123 -2.248 -2.600 -7.456 1.00 0.00 C ATOM 1836 CD PRO B 123 -1.153 -2.667 -8.491 1.00 0.00 C ATOM 0 HA PRO B 123 -3.560 -1.075 -10.116 1.00 0.00 H new ATOM 0 HB2 PRO B 123 -4.148 -1.609 -7.494 1.00 0.00 H new ATOM 0 HB3 PRO B 123 -4.016 -2.947 -8.617 1.00 0.00 H new ATOM 0 HG2 PRO B 123 -1.978 -1.921 -6.647 1.00 0.00 H new ATOM 0 HG3 PRO B 123 -2.420 -3.578 -7.007 1.00 0.00 H new ATOM 0 HD2 PRO B 123 -0.195 -2.347 -8.081 1.00 0.00 H new ATOM 0 HD3 PRO B 123 -1.017 -3.682 -8.864 1.00 0.00 H new ATOM 1844 N PRO B 124 -3.816 1.084 -8.917 1.00 0.00 N ATOM 1845 CA PRO B 124 -3.827 2.465 -8.432 1.00 0.00 C ATOM 1846 C PRO B 124 -4.195 2.550 -6.957 1.00 0.00 C ATOM 1847 O PRO B 124 -3.731 3.434 -6.237 1.00 0.00 O ATOM 1848 CB PRO B 124 -4.907 3.118 -9.288 1.00 0.00 C ATOM 1849 CG PRO B 124 -5.862 2.013 -9.584 1.00 0.00 C ATOM 1850 CD PRO B 124 -5.036 0.755 -9.675 1.00 0.00 C ATOM 0 HA PRO B 124 -2.850 2.941 -8.511 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -5.396 3.934 -8.757 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -4.489 3.538 -10.203 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -6.614 1.929 -8.800 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.394 2.198 -10.517 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -5.558 -0.099 -9.243 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -4.808 0.499 -10.710 1.00 0.00 H new HETATM 1858 N NH2 B 125 -5.036 1.634 -6.492 1.00 0.00 N TER 1859 NH2 B 125