USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 GLN :FLIP amide:sc= -0.0954 F(o=-6.1!,f=0.75) USER MOD Set 1.2: A 97 THR OG1 : rot 107:sc= 0.842 USER MOD Set 2.1: A 59 LYS NZ :NH3+ -149:sc= -0.199 (180deg=-3.51!) USER MOD Set 2.2: A 63 HIS : no HD1:sc= -2.83 K(o=-3,f=-6.7!) USER MOD Set 3.1: A 41 GLN : amide:sc= -5.19! C(o=-5.1!,f=-5!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ -179:sc= 0.102 (180deg=0) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 168:sc= 0.00147 (180deg=0) USER MOD Set 4.2: A 80 ASN :FLIP amide:sc= -0.0384 F(o=-4.3!,f=-0.037) USER MOD Single : A 6 ASN :FLIP amide:sc= -2.02 F(o=-5.4!,f=-2) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 13 ASN : amide:sc= -3.24 K(o=-3.2,f=-4.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -3.8! C(o=-5.9!,f=-3.8!) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.91! C(o=-2.6!,f=-1.9!) USER MOD Single : A 31 THR OG1 : rot 54:sc= 0.621 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.209 (180deg=-1) USER MOD Single : A 33 MET CE :methyl 144:sc= -0.841 (180deg=-3.63!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.842 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 0.0466 (180deg=-0.123) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -9.85! C(o=-9.9!,f=-13!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 124:sc= -0.214 (180deg=-0.915) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 77:sc= 0.471 USER MOD Single : A 101 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 102 ASN :FLIP amide:sc= -2.22! C(o=-3.2!,f=-2.2!) USER MOD Single : A 103 GLN :FLIP amide:sc= -4.23! C(o=-8.1!,f=-4.2!) USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= 0.921 (180deg=0.75!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 12.931 5.420 10.312 1.00 0.00 N ATOM 14 CA ASP A 2 11.639 4.743 10.628 1.00 0.00 C ATOM 15 C ASP A 2 10.696 4.895 9.439 1.00 0.00 C ATOM 16 O ASP A 2 9.746 4.153 9.281 1.00 0.00 O ATOM 17 CB ASP A 2 11.002 5.431 11.839 1.00 0.00 C ATOM 18 CG ASP A 2 11.590 4.865 13.135 1.00 0.00 C ATOM 19 OD1 ASP A 2 11.451 3.672 13.355 1.00 0.00 O ATOM 20 OD2 ASP A 2 12.169 5.633 13.885 1.00 0.00 O ATOM 0 HA ASP A 2 11.816 3.688 10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.177 6.506 11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.922 5.283 11.825 1.00 0.00 H new ATOM 25 N LEU A 3 10.953 5.856 8.606 1.00 0.00 N ATOM 26 CA LEU A 3 10.081 6.074 7.423 1.00 0.00 C ATOM 27 C LEU A 3 10.622 5.242 6.268 1.00 0.00 C ATOM 28 O LEU A 3 9.904 4.503 5.627 1.00 0.00 O ATOM 29 CB LEU A 3 10.089 7.556 7.036 1.00 0.00 C ATOM 30 CG LEU A 3 9.689 8.420 8.241 1.00 0.00 C ATOM 31 CD1 LEU A 3 9.921 9.895 7.900 1.00 0.00 C ATOM 32 CD2 LEU A 3 8.208 8.199 8.586 1.00 0.00 C ATOM 0 H LEU A 3 11.735 6.506 8.693 1.00 0.00 H new ATOM 0 HA LEU A 3 9.058 5.778 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.081 7.843 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.398 7.728 6.211 1.00 0.00 H new ATOM 0 HG LEU A 3 10.296 8.138 9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.639 10.514 8.752 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.974 10.054 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.315 10.168 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.938 8.817 9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.590 8.473 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.044 7.149 8.830 1.00 0.00 H new ATOM 44 N GLU A 4 11.899 5.339 6.019 1.00 0.00 N ATOM 45 CA GLU A 4 12.506 4.540 4.930 1.00 0.00 C ATOM 46 C GLU A 4 12.327 3.084 5.298 1.00 0.00 C ATOM 47 O GLU A 4 12.351 2.195 4.468 1.00 0.00 O ATOM 48 CB GLU A 4 13.996 4.861 4.830 1.00 0.00 C ATOM 49 CG GLU A 4 14.196 6.378 4.835 1.00 0.00 C ATOM 50 CD GLU A 4 15.668 6.700 4.569 1.00 0.00 C ATOM 51 OE1 GLU A 4 16.166 6.290 3.533 1.00 0.00 O ATOM 52 OE2 GLU A 4 16.273 7.350 5.406 1.00 0.00 O ATOM 0 H GLU A 4 12.546 5.941 6.528 1.00 0.00 H new ATOM 0 HA GLU A 4 12.037 4.763 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.532 4.411 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.410 4.432 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.568 6.841 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.890 6.793 5.795 1.00 0.00 H new ATOM 59 N ASP A 5 12.147 2.845 6.562 1.00 0.00 N ATOM 60 CA ASP A 5 11.966 1.456 7.033 1.00 0.00 C ATOM 61 C ASP A 5 10.568 0.970 6.618 1.00 0.00 C ATOM 62 O ASP A 5 10.411 -0.098 6.060 1.00 0.00 O ATOM 63 CB ASP A 5 12.122 1.465 8.560 1.00 0.00 C ATOM 64 CG ASP A 5 11.363 0.297 9.204 1.00 0.00 C ATOM 65 OD1 ASP A 5 11.437 -0.797 8.671 1.00 0.00 O ATOM 66 OD2 ASP A 5 10.720 0.521 10.218 1.00 0.00 O ATOM 0 H ASP A 5 12.118 3.558 7.291 1.00 0.00 H new ATOM 0 HA ASP A 5 12.702 0.780 6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.179 1.403 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.750 2.408 8.960 1.00 0.00 H new ATOM 71 N ASN A 6 9.553 1.746 6.893 1.00 0.00 N ATOM 72 CA ASN A 6 8.171 1.331 6.523 1.00 0.00 C ATOM 73 C ASN A 6 8.164 0.902 5.043 1.00 0.00 C ATOM 74 O ASN A 6 7.580 -0.096 4.678 1.00 0.00 O ATOM 75 CB ASN A 6 7.206 2.519 6.785 1.00 0.00 C ATOM 76 CG ASN A 6 6.221 2.719 5.624 1.00 0.00 C ATOM 77 OD1 ASN A 6 6.685 3.065 4.456 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 5.027 2.560 5.786 1.00 0.00 N flip ATOM 0 H ASN A 6 9.623 2.651 7.359 1.00 0.00 H new ATOM 0 HA ASN A 6 7.837 0.485 7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.651 2.340 7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.784 3.431 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.668 2.289 6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.384 2.697 5.006 1.00 0.00 H new ATOM 85 N TRP A 7 8.804 1.658 4.195 1.00 0.00 N ATOM 86 CA TRP A 7 8.830 1.304 2.745 1.00 0.00 C ATOM 87 C TRP A 7 9.351 -0.124 2.581 1.00 0.00 C ATOM 88 O TRP A 7 8.759 -0.932 1.897 1.00 0.00 O ATOM 89 CB TRP A 7 9.750 2.281 1.992 1.00 0.00 C ATOM 90 CG TRP A 7 9.011 3.537 1.635 1.00 0.00 C ATOM 91 CD1 TRP A 7 8.626 4.495 2.511 1.00 0.00 C ATOM 92 CD2 TRP A 7 8.573 3.987 0.322 1.00 0.00 C ATOM 93 NE1 TRP A 7 7.981 5.504 1.817 1.00 0.00 N ATOM 94 CE2 TRP A 7 7.922 5.235 0.464 1.00 0.00 C ATOM 95 CE3 TRP A 7 8.676 3.436 -0.969 1.00 0.00 C ATOM 96 CZ2 TRP A 7 7.394 5.914 -0.636 1.00 0.00 C ATOM 97 CZ3 TRP A 7 8.145 4.116 -2.077 1.00 0.00 C ATOM 98 CH2 TRP A 7 7.507 5.352 -1.911 1.00 0.00 C ATOM 0 H TRP A 7 9.312 2.507 4.442 1.00 0.00 H new ATOM 0 HA TRP A 7 7.822 1.372 2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.614 2.525 2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.130 1.807 1.087 1.00 0.00 H new ATOM 0 HD1 TRP A 7 8.795 4.475 3.578 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.597 6.343 2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.167 2.484 -1.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.902 6.866 -0.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.229 3.683 -3.063 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.103 5.871 -2.768 1.00 0.00 H new ATOM 109 N GLU A 8 10.446 -0.449 3.199 1.00 0.00 N ATOM 110 CA GLU A 8 10.974 -1.815 3.060 1.00 0.00 C ATOM 111 C GLU A 8 9.891 -2.813 3.467 1.00 0.00 C ATOM 112 O GLU A 8 9.844 -3.922 2.975 1.00 0.00 O ATOM 113 CB GLU A 8 12.179 -1.968 3.976 1.00 0.00 C ATOM 114 CG GLU A 8 12.905 -3.255 3.632 1.00 0.00 C ATOM 115 CD GLU A 8 14.061 -3.472 4.612 1.00 0.00 C ATOM 116 OE1 GLU A 8 15.020 -2.720 4.539 1.00 0.00 O ATOM 117 OE2 GLU A 8 13.968 -4.383 5.417 1.00 0.00 O ATOM 0 H GLU A 8 10.993 0.175 3.792 1.00 0.00 H new ATOM 0 HA GLU A 8 11.270 -2.002 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.849 -1.116 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.859 -1.984 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.214 -4.097 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.285 -3.208 2.611 1.00 0.00 H new ATOM 124 N THR A 9 9.016 -2.431 4.361 1.00 0.00 N ATOM 125 CA THR A 9 7.946 -3.376 4.783 1.00 0.00 C ATOM 126 C THR A 9 6.959 -3.589 3.632 1.00 0.00 C ATOM 127 O THR A 9 6.854 -4.675 3.098 1.00 0.00 O ATOM 128 CB THR A 9 7.215 -2.841 6.020 1.00 0.00 C ATOM 129 OG1 THR A 9 8.164 -2.549 7.037 1.00 0.00 O ATOM 130 CG2 THR A 9 6.236 -3.903 6.526 1.00 0.00 C ATOM 0 H THR A 9 8.997 -1.516 4.811 1.00 0.00 H new ATOM 0 HA THR A 9 8.402 -4.332 5.041 1.00 0.00 H new ATOM 0 HB THR A 9 6.668 -1.934 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.700 -2.205 7.829 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.714 -3.527 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.512 -4.132 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.784 -4.808 6.789 1.00 0.00 H new ATOM 138 N LEU A 10 6.236 -2.574 3.233 1.00 0.00 N ATOM 139 CA LEU A 10 5.277 -2.771 2.111 1.00 0.00 C ATOM 140 C LEU A 10 6.056 -3.251 0.882 1.00 0.00 C ATOM 141 O LEU A 10 5.541 -3.961 0.044 1.00 0.00 O ATOM 142 CB LEU A 10 4.522 -1.465 1.798 1.00 0.00 C ATOM 143 CG LEU A 10 5.505 -0.326 1.429 1.00 0.00 C ATOM 144 CD1 LEU A 10 5.647 -0.200 -0.097 1.00 0.00 C ATOM 145 CD2 LEU A 10 4.987 1.011 1.979 1.00 0.00 C ATOM 0 H LEU A 10 6.268 -1.634 3.629 1.00 0.00 H new ATOM 0 HA LEU A 10 4.535 -3.518 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.828 -1.631 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.927 -1.170 2.662 1.00 0.00 H new ATOM 0 HG LEU A 10 6.475 -0.566 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.342 0.606 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.026 -1.137 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.674 0.020 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.683 1.807 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.009 1.227 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.900 0.949 3.064 1.00 0.00 H new ATOM 157 N ASN A 11 7.305 -2.875 0.770 1.00 0.00 N ATOM 158 CA ASN A 11 8.110 -3.341 -0.398 1.00 0.00 C ATOM 159 C ASN A 11 8.421 -4.835 -0.235 1.00 0.00 C ATOM 160 O ASN A 11 8.060 -5.651 -1.061 1.00 0.00 O ATOM 161 CB ASN A 11 9.417 -2.544 -0.500 1.00 0.00 C ATOM 162 CG ASN A 11 10.002 -2.704 -1.909 1.00 0.00 C ATOM 163 OD1 ASN A 11 11.066 -3.268 -2.079 1.00 0.00 O ATOM 164 ND2 ASN A 11 9.343 -2.224 -2.933 1.00 0.00 N ATOM 0 H ASN A 11 7.797 -2.272 1.429 1.00 0.00 H new ATOM 0 HA ASN A 11 7.537 -3.183 -1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.231 -1.491 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.131 -2.897 0.244 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.722 -2.323 -3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.451 -1.751 -2.789 1.00 0.00 H new ATOM 171 N ASP A 12 9.096 -5.193 0.831 1.00 0.00 N ATOM 172 CA ASP A 12 9.445 -6.628 1.063 1.00 0.00 C ATOM 173 C ASP A 12 8.163 -7.466 1.083 1.00 0.00 C ATOM 174 O ASP A 12 8.194 -8.679 0.987 1.00 0.00 O ATOM 175 CB ASP A 12 10.185 -6.761 2.402 1.00 0.00 C ATOM 176 CG ASP A 12 10.325 -8.240 2.776 1.00 0.00 C ATOM 177 OD1 ASP A 12 9.372 -8.789 3.303 1.00 0.00 O ATOM 178 OD2 ASP A 12 11.383 -8.795 2.530 1.00 0.00 O ATOM 0 H ASP A 12 9.421 -4.549 1.552 1.00 0.00 H new ATOM 0 HA ASP A 12 10.091 -6.986 0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.170 -6.300 2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.641 -6.230 3.183 1.00 0.00 H new ATOM 183 N ASN A 13 7.038 -6.821 1.183 1.00 0.00 N ATOM 184 CA ASN A 13 5.747 -7.550 1.190 1.00 0.00 C ATOM 185 C ASN A 13 5.469 -8.021 -0.244 1.00 0.00 C ATOM 186 O ASN A 13 5.222 -9.181 -0.498 1.00 0.00 O ATOM 187 CB ASN A 13 4.639 -6.558 1.600 1.00 0.00 C ATOM 188 CG ASN A 13 4.103 -6.806 3.016 1.00 0.00 C ATOM 189 OD1 ASN A 13 4.025 -7.931 3.472 1.00 0.00 O ATOM 190 ND2 ASN A 13 3.727 -5.767 3.732 1.00 0.00 N ATOM 0 H ASN A 13 6.959 -5.807 1.261 1.00 0.00 H new ATOM 0 HA ASN A 13 5.776 -8.395 1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.028 -5.542 1.538 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.816 -6.628 0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.367 -5.902 4.677 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.796 -4.827 3.342 1.00 0.00 H new ATOM 197 N LEU A 14 5.491 -7.094 -1.168 1.00 0.00 N ATOM 198 CA LEU A 14 5.201 -7.414 -2.594 1.00 0.00 C ATOM 199 C LEU A 14 6.126 -8.514 -3.094 1.00 0.00 C ATOM 200 O LEU A 14 5.781 -9.265 -3.986 1.00 0.00 O ATOM 201 CB LEU A 14 5.419 -6.153 -3.435 1.00 0.00 C ATOM 202 CG LEU A 14 4.288 -5.138 -3.162 1.00 0.00 C ATOM 203 CD1 LEU A 14 4.795 -3.714 -3.399 1.00 0.00 C ATOM 204 CD2 LEU A 14 3.109 -5.407 -4.102 1.00 0.00 C ATOM 0 H LEU A 14 5.702 -6.112 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 14 4.170 -7.758 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.385 -5.708 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.441 -6.411 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 14 3.966 -5.245 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.991 -3.004 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.630 -3.509 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.126 -3.613 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.314 -4.687 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.439 -5.309 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.734 -6.417 -3.935 1.00 0.00 H new ATOM 216 N LYS A 15 7.291 -8.632 -2.535 1.00 0.00 N ATOM 217 CA LYS A 15 8.204 -9.701 -3.001 1.00 0.00 C ATOM 218 C LYS A 15 7.640 -11.047 -2.561 1.00 0.00 C ATOM 219 O LYS A 15 7.576 -11.982 -3.326 1.00 0.00 O ATOM 220 CB LYS A 15 9.594 -9.511 -2.382 1.00 0.00 C ATOM 221 CG LYS A 15 10.577 -10.548 -2.968 1.00 0.00 C ATOM 222 CD LYS A 15 11.716 -10.828 -1.971 1.00 0.00 C ATOM 223 CE LYS A 15 11.283 -11.894 -0.951 1.00 0.00 C ATOM 224 NZ LYS A 15 11.569 -13.249 -1.504 1.00 0.00 N ATOM 0 H LYS A 15 7.648 -8.042 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 15 8.290 -9.661 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.955 -8.502 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.538 -9.622 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.047 -11.473 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.989 -10.178 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.602 -11.167 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.989 -9.909 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.816 -11.752 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.220 -11.795 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.277 -13.973 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.041 -13.381 -2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.588 -13.340 -1.691 1.00 0.00 H new ATOM 238 N VAL A 16 7.236 -11.150 -1.330 1.00 0.00 N ATOM 239 CA VAL A 16 6.689 -12.444 -0.834 1.00 0.00 C ATOM 240 C VAL A 16 5.519 -12.893 -1.722 1.00 0.00 C ATOM 241 O VAL A 16 5.227 -14.068 -1.828 1.00 0.00 O ATOM 242 CB VAL A 16 6.201 -12.270 0.611 1.00 0.00 C ATOM 243 CG1 VAL A 16 5.501 -13.551 1.064 1.00 0.00 C ATOM 244 CG2 VAL A 16 7.392 -11.995 1.540 1.00 0.00 C ATOM 0 H VAL A 16 7.260 -10.396 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 16 7.472 -13.202 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 16 5.509 -11.429 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.153 -13.432 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.650 -13.750 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.200 -14.385 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.035 -11.873 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.089 -12.832 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.899 -11.084 1.222 1.00 0.00 H new ATOM 254 N ILE A 17 4.841 -11.971 -2.351 1.00 0.00 N ATOM 255 CA ILE A 17 3.682 -12.358 -3.220 1.00 0.00 C ATOM 256 C ILE A 17 4.177 -13.055 -4.497 1.00 0.00 C ATOM 257 O ILE A 17 4.016 -14.249 -4.668 1.00 0.00 O ATOM 258 CB ILE A 17 2.868 -11.109 -3.581 1.00 0.00 C ATOM 259 CG1 ILE A 17 2.731 -10.234 -2.337 1.00 0.00 C ATOM 260 CG2 ILE A 17 1.478 -11.528 -4.061 1.00 0.00 C ATOM 261 CD1 ILE A 17 1.853 -9.015 -2.636 1.00 0.00 C ATOM 0 H ILE A 17 5.035 -10.971 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 17 3.047 -13.054 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 17 3.372 -10.555 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.295 -10.813 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.716 -9.908 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.899 -10.641 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.573 -12.166 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.969 -12.076 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.765 -8.401 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.306 -8.428 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.863 -9.347 -2.947 1.00 0.00 H new ATOM 273 N GLU A 18 4.782 -12.322 -5.397 1.00 0.00 N ATOM 274 CA GLU A 18 5.289 -12.949 -6.656 1.00 0.00 C ATOM 275 C GLU A 18 6.046 -14.227 -6.299 1.00 0.00 C ATOM 276 O GLU A 18 6.105 -15.168 -7.065 1.00 0.00 O ATOM 277 CB GLU A 18 6.228 -11.960 -7.372 1.00 0.00 C ATOM 278 CG GLU A 18 5.786 -10.529 -7.051 1.00 0.00 C ATOM 279 CD GLU A 18 6.354 -9.562 -8.092 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.567 -9.483 -8.197 1.00 0.00 O ATOM 281 OE2 GLU A 18 5.567 -8.921 -8.768 1.00 0.00 O ATOM 0 H GLU A 18 4.947 -11.319 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 18 4.458 -13.193 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.257 -12.117 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.202 -12.129 -8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.698 -10.469 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.129 -10.248 -6.055 1.00 0.00 H new ATOM 288 N LYS A 19 6.617 -14.256 -5.125 1.00 0.00 N ATOM 289 CA LYS A 19 7.374 -15.468 -4.677 1.00 0.00 C ATOM 290 C LYS A 19 6.490 -16.306 -3.738 1.00 0.00 C ATOM 291 O LYS A 19 6.884 -17.364 -3.290 1.00 0.00 O ATOM 292 CB LYS A 19 8.673 -15.027 -3.955 1.00 0.00 C ATOM 293 CG LYS A 19 9.879 -15.147 -4.901 1.00 0.00 C ATOM 294 CD LYS A 19 9.742 -14.159 -6.075 1.00 0.00 C ATOM 295 CE LYS A 19 10.077 -12.729 -5.627 1.00 0.00 C ATOM 296 NZ LYS A 19 10.499 -11.924 -6.809 1.00 0.00 N ATOM 0 H LYS A 19 6.593 -13.490 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 19 7.643 -16.077 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.574 -13.998 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.833 -15.645 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.800 -14.946 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.951 -16.166 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.407 -14.456 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.726 -14.193 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.208 -12.272 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.873 -12.747 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.726 -10.955 -6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.339 -12.357 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.726 -11.897 -7.504 1.00 0.00 H new ATOM 310 N ALA A 20 5.292 -15.860 -3.454 1.00 0.00 N ATOM 311 CA ALA A 20 4.395 -16.661 -2.569 1.00 0.00 C ATOM 312 C ALA A 20 4.198 -18.030 -3.202 1.00 0.00 C ATOM 313 O ALA A 20 4.523 -19.049 -2.635 1.00 0.00 O ATOM 314 CB ALA A 20 3.028 -15.977 -2.426 1.00 0.00 C ATOM 0 H ALA A 20 4.899 -14.982 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 20 4.847 -16.749 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.388 -16.575 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.161 -14.986 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.564 -15.883 -3.408 1.00 0.00 H new ATOM 320 N ASP A 21 3.666 -18.047 -4.383 1.00 0.00 N ATOM 321 CA ASP A 21 3.437 -19.341 -5.087 1.00 0.00 C ATOM 322 C ASP A 21 2.318 -20.144 -4.394 1.00 0.00 C ATOM 323 O ASP A 21 1.865 -21.144 -4.916 1.00 0.00 O ATOM 324 CB ASP A 21 4.741 -20.153 -5.119 1.00 0.00 C ATOM 325 CG ASP A 21 5.933 -19.206 -5.269 1.00 0.00 C ATOM 326 OD1 ASP A 21 5.867 -18.332 -6.119 1.00 0.00 O ATOM 327 OD2 ASP A 21 6.891 -19.372 -4.533 1.00 0.00 O ATOM 0 H ASP A 21 3.376 -17.217 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 21 3.123 -19.135 -6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.840 -20.736 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.720 -20.861 -5.947 1.00 0.00 H new ATOM 332 N ASN A 22 1.836 -19.705 -3.247 1.00 0.00 N ATOM 333 CA ASN A 22 0.711 -20.447 -2.570 1.00 0.00 C ATOM 334 C ASN A 22 -0.240 -19.446 -1.912 1.00 0.00 C ATOM 335 O ASN A 22 0.173 -18.443 -1.374 1.00 0.00 O ATOM 336 CB ASN A 22 1.218 -21.414 -1.490 1.00 0.00 C ATOM 337 CG ASN A 22 2.543 -21.997 -1.913 1.00 0.00 C ATOM 338 OD1 ASN A 22 3.523 -21.189 -2.114 1.00 0.00 O flip ATOM 339 ND2 ASN A 22 2.686 -23.194 -2.064 1.00 0.00 N flip ATOM 0 H ASN A 22 2.168 -18.875 -2.755 1.00 0.00 H new ATOM 0 HA ASN A 22 0.201 -21.027 -3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.327 -20.890 -0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.492 -22.212 -1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.902 -23.826 -1.902 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.590 -23.567 -2.353 1.00 0.00 H new ATOM 346 N ALA A 23 -1.508 -19.730 -1.947 1.00 0.00 N ATOM 347 CA ALA A 23 -2.515 -18.815 -1.332 1.00 0.00 C ATOM 348 C ALA A 23 -2.185 -18.540 0.137 1.00 0.00 C ATOM 349 O ALA A 23 -2.542 -17.512 0.671 1.00 0.00 O ATOM 350 CB ALA A 23 -3.897 -19.466 -1.417 1.00 0.00 C ATOM 0 H ALA A 23 -1.899 -20.567 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.500 -17.870 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.639 -18.804 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.152 -19.644 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.886 -20.414 -0.880 1.00 0.00 H new ATOM 356 N ALA A 24 -1.528 -19.449 0.801 1.00 0.00 N ATOM 357 CA ALA A 24 -1.213 -19.239 2.245 1.00 0.00 C ATOM 358 C ALA A 24 -0.272 -18.042 2.431 1.00 0.00 C ATOM 359 O ALA A 24 -0.527 -17.162 3.230 1.00 0.00 O ATOM 360 CB ALA A 24 -0.546 -20.498 2.797 1.00 0.00 C ATOM 0 H ALA A 24 -1.195 -20.329 0.408 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.140 -19.035 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.312 -20.353 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.223 -21.346 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.373 -20.694 2.245 1.00 0.00 H new ATOM 366 N GLN A 25 0.819 -18.008 1.724 1.00 0.00 N ATOM 367 CA GLN A 25 1.779 -16.882 1.881 1.00 0.00 C ATOM 368 C GLN A 25 1.178 -15.572 1.350 1.00 0.00 C ATOM 369 O GLN A 25 1.577 -14.498 1.754 1.00 0.00 O ATOM 370 CB GLN A 25 3.065 -17.214 1.120 1.00 0.00 C ATOM 371 CG GLN A 25 3.394 -18.702 1.291 1.00 0.00 C ATOM 372 CD GLN A 25 4.846 -18.959 0.888 1.00 0.00 C ATOM 373 OE1 GLN A 25 5.183 -18.851 -0.366 1.00 0.00 O flip ATOM 374 NE2 GLN A 25 5.679 -19.259 1.720 1.00 0.00 N flip ATOM 0 H GLN A 25 1.090 -18.715 1.040 1.00 0.00 H new ATOM 0 HA GLN A 25 1.998 -16.747 2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.946 -16.977 0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.888 -16.604 1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.235 -19.003 2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.724 -19.305 0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.413 -19.343 2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.645 -19.427 1.437 1.00 0.00 H new ATOM 383 N VAL A 26 0.228 -15.637 0.452 1.00 0.00 N ATOM 384 CA VAL A 26 -0.369 -14.367 -0.077 1.00 0.00 C ATOM 385 C VAL A 26 -1.212 -13.721 1.018 1.00 0.00 C ATOM 386 O VAL A 26 -1.082 -12.541 1.279 1.00 0.00 O ATOM 387 CB VAL A 26 -1.248 -14.639 -1.309 1.00 0.00 C ATOM 388 CG1 VAL A 26 -1.805 -13.314 -1.880 1.00 0.00 C ATOM 389 CG2 VAL A 26 -0.410 -15.335 -2.396 1.00 0.00 C ATOM 0 H VAL A 26 -0.157 -16.499 0.065 1.00 0.00 H new ATOM 0 HA VAL A 26 0.439 -13.699 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.078 -15.278 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.425 -13.525 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.406 -12.814 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.978 -12.667 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.034 -15.527 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.423 -14.692 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.025 -16.279 -2.010 1.00 0.00 H new ATOM 399 N LYS A 27 -2.066 -14.458 1.686 1.00 0.00 N ATOM 400 CA LYS A 27 -2.861 -13.814 2.762 1.00 0.00 C ATOM 401 C LYS A 27 -1.865 -13.170 3.701 1.00 0.00 C ATOM 402 O LYS A 27 -1.898 -11.992 3.990 1.00 0.00 O ATOM 403 CB LYS A 27 -3.612 -14.866 3.571 1.00 0.00 C ATOM 404 CG LYS A 27 -4.748 -15.528 2.753 1.00 0.00 C ATOM 405 CD LYS A 27 -4.695 -17.047 2.968 1.00 0.00 C ATOM 406 CE LYS A 27 -4.852 -17.374 4.461 1.00 0.00 C ATOM 407 NZ LYS A 27 -5.494 -18.709 4.619 1.00 0.00 N ATOM 0 H LYS A 27 -2.240 -15.452 1.535 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.570 -13.108 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.913 -15.632 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.031 -14.404 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.716 -15.136 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.637 -15.293 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.487 -17.531 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.748 -17.442 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.877 -17.369 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.456 -16.609 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.416 -19.017 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.498 -18.645 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.017 -19.399 4.003 1.00 0.00 H new ATOM 421 N ASP A 28 -0.966 -13.981 4.164 1.00 0.00 N ATOM 422 CA ASP A 28 0.084 -13.510 5.092 1.00 0.00 C ATOM 423 C ASP A 28 0.784 -12.289 4.496 1.00 0.00 C ATOM 424 O ASP A 28 1.143 -11.363 5.196 1.00 0.00 O ATOM 425 CB ASP A 28 1.109 -14.631 5.268 1.00 0.00 C ATOM 426 CG ASP A 28 0.393 -15.912 5.704 1.00 0.00 C ATOM 427 OD1 ASP A 28 -0.821 -15.955 5.596 1.00 0.00 O ATOM 428 OD2 ASP A 28 1.073 -16.828 6.137 1.00 0.00 O ATOM 0 H ASP A 28 -0.915 -14.973 3.932 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.360 -13.241 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.643 -14.800 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.852 -14.345 6.012 1.00 0.00 H new ATOM 433 N ALA A 29 0.992 -12.287 3.210 1.00 0.00 N ATOM 434 CA ALA A 29 1.683 -11.134 2.575 1.00 0.00 C ATOM 435 C ALA A 29 0.782 -9.894 2.599 1.00 0.00 C ATOM 436 O ALA A 29 1.103 -8.897 3.215 1.00 0.00 O ATOM 437 CB ALA A 29 2.039 -11.475 1.128 1.00 0.00 C ATOM 0 H ALA A 29 0.714 -13.033 2.573 1.00 0.00 H new ATOM 0 HA ALA A 29 2.594 -10.923 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.545 -10.626 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.698 -12.343 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.128 -11.699 0.572 1.00 0.00 H new ATOM 443 N LEU A 30 -0.334 -9.939 1.918 1.00 0.00 N ATOM 444 CA LEU A 30 -1.238 -8.752 1.894 1.00 0.00 C ATOM 445 C LEU A 30 -1.696 -8.415 3.316 1.00 0.00 C ATOM 446 O LEU A 30 -2.066 -7.295 3.605 1.00 0.00 O ATOM 447 CB LEU A 30 -2.467 -9.048 1.028 1.00 0.00 C ATOM 448 CG LEU A 30 -2.058 -9.339 -0.425 1.00 0.00 C ATOM 449 CD1 LEU A 30 -3.322 -9.637 -1.250 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.323 -8.124 -1.025 1.00 0.00 C ATOM 0 H LEU A 30 -0.657 -10.743 1.380 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.693 -7.906 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.007 -9.903 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.149 -8.198 1.055 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.388 -10.199 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.042 -9.845 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.834 -10.504 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.987 -8.774 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.039 -8.343 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.981 -7.255 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.429 -7.914 -0.438 1.00 0.00 H new ATOM 462 N THR A 31 -1.673 -9.367 4.208 1.00 0.00 N ATOM 463 CA THR A 31 -2.105 -9.085 5.608 1.00 0.00 C ATOM 464 C THR A 31 -1.181 -8.030 6.208 1.00 0.00 C ATOM 465 O THR A 31 -1.613 -7.082 6.835 1.00 0.00 O ATOM 466 CB THR A 31 -1.988 -10.363 6.441 1.00 0.00 C ATOM 467 OG1 THR A 31 -2.923 -11.322 5.969 1.00 0.00 O ATOM 468 CG2 THR A 31 -2.276 -10.057 7.913 1.00 0.00 C ATOM 0 H THR A 31 -1.375 -10.326 4.030 1.00 0.00 H new ATOM 0 HA THR A 31 -3.136 -8.732 5.609 1.00 0.00 H new ATOM 0 HB THR A 31 -0.976 -10.758 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.795 -11.457 5.007 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.190 -10.972 8.498 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.558 -9.324 8.279 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.285 -9.657 8.011 1.00 0.00 H new ATOM 476 N LYS A 32 0.091 -8.205 6.023 1.00 0.00 N ATOM 477 CA LYS A 32 1.075 -7.244 6.578 1.00 0.00 C ATOM 478 C LYS A 32 1.021 -5.934 5.782 1.00 0.00 C ATOM 479 O LYS A 32 1.292 -4.872 6.303 1.00 0.00 O ATOM 480 CB LYS A 32 2.464 -7.875 6.471 1.00 0.00 C ATOM 481 CG LYS A 32 2.699 -8.826 7.646 1.00 0.00 C ATOM 482 CD LYS A 32 4.121 -9.382 7.569 1.00 0.00 C ATOM 483 CE LYS A 32 4.361 -10.338 8.738 1.00 0.00 C ATOM 484 NZ LYS A 32 3.914 -9.695 10.005 1.00 0.00 N ATOM 0 H LYS A 32 0.497 -8.983 5.504 1.00 0.00 H new ATOM 0 HA LYS A 32 0.848 -7.021 7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.554 -8.417 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.227 -7.096 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.552 -8.300 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.976 -9.641 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.268 -9.904 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.843 -8.566 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.817 -11.269 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.419 -10.594 8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.368 -10.167 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.181 -8.690 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.881 -9.778 10.091 1.00 0.00 H new ATOM 498 N MET A 33 0.661 -5.991 4.531 1.00 0.00 N ATOM 499 CA MET A 33 0.577 -4.732 3.736 1.00 0.00 C ATOM 500 C MET A 33 -0.528 -3.871 4.312 1.00 0.00 C ATOM 501 O MET A 33 -0.305 -2.784 4.807 1.00 0.00 O ATOM 502 CB MET A 33 0.209 -5.048 2.292 1.00 0.00 C ATOM 503 CG MET A 33 1.358 -5.770 1.601 1.00 0.00 C ATOM 504 SD MET A 33 1.198 -5.590 -0.194 1.00 0.00 S ATOM 505 CE MET A 33 1.640 -3.833 -0.317 1.00 0.00 C ATOM 0 H MET A 33 0.423 -6.845 4.027 1.00 0.00 H new ATOM 0 HA MET A 33 1.540 -4.223 3.772 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.688 -5.667 2.265 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.024 -4.126 1.759 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.311 -5.360 1.934 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.353 -6.826 1.873 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.206 -3.664 -1.233 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.732 -3.230 -0.335 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.247 -3.549 0.543 1.00 0.00 H new ATOM 515 N ARG A 34 -1.729 -4.365 4.245 1.00 0.00 N ATOM 516 CA ARG A 34 -2.881 -3.595 4.784 1.00 0.00 C ATOM 517 C ARG A 34 -2.518 -3.150 6.196 1.00 0.00 C ATOM 518 O ARG A 34 -3.034 -2.179 6.712 1.00 0.00 O ATOM 519 CB ARG A 34 -4.142 -4.484 4.802 1.00 0.00 C ATOM 520 CG ARG A 34 -5.420 -3.627 4.990 1.00 0.00 C ATOM 521 CD ARG A 34 -6.615 -4.288 4.282 1.00 0.00 C ATOM 522 NE ARG A 34 -7.809 -3.413 4.406 1.00 0.00 N ATOM 523 CZ ARG A 34 -8.486 -3.384 5.523 1.00 0.00 C ATOM 524 NH1 ARG A 34 -8.089 -4.094 6.543 1.00 0.00 N ATOM 525 NH2 ARG A 34 -9.558 -2.642 5.624 1.00 0.00 N ATOM 0 H ARG A 34 -1.964 -5.271 3.839 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.093 -2.726 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.209 -5.045 3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.066 -5.213 5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.636 -3.512 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.258 -2.627 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.381 -4.456 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.818 -5.264 4.723 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.101 -2.834 3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.251 -4.671 6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.617 -4.072 7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.868 -2.083 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.084 -2.622 6.498 1.00 0.00 H new ATOM 539 N ALA A 35 -1.601 -3.850 6.809 1.00 0.00 N ATOM 540 CA ALA A 35 -1.162 -3.469 8.180 1.00 0.00 C ATOM 541 C ALA A 35 -0.260 -2.232 8.085 1.00 0.00 C ATOM 542 O ALA A 35 -0.541 -1.202 8.664 1.00 0.00 O ATOM 543 CB ALA A 35 -0.395 -4.632 8.825 1.00 0.00 C ATOM 0 H ALA A 35 -1.137 -4.670 6.418 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.032 -3.242 8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.077 -4.346 9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.043 -5.506 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.480 -4.870 8.221 1.00 0.00 H new ATOM 549 N ALA A 36 0.824 -2.326 7.357 1.00 0.00 N ATOM 550 CA ALA A 36 1.735 -1.151 7.232 1.00 0.00 C ATOM 551 C ALA A 36 0.997 0.001 6.551 1.00 0.00 C ATOM 552 O ALA A 36 1.256 1.158 6.817 1.00 0.00 O ATOM 553 CB ALA A 36 2.959 -1.537 6.401 1.00 0.00 C ATOM 0 H ALA A 36 1.115 -3.160 6.847 1.00 0.00 H new ATOM 0 HA ALA A 36 2.056 -0.837 8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.623 -0.678 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.488 -2.355 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.639 -1.854 5.408 1.00 0.00 H new ATOM 559 N ALA A 37 0.074 -0.301 5.681 1.00 0.00 N ATOM 560 CA ALA A 37 -0.678 0.785 4.995 1.00 0.00 C ATOM 561 C ALA A 37 -1.379 1.641 6.049 1.00 0.00 C ATOM 562 O ALA A 37 -1.364 2.858 5.993 1.00 0.00 O ATOM 563 CB ALA A 37 -1.720 0.166 4.060 1.00 0.00 C ATOM 0 H ALA A 37 -0.191 -1.250 5.416 1.00 0.00 H new ATOM 0 HA ALA A 37 0.006 1.403 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.273 0.959 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.219 -0.456 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.411 -0.446 4.640 1.00 0.00 H new ATOM 569 N LEU A 38 -1.987 1.014 7.016 1.00 0.00 N ATOM 570 CA LEU A 38 -2.684 1.783 8.081 1.00 0.00 C ATOM 571 C LEU A 38 -1.656 2.590 8.874 1.00 0.00 C ATOM 572 O LEU A 38 -1.940 3.669 9.354 1.00 0.00 O ATOM 573 CB LEU A 38 -3.402 0.809 9.024 1.00 0.00 C ATOM 574 CG LEU A 38 -4.591 0.142 8.300 1.00 0.00 C ATOM 575 CD1 LEU A 38 -4.895 -1.215 8.945 1.00 0.00 C ATOM 576 CD2 LEU A 38 -5.838 1.030 8.401 1.00 0.00 C ATOM 0 H LEU A 38 -2.031 -0.000 7.114 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.412 2.458 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.704 0.047 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.757 1.341 9.907 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.327 0.004 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.735 -1.682 8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.019 -1.859 8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.148 -1.070 9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.670 0.549 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.096 1.177 9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.635 1.996 7.938 1.00 0.00 H new ATOM 588 N ASP A 39 -0.457 2.081 9.014 1.00 0.00 N ATOM 589 CA ASP A 39 0.584 2.831 9.775 1.00 0.00 C ATOM 590 C ASP A 39 1.266 3.835 8.838 1.00 0.00 C ATOM 591 O ASP A 39 1.821 4.825 9.269 1.00 0.00 O ATOM 592 CB ASP A 39 1.618 1.835 10.325 1.00 0.00 C ATOM 593 CG ASP A 39 2.352 2.448 11.521 1.00 0.00 C ATOM 594 OD1 ASP A 39 1.876 2.280 12.632 1.00 0.00 O ATOM 595 OD2 ASP A 39 3.379 3.070 11.307 1.00 0.00 O ATOM 0 H ASP A 39 -0.157 1.183 8.635 1.00 0.00 H new ATOM 0 HA ASP A 39 0.128 3.370 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.122 0.912 10.626 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.333 1.572 9.545 1.00 0.00 H new ATOM 600 N ALA A 40 1.230 3.577 7.557 1.00 0.00 N ATOM 601 CA ALA A 40 1.874 4.506 6.581 1.00 0.00 C ATOM 602 C ALA A 40 1.214 5.885 6.644 1.00 0.00 C ATOM 603 O ALA A 40 1.858 6.894 6.456 1.00 0.00 O ATOM 604 CB ALA A 40 1.734 3.936 5.168 1.00 0.00 C ATOM 0 H ALA A 40 0.781 2.760 7.143 1.00 0.00 H new ATOM 0 HA ALA A 40 2.929 4.609 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.204 4.613 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.221 2.962 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.678 3.826 4.923 1.00 0.00 H new ATOM 610 N GLN A 41 -0.068 5.934 6.899 1.00 0.00 N ATOM 611 CA GLN A 41 -0.784 7.246 6.974 1.00 0.00 C ATOM 612 C GLN A 41 0.085 8.278 7.695 1.00 0.00 C ATOM 613 O GLN A 41 0.480 9.281 7.135 1.00 0.00 O ATOM 614 CB GLN A 41 -2.078 7.050 7.777 1.00 0.00 C ATOM 615 CG GLN A 41 -2.955 8.319 7.716 1.00 0.00 C ATOM 616 CD GLN A 41 -2.580 9.288 8.844 1.00 0.00 C ATOM 617 OE1 GLN A 41 -3.216 9.303 9.880 1.00 0.00 O ATOM 618 NE2 GLN A 41 -1.576 10.108 8.679 1.00 0.00 N ATOM 0 H GLN A 41 -0.655 5.116 7.060 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.002 7.598 5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.632 6.199 7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.837 6.818 8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.828 8.809 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.007 8.045 7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.044 10.094 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.325 10.762 9.420 1.00 0.00 H new ATOM 627 N LYS A 42 0.377 8.034 8.935 1.00 0.00 N ATOM 628 CA LYS A 42 1.210 8.988 9.718 1.00 0.00 C ATOM 629 C LYS A 42 2.567 9.204 9.032 1.00 0.00 C ATOM 630 O LYS A 42 3.408 9.926 9.531 1.00 0.00 O ATOM 631 CB LYS A 42 1.466 8.410 11.113 1.00 0.00 C ATOM 632 CG LYS A 42 0.169 7.875 11.732 1.00 0.00 C ATOM 633 CD LYS A 42 -0.795 9.029 11.988 1.00 0.00 C ATOM 634 CE LYS A 42 -1.931 8.556 12.893 1.00 0.00 C ATOM 635 NZ LYS A 42 -2.965 9.623 12.990 1.00 0.00 N ATOM 0 H LYS A 42 0.073 7.207 9.449 1.00 0.00 H new ATOM 0 HA LYS A 42 0.678 9.937 9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.201 7.607 11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.890 9.180 11.757 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.290 7.147 11.064 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.387 7.357 12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.267 9.861 12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.197 9.396 11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.372 7.643 12.494 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.545 8.317 13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.731 9.308 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.535 10.489 13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.352 9.818 12.045 1.00 0.00 H new ATOM 649 N ALA A 43 2.801 8.582 7.907 1.00 0.00 N ATOM 650 CA ALA A 43 4.121 8.755 7.221 1.00 0.00 C ATOM 651 C ALA A 43 4.124 10.020 6.355 1.00 0.00 C ATOM 652 O ALA A 43 3.130 10.389 5.759 1.00 0.00 O ATOM 653 CB ALA A 43 4.409 7.539 6.335 1.00 0.00 C ATOM 0 H ALA A 43 2.142 7.965 7.433 1.00 0.00 H new ATOM 0 HA ALA A 43 4.892 8.849 7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.370 7.670 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.438 6.639 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.624 7.441 5.585 1.00 0.00 H new ATOM 659 N THR A 44 5.254 10.668 6.275 1.00 0.00 N ATOM 660 CA THR A 44 5.375 11.898 5.443 1.00 0.00 C ATOM 661 C THR A 44 6.868 12.117 5.133 1.00 0.00 C ATOM 662 O THR A 44 7.567 12.766 5.888 1.00 0.00 O ATOM 663 CB THR A 44 4.807 13.105 6.218 1.00 0.00 C ATOM 664 OG1 THR A 44 3.716 12.671 7.018 1.00 0.00 O ATOM 665 CG2 THR A 44 4.324 14.193 5.248 1.00 0.00 C ATOM 0 H THR A 44 6.110 10.393 6.757 1.00 0.00 H new ATOM 0 HA THR A 44 4.814 11.791 4.515 1.00 0.00 H new ATOM 0 HB THR A 44 5.593 13.523 6.847 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.351 13.433 7.514 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.927 15.035 5.815 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.159 14.530 4.634 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.542 13.787 4.606 1.00 0.00 H new ATOM 673 N PRO A 45 7.371 11.571 4.044 1.00 0.00 N ATOM 674 CA PRO A 45 8.810 11.722 3.688 1.00 0.00 C ATOM 675 C PRO A 45 9.253 13.194 3.654 1.00 0.00 C ATOM 676 O PRO A 45 10.298 13.526 4.181 1.00 0.00 O ATOM 677 CB PRO A 45 8.963 11.031 2.317 1.00 0.00 C ATOM 678 CG PRO A 45 7.733 10.176 2.150 1.00 0.00 C ATOM 679 CD PRO A 45 6.637 10.765 3.054 1.00 0.00 C ATOM 0 HA PRO A 45 9.456 11.266 4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.041 11.765 1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.868 10.425 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.409 10.169 1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.944 9.143 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.938 11.377 2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.054 9.979 3.535 1.00 0.00 H new ATOM 687 N PRO A 46 8.476 14.089 3.079 1.00 0.00 N ATOM 688 CA PRO A 46 8.842 15.523 3.051 1.00 0.00 C ATOM 689 C PRO A 46 8.395 16.218 4.341 1.00 0.00 C ATOM 690 O PRO A 46 9.118 16.256 5.316 1.00 0.00 O ATOM 691 CB PRO A 46 8.084 16.062 1.836 1.00 0.00 C ATOM 692 CG PRO A 46 6.850 15.215 1.741 1.00 0.00 C ATOM 693 CD PRO A 46 7.183 13.858 2.396 1.00 0.00 C ATOM 0 HA PRO A 46 9.917 15.692 2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.831 17.115 1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.685 15.986 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.013 15.694 2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.555 15.079 0.701 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.409 13.556 3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.262 13.066 1.652 1.00 0.00 H new ATOM 701 N LYS A 47 7.207 16.754 4.363 1.00 0.00 N ATOM 702 CA LYS A 47 6.715 17.430 5.601 1.00 0.00 C ATOM 703 C LYS A 47 5.268 17.899 5.398 1.00 0.00 C ATOM 704 O LYS A 47 4.975 18.677 4.512 1.00 0.00 O ATOM 705 CB LYS A 47 7.616 18.645 5.946 1.00 0.00 C ATOM 706 CG LYS A 47 8.337 19.160 4.687 1.00 0.00 C ATOM 707 CD LYS A 47 8.711 20.634 4.866 1.00 0.00 C ATOM 708 CE LYS A 47 9.388 21.149 3.596 1.00 0.00 C ATOM 709 NZ LYS A 47 9.786 22.574 3.784 1.00 0.00 N ATOM 0 H LYS A 47 6.554 16.755 3.579 1.00 0.00 H new ATOM 0 HA LYS A 47 6.752 16.719 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.011 19.443 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.349 18.358 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.234 18.568 4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.693 19.043 3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.819 21.223 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.380 20.749 5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.265 20.543 3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.709 21.059 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.246 22.923 2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.941 23.147 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.448 22.647 4.582 1.00 0.00 H new ATOM 723 N LEU A 48 4.364 17.451 6.235 1.00 0.00 N ATOM 724 CA LEU A 48 2.947 17.893 6.112 1.00 0.00 C ATOM 725 C LEU A 48 2.838 19.274 6.763 1.00 0.00 C ATOM 726 O LEU A 48 3.828 19.857 7.157 1.00 0.00 O ATOM 727 CB LEU A 48 2.018 16.878 6.833 1.00 0.00 C ATOM 728 CG LEU A 48 1.148 16.117 5.811 1.00 0.00 C ATOM 729 CD1 LEU A 48 0.630 14.819 6.437 1.00 0.00 C ATOM 730 CD2 LEU A 48 -0.044 16.993 5.403 1.00 0.00 C ATOM 0 H LEU A 48 4.550 16.799 6.997 1.00 0.00 H new ATOM 0 HA LEU A 48 2.644 17.945 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.618 16.171 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.379 17.403 7.543 1.00 0.00 H new ATOM 0 HG LEU A 48 1.749 15.881 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.016 14.285 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.474 14.194 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.031 15.053 7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.660 16.456 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.641 17.229 6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.320 17.917 4.954 1.00 0.00 H new ATOM 742 N GLU A 49 1.655 19.814 6.865 1.00 0.00 N ATOM 743 CA GLU A 49 1.520 21.164 7.476 1.00 0.00 C ATOM 744 C GLU A 49 2.513 22.099 6.789 1.00 0.00 C ATOM 745 O GLU A 49 2.864 23.145 7.297 1.00 0.00 O ATOM 746 CB GLU A 49 1.829 21.088 8.980 1.00 0.00 C ATOM 747 CG GLU A 49 0.596 20.594 9.740 1.00 0.00 C ATOM 748 CD GLU A 49 0.181 19.223 9.205 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.736 18.238 9.664 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.686 19.180 8.348 1.00 0.00 O ATOM 0 H GLU A 49 0.784 19.383 6.555 1.00 0.00 H new ATOM 0 HA GLU A 49 0.503 21.536 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.668 20.415 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.126 22.070 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.815 20.529 10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.223 21.304 9.625 1.00 0.00 H new ATOM 757 N ASP A 50 2.971 21.711 5.630 1.00 0.00 N ATOM 758 CA ASP A 50 3.952 22.551 4.882 1.00 0.00 C ATOM 759 C ASP A 50 3.757 22.370 3.378 1.00 0.00 C ATOM 760 O ASP A 50 3.570 23.325 2.651 1.00 0.00 O ATOM 761 CB ASP A 50 5.377 22.140 5.268 1.00 0.00 C ATOM 762 CG ASP A 50 5.651 22.544 6.719 1.00 0.00 C ATOM 763 OD1 ASP A 50 5.751 23.731 6.974 1.00 0.00 O ATOM 764 OD2 ASP A 50 5.756 21.656 7.550 1.00 0.00 O ATOM 0 H ASP A 50 2.706 20.842 5.165 1.00 0.00 H new ATOM 0 HA ASP A 50 3.792 23.598 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.501 21.064 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.097 22.618 4.604 1.00 0.00 H new ATOM 769 N LYS A 51 3.802 21.162 2.898 1.00 0.00 N ATOM 770 CA LYS A 51 3.624 20.948 1.437 1.00 0.00 C ATOM 771 C LYS A 51 2.197 21.344 1.037 1.00 0.00 C ATOM 772 O LYS A 51 1.512 22.027 1.770 1.00 0.00 O ATOM 773 CB LYS A 51 3.908 19.471 1.104 1.00 0.00 C ATOM 774 CG LYS A 51 2.769 18.531 1.606 1.00 0.00 C ATOM 775 CD LYS A 51 2.461 17.445 0.557 1.00 0.00 C ATOM 776 CE LYS A 51 3.631 16.456 0.461 1.00 0.00 C ATOM 777 NZ LYS A 51 3.440 15.369 1.464 1.00 0.00 N ATOM 0 H LYS A 51 3.953 20.317 3.449 1.00 0.00 H new ATOM 0 HA LYS A 51 4.322 21.568 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.023 19.358 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.852 19.172 1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.063 18.064 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.871 19.115 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.548 16.915 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.284 17.907 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.685 16.035 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.574 16.972 0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.956 14.520 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.803 15.681 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.427 15.147 1.547 1.00 0.00 H new ATOM 791 N SER A 52 1.738 20.913 -0.107 1.00 0.00 N ATOM 792 CA SER A 52 0.354 21.256 -0.530 1.00 0.00 C ATOM 793 C SER A 52 -0.640 20.325 0.199 1.00 0.00 C ATOM 794 O SER A 52 -0.621 19.129 -0.014 1.00 0.00 O ATOM 795 CB SER A 52 0.227 21.062 -2.046 1.00 0.00 C ATOM 796 OG SER A 52 0.704 22.227 -2.706 1.00 0.00 O ATOM 0 H SER A 52 2.263 20.338 -0.766 1.00 0.00 H new ATOM 0 HA SER A 52 0.133 22.293 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.799 20.190 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.813 20.876 -2.315 1.00 0.00 H new ATOM 0 HG SER A 52 0.627 22.108 -3.676 1.00 0.00 H new ATOM 802 N PRO A 53 -1.504 20.847 1.047 1.00 0.00 N ATOM 803 CA PRO A 53 -2.497 20.015 1.790 1.00 0.00 C ATOM 804 C PRO A 53 -3.772 19.808 0.976 1.00 0.00 C ATOM 805 O PRO A 53 -4.580 18.945 1.260 1.00 0.00 O ATOM 806 CB PRO A 53 -2.796 20.884 3.006 1.00 0.00 C ATOM 807 CG PRO A 53 -2.780 22.266 2.448 1.00 0.00 C ATOM 808 CD PRO A 53 -1.654 22.276 1.406 1.00 0.00 C ATOM 0 HA PRO A 53 -2.128 19.016 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.762 20.639 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.046 20.756 3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.738 22.516 1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.597 23.003 3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.915 22.883 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.731 22.686 1.816 1.00 0.00 H new ATOM 816 N ASP A 54 -3.957 20.625 -0.022 1.00 0.00 N ATOM 817 CA ASP A 54 -5.177 20.538 -0.867 1.00 0.00 C ATOM 818 C ASP A 54 -6.357 21.132 -0.074 1.00 0.00 C ATOM 819 O ASP A 54 -6.261 21.333 1.121 1.00 0.00 O ATOM 820 CB ASP A 54 -5.449 19.069 -1.248 1.00 0.00 C ATOM 821 CG ASP A 54 -6.151 18.989 -2.610 1.00 0.00 C ATOM 822 OD1 ASP A 54 -5.823 19.784 -3.475 1.00 0.00 O ATOM 823 OD2 ASP A 54 -7.001 18.128 -2.765 1.00 0.00 O ATOM 0 H ASP A 54 -3.303 21.360 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.043 21.100 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.510 18.516 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.068 18.598 -0.485 1.00 0.00 H new ATOM 828 N SER A 55 -7.456 21.449 -0.720 1.00 0.00 N ATOM 829 CA SER A 55 -8.605 22.061 0.019 1.00 0.00 C ATOM 830 C SER A 55 -9.444 21.007 0.765 1.00 0.00 C ATOM 831 O SER A 55 -9.781 21.220 1.906 1.00 0.00 O ATOM 832 CB SER A 55 -9.494 22.850 -0.965 1.00 0.00 C ATOM 833 OG SER A 55 -10.866 22.583 -0.700 1.00 0.00 O ATOM 0 H SER A 55 -7.605 21.311 -1.720 1.00 0.00 H new ATOM 0 HA SER A 55 -8.195 22.736 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.298 23.918 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.252 22.572 -1.991 1.00 0.00 H new ATOM 0 HG SER A 55 -11.425 23.088 -1.327 1.00 0.00 H new ATOM 839 N PRO A 56 -9.811 19.911 0.127 1.00 0.00 N ATOM 840 CA PRO A 56 -10.660 18.834 0.746 1.00 0.00 C ATOM 841 C PRO A 56 -10.340 18.505 2.206 1.00 0.00 C ATOM 842 O PRO A 56 -9.977 17.392 2.509 1.00 0.00 O ATOM 843 CB PRO A 56 -10.370 17.628 -0.138 1.00 0.00 C ATOM 844 CG PRO A 56 -10.194 18.221 -1.493 1.00 0.00 C ATOM 845 CD PRO A 56 -9.470 19.558 -1.270 1.00 0.00 C ATOM 0 HA PRO A 56 -11.703 19.149 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.474 17.099 0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.190 16.910 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.611 17.562 -2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.156 18.373 -1.982 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.393 19.458 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.811 20.320 -1.971 1.00 0.00 H new ATOM 853 N GLU A 57 -10.500 19.449 3.107 1.00 0.00 N ATOM 854 CA GLU A 57 -10.221 19.192 4.558 1.00 0.00 C ATOM 855 C GLU A 57 -9.017 18.262 4.688 1.00 0.00 C ATOM 856 O GLU A 57 -8.919 17.478 5.610 1.00 0.00 O ATOM 857 CB GLU A 57 -11.448 18.535 5.197 1.00 0.00 C ATOM 858 CG GLU A 57 -12.670 19.441 5.011 1.00 0.00 C ATOM 859 CD GLU A 57 -13.945 18.646 5.299 1.00 0.00 C ATOM 860 OE1 GLU A 57 -14.259 17.765 4.516 1.00 0.00 O ATOM 861 OE2 GLU A 57 -14.585 18.931 6.297 1.00 0.00 O ATOM 0 H GLU A 57 -10.815 20.396 2.896 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.005 20.133 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.631 17.562 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.269 18.361 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.605 20.299 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.695 19.832 3.994 1.00 0.00 H new ATOM 868 N MET A 58 -8.125 18.321 3.733 1.00 0.00 N ATOM 869 CA MET A 58 -6.941 17.432 3.733 1.00 0.00 C ATOM 870 C MET A 58 -7.409 15.986 3.568 1.00 0.00 C ATOM 871 O MET A 58 -6.622 15.084 3.362 1.00 0.00 O ATOM 872 CB MET A 58 -6.163 17.593 5.036 1.00 0.00 C ATOM 873 CG MET A 58 -6.048 19.084 5.422 1.00 0.00 C ATOM 874 SD MET A 58 -7.253 19.486 6.717 1.00 0.00 S ATOM 875 CE MET A 58 -6.220 20.652 7.646 1.00 0.00 C ATOM 0 H MET A 58 -8.175 18.962 2.941 1.00 0.00 H new ATOM 0 HA MET A 58 -6.281 17.698 2.907 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.662 17.043 5.834 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.168 17.163 4.927 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.039 19.300 5.773 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.221 19.709 4.546 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.778 21.029 8.503 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.320 20.144 7.993 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.940 21.485 7.000 1.00 0.00 H new ATOM 885 N LYS A 59 -8.696 15.778 3.625 1.00 0.00 N ATOM 886 CA LYS A 59 -9.271 14.419 3.457 1.00 0.00 C ATOM 887 C LYS A 59 -8.692 13.788 2.201 1.00 0.00 C ATOM 888 O LYS A 59 -8.376 12.616 2.163 1.00 0.00 O ATOM 889 CB LYS A 59 -10.792 14.572 3.279 1.00 0.00 C ATOM 890 CG LYS A 59 -11.524 13.215 3.461 1.00 0.00 C ATOM 891 CD LYS A 59 -11.771 12.545 2.095 1.00 0.00 C ATOM 892 CE LYS A 59 -11.917 11.028 2.274 1.00 0.00 C ATOM 893 NZ LYS A 59 -10.688 10.483 2.914 1.00 0.00 N ATOM 0 H LYS A 59 -9.386 16.512 3.785 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.042 13.795 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.174 15.293 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.005 14.972 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.928 12.556 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.474 13.374 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.672 12.954 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.944 12.762 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.789 10.806 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.079 10.551 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.527 9.510 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.872 11.075 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.806 10.483 3.947 1.00 0.00 H new ATOM 907 N ASP A 60 -8.566 14.565 1.171 1.00 0.00 N ATOM 908 CA ASP A 60 -8.027 14.036 -0.101 1.00 0.00 C ATOM 909 C ASP A 60 -6.644 13.426 0.155 1.00 0.00 C ATOM 910 O ASP A 60 -6.230 12.501 -0.516 1.00 0.00 O ATOM 911 CB ASP A 60 -7.961 15.190 -1.104 1.00 0.00 C ATOM 912 CG ASP A 60 -7.089 14.797 -2.301 1.00 0.00 C ATOM 913 OD1 ASP A 60 -7.597 14.117 -3.178 1.00 0.00 O ATOM 914 OD2 ASP A 60 -5.932 15.180 -2.319 1.00 0.00 O ATOM 0 H ASP A 60 -8.816 15.554 1.156 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.665 13.252 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.965 15.445 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.552 16.078 -0.622 1.00 0.00 H new ATOM 919 N PHE A 61 -5.947 13.901 1.150 1.00 0.00 N ATOM 920 CA PHE A 61 -4.621 13.312 1.479 1.00 0.00 C ATOM 921 C PHE A 61 -4.882 11.947 2.128 1.00 0.00 C ATOM 922 O PHE A 61 -4.383 10.920 1.709 1.00 0.00 O ATOM 923 CB PHE A 61 -3.899 14.249 2.466 1.00 0.00 C ATOM 924 CG PHE A 61 -2.395 14.082 2.370 1.00 0.00 C ATOM 925 CD1 PHE A 61 -1.704 14.567 1.253 1.00 0.00 C ATOM 926 CD2 PHE A 61 -1.691 13.461 3.412 1.00 0.00 C ATOM 927 CE1 PHE A 61 -0.312 14.430 1.175 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.297 13.328 3.334 1.00 0.00 C ATOM 929 CZ PHE A 61 0.391 13.812 2.217 1.00 0.00 C ATOM 0 H PHE A 61 -6.240 14.673 1.749 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.998 13.192 0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.168 15.284 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.228 14.036 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.245 15.047 0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.222 13.085 4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.219 14.801 0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.245 12.851 4.137 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.464 13.709 2.158 1.00 0.00 H new ATOM 939 N ARG A 62 -5.693 11.954 3.147 1.00 0.00 N ATOM 940 CA ARG A 62 -6.052 10.701 3.860 1.00 0.00 C ATOM 941 C ARG A 62 -6.792 9.755 2.902 1.00 0.00 C ATOM 942 O ARG A 62 -6.672 8.549 2.989 1.00 0.00 O ATOM 943 CB ARG A 62 -6.943 11.076 5.055 1.00 0.00 C ATOM 944 CG ARG A 62 -6.154 11.986 6.040 1.00 0.00 C ATOM 945 CD ARG A 62 -6.856 13.338 6.197 1.00 0.00 C ATOM 946 NE ARG A 62 -6.092 14.185 7.154 1.00 0.00 N ATOM 947 CZ ARG A 62 -6.658 15.227 7.700 1.00 0.00 C ATOM 948 NH1 ARG A 62 -7.885 15.543 7.390 1.00 0.00 N ATOM 949 NH2 ARG A 62 -5.995 15.954 8.558 1.00 0.00 N ATOM 0 H ARG A 62 -6.131 12.795 3.523 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.159 10.187 4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.837 11.593 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.277 10.174 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.072 11.497 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.139 12.137 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.928 13.837 5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.874 13.192 6.557 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.126 13.951 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.404 14.976 6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.325 16.358 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.036 15.708 8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.436 16.768 8.985 1.00 0.00 H new ATOM 963 N HIS A 63 -7.545 10.296 1.977 1.00 0.00 N ATOM 964 CA HIS A 63 -8.281 9.436 0.998 1.00 0.00 C ATOM 965 C HIS A 63 -7.264 8.641 0.192 1.00 0.00 C ATOM 966 O HIS A 63 -7.470 7.491 -0.115 1.00 0.00 O ATOM 967 CB HIS A 63 -9.113 10.338 0.060 1.00 0.00 C ATOM 968 CG HIS A 63 -10.357 9.624 -0.403 1.00 0.00 C ATOM 969 ND1 HIS A 63 -10.915 8.576 0.308 1.00 0.00 N ATOM 970 CD2 HIS A 63 -11.173 9.814 -1.490 1.00 0.00 C ATOM 971 CE1 HIS A 63 -12.012 8.180 -0.345 1.00 0.00 C ATOM 972 NE2 HIS A 63 -12.221 8.899 -1.450 1.00 0.00 N ATOM 0 H HIS A 63 -7.683 11.300 1.857 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.950 8.751 1.518 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.387 11.256 0.580 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.512 10.627 -0.802 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -11.025 10.559 -2.258 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.653 7.375 -0.018 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -12.984 8.799 -2.120 1.00 0.00 H new ATOM 980 N GLY A 64 -6.160 9.231 -0.146 1.00 0.00 N ATOM 981 CA GLY A 64 -5.160 8.469 -0.929 1.00 0.00 C ATOM 982 C GLY A 64 -4.661 7.312 -0.074 1.00 0.00 C ATOM 983 O GLY A 64 -4.331 6.263 -0.579 1.00 0.00 O ATOM 0 H GLY A 64 -5.908 10.193 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.605 8.095 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.330 9.115 -1.215 1.00 0.00 H new ATOM 987 N PHE A 65 -4.632 7.482 1.223 1.00 0.00 N ATOM 988 CA PHE A 65 -4.187 6.364 2.108 1.00 0.00 C ATOM 989 C PHE A 65 -5.384 5.449 2.362 1.00 0.00 C ATOM 990 O PHE A 65 -5.265 4.240 2.368 1.00 0.00 O ATOM 991 CB PHE A 65 -3.668 6.919 3.433 1.00 0.00 C ATOM 992 CG PHE A 65 -2.315 7.544 3.201 1.00 0.00 C ATOM 993 CD1 PHE A 65 -1.201 6.734 2.945 1.00 0.00 C ATOM 994 CD2 PHE A 65 -2.174 8.931 3.235 1.00 0.00 C ATOM 995 CE1 PHE A 65 0.052 7.317 2.722 1.00 0.00 C ATOM 996 CE2 PHE A 65 -0.924 9.513 3.009 1.00 0.00 C ATOM 997 CZ PHE A 65 0.188 8.709 2.752 1.00 0.00 C ATOM 0 H PHE A 65 -4.896 8.341 1.705 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.382 5.807 1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.363 7.659 3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.594 6.122 4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.309 5.660 2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.032 9.556 3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.912 6.693 2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.818 10.587 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.153 9.161 2.576 1.00 0.00 H new ATOM 1007 N ASP A 66 -6.542 6.021 2.546 1.00 0.00 N ATOM 1008 CA ASP A 66 -7.754 5.187 2.769 1.00 0.00 C ATOM 1009 C ASP A 66 -8.075 4.473 1.458 1.00 0.00 C ATOM 1010 O ASP A 66 -8.321 3.282 1.422 1.00 0.00 O ATOM 1011 CB ASP A 66 -8.930 6.087 3.176 1.00 0.00 C ATOM 1012 CG ASP A 66 -10.014 5.248 3.858 1.00 0.00 C ATOM 1013 OD1 ASP A 66 -10.746 4.574 3.151 1.00 0.00 O ATOM 1014 OD2 ASP A 66 -10.095 5.295 5.074 1.00 0.00 O ATOM 0 H ASP A 66 -6.700 7.029 2.551 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.581 4.461 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.584 6.869 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.341 6.584 2.297 1.00 0.00 H new ATOM 1019 N ILE A 67 -8.054 5.199 0.370 1.00 0.00 N ATOM 1020 CA ILE A 67 -8.338 4.573 -0.949 1.00 0.00 C ATOM 1021 C ILE A 67 -7.351 3.417 -1.164 1.00 0.00 C ATOM 1022 O ILE A 67 -7.697 2.376 -1.690 1.00 0.00 O ATOM 1023 CB ILE A 67 -8.160 5.616 -2.071 1.00 0.00 C ATOM 1024 CG1 ILE A 67 -9.282 6.684 -2.000 1.00 0.00 C ATOM 1025 CG2 ILE A 67 -8.176 4.915 -3.438 1.00 0.00 C ATOM 1026 CD1 ILE A 67 -10.569 6.202 -2.699 1.00 0.00 C ATOM 0 H ILE A 67 -7.852 6.198 0.341 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.363 4.202 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.201 6.117 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.499 6.916 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.937 7.607 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.050 5.655 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.362 4.192 -3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.127 4.400 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.333 6.976 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.358 5.995 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.928 5.294 -2.215 1.00 0.00 H new ATOM 1038 N LEU A 68 -6.121 3.601 -0.762 1.00 0.00 N ATOM 1039 CA LEU A 68 -5.097 2.530 -0.937 1.00 0.00 C ATOM 1040 C LEU A 68 -5.553 1.262 -0.211 1.00 0.00 C ATOM 1041 O LEU A 68 -5.509 0.170 -0.742 1.00 0.00 O ATOM 1042 CB LEU A 68 -3.763 3.013 -0.331 1.00 0.00 C ATOM 1043 CG LEU A 68 -2.542 2.297 -0.947 1.00 0.00 C ATOM 1044 CD1 LEU A 68 -2.789 0.793 -1.132 1.00 0.00 C ATOM 1045 CD2 LEU A 68 -2.185 2.934 -2.292 1.00 0.00 C ATOM 0 H LEU A 68 -5.780 4.453 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.968 2.312 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.666 4.088 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.774 2.844 0.746 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.710 2.412 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.904 0.330 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.998 0.337 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.641 0.643 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.322 2.423 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.032 2.847 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.946 3.987 -2.144 1.00 0.00 H new ATOM 1057 N VAL A 69 -5.971 1.410 1.012 1.00 0.00 N ATOM 1058 CA VAL A 69 -6.411 0.246 1.807 1.00 0.00 C ATOM 1059 C VAL A 69 -7.600 -0.422 1.123 1.00 0.00 C ATOM 1060 O VAL A 69 -7.947 -1.544 1.423 1.00 0.00 O ATOM 1061 CB VAL A 69 -6.833 0.741 3.196 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -7.540 -0.376 3.949 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -5.595 1.186 3.986 1.00 0.00 C ATOM 0 H VAL A 69 -6.025 2.305 1.498 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.599 -0.476 1.894 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.513 1.585 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.837 -0.019 4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.425 -0.686 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.865 -1.225 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.899 1.537 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.911 0.344 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.094 1.993 3.452 1.00 0.00 H new ATOM 1073 N GLY A 70 -8.244 0.264 0.223 1.00 0.00 N ATOM 1074 CA GLY A 70 -9.429 -0.334 -0.448 1.00 0.00 C ATOM 1075 C GLY A 70 -8.998 -1.316 -1.536 1.00 0.00 C ATOM 1076 O GLY A 70 -9.553 -2.392 -1.650 1.00 0.00 O ATOM 0 H GLY A 70 -8.003 1.209 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.048 -0.848 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.041 0.455 -0.885 1.00 0.00 H new ATOM 1080 N GLN A 71 -8.021 -0.983 -2.340 1.00 0.00 N ATOM 1081 CA GLN A 71 -7.608 -1.953 -3.391 1.00 0.00 C ATOM 1082 C GLN A 71 -6.891 -3.102 -2.697 1.00 0.00 C ATOM 1083 O GLN A 71 -6.970 -4.242 -3.109 1.00 0.00 O ATOM 1084 CB GLN A 71 -6.738 -1.251 -4.459 1.00 0.00 C ATOM 1085 CG GLN A 71 -5.262 -1.209 -4.051 1.00 0.00 C ATOM 1086 CD GLN A 71 -4.611 -2.572 -4.289 1.00 0.00 C ATOM 1087 OE1 GLN A 71 -3.459 -2.760 -3.970 1.00 0.00 O ATOM 1088 NE2 GLN A 71 -5.309 -3.542 -4.824 1.00 0.00 N ATOM 0 H GLN A 71 -7.504 -0.104 -2.315 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.469 -2.352 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.838 -1.774 -5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.102 -0.235 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.740 -0.443 -4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.175 -0.935 -3.000 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.280 -3.383 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.882 -4.456 -4.972 1.00 0.00 H new ATOM 1097 N ILE A 72 -6.239 -2.817 -1.607 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.573 -3.896 -0.842 1.00 0.00 C ATOM 1099 C ILE A 72 -6.659 -4.698 -0.119 1.00 0.00 C ATOM 1100 O ILE A 72 -6.522 -5.882 0.109 1.00 0.00 O ATOM 1101 CB ILE A 72 -4.588 -3.280 0.171 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -3.439 -2.618 -0.613 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -4.026 -4.378 1.101 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -2.288 -2.245 0.327 1.00 0.00 C ATOM 0 H ILE A 72 -6.140 -1.881 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.010 -4.551 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.100 -2.539 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.079 -3.298 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.805 -1.725 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.331 -3.932 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.845 -4.851 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.504 -5.127 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.487 -1.779 -0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.647 -1.547 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.910 -3.144 0.814 1.00 0.00 H new ATOM 1116 N ASP A 73 -7.736 -4.054 0.256 1.00 0.00 N ATOM 1117 CA ASP A 73 -8.820 -4.784 0.978 1.00 0.00 C ATOM 1118 C ASP A 73 -9.410 -5.878 0.077 1.00 0.00 C ATOM 1119 O ASP A 73 -9.424 -7.046 0.425 1.00 0.00 O ATOM 1120 CB ASP A 73 -9.916 -3.800 1.393 1.00 0.00 C ATOM 1121 CG ASP A 73 -11.102 -4.572 1.980 1.00 0.00 C ATOM 1122 OD1 ASP A 73 -11.862 -5.127 1.204 1.00 0.00 O ATOM 1123 OD2 ASP A 73 -11.227 -4.597 3.193 1.00 0.00 O ATOM 0 H ASP A 73 -7.910 -3.062 0.095 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.402 -5.252 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.527 -3.096 2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.240 -3.215 0.532 1.00 0.00 H new ATOM 1128 N ASP A 74 -9.905 -5.511 -1.072 1.00 0.00 N ATOM 1129 CA ASP A 74 -10.505 -6.525 -1.986 1.00 0.00 C ATOM 1130 C ASP A 74 -9.438 -7.530 -2.413 1.00 0.00 C ATOM 1131 O ASP A 74 -9.731 -8.674 -2.677 1.00 0.00 O ATOM 1132 CB ASP A 74 -11.072 -5.827 -3.224 1.00 0.00 C ATOM 1133 CG ASP A 74 -11.661 -6.870 -4.176 1.00 0.00 C ATOM 1134 OD1 ASP A 74 -12.530 -7.611 -3.747 1.00 0.00 O ATOM 1135 OD2 ASP A 74 -11.232 -6.909 -5.317 1.00 0.00 O ATOM 0 H ASP A 74 -9.920 -4.552 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.306 -7.049 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.841 -5.112 -2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.287 -5.263 -3.727 1.00 0.00 H new ATOM 1140 N ALA A 75 -8.198 -7.130 -2.475 1.00 0.00 N ATOM 1141 CA ALA A 75 -7.147 -8.098 -2.871 1.00 0.00 C ATOM 1142 C ALA A 75 -6.898 -9.041 -1.701 1.00 0.00 C ATOM 1143 O ALA A 75 -6.553 -10.192 -1.882 1.00 0.00 O ATOM 1144 CB ALA A 75 -5.859 -7.357 -3.232 1.00 0.00 C ATOM 0 H ALA A 75 -7.873 -6.185 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.471 -8.664 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.094 -8.077 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.051 -6.678 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.513 -6.787 -2.370 1.00 0.00 H new ATOM 1150 N LEU A 76 -7.101 -8.576 -0.498 1.00 0.00 N ATOM 1151 CA LEU A 76 -6.914 -9.458 0.669 1.00 0.00 C ATOM 1152 C LEU A 76 -7.830 -10.660 0.445 1.00 0.00 C ATOM 1153 O LEU A 76 -7.539 -11.779 0.817 1.00 0.00 O ATOM 1154 CB LEU A 76 -7.337 -8.671 1.937 1.00 0.00 C ATOM 1155 CG LEU A 76 -6.333 -8.896 3.096 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -5.240 -7.806 3.077 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -7.073 -8.852 4.445 1.00 0.00 C ATOM 0 H LEU A 76 -7.388 -7.622 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.882 -9.787 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.397 -7.608 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.333 -8.986 2.249 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.866 -9.873 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.542 -7.977 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.703 -7.845 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.702 -6.825 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.362 -9.011 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.550 -7.880 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.832 -9.634 4.470 1.00 0.00 H new ATOM 1169 N LYS A 77 -8.941 -10.401 -0.183 1.00 0.00 N ATOM 1170 CA LYS A 77 -9.923 -11.455 -0.488 1.00 0.00 C ATOM 1171 C LYS A 77 -9.368 -12.412 -1.543 1.00 0.00 C ATOM 1172 O LYS A 77 -9.541 -13.611 -1.465 1.00 0.00 O ATOM 1173 CB LYS A 77 -11.176 -10.780 -1.050 1.00 0.00 C ATOM 1174 CG LYS A 77 -12.345 -11.759 -0.987 1.00 0.00 C ATOM 1175 CD LYS A 77 -12.968 -11.756 0.434 1.00 0.00 C ATOM 1176 CE LYS A 77 -13.349 -13.180 0.856 1.00 0.00 C ATOM 1177 NZ LYS A 77 -14.206 -13.119 2.074 1.00 0.00 N ATOM 0 H LYS A 77 -9.209 -9.471 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.148 -12.020 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.407 -9.882 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.004 -10.466 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.100 -11.484 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.003 -12.762 -1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.259 -11.336 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.851 -11.117 0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.881 -13.681 0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.451 -13.765 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.467 -14.083 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.682 -12.656 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.068 -12.575 1.865 1.00 0.00 H new ATOM 1191 N LEU A 78 -8.731 -11.883 -2.548 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.198 -12.753 -3.627 1.00 0.00 C ATOM 1193 C LEU A 78 -7.210 -13.745 -3.018 1.00 0.00 C ATOM 1194 O LEU A 78 -7.157 -14.898 -3.396 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.511 -11.864 -4.687 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.501 -11.541 -5.814 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.706 -10.791 -5.240 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -7.807 -10.665 -6.861 1.00 0.00 C ATOM 0 H LEU A 78 -8.557 -10.885 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.000 -13.313 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.156 -10.942 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.638 -12.375 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.840 -12.468 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.408 -10.562 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.199 -11.412 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.370 -9.863 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.507 -10.433 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.470 -9.739 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.949 -11.198 -7.271 1.00 0.00 H new ATOM 1210 N ALA A 79 -6.444 -13.313 -2.063 1.00 0.00 N ATOM 1211 CA ALA A 79 -5.479 -14.235 -1.409 1.00 0.00 C ATOM 1212 C ALA A 79 -6.249 -15.353 -0.704 1.00 0.00 C ATOM 1213 O ALA A 79 -5.965 -16.522 -0.873 1.00 0.00 O ATOM 1214 CB ALA A 79 -4.660 -13.457 -0.380 1.00 0.00 C ATOM 0 H ALA A 79 -6.443 -12.358 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.814 -14.665 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.950 -14.129 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.118 -12.654 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.327 -13.033 0.371 1.00 0.00 H new ATOM 1220 N ASN A 80 -7.210 -14.996 0.105 1.00 0.00 N ATOM 1221 CA ASN A 80 -7.987 -16.027 0.845 1.00 0.00 C ATOM 1222 C ASN A 80 -8.934 -16.784 -0.097 1.00 0.00 C ATOM 1223 O ASN A 80 -9.502 -17.791 0.276 1.00 0.00 O ATOM 1224 CB ASN A 80 -8.779 -15.351 1.983 1.00 0.00 C ATOM 1225 CG ASN A 80 -8.849 -16.304 3.174 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -7.734 -16.708 3.718 1.00 0.00 O flip ATOM 1227 ND2 ASN A 80 -9.918 -16.684 3.611 1.00 0.00 N flip ATOM 0 H ASN A 80 -7.490 -14.032 0.285 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.294 -16.754 1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.297 -14.418 2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.783 -15.098 1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.787 -16.365 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.946 -17.322 4.407 1.00 0.00 H new ATOM 1234 N GLU A 81 -9.114 -16.320 -1.307 1.00 0.00 N ATOM 1235 CA GLU A 81 -10.033 -17.034 -2.251 1.00 0.00 C ATOM 1236 C GLU A 81 -9.221 -17.988 -3.132 1.00 0.00 C ATOM 1237 O GLU A 81 -9.764 -18.826 -3.822 1.00 0.00 O ATOM 1238 CB GLU A 81 -10.756 -16.014 -3.129 1.00 0.00 C ATOM 1239 CG GLU A 81 -11.842 -15.313 -2.309 1.00 0.00 C ATOM 1240 CD GLU A 81 -13.016 -16.270 -2.090 1.00 0.00 C ATOM 1241 OE1 GLU A 81 -12.938 -17.392 -2.566 1.00 0.00 O ATOM 1242 OE2 GLU A 81 -13.972 -15.867 -1.449 1.00 0.00 O ATOM 0 H GLU A 81 -8.669 -15.483 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.767 -17.605 -1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.046 -15.282 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.200 -16.511 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.437 -14.992 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.182 -14.417 -2.827 1.00 0.00 H new ATOM 1249 N GLY A 82 -7.918 -17.880 -3.097 1.00 0.00 N ATOM 1250 CA GLY A 82 -7.059 -18.793 -3.913 1.00 0.00 C ATOM 1251 C GLY A 82 -6.656 -18.123 -5.231 1.00 0.00 C ATOM 1252 O GLY A 82 -6.146 -18.771 -6.124 1.00 0.00 O ATOM 0 H GLY A 82 -7.409 -17.196 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.166 -19.062 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.597 -19.718 -4.119 1.00 0.00 H new ATOM 1256 N LYS A 83 -6.860 -16.834 -5.364 1.00 0.00 N ATOM 1257 CA LYS A 83 -6.463 -16.137 -6.633 1.00 0.00 C ATOM 1258 C LYS A 83 -5.069 -15.533 -6.438 1.00 0.00 C ATOM 1259 O LYS A 83 -4.905 -14.351 -6.216 1.00 0.00 O ATOM 1260 CB LYS A 83 -7.470 -15.034 -6.995 1.00 0.00 C ATOM 1261 CG LYS A 83 -8.886 -15.462 -6.623 1.00 0.00 C ATOM 1262 CD LYS A 83 -9.195 -16.855 -7.206 1.00 0.00 C ATOM 1263 CE LYS A 83 -10.706 -17.011 -7.405 1.00 0.00 C ATOM 1264 NZ LYS A 83 -11.167 -16.049 -8.446 1.00 0.00 N ATOM 0 H LYS A 83 -7.282 -16.235 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.452 -16.857 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.213 -14.113 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.417 -14.820 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.994 -15.482 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.604 -14.735 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.679 -16.984 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.825 -17.630 -6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.941 -18.032 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.229 -16.827 -6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.654 -16.566 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.821 -15.363 -8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.347 -15.546 -8.841 1.00 0.00 H new ATOM 1278 N VAL A 84 -4.074 -16.360 -6.510 1.00 0.00 N ATOM 1279 CA VAL A 84 -2.670 -15.896 -6.323 1.00 0.00 C ATOM 1280 C VAL A 84 -2.202 -15.162 -7.574 1.00 0.00 C ATOM 1281 O VAL A 84 -1.728 -14.045 -7.504 1.00 0.00 O ATOM 1282 CB VAL A 84 -1.765 -17.109 -6.066 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -0.296 -16.668 -6.038 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -2.143 -17.744 -4.725 1.00 0.00 C ATOM 0 H VAL A 84 -4.171 -17.359 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.620 -15.218 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.898 -17.838 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.340 -17.534 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.032 -16.220 -6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.151 -15.937 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.503 -18.606 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.011 -17.014 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.184 -18.065 -4.755 1.00 0.00 H new ATOM 1294 N LYS A 85 -2.341 -15.762 -8.722 1.00 0.00 N ATOM 1295 CA LYS A 85 -1.909 -15.064 -9.962 1.00 0.00 C ATOM 1296 C LYS A 85 -2.597 -13.700 -10.003 1.00 0.00 C ATOM 1297 O LYS A 85 -2.018 -12.708 -10.399 1.00 0.00 O ATOM 1298 CB LYS A 85 -2.304 -15.890 -11.195 1.00 0.00 C ATOM 1299 CG LYS A 85 -1.700 -17.320 -11.111 1.00 0.00 C ATOM 1300 CD LYS A 85 -2.774 -18.339 -10.703 1.00 0.00 C ATOM 1301 CE LYS A 85 -2.129 -19.714 -10.510 1.00 0.00 C ATOM 1302 NZ LYS A 85 -3.177 -20.710 -10.146 1.00 0.00 N ATOM 0 H LYS A 85 -2.731 -16.695 -8.855 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.826 -14.940 -9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.390 -15.951 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.953 -15.394 -12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.275 -17.598 -12.076 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.885 -17.334 -10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.260 -18.021 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.548 -18.393 -11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.623 -20.021 -11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.372 -19.665 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.738 -21.644 -10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.641 -20.418 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.884 -20.764 -10.907 1.00 0.00 H new ATOM 1316 N GLU A 86 -3.825 -13.643 -9.561 1.00 0.00 N ATOM 1317 CA GLU A 86 -4.546 -12.344 -9.535 1.00 0.00 C ATOM 1318 C GLU A 86 -3.917 -11.475 -8.453 1.00 0.00 C ATOM 1319 O GLU A 86 -3.694 -10.295 -8.636 1.00 0.00 O ATOM 1320 CB GLU A 86 -6.030 -12.558 -9.219 1.00 0.00 C ATOM 1321 CG GLU A 86 -6.641 -13.523 -10.246 1.00 0.00 C ATOM 1322 CD GLU A 86 -8.166 -13.470 -10.149 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -8.686 -12.405 -9.863 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -8.788 -14.498 -10.364 1.00 0.00 O ATOM 0 H GLU A 86 -4.358 -14.442 -9.217 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.470 -11.863 -10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.144 -12.962 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.558 -11.605 -9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.320 -13.252 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.289 -14.538 -10.062 1.00 0.00 H new ATOM 1331 N ALA A 87 -3.626 -12.061 -7.318 1.00 0.00 N ATOM 1332 CA ALA A 87 -3.012 -11.269 -6.217 1.00 0.00 C ATOM 1333 C ALA A 87 -1.621 -10.808 -6.646 1.00 0.00 C ATOM 1334 O ALA A 87 -1.299 -9.638 -6.611 1.00 0.00 O ATOM 1335 CB ALA A 87 -2.897 -12.137 -4.962 1.00 0.00 C ATOM 0 H ALA A 87 -3.787 -13.047 -7.110 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.636 -10.402 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.447 -11.555 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.889 -12.470 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.272 -13.004 -5.176 1.00 0.00 H new ATOM 1341 N GLN A 88 -0.801 -11.727 -7.058 1.00 0.00 N ATOM 1342 CA GLN A 88 0.567 -11.384 -7.506 1.00 0.00 C ATOM 1343 C GLN A 88 0.458 -10.410 -8.692 1.00 0.00 C ATOM 1344 O GLN A 88 1.130 -9.396 -8.747 1.00 0.00 O ATOM 1345 CB GLN A 88 1.277 -12.723 -7.863 1.00 0.00 C ATOM 1346 CG GLN A 88 1.650 -12.821 -9.346 1.00 0.00 C ATOM 1347 CD GLN A 88 2.523 -14.056 -9.572 1.00 0.00 C ATOM 1348 OE1 GLN A 88 3.585 -13.962 -10.156 1.00 0.00 O ATOM 1349 NE2 GLN A 88 2.123 -15.219 -9.134 1.00 0.00 N ATOM 0 H GLN A 88 -1.028 -12.720 -7.103 1.00 0.00 H new ATOM 0 HA GLN A 88 1.159 -10.881 -6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.179 -12.823 -7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.624 -13.556 -7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.748 -12.884 -9.955 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.184 -11.923 -9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.232 -15.300 -8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.701 -16.046 -9.282 1.00 0.00 H new ATOM 1358 N ALA A 89 -0.395 -10.702 -9.628 1.00 0.00 N ATOM 1359 CA ALA A 89 -0.557 -9.785 -10.790 1.00 0.00 C ATOM 1360 C ALA A 89 -0.968 -8.408 -10.265 1.00 0.00 C ATOM 1361 O ALA A 89 -0.504 -7.383 -10.734 1.00 0.00 O ATOM 1362 CB ALA A 89 -1.642 -10.327 -11.723 1.00 0.00 C ATOM 0 H ALA A 89 -0.987 -11.533 -9.641 1.00 0.00 H new ATOM 0 HA ALA A 89 0.379 -9.710 -11.343 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.760 -9.655 -12.573 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.355 -11.316 -12.079 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.586 -10.396 -11.182 1.00 0.00 H new ATOM 1368 N ALA A 90 -1.813 -8.368 -9.269 1.00 0.00 N ATOM 1369 CA ALA A 90 -2.213 -7.054 -8.704 1.00 0.00 C ATOM 1370 C ALA A 90 -0.966 -6.423 -8.088 1.00 0.00 C ATOM 1371 O ALA A 90 -0.812 -5.224 -8.063 1.00 0.00 O ATOM 1372 CB ALA A 90 -3.286 -7.254 -7.630 1.00 0.00 C ATOM 0 H ALA A 90 -2.239 -9.183 -8.828 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.625 -6.409 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.575 -6.286 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.158 -7.736 -8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.890 -7.883 -6.832 1.00 0.00 H new ATOM 1378 N ALA A 91 -0.050 -7.229 -7.619 1.00 0.00 N ATOM 1379 CA ALA A 91 1.202 -6.667 -7.032 1.00 0.00 C ATOM 1380 C ALA A 91 1.768 -5.642 -8.011 1.00 0.00 C ATOM 1381 O ALA A 91 2.097 -4.534 -7.642 1.00 0.00 O ATOM 1382 CB ALA A 91 2.223 -7.788 -6.809 1.00 0.00 C ATOM 0 H ALA A 91 -0.114 -8.247 -7.617 1.00 0.00 H new ATOM 0 HA ALA A 91 0.988 -6.196 -6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.134 -7.370 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.807 -8.528 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.455 -8.264 -7.762 1.00 0.00 H new ATOM 1388 N GLU A 92 1.850 -5.986 -9.266 1.00 0.00 N ATOM 1389 CA GLU A 92 2.359 -5.005 -10.256 1.00 0.00 C ATOM 1390 C GLU A 92 1.393 -3.814 -10.267 1.00 0.00 C ATOM 1391 O GLU A 92 1.778 -2.695 -10.539 1.00 0.00 O ATOM 1392 CB GLU A 92 2.435 -5.658 -11.651 1.00 0.00 C ATOM 1393 CG GLU A 92 3.818 -6.300 -11.854 1.00 0.00 C ATOM 1394 CD GLU A 92 3.744 -7.347 -12.969 1.00 0.00 C ATOM 1395 OE1 GLU A 92 3.891 -6.971 -14.120 1.00 0.00 O ATOM 1396 OE2 GLU A 92 3.543 -8.508 -12.651 1.00 0.00 O ATOM 0 H GLU A 92 1.588 -6.897 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 92 3.362 -4.671 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.656 -6.413 -11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.255 -4.910 -12.423 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.551 -5.534 -12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.153 -6.765 -10.927 1.00 0.00 H new ATOM 1403 N GLN A 93 0.145 -4.038 -9.928 1.00 0.00 N ATOM 1404 CA GLN A 93 -0.814 -2.901 -9.881 1.00 0.00 C ATOM 1405 C GLN A 93 -0.458 -2.072 -8.651 1.00 0.00 C ATOM 1406 O GLN A 93 -0.520 -0.859 -8.662 1.00 0.00 O ATOM 1407 CB GLN A 93 -2.261 -3.429 -9.765 1.00 0.00 C ATOM 1408 CG GLN A 93 -3.298 -2.312 -10.068 1.00 0.00 C ATOM 1409 CD GLN A 93 -3.886 -1.727 -8.768 1.00 0.00 C ATOM 1410 OE1 GLN A 93 -3.123 -1.568 -7.715 1.00 0.00 O flip ATOM 1411 NE2 GLN A 93 -5.057 -1.411 -8.714 1.00 0.00 N flip ATOM 0 H GLN A 93 -0.243 -4.950 -9.685 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.751 -2.300 -10.788 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.404 -4.258 -10.458 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.428 -3.820 -8.761 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.823 -1.518 -10.644 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.102 -2.716 -10.684 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.656 -1.532 -9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.442 -1.024 -7.852 1.00 0.00 H new ATOM 1420 N LEU A 94 -0.054 -2.729 -7.593 1.00 0.00 N ATOM 1421 CA LEU A 94 0.340 -1.988 -6.365 1.00 0.00 C ATOM 1422 C LEU A 94 1.593 -1.173 -6.702 1.00 0.00 C ATOM 1423 O LEU A 94 1.680 0.005 -6.429 1.00 0.00 O ATOM 1424 CB LEU A 94 0.650 -2.981 -5.230 1.00 0.00 C ATOM 1425 CG LEU A 94 -0.639 -3.355 -4.474 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -1.545 -4.202 -5.368 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -0.288 -4.162 -3.224 1.00 0.00 C ATOM 0 H LEU A 94 0.019 -3.744 -7.530 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.467 -1.334 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.112 -3.879 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.369 -2.540 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.157 -2.438 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.453 -4.461 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.806 -3.636 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.022 -5.114 -5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.202 -4.425 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.237 -5.072 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.352 -3.565 -2.574 1.00 0.00 H new ATOM 1439 N LYS A 95 2.558 -1.801 -7.313 1.00 0.00 N ATOM 1440 CA LYS A 95 3.803 -1.081 -7.696 1.00 0.00 C ATOM 1441 C LYS A 95 3.433 0.174 -8.503 1.00 0.00 C ATOM 1442 O LYS A 95 3.905 1.268 -8.240 1.00 0.00 O ATOM 1443 CB LYS A 95 4.668 -2.018 -8.551 1.00 0.00 C ATOM 1444 CG LYS A 95 5.083 -3.255 -7.720 1.00 0.00 C ATOM 1445 CD LYS A 95 6.456 -3.770 -8.184 1.00 0.00 C ATOM 1446 CE LYS A 95 7.578 -2.792 -7.765 1.00 0.00 C ATOM 1447 NZ LYS A 95 8.641 -3.555 -7.053 1.00 0.00 N ATOM 0 H LYS A 95 2.537 -2.789 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 95 4.357 -0.781 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.114 -2.332 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.555 -1.490 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.122 -2.995 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.336 -4.042 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.645 -4.754 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.458 -3.890 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.993 -2.296 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.176 -2.012 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.401 -2.906 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.237 -4.009 -6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.028 -4.284 -7.686 1.00 0.00 H new ATOM 1461 N THR A 96 2.582 0.023 -9.481 1.00 0.00 N ATOM 1462 CA THR A 96 2.174 1.199 -10.308 1.00 0.00 C ATOM 1463 C THR A 96 1.320 2.147 -9.468 1.00 0.00 C ATOM 1464 O THR A 96 1.377 3.354 -9.620 1.00 0.00 O ATOM 1465 CB THR A 96 1.364 0.717 -11.515 1.00 0.00 C ATOM 1466 OG1 THR A 96 2.118 -0.253 -12.229 1.00 0.00 O ATOM 1467 CG2 THR A 96 1.050 1.901 -12.435 1.00 0.00 C ATOM 0 H THR A 96 2.151 -0.863 -9.745 1.00 0.00 H new ATOM 0 HA THR A 96 3.065 1.725 -10.652 1.00 0.00 H new ATOM 0 HB THR A 96 0.429 0.274 -11.171 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.092 -1.107 -11.748 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.474 1.553 -13.292 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.472 2.644 -11.887 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.981 2.349 -12.782 1.00 0.00 H new ATOM 1475 N THR A 97 0.532 1.619 -8.574 1.00 0.00 N ATOM 1476 CA THR A 97 -0.309 2.504 -7.728 1.00 0.00 C ATOM 1477 C THR A 97 0.619 3.457 -6.973 1.00 0.00 C ATOM 1478 O THR A 97 0.414 4.654 -6.946 1.00 0.00 O ATOM 1479 CB THR A 97 -1.102 1.652 -6.735 1.00 0.00 C ATOM 1480 OG1 THR A 97 -2.194 1.034 -7.403 1.00 0.00 O ATOM 1481 CG2 THR A 97 -1.627 2.521 -5.596 1.00 0.00 C ATOM 0 H THR A 97 0.435 0.620 -8.395 1.00 0.00 H new ATOM 0 HA THR A 97 -1.010 3.071 -8.341 1.00 0.00 H new ATOM 0 HB THR A 97 -0.445 0.887 -6.323 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.012 0.077 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.190 1.903 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.789 2.986 -5.077 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.278 3.296 -6.000 1.00 0.00 H new ATOM 1489 N ILE A 98 1.651 2.930 -6.371 1.00 0.00 N ATOM 1490 CA ILE A 98 2.607 3.785 -5.631 1.00 0.00 C ATOM 1491 C ILE A 98 3.024 4.930 -6.536 1.00 0.00 C ATOM 1492 O ILE A 98 3.261 6.036 -6.101 1.00 0.00 O ATOM 1493 CB ILE A 98 3.827 2.945 -5.300 1.00 0.00 C ATOM 1494 CG1 ILE A 98 3.411 1.738 -4.424 1.00 0.00 C ATOM 1495 CG2 ILE A 98 4.877 3.805 -4.586 1.00 0.00 C ATOM 1496 CD1 ILE A 98 3.398 2.109 -2.935 1.00 0.00 C ATOM 0 H ILE A 98 1.870 1.934 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 98 2.157 4.176 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 98 4.267 2.565 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 98 2.422 1.392 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.101 0.911 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.749 3.195 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.174 4.629 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.455 4.203 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.102 1.241 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.394 2.431 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.688 2.919 -2.768 1.00 0.00 H new ATOM 1508 N ARG A 99 3.107 4.677 -7.808 1.00 0.00 N ATOM 1509 CA ARG A 99 3.493 5.769 -8.728 1.00 0.00 C ATOM 1510 C ARG A 99 2.504 6.924 -8.526 1.00 0.00 C ATOM 1511 O ARG A 99 2.874 8.082 -8.469 1.00 0.00 O ATOM 1512 CB ARG A 99 3.428 5.269 -10.182 1.00 0.00 C ATOM 1513 CG ARG A 99 4.278 6.180 -11.115 1.00 0.00 C ATOM 1514 CD ARG A 99 5.484 5.405 -11.665 1.00 0.00 C ATOM 1515 NE ARG A 99 6.154 4.668 -10.559 1.00 0.00 N ATOM 1516 CZ ARG A 99 7.299 4.080 -10.770 1.00 0.00 C ATOM 1517 NH1 ARG A 99 7.859 4.153 -11.947 1.00 0.00 N ATOM 1518 NH2 ARG A 99 7.882 3.419 -9.808 1.00 0.00 N ATOM 0 H ARG A 99 2.926 3.773 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 99 4.510 6.102 -8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.793 4.243 -10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.392 5.257 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.663 6.542 -11.939 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.621 7.056 -10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.159 4.706 -12.436 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.187 6.093 -12.135 1.00 0.00 H new ATOM 0 HE ARG A 99 5.719 4.623 -9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.401 4.669 -12.698 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.754 3.694 -12.115 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.442 3.362 -8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.777 2.960 -9.975 1.00 0.00 H new ATOM 1532 N ALA A 100 1.243 6.600 -8.398 1.00 0.00 N ATOM 1533 CA ALA A 100 0.212 7.657 -8.180 1.00 0.00 C ATOM 1534 C ALA A 100 0.448 8.329 -6.823 1.00 0.00 C ATOM 1535 O ALA A 100 0.127 9.486 -6.623 1.00 0.00 O ATOM 1536 CB ALA A 100 -1.181 7.021 -8.205 1.00 0.00 C ATOM 0 H ALA A 100 0.883 5.646 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 100 0.283 8.405 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.936 7.791 -8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.346 6.545 -9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.254 6.273 -7.415 1.00 0.00 H new ATOM 1542 N TYR A 101 1.017 7.623 -5.885 1.00 0.00 N ATOM 1543 CA TYR A 101 1.271 8.246 -4.559 1.00 0.00 C ATOM 1544 C TYR A 101 2.340 9.322 -4.749 1.00 0.00 C ATOM 1545 O TYR A 101 2.310 10.361 -4.123 1.00 0.00 O ATOM 1546 CB TYR A 101 1.739 7.171 -3.553 1.00 0.00 C ATOM 1547 CG TYR A 101 2.663 7.756 -2.506 1.00 0.00 C ATOM 1548 CD1 TYR A 101 4.037 7.822 -2.762 1.00 0.00 C ATOM 1549 CD2 TYR A 101 2.152 8.233 -1.294 1.00 0.00 C ATOM 1550 CE1 TYR A 101 4.903 8.366 -1.805 1.00 0.00 C ATOM 1551 CE2 TYR A 101 3.017 8.777 -0.335 1.00 0.00 C ATOM 1552 CZ TYR A 101 4.393 8.845 -0.592 1.00 0.00 C ATOM 1553 OH TYR A 101 5.249 9.379 0.352 1.00 0.00 O ATOM 0 H TYR A 101 1.314 6.652 -5.979 1.00 0.00 H new ATOM 0 HA TYR A 101 0.362 8.695 -4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.872 6.725 -3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.252 6.371 -4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.430 7.453 -3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.091 8.182 -1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.964 8.416 -2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.623 9.144 0.602 1.00 0.00 H new ATOM 0 HH TYR A 101 4.734 9.666 1.135 1.00 0.00 H new ATOM 1563 N ASN A 102 3.281 9.085 -5.618 1.00 0.00 N ATOM 1564 CA ASN A 102 4.334 10.110 -5.839 1.00 0.00 C ATOM 1565 C ASN A 102 3.666 11.382 -6.356 1.00 0.00 C ATOM 1566 O ASN A 102 4.087 12.478 -6.041 1.00 0.00 O ATOM 1567 CB ASN A 102 5.408 9.573 -6.811 1.00 0.00 C ATOM 1568 CG ASN A 102 5.939 10.662 -7.766 1.00 0.00 C ATOM 1569 OD1 ASN A 102 6.015 11.902 -7.364 1.00 0.00 O flip ATOM 1570 ND2 ASN A 102 6.286 10.373 -8.894 1.00 0.00 N flip ATOM 0 H ASN A 102 3.366 8.237 -6.178 1.00 0.00 H new ATOM 0 HA ASN A 102 4.848 10.343 -4.906 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.238 9.161 -6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.987 8.755 -7.396 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.229 9.406 -9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.635 11.097 -9.522 1.00 0.00 H new ATOM 1577 N GLN A 103 2.606 11.264 -7.107 1.00 0.00 N ATOM 1578 CA GLN A 103 1.932 12.490 -7.567 1.00 0.00 C ATOM 1579 C GLN A 103 1.421 13.165 -6.298 1.00 0.00 C ATOM 1580 O GLN A 103 1.235 14.364 -6.233 1.00 0.00 O ATOM 1581 CB GLN A 103 0.775 12.114 -8.516 1.00 0.00 C ATOM 1582 CG GLN A 103 -0.304 13.203 -8.502 1.00 0.00 C ATOM 1583 CD GLN A 103 -1.270 12.981 -7.330 1.00 0.00 C ATOM 1584 OE1 GLN A 103 -0.998 12.072 -6.431 1.00 0.00 O flip ATOM 1585 NE2 GLN A 103 -2.284 13.643 -7.231 1.00 0.00 N flip ATOM 0 H GLN A 103 2.190 10.384 -7.413 1.00 0.00 H new ATOM 0 HA GLN A 103 2.591 13.156 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.155 11.983 -9.529 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.342 11.161 -8.212 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.162 14.185 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.854 13.191 -9.443 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.500 14.353 -7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.920 13.488 -6.448 1.00 0.00 H new ATOM 1594 N LYS A 104 1.243 12.375 -5.272 1.00 0.00 N ATOM 1595 CA LYS A 104 0.799 12.920 -3.960 1.00 0.00 C ATOM 1596 C LYS A 104 2.042 13.432 -3.211 1.00 0.00 C ATOM 1597 O LYS A 104 1.977 14.408 -2.491 1.00 0.00 O ATOM 1598 CB LYS A 104 0.037 11.811 -3.178 1.00 0.00 C ATOM 1599 CG LYS A 104 0.680 11.493 -1.823 1.00 0.00 C ATOM 1600 CD LYS A 104 -0.229 10.550 -1.034 1.00 0.00 C ATOM 1601 CE LYS A 104 -1.480 11.284 -0.518 1.00 0.00 C ATOM 1602 NZ LYS A 104 -2.010 10.572 0.679 1.00 0.00 N ATOM 0 H LYS A 104 1.388 11.366 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 104 0.109 13.755 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.994 12.127 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.004 10.904 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.657 11.033 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.843 12.413 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.529 9.716 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.322 10.129 -0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.232 12.314 -0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.240 11.324 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.825 11.093 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.308 9.613 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.267 10.512 1.404 1.00 0.00 H new ATOM 1616 N TYR A 105 3.180 12.790 -3.381 1.00 0.00 N ATOM 1617 CA TYR A 105 4.413 13.264 -2.682 1.00 0.00 C ATOM 1618 C TYR A 105 5.129 14.275 -3.587 1.00 0.00 C ATOM 1619 O TYR A 105 6.204 14.748 -3.279 1.00 0.00 O ATOM 1620 CB TYR A 105 5.308 12.044 -2.298 1.00 0.00 C ATOM 1621 CG TYR A 105 6.736 12.207 -2.784 1.00 0.00 C ATOM 1622 CD1 TYR A 105 6.986 12.246 -4.150 1.00 0.00 C ATOM 1623 CD2 TYR A 105 7.796 12.305 -1.873 1.00 0.00 C ATOM 1624 CE1 TYR A 105 8.295 12.388 -4.624 1.00 0.00 C ATOM 1625 CE2 TYR A 105 9.107 12.449 -2.341 1.00 0.00 C ATOM 1626 CZ TYR A 105 9.357 12.489 -3.718 1.00 0.00 C ATOM 1627 OH TYR A 105 10.650 12.628 -4.182 1.00 0.00 O ATOM 0 H TYR A 105 3.303 11.966 -3.969 1.00 0.00 H new ATOM 0 HA TYR A 105 4.166 13.770 -1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.306 11.921 -1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 105 4.883 11.135 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 105 6.167 12.166 -4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.602 12.269 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 105 8.485 12.420 -5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.925 12.529 -1.641 1.00 0.00 H new ATOM 0 HH TYR A 105 11.266 12.685 -3.422 1.00 0.00 H new ATOM 1637 N GLY A 106 4.532 14.610 -4.700 1.00 0.00 N ATOM 1638 CA GLY A 106 5.169 15.593 -5.624 1.00 0.00 C ATOM 1639 C GLY A 106 4.096 16.232 -6.510 1.00 0.00 C ATOM 1640 O GLY A 106 3.378 15.492 -7.162 1.00 0.00 O ATOM 1641 OXT GLY A 106 4.014 17.450 -6.523 1.00 0.00 O ATOM 0 H GLY A 106 3.631 14.245 -5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.688 16.362 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 106 5.917 15.096 -6.242 1.00 0.00 H new