USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1033 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 104 SER OG : rot 21:sc= 1.56 USER MOD Set 1.2: A 109 SER OG : rot -33:sc= 1.06 USER MOD Set 2.1: A 89 ASN :FLIP amide:sc= -1.52! F(o=-3.3,f=-2.4!) USER MOD Set 2.2: A 123 GLN :FLIP amide:sc= -0.856 F(o=-3.3,f=-2.4) USER MOD Set 3.1: A 82 CYS SG : rot -81:sc= 0.94 USER MOD Set 3.2: A 102 THR OG1 : rot 90:sc= 1.74 USER MOD Set 4.1: A 59 ASN : amide:sc= 0.879 K(o=2.9,f=-7.1!) USER MOD Set 4.2: A 75 LYS NZ :NH3+ 154:sc= 2.04 (180deg=0.305) USER MOD Set 5.1: A 54 THR OG1 : rot -98:sc= 1.51 USER MOD Set 5.2: A 56 THR OG1 : rot 180:sc= 0.0237 USER MOD Set 6.1: A 9 GLN : amide:sc= 0.35 K(o=0.8,f=0.17) USER MOD Set 6.2: A 11 GLN : amide:sc= 0.45 K(o=0.8,f=0.17) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0014 USER MOD Single : A 15 HIS :FLIP no HE2:sc= 0.0124 F(o=-1.6,f=0.012) USER MOD Single : A 16 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.013) USER MOD Single : A 17 ASN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= 1.16 (180deg=0.192) USER MOD Single : A 29 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 32 SER OG : rot 73:sc= 1.24 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 11:sc= 1.12 USER MOD Single : A 40 TYR OH : rot -178:sc= 1.19 USER MOD Single : A 41 THR OG1 : rot 156:sc= 0.32 USER MOD Single : A 47 SER OG : rot 78:sc= 1.3 USER MOD Single : A 51 ASN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 60 THR OG1 : rot 79:sc= 1.09 USER MOD Single : A 67 SER OG : rot 180:sc= -0.205 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0018 USER MOD Single : A 81 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.62) USER MOD Single : A 85 THR OG1 : rot 94:sc= 0.745 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.122 F(o=-0.78,f=-0.12) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -72:sc= 0.64 USER MOD Single : A 110 THR OG1 : rot 104:sc= 0.101 USER MOD Single : A 113 GLN :FLIP amide:sc= -0.755 F(o=-1.3,f=-0.76) USER MOD Single : A 114 MET CE :methyl -176:sc= 0 (180deg=-0.00474) USER MOD Single : A 115 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.54) USER MOD Single : A 116 TYR OH : rot -70:sc= 1.04 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.323 F(o=-1.1!,f=-0.32) USER MOD Single : A 129 THR OG1 : rot -109:sc= -0.393 USER MOD Single : A 130 LYS NZ :NH3+ -166:sc= -0.0399 (180deg=-0.232) USER MOD Single : A 134 LYS NZ :NH3+ 153:sc= -0.797 (180deg=-1.28) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 1.53 (180deg=1.54) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.838 12.295 1.255 1.00 0.00 N ATOM 2 CA PRO A 1 4.363 10.949 1.181 1.00 0.00 C ATOM 3 C PRO A 1 5.822 11.000 1.589 1.00 0.00 C ATOM 4 O PRO A 1 6.243 11.948 2.240 1.00 0.00 O ATOM 5 CB PRO A 1 4.239 10.488 -0.271 1.00 0.00 C ATOM 6 CG PRO A 1 3.760 11.704 -1.009 1.00 0.00 C ATOM 7 CD PRO A 1 3.943 12.884 -0.068 1.00 0.00 C ATOM 0 H2 PRO A 1 4.362 12.846 1.935 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.866 12.284 1.565 1.00 0.00 H new ATOM 0 HA PRO A 1 3.825 10.262 1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 1 5.195 10.138 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.534 9.662 -0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.329 11.849 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.714 11.596 -1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 1 4.909 13.366 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.179 13.645 -0.228 1.00 0.00 H new ATOM 17 N VAL A 2 6.603 10.019 1.190 1.00 0.00 N ATOM 18 CA VAL A 2 8.024 10.053 1.429 1.00 0.00 C ATOM 19 C VAL A 2 8.628 10.832 0.269 1.00 0.00 C ATOM 20 O VAL A 2 8.343 10.528 -0.892 1.00 0.00 O ATOM 21 CB VAL A 2 8.625 8.617 1.486 1.00 0.00 C ATOM 22 CG1 VAL A 2 10.152 8.637 1.539 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.076 7.859 2.685 1.00 0.00 C ATOM 0 H VAL A 2 6.274 9.188 0.698 1.00 0.00 H new ATOM 0 HA VAL A 2 8.243 10.520 2.389 1.00 0.00 H new ATOM 0 HB VAL A 2 8.330 8.108 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.528 7.615 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.540 9.133 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.478 9.178 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.506 6.858 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.337 8.389 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.991 7.786 2.604 1.00 0.00 H new ATOM 33 N THR A 3 9.422 11.818 0.566 1.00 0.00 N ATOM 34 CA THR A 3 9.947 12.672 -0.443 1.00 0.00 C ATOM 35 C THR A 3 11.295 12.141 -0.834 1.00 0.00 C ATOM 36 O THR A 3 12.067 11.689 0.016 1.00 0.00 O ATOM 37 CB THR A 3 10.032 14.155 0.070 1.00 0.00 C ATOM 38 OG1 THR A 3 10.398 15.071 -0.970 1.00 0.00 O ATOM 39 CG2 THR A 3 11.001 14.293 1.230 1.00 0.00 C ATOM 0 H THR A 3 9.720 12.048 1.514 1.00 0.00 H new ATOM 0 HA THR A 3 9.292 12.684 -1.314 1.00 0.00 H new ATOM 0 HB THR A 3 9.029 14.410 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.437 15.980 -0.606 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.032 15.332 1.556 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.672 13.663 2.056 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.996 13.983 0.912 1.00 0.00 H new ATOM 47 N GLU A 4 11.563 12.130 -2.082 1.00 0.00 N ATOM 48 CA GLU A 4 12.812 11.657 -2.531 1.00 0.00 C ATOM 49 C GLU A 4 13.674 12.827 -2.859 1.00 0.00 C ATOM 50 O GLU A 4 13.277 13.980 -2.626 1.00 0.00 O ATOM 51 CB GLU A 4 12.685 10.681 -3.720 1.00 0.00 C ATOM 52 CG GLU A 4 12.195 11.277 -5.035 1.00 0.00 C ATOM 53 CD GLU A 4 10.826 11.914 -4.957 1.00 0.00 C ATOM 54 OE1 GLU A 4 9.832 11.231 -5.171 1.00 0.00 O ATOM 55 OE2 GLU A 4 10.736 13.129 -4.675 1.00 0.00 O ATOM 0 H GLU A 4 10.929 12.446 -2.816 1.00 0.00 H new ATOM 0 HA GLU A 4 13.275 11.077 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.660 10.225 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.004 9.879 -3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.913 12.025 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.175 10.492 -5.791 1.00 0.00 H new ATOM 62 N THR A 5 14.820 12.547 -3.341 1.00 0.00 N ATOM 63 CA THR A 5 15.761 13.519 -3.673 1.00 0.00 C ATOM 64 C THR A 5 16.842 12.869 -4.530 1.00 0.00 C ATOM 65 O THR A 5 16.994 11.641 -4.541 1.00 0.00 O ATOM 66 CB THR A 5 16.328 14.171 -2.373 1.00 0.00 C ATOM 67 OG1 THR A 5 17.412 15.073 -2.640 1.00 0.00 O ATOM 68 CG2 THR A 5 16.733 13.123 -1.332 1.00 0.00 C ATOM 0 H THR A 5 15.134 11.593 -3.520 1.00 0.00 H new ATOM 0 HA THR A 5 15.309 14.324 -4.253 1.00 0.00 H new ATOM 0 HB THR A 5 15.513 14.759 -1.952 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.733 15.457 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 5 17.122 13.623 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.863 12.525 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.503 12.474 -1.749 1.00 0.00 H new ATOM 76 N VAL A 6 17.562 13.677 -5.226 1.00 0.00 N ATOM 77 CA VAL A 6 18.583 13.254 -6.134 1.00 0.00 C ATOM 78 C VAL A 6 19.694 14.252 -6.076 1.00 0.00 C ATOM 79 O VAL A 6 19.449 15.451 -5.904 1.00 0.00 O ATOM 80 CB VAL A 6 18.087 13.083 -7.623 1.00 0.00 C ATOM 81 CG1 VAL A 6 17.229 11.829 -7.794 1.00 0.00 C ATOM 82 CG2 VAL A 6 17.306 14.307 -8.076 1.00 0.00 C ATOM 0 H VAL A 6 17.456 14.690 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 6 18.913 12.263 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 6 18.975 12.974 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.907 11.747 -8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.813 10.949 -7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.354 11.896 -7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.974 14.167 -9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.438 14.444 -7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.945 15.188 -8.018 1.00 0.00 H new ATOM 92 N ASP A 7 20.893 13.784 -6.141 1.00 0.00 N ATOM 93 CA ASP A 7 22.036 14.678 -6.137 1.00 0.00 C ATOM 94 C ASP A 7 22.535 14.791 -7.549 1.00 0.00 C ATOM 95 O ASP A 7 22.395 13.836 -8.330 1.00 0.00 O ATOM 96 CB ASP A 7 23.150 14.178 -5.201 1.00 0.00 C ATOM 97 CG ASP A 7 24.354 15.106 -5.138 1.00 0.00 C ATOM 98 OD1 ASP A 7 24.372 16.018 -4.299 1.00 0.00 O ATOM 99 OD2 ASP A 7 25.293 14.936 -5.925 1.00 0.00 O ATOM 0 H ASP A 7 21.124 12.792 -6.198 1.00 0.00 H new ATOM 0 HA ASP A 7 21.733 15.655 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 7 22.743 14.056 -4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 7 23.478 13.193 -5.534 1.00 0.00 H new ATOM 104 N GLY A 8 23.105 15.932 -7.873 1.00 0.00 N ATOM 105 CA GLY A 8 23.588 16.225 -9.216 1.00 0.00 C ATOM 106 C GLY A 8 24.668 15.269 -9.717 1.00 0.00 C ATOM 107 O GLY A 8 24.937 15.218 -10.914 1.00 0.00 O ATOM 0 H GLY A 8 23.250 16.693 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 8 22.745 16.197 -9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 8 23.982 17.241 -9.234 1.00 0.00 H new ATOM 111 N GLN A 9 25.301 14.509 -8.817 1.00 0.00 N ATOM 112 CA GLN A 9 26.301 13.544 -9.242 1.00 0.00 C ATOM 113 C GLN A 9 25.631 12.266 -9.749 1.00 0.00 C ATOM 114 O GLN A 9 26.308 11.340 -10.206 1.00 0.00 O ATOM 115 CB GLN A 9 27.297 13.194 -8.128 1.00 0.00 C ATOM 116 CG GLN A 9 26.736 12.333 -6.992 1.00 0.00 C ATOM 117 CD GLN A 9 27.814 11.899 -6.031 1.00 0.00 C ATOM 118 OE1 GLN A 9 28.972 11.731 -6.411 1.00 0.00 O ATOM 119 NE2 GLN A 9 27.457 11.677 -4.802 1.00 0.00 N ATOM 0 H GLN A 9 25.138 14.546 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 9 26.862 14.014 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 9 28.144 12.672 -8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 9 27.681 14.121 -7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 9 25.974 12.895 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 9 26.247 11.453 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 9 26.489 11.826 -4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 9 28.145 11.354 -4.122 1.00 0.00 H new ATOM 128 N GLY A 10 24.305 12.238 -9.694 1.00 0.00 N ATOM 129 CA GLY A 10 23.559 11.078 -10.111 1.00 0.00 C ATOM 130 C GLY A 10 23.375 10.050 -9.025 1.00 0.00 C ATOM 131 O GLY A 10 23.924 8.963 -9.107 1.00 0.00 O ATOM 0 H GLY A 10 23.731 13.013 -9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.579 11.396 -10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.069 10.614 -10.955 1.00 0.00 H new ATOM 135 N GLN A 11 22.650 10.397 -7.987 1.00 0.00 N ATOM 136 CA GLN A 11 22.295 9.429 -6.962 1.00 0.00 C ATOM 137 C GLN A 11 20.902 9.741 -6.462 1.00 0.00 C ATOM 138 O GLN A 11 20.518 10.917 -6.405 1.00 0.00 O ATOM 139 CB GLN A 11 23.269 9.419 -5.772 1.00 0.00 C ATOM 140 CG GLN A 11 23.295 10.704 -4.982 1.00 0.00 C ATOM 141 CD GLN A 11 23.918 10.533 -3.628 1.00 0.00 C ATOM 142 OE1 GLN A 11 25.114 10.723 -3.445 1.00 0.00 O ATOM 143 NE2 GLN A 11 23.113 10.132 -2.677 1.00 0.00 N ATOM 0 H GLN A 11 22.293 11.339 -7.825 1.00 0.00 H new ATOM 0 HA GLN A 11 22.345 8.440 -7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 11 23.000 8.601 -5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 11 24.274 9.212 -6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 11 23.848 11.459 -5.540 1.00 0.00 H new ATOM 0 HG3 GLN A 11 22.277 11.076 -4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 11 22.123 9.986 -2.875 1.00 0.00 H new ATOM 0 HE22 GLN A 11 23.476 9.965 -1.738 1.00 0.00 H new ATOM 152 N ALA A 12 20.159 8.723 -6.114 1.00 0.00 N ATOM 153 CA ALA A 12 18.826 8.906 -5.586 1.00 0.00 C ATOM 154 C ALA A 12 18.771 8.531 -4.116 1.00 0.00 C ATOM 155 O ALA A 12 19.373 7.548 -3.667 1.00 0.00 O ATOM 156 CB ALA A 12 17.792 8.133 -6.387 1.00 0.00 C ATOM 0 H ALA A 12 20.455 7.750 -6.186 1.00 0.00 H new ATOM 0 HA ALA A 12 18.580 9.964 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.803 8.297 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 12 17.801 8.478 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 12 18.029 7.070 -6.357 1.00 0.00 H new ATOM 162 N TRP A 13 18.098 9.337 -3.394 1.00 0.00 N ATOM 163 CA TRP A 13 17.934 9.199 -1.976 1.00 0.00 C ATOM 164 C TRP A 13 16.592 9.716 -1.566 1.00 0.00 C ATOM 165 O TRP A 13 15.816 10.107 -2.439 1.00 0.00 O ATOM 166 CB TRP A 13 19.138 9.806 -1.178 1.00 0.00 C ATOM 167 CG TRP A 13 19.693 11.147 -1.653 1.00 0.00 C ATOM 168 CD1 TRP A 13 20.044 11.498 -2.932 1.00 0.00 C ATOM 169 CD2 TRP A 13 20.046 12.272 -0.836 1.00 0.00 C ATOM 170 NE1 TRP A 13 20.537 12.768 -2.963 1.00 0.00 N ATOM 171 CE2 TRP A 13 20.560 13.264 -1.699 1.00 0.00 C ATOM 172 CE3 TRP A 13 19.963 12.549 0.534 1.00 0.00 C ATOM 173 CZ2 TRP A 13 20.988 14.492 -1.248 1.00 0.00 C ATOM 174 CZ3 TRP A 13 20.395 13.780 0.985 1.00 0.00 C ATOM 175 CH2 TRP A 13 20.902 14.739 0.095 1.00 0.00 C ATOM 0 H TRP A 13 17.619 10.152 -3.777 1.00 0.00 H new ATOM 0 HA TRP A 13 17.953 8.141 -1.714 1.00 0.00 H new ATOM 0 HB2 TRP A 13 18.830 9.918 -0.138 1.00 0.00 H new ATOM 0 HB3 TRP A 13 19.952 9.081 -1.193 1.00 0.00 H new ATOM 0 HD1 TRP A 13 19.943 10.856 -3.795 1.00 0.00 H new ATOM 0 HE1 TRP A 13 20.840 13.266 -3.800 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.570 11.816 1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 21.378 15.234 -1.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 20.342 14.009 2.039 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.232 15.693 0.479 1.00 0.00 H new ATOM 186 N ARG A 14 16.263 9.663 -0.288 1.00 0.00 N ATOM 187 CA ARG A 14 14.950 10.106 0.142 1.00 0.00 C ATOM 188 C ARG A 14 14.869 10.315 1.635 1.00 0.00 C ATOM 189 O ARG A 14 15.664 9.771 2.394 1.00 0.00 O ATOM 190 CB ARG A 14 13.834 9.160 -0.339 1.00 0.00 C ATOM 191 CG ARG A 14 13.762 7.790 0.310 1.00 0.00 C ATOM 192 CD ARG A 14 14.960 6.897 0.015 1.00 0.00 C ATOM 193 NE ARG A 14 15.079 6.574 -1.412 1.00 0.00 N ATOM 194 CZ ARG A 14 15.707 5.500 -1.913 1.00 0.00 C ATOM 195 NH1 ARG A 14 16.084 4.487 -1.128 1.00 0.00 N ATOM 196 NH2 ARG A 14 15.898 5.428 -3.213 1.00 0.00 N ATOM 0 H ARG A 14 16.873 9.325 0.457 1.00 0.00 H new ATOM 0 HA ARG A 14 14.793 11.076 -0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.877 9.659 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.949 9.020 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.673 7.916 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.856 7.287 -0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 14 15.871 7.393 0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.871 5.974 0.588 1.00 0.00 H new ATOM 0 HE ARG A 14 14.650 7.218 -2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.895 4.521 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.560 3.680 -1.530 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.571 6.180 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.373 4.620 -3.615 1.00 0.00 H new ATOM 210 N HIS A 15 13.897 11.101 2.034 1.00 0.00 N ATOM 211 CA HIS A 15 13.662 11.467 3.427 1.00 0.00 C ATOM 212 C HIS A 15 12.174 11.311 3.718 1.00 0.00 C ATOM 213 O HIS A 15 11.369 11.259 2.794 1.00 0.00 O ATOM 214 CB HIS A 15 14.059 12.940 3.693 1.00 0.00 C ATOM 215 CG HIS A 15 15.524 13.276 3.570 1.00 0.00 C ATOM 216 ND1 HIS A 15 16.599 12.524 3.229 1.00 0.00 N flip ATOM 217 CD2 HIS A 15 16.022 14.523 3.846 1.00 0.00 C flip ATOM 218 CE1 HIS A 15 17.708 13.329 3.318 1.00 0.00 C flip ATOM 219 NE2 HIS A 15 17.325 14.527 3.690 1.00 0.00 N flip ATOM 0 H HIS A 15 13.226 11.519 1.389 1.00 0.00 H new ATOM 0 HA HIS A 15 14.265 10.822 4.066 1.00 0.00 H new ATOM 0 HB2 HIS A 15 13.505 13.573 3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 15 13.732 13.205 4.698 1.00 0.00 H new ATOM 0 HD1 HIS A 15 16.586 11.541 2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 15 15.430 15.375 4.147 1.00 0.00 H new ATOM 0 HE1 HIS A 15 18.725 13.026 3.116 1.00 0.00 H new ATOM 228 N HIS A 16 11.780 11.255 4.972 1.00 0.00 N ATOM 229 CA HIS A 16 10.368 11.111 5.305 1.00 0.00 C ATOM 230 C HIS A 16 9.703 12.454 5.448 1.00 0.00 C ATOM 231 O HIS A 16 10.201 13.339 6.139 1.00 0.00 O ATOM 232 CB HIS A 16 10.160 10.350 6.616 1.00 0.00 C ATOM 233 CG HIS A 16 10.038 8.861 6.521 1.00 0.00 C ATOM 234 ND1 HIS A 16 11.068 7.989 6.785 1.00 0.00 N ATOM 235 CD2 HIS A 16 8.956 8.091 6.284 1.00 0.00 C ATOM 236 CE1 HIS A 16 10.623 6.754 6.720 1.00 0.00 C ATOM 237 NE2 HIS A 16 9.339 6.783 6.421 1.00 0.00 N ATOM 0 H HIS A 16 12.406 11.306 5.775 1.00 0.00 H new ATOM 0 HA HIS A 16 9.924 10.550 4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.994 10.581 7.279 1.00 0.00 H new ATOM 0 HB3 HIS A 16 9.258 10.735 7.093 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.966 8.442 6.032 1.00 0.00 H new ATOM 0 HE1 HIS A 16 11.211 5.863 6.884 1.00 0.00 H new ATOM 0 HE2 HIS A 16 8.734 5.969 6.310 1.00 0.00 H new ATOM 246 N ASN A 17 8.622 12.623 4.751 1.00 0.00 N ATOM 247 CA ASN A 17 7.747 13.762 4.895 1.00 0.00 C ATOM 248 C ASN A 17 6.402 13.256 5.270 1.00 0.00 C ATOM 249 O ASN A 17 6.170 12.029 5.218 1.00 0.00 O ATOM 250 CB ASN A 17 7.679 14.562 3.577 1.00 0.00 C ATOM 251 CG ASN A 17 8.721 15.681 3.459 1.00 0.00 C ATOM 252 OD1 ASN A 17 8.514 16.661 2.730 1.00 0.00 O ATOM 253 ND2 ASN A 17 9.817 15.576 4.191 1.00 0.00 N ATOM 0 H ASN A 17 8.309 11.958 4.044 1.00 0.00 H new ATOM 0 HA ASN A 17 8.125 14.434 5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.807 13.874 2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.684 14.997 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.520 16.314 4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.959 14.757 4.782 1.00 0.00 H new ATOM 260 N GLY A 18 5.536 14.141 5.656 1.00 0.00 N ATOM 261 CA GLY A 18 4.210 13.772 6.062 1.00 0.00 C ATOM 262 C GLY A 18 3.375 13.295 4.901 1.00 0.00 C ATOM 263 O GLY A 18 3.763 13.429 3.730 1.00 0.00 O ATOM 0 H GLY A 18 5.726 15.142 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.267 12.986 6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.723 14.627 6.531 1.00 0.00 H new ATOM 267 N PHE A 19 2.257 12.736 5.207 1.00 0.00 N ATOM 268 CA PHE A 19 1.367 12.232 4.217 1.00 0.00 C ATOM 269 C PHE A 19 0.246 13.198 4.009 1.00 0.00 C ATOM 270 O PHE A 19 -0.229 13.813 4.969 1.00 0.00 O ATOM 271 CB PHE A 19 0.854 10.865 4.624 1.00 0.00 C ATOM 272 CG PHE A 19 1.957 9.835 4.661 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.322 9.142 3.518 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.644 9.583 5.834 1.00 0.00 C ATOM 275 CE1 PHE A 19 3.349 8.217 3.550 1.00 0.00 C ATOM 276 CE2 PHE A 19 3.668 8.660 5.878 1.00 0.00 C ATOM 277 CZ PHE A 19 4.023 7.976 4.736 1.00 0.00 C ATOM 0 H PHE A 19 1.929 12.614 6.165 1.00 0.00 H new ATOM 0 HA PHE A 19 1.898 12.119 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.387 10.931 5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.082 10.544 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.798 9.327 2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.374 10.119 6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.625 7.684 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.190 8.474 6.805 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.825 7.253 4.765 1.00 0.00 H new ATOM 287 N ASP A 20 -0.146 13.368 2.774 1.00 0.00 N ATOM 288 CA ASP A 20 -1.195 14.283 2.401 1.00 0.00 C ATOM 289 C ASP A 20 -2.472 13.749 2.926 1.00 0.00 C ATOM 290 O ASP A 20 -2.979 12.724 2.427 1.00 0.00 O ATOM 291 CB ASP A 20 -1.302 14.385 0.865 1.00 0.00 C ATOM 292 CG ASP A 20 -0.051 14.892 0.193 1.00 0.00 C ATOM 293 OD1 ASP A 20 0.955 14.154 0.141 1.00 0.00 O ATOM 294 OD2 ASP A 20 -0.029 16.032 -0.268 1.00 0.00 O ATOM 0 H ASP A 20 0.261 12.866 1.985 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.978 15.271 2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.545 13.402 0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.131 15.046 0.612 1.00 0.00 H new ATOM 299 N PHE A 21 -3.000 14.390 3.937 1.00 0.00 N ATOM 300 CA PHE A 21 -4.219 13.932 4.512 1.00 0.00 C ATOM 301 C PHE A 21 -5.337 14.078 3.503 1.00 0.00 C ATOM 302 O PHE A 21 -6.260 13.296 3.498 1.00 0.00 O ATOM 303 CB PHE A 21 -4.530 14.629 5.829 1.00 0.00 C ATOM 304 CG PHE A 21 -5.594 13.908 6.586 1.00 0.00 C ATOM 305 CD1 PHE A 21 -5.373 12.603 6.990 1.00 0.00 C ATOM 306 CD2 PHE A 21 -6.803 14.508 6.888 1.00 0.00 C ATOM 307 CE1 PHE A 21 -6.333 11.905 7.683 1.00 0.00 C ATOM 308 CE2 PHE A 21 -7.771 13.815 7.584 1.00 0.00 C ATOM 309 CZ PHE A 21 -7.537 12.511 7.982 1.00 0.00 C ATOM 0 H PHE A 21 -2.602 15.223 4.370 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.114 12.876 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.626 14.687 6.435 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.849 15.653 5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.432 12.126 6.757 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.990 15.525 6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.146 10.887 7.992 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.712 14.290 7.818 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.295 11.968 8.526 1.00 0.00 H new ATOM 319 N ALA A 22 -5.189 15.056 2.627 1.00 0.00 N ATOM 320 CA ALA A 22 -6.071 15.300 1.497 1.00 0.00 C ATOM 321 C ALA A 22 -6.324 14.027 0.694 1.00 0.00 C ATOM 322 O ALA A 22 -7.433 13.775 0.282 1.00 0.00 O ATOM 323 CB ALA A 22 -5.450 16.336 0.585 1.00 0.00 C ATOM 0 H ALA A 22 -4.423 15.727 2.684 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.023 15.655 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.111 16.519 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.302 17.264 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.489 15.972 0.223 1.00 0.00 H new ATOM 329 N VAL A 23 -5.301 13.210 0.524 1.00 0.00 N ATOM 330 CA VAL A 23 -5.420 12.002 -0.277 1.00 0.00 C ATOM 331 C VAL A 23 -6.229 10.932 0.468 1.00 0.00 C ATOM 332 O VAL A 23 -7.107 10.286 -0.109 1.00 0.00 O ATOM 333 CB VAL A 23 -4.022 11.481 -0.708 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.125 10.236 -1.561 1.00 0.00 C ATOM 335 CG2 VAL A 23 -3.288 12.566 -1.475 1.00 0.00 C ATOM 0 H VAL A 23 -4.377 13.360 0.929 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.966 12.245 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.469 11.222 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.126 9.903 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.624 9.448 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.699 10.458 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.307 12.198 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.862 12.837 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.167 13.443 -0.839 1.00 0.00 H new ATOM 345 N ILE A 24 -5.976 10.795 1.759 1.00 0.00 N ATOM 346 CA ILE A 24 -6.721 9.842 2.598 1.00 0.00 C ATOM 347 C ILE A 24 -8.186 10.301 2.698 1.00 0.00 C ATOM 348 O ILE A 24 -9.131 9.518 2.539 1.00 0.00 O ATOM 349 CB ILE A 24 -6.115 9.767 4.035 1.00 0.00 C ATOM 350 CG1 ILE A 24 -4.606 9.447 3.963 1.00 0.00 C ATOM 351 CG2 ILE A 24 -6.850 8.710 4.880 1.00 0.00 C ATOM 352 CD1 ILE A 24 -3.895 9.388 5.301 1.00 0.00 C ATOM 0 H ILE A 24 -5.263 11.327 2.258 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.657 8.854 2.141 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.243 10.737 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.477 8.489 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.120 10.201 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.413 8.673 5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.905 8.974 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.754 7.733 4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.841 9.157 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.984 10.351 5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.347 8.613 5.920 1.00 0.00 H new ATOM 364 N LYS A 25 -8.332 11.589 2.897 1.00 0.00 N ATOM 365 CA LYS A 25 -9.595 12.268 3.060 1.00 0.00 C ATOM 366 C LYS A 25 -10.416 12.140 1.772 1.00 0.00 C ATOM 367 O LYS A 25 -11.638 11.938 1.810 1.00 0.00 O ATOM 368 CB LYS A 25 -9.261 13.737 3.377 1.00 0.00 C ATOM 369 CG LYS A 25 -10.402 14.638 3.793 1.00 0.00 C ATOM 370 CD LYS A 25 -9.876 16.040 4.139 1.00 0.00 C ATOM 371 CE LYS A 25 -9.464 16.833 2.910 1.00 0.00 C ATOM 372 NZ LYS A 25 -8.893 18.147 3.285 1.00 0.00 N ATOM 0 H LYS A 25 -7.535 12.223 2.952 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.193 11.838 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.516 13.748 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.792 14.173 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.133 14.705 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.915 14.212 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.647 16.590 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.022 15.948 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.731 16.265 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.329 16.981 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.621 18.665 2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.602 18.696 3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.054 18.003 3.882 1.00 0.00 H new ATOM 386 N GLU A 26 -9.727 12.223 0.651 1.00 0.00 N ATOM 387 CA GLU A 26 -10.318 12.092 -0.667 1.00 0.00 C ATOM 388 C GLU A 26 -10.832 10.685 -0.886 1.00 0.00 C ATOM 389 O GLU A 26 -11.970 10.492 -1.326 1.00 0.00 O ATOM 390 CB GLU A 26 -9.283 12.420 -1.738 1.00 0.00 C ATOM 391 CG GLU A 26 -9.828 12.405 -3.152 1.00 0.00 C ATOM 392 CD GLU A 26 -10.988 13.331 -3.307 1.00 0.00 C ATOM 393 OE1 GLU A 26 -10.824 14.540 -3.104 1.00 0.00 O ATOM 394 OE2 GLU A 26 -12.073 12.869 -3.652 1.00 0.00 O ATOM 0 H GLU A 26 -8.720 12.387 0.630 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.153 12.790 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.863 13.405 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.464 11.704 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.040 12.690 -3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.134 11.392 -3.413 1.00 0.00 H new ATOM 401 N LEU A 27 -10.023 9.703 -0.533 1.00 0.00 N ATOM 402 CA LEU A 27 -10.398 8.336 -0.784 1.00 0.00 C ATOM 403 C LEU A 27 -11.557 7.930 0.137 1.00 0.00 C ATOM 404 O LEU A 27 -12.411 7.137 -0.240 1.00 0.00 O ATOM 405 CB LEU A 27 -9.192 7.378 -0.672 1.00 0.00 C ATOM 406 CG LEU A 27 -9.380 5.994 -1.313 1.00 0.00 C ATOM 407 CD1 LEU A 27 -9.961 6.140 -2.686 1.00 0.00 C ATOM 408 CD2 LEU A 27 -8.054 5.248 -1.392 1.00 0.00 C ATOM 0 H LEU A 27 -9.118 9.829 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.746 8.257 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.327 7.857 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.957 7.241 0.383 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.064 5.419 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.091 5.154 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.928 6.639 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.288 6.733 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.213 4.271 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.350 5.821 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.650 5.117 -0.388 1.00 0.00 H new ATOM 420 N LYS A 28 -11.607 8.536 1.322 1.00 0.00 N ATOM 421 CA LYS A 28 -12.699 8.298 2.252 1.00 0.00 C ATOM 422 C LYS A 28 -13.993 8.954 1.708 1.00 0.00 C ATOM 423 O LYS A 28 -15.111 8.432 1.874 1.00 0.00 O ATOM 424 CB LYS A 28 -12.336 8.837 3.649 1.00 0.00 C ATOM 425 CG LYS A 28 -13.366 8.563 4.729 1.00 0.00 C ATOM 426 CD LYS A 28 -12.882 9.046 6.087 1.00 0.00 C ATOM 427 CE LYS A 28 -13.921 8.805 7.175 1.00 0.00 C ATOM 428 NZ LYS A 28 -14.264 7.369 7.325 1.00 0.00 N ATOM 0 H LYS A 28 -10.903 9.194 1.657 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.872 7.226 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.386 8.400 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.183 9.914 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.303 9.060 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.574 7.494 4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.957 8.532 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.651 10.110 6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.544 9.186 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.824 9.369 6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.433 7.155 8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.122 7.158 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.478 6.786 6.974 1.00 0.00 H new ATOM 442 N THR A 29 -13.824 10.077 1.029 1.00 0.00 N ATOM 443 CA THR A 29 -14.930 10.749 0.390 1.00 0.00 C ATOM 444 C THR A 29 -15.448 9.869 -0.764 1.00 0.00 C ATOM 445 O THR A 29 -16.660 9.600 -0.850 1.00 0.00 O ATOM 446 CB THR A 29 -14.540 12.163 -0.125 1.00 0.00 C ATOM 447 OG1 THR A 29 -13.979 12.935 0.961 1.00 0.00 O ATOM 448 CG2 THR A 29 -15.768 12.886 -0.646 1.00 0.00 C ATOM 0 H THR A 29 -12.923 10.540 0.909 1.00 0.00 H new ATOM 0 HA THR A 29 -15.718 10.896 1.128 1.00 0.00 H new ATOM 0 HB THR A 29 -13.810 12.053 -0.927 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.161 12.501 1.283 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.483 13.875 -1.004 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.206 12.316 -1.465 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.499 12.987 0.157 1.00 0.00 H new ATOM 456 N ALA A 30 -14.517 9.384 -1.621 1.00 0.00 N ATOM 457 CA ALA A 30 -14.811 8.466 -2.685 1.00 0.00 C ATOM 458 C ALA A 30 -15.539 7.261 -2.145 1.00 0.00 C ATOM 459 O ALA A 30 -16.518 6.904 -2.655 1.00 0.00 O ATOM 460 CB ALA A 30 -13.538 8.057 -3.389 1.00 0.00 C ATOM 0 H ALA A 30 -13.531 9.640 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.458 8.959 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.775 7.361 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.052 8.940 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.868 7.575 -2.678 1.00 0.00 H new ATOM 466 N ALA A 31 -15.068 6.686 -1.083 1.00 0.00 N ATOM 467 CA ALA A 31 -15.750 5.570 -0.407 1.00 0.00 C ATOM 468 C ALA A 31 -17.219 5.876 -0.076 1.00 0.00 C ATOM 469 O ALA A 31 -18.097 5.057 -0.308 1.00 0.00 O ATOM 470 CB ALA A 31 -15.053 5.300 0.881 1.00 0.00 C ATOM 0 H ALA A 31 -14.193 6.963 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.723 4.719 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -15.546 4.475 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.014 5.036 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.088 6.191 1.508 1.00 0.00 H new ATOM 476 N SER A 32 -17.470 7.059 0.420 1.00 0.00 N ATOM 477 CA SER A 32 -18.782 7.426 0.889 1.00 0.00 C ATOM 478 C SER A 32 -19.736 7.734 -0.289 1.00 0.00 C ATOM 479 O SER A 32 -20.907 7.348 -0.278 1.00 0.00 O ATOM 480 CB SER A 32 -18.649 8.641 1.816 1.00 0.00 C ATOM 481 OG SER A 32 -17.672 8.393 2.848 1.00 0.00 O ATOM 0 H SER A 32 -16.771 7.796 0.511 1.00 0.00 H new ATOM 0 HA SER A 32 -19.214 6.589 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.358 9.517 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 32 -19.614 8.866 2.269 1.00 0.00 H new ATOM 0 HG SER A 32 -16.773 8.414 2.459 1.00 0.00 H new ATOM 487 N GLN A 33 -19.222 8.381 -1.306 1.00 0.00 N ATOM 488 CA GLN A 33 -20.025 8.822 -2.444 1.00 0.00 C ATOM 489 C GLN A 33 -20.040 7.784 -3.554 1.00 0.00 C ATOM 490 O GLN A 33 -21.079 7.431 -4.089 1.00 0.00 O ATOM 491 CB GLN A 33 -19.394 10.080 -2.993 1.00 0.00 C ATOM 492 CG GLN A 33 -19.336 11.224 -2.036 1.00 0.00 C ATOM 493 CD GLN A 33 -20.656 11.878 -1.913 1.00 0.00 C ATOM 494 OE1 GLN A 33 -21.480 11.524 -1.075 1.00 0.00 O ATOM 495 NE2 GLN A 33 -20.874 12.819 -2.749 1.00 0.00 N ATOM 0 H GLN A 33 -18.234 8.622 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.049 8.985 -2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.381 9.848 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -19.951 10.392 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.009 10.869 -1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -18.597 11.950 -2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.156 13.076 -3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -21.766 13.314 -2.739 1.00 0.00 H new ATOM 504 N TYR A 34 -18.892 7.268 -3.805 1.00 0.00 N ATOM 505 CA TYR A 34 -18.576 6.425 -4.951 1.00 0.00 C ATOM 506 C TYR A 34 -18.465 4.977 -4.542 1.00 0.00 C ATOM 507 O TYR A 34 -18.976 4.089 -5.221 1.00 0.00 O ATOM 508 CB TYR A 34 -17.266 6.958 -5.581 1.00 0.00 C ATOM 509 CG TYR A 34 -17.456 8.252 -6.331 1.00 0.00 C ATOM 510 CD1 TYR A 34 -17.348 9.472 -5.683 1.00 0.00 C ATOM 511 CD2 TYR A 34 -17.797 8.252 -7.673 1.00 0.00 C ATOM 512 CE1 TYR A 34 -17.566 10.660 -6.344 1.00 0.00 C ATOM 513 CE2 TYR A 34 -18.009 9.437 -8.355 1.00 0.00 C ATOM 514 CZ TYR A 34 -17.897 10.640 -7.684 1.00 0.00 C ATOM 515 OH TYR A 34 -18.127 11.825 -8.349 1.00 0.00 O ATOM 0 H TYR A 34 -18.088 7.418 -3.196 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.375 6.467 -5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -16.525 7.106 -4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.864 6.206 -6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.087 9.492 -4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -17.899 7.312 -8.196 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.479 11.600 -5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -18.260 9.422 -9.405 1.00 0.00 H new ATOM 0 HH TYR A 34 -18.348 11.637 -9.285 1.00 0.00 H new ATOM 525 N GLY A 35 -17.864 4.753 -3.406 1.00 0.00 N ATOM 526 CA GLY A 35 -17.699 3.445 -2.886 1.00 0.00 C ATOM 527 C GLY A 35 -16.811 2.575 -3.717 1.00 0.00 C ATOM 528 O GLY A 35 -16.016 3.054 -4.536 1.00 0.00 O ATOM 0 H GLY A 35 -17.475 5.489 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.287 3.513 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.677 2.972 -2.799 1.00 0.00 H new ATOM 532 N ALA A 36 -16.962 1.312 -3.522 1.00 0.00 N ATOM 533 CA ALA A 36 -16.193 0.328 -4.205 1.00 0.00 C ATOM 534 C ALA A 36 -16.750 0.085 -5.564 1.00 0.00 C ATOM 535 O ALA A 36 -17.939 0.299 -5.809 1.00 0.00 O ATOM 536 CB ALA A 36 -16.201 -0.922 -3.414 1.00 0.00 C ATOM 0 H ALA A 36 -17.640 0.923 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.168 0.681 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.614 -1.682 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.768 -0.734 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.227 -1.272 -3.298 1.00 0.00 H new ATOM 542 N THR A 37 -15.876 -0.326 -6.442 1.00 0.00 N ATOM 543 CA THR A 37 -16.139 -0.587 -7.844 1.00 0.00 C ATOM 544 C THR A 37 -16.535 0.657 -8.651 1.00 0.00 C ATOM 545 O THR A 37 -16.912 0.564 -9.817 1.00 0.00 O ATOM 546 CB THR A 37 -17.053 -1.789 -8.121 1.00 0.00 C ATOM 547 OG1 THR A 37 -18.335 -1.677 -7.514 1.00 0.00 O ATOM 548 CG2 THR A 37 -16.413 -3.036 -7.662 1.00 0.00 C ATOM 0 H THR A 37 -14.903 -0.500 -6.190 1.00 0.00 H new ATOM 0 HA THR A 37 -15.162 -0.889 -8.223 1.00 0.00 H new ATOM 0 HB THR A 37 -17.204 -1.808 -9.200 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.455 -0.768 -7.168 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.073 -3.880 -7.865 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.470 -3.177 -8.191 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.222 -2.974 -6.591 1.00 0.00 H new ATOM 556 N ALA A 38 -16.445 1.822 -8.031 1.00 0.00 N ATOM 557 CA ALA A 38 -16.551 3.029 -8.757 1.00 0.00 C ATOM 558 C ALA A 38 -15.140 3.354 -9.162 1.00 0.00 C ATOM 559 O ALA A 38 -14.264 3.447 -8.279 1.00 0.00 O ATOM 560 CB ALA A 38 -17.128 4.125 -7.897 1.00 0.00 C ATOM 0 H ALA A 38 -16.299 1.934 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.216 2.936 -9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.200 5.044 -8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.121 3.834 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.481 4.290 -7.036 1.00 0.00 H new ATOM 566 N PRO A 39 -14.875 3.456 -10.491 1.00 0.00 N ATOM 567 CA PRO A 39 -13.531 3.692 -11.063 1.00 0.00 C ATOM 568 C PRO A 39 -12.696 4.706 -10.302 1.00 0.00 C ATOM 569 O PRO A 39 -11.481 4.542 -10.176 1.00 0.00 O ATOM 570 CB PRO A 39 -13.840 4.236 -12.439 1.00 0.00 C ATOM 571 CG PRO A 39 -15.093 3.560 -12.831 1.00 0.00 C ATOM 572 CD PRO A 39 -15.881 3.335 -11.566 1.00 0.00 C ATOM 0 HA PRO A 39 -12.938 2.778 -11.039 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.963 5.319 -12.419 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.035 4.019 -13.142 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.658 4.171 -13.535 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.882 2.613 -13.329 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.675 4.073 -11.454 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.355 2.353 -11.560 1.00 0.00 H new ATOM 580 N TYR A 40 -13.357 5.727 -9.797 1.00 0.00 N ATOM 581 CA TYR A 40 -12.729 6.790 -9.059 1.00 0.00 C ATOM 582 C TYR A 40 -11.953 6.237 -7.862 1.00 0.00 C ATOM 583 O TYR A 40 -10.717 6.294 -7.832 1.00 0.00 O ATOM 584 CB TYR A 40 -13.802 7.747 -8.555 1.00 0.00 C ATOM 585 CG TYR A 40 -13.280 9.019 -7.941 1.00 0.00 C ATOM 586 CD1 TYR A 40 -12.364 9.816 -8.612 1.00 0.00 C ATOM 587 CD2 TYR A 40 -13.720 9.432 -6.700 1.00 0.00 C ATOM 588 CE1 TYR A 40 -11.895 10.988 -8.056 1.00 0.00 C ATOM 589 CE2 TYR A 40 -13.260 10.597 -6.134 1.00 0.00 C ATOM 590 CZ TYR A 40 -12.348 11.375 -6.810 1.00 0.00 C ATOM 591 OH TYR A 40 -11.899 12.554 -6.238 1.00 0.00 O ATOM 0 H TYR A 40 -14.366 5.838 -9.893 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.033 7.309 -9.718 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.458 8.005 -9.387 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.413 7.228 -7.816 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.012 9.513 -9.587 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.438 8.829 -6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.181 11.597 -8.590 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.614 10.901 -5.160 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.293 12.656 -5.347 1.00 0.00 H new ATOM 601 N THR A 41 -12.690 5.670 -6.905 1.00 0.00 N ATOM 602 CA THR A 41 -12.163 5.176 -5.665 1.00 0.00 C ATOM 603 C THR A 41 -10.975 4.210 -5.870 1.00 0.00 C ATOM 604 O THR A 41 -9.903 4.415 -5.308 1.00 0.00 O ATOM 605 CB THR A 41 -13.294 4.491 -4.893 1.00 0.00 C ATOM 606 OG1 THR A 41 -14.462 5.303 -4.977 1.00 0.00 O ATOM 607 CG2 THR A 41 -12.939 4.312 -3.447 1.00 0.00 C ATOM 0 H THR A 41 -13.699 5.546 -6.990 1.00 0.00 H new ATOM 0 HA THR A 41 -11.773 6.019 -5.095 1.00 0.00 H new ATOM 0 HB THR A 41 -13.465 3.508 -5.332 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.258 4.745 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.763 3.823 -2.928 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.043 3.697 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.752 5.286 -2.995 1.00 0.00 H new ATOM 615 N LEU A 42 -11.129 3.204 -6.711 1.00 0.00 N ATOM 616 CA LEU A 42 -10.037 2.272 -6.883 1.00 0.00 C ATOM 617 C LEU A 42 -8.850 2.809 -7.677 1.00 0.00 C ATOM 618 O LEU A 42 -7.724 2.350 -7.482 1.00 0.00 O ATOM 619 CB LEU A 42 -10.417 0.798 -7.211 1.00 0.00 C ATOM 620 CG LEU A 42 -11.542 0.495 -8.212 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.894 0.714 -7.581 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.388 1.288 -9.503 1.00 0.00 C ATOM 0 H LEU A 42 -11.965 3.017 -7.264 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.668 2.189 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.516 0.306 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.683 0.316 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.465 -0.558 -8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.675 0.493 -8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.004 0.056 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.981 1.752 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.205 1.042 -10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.410 2.355 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.438 1.036 -9.974 1.00 0.00 H new ATOM 634 N ALA A 43 -9.075 3.824 -8.517 1.00 0.00 N ATOM 635 CA ALA A 43 -7.969 4.466 -9.211 1.00 0.00 C ATOM 636 C ALA A 43 -7.095 5.169 -8.196 1.00 0.00 C ATOM 637 O ALA A 43 -5.856 5.211 -8.312 1.00 0.00 O ATOM 638 CB ALA A 43 -8.464 5.451 -10.248 1.00 0.00 C ATOM 0 H ALA A 43 -9.996 4.209 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.393 3.703 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.612 5.912 -10.747 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.076 4.929 -10.983 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.061 6.223 -9.761 1.00 0.00 H new ATOM 644 N ILE A 44 -7.733 5.665 -7.179 1.00 0.00 N ATOM 645 CA ILE A 44 -7.056 6.336 -6.118 1.00 0.00 C ATOM 646 C ILE A 44 -6.373 5.310 -5.205 1.00 0.00 C ATOM 647 O ILE A 44 -5.285 5.557 -4.734 1.00 0.00 O ATOM 648 CB ILE A 44 -8.009 7.240 -5.331 1.00 0.00 C ATOM 649 CG1 ILE A 44 -8.668 8.230 -6.278 1.00 0.00 C ATOM 650 CG2 ILE A 44 -7.262 7.998 -4.220 1.00 0.00 C ATOM 651 CD1 ILE A 44 -9.830 8.966 -5.673 1.00 0.00 C ATOM 0 H ILE A 44 -8.745 5.613 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.290 6.981 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.770 6.615 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.923 8.954 -6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.010 7.697 -7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.963 8.632 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.812 7.283 -3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.481 8.616 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.248 9.654 -6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.595 8.251 -5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.491 9.528 -4.802 1.00 0.00 H new ATOM 663 N VAL A 45 -7.001 4.146 -4.998 1.00 0.00 N ATOM 664 CA VAL A 45 -6.377 3.046 -4.206 1.00 0.00 C ATOM 665 C VAL A 45 -5.009 2.682 -4.808 1.00 0.00 C ATOM 666 O VAL A 45 -3.983 2.593 -4.109 1.00 0.00 O ATOM 667 CB VAL A 45 -7.245 1.748 -4.177 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.541 0.632 -3.409 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.594 1.991 -3.562 1.00 0.00 C ATOM 0 H VAL A 45 -7.931 3.930 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.281 3.419 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.383 1.444 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.169 -0.259 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.590 0.404 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.361 0.954 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.166 1.063 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.469 2.341 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.127 2.745 -4.141 1.00 0.00 H new ATOM 679 N GLU A 46 -4.987 2.504 -6.108 1.00 0.00 N ATOM 680 CA GLU A 46 -3.753 2.196 -6.790 1.00 0.00 C ATOM 681 C GLU A 46 -2.798 3.384 -6.829 1.00 0.00 C ATOM 682 O GLU A 46 -1.602 3.203 -7.027 1.00 0.00 O ATOM 683 CB GLU A 46 -3.978 1.563 -8.167 1.00 0.00 C ATOM 684 CG GLU A 46 -4.993 2.260 -9.008 1.00 0.00 C ATOM 685 CD GLU A 46 -5.184 1.594 -10.345 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.337 1.770 -11.238 1.00 0.00 O ATOM 687 OE2 GLU A 46 -6.180 0.857 -10.518 1.00 0.00 O ATOM 0 H GLU A 46 -5.806 2.567 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.257 1.431 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.030 1.545 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.287 0.527 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.945 2.285 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.686 3.295 -9.161 1.00 0.00 H new ATOM 694 N SER A 47 -3.326 4.589 -6.647 1.00 0.00 N ATOM 695 CA SER A 47 -2.484 5.773 -6.543 1.00 0.00 C ATOM 696 C SER A 47 -1.866 5.899 -5.127 1.00 0.00 C ATOM 697 O SER A 47 -0.707 6.244 -4.993 1.00 0.00 O ATOM 698 CB SER A 47 -3.272 7.034 -6.890 1.00 0.00 C ATOM 699 OG SER A 47 -3.845 6.946 -8.180 1.00 0.00 O ATOM 0 H SER A 47 -4.327 4.771 -6.569 1.00 0.00 H new ATOM 0 HA SER A 47 -1.672 5.663 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.058 7.189 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.614 7.901 -6.841 1.00 0.00 H new ATOM 0 HG SER A 47 -4.644 6.380 -8.145 1.00 0.00 H new ATOM 705 N VAL A 48 -2.635 5.579 -4.074 1.00 0.00 N ATOM 706 CA VAL A 48 -2.130 5.686 -2.696 1.00 0.00 C ATOM 707 C VAL A 48 -0.992 4.722 -2.446 1.00 0.00 C ATOM 708 O VAL A 48 0.003 5.080 -1.829 1.00 0.00 O ATOM 709 CB VAL A 48 -3.232 5.557 -1.582 1.00 0.00 C ATOM 710 CG1 VAL A 48 -4.274 6.649 -1.718 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.899 4.181 -1.553 1.00 0.00 C ATOM 0 H VAL A 48 -3.597 5.248 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.755 6.706 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.715 5.676 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.024 6.536 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.795 7.623 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.754 6.574 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.649 4.157 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.377 3.988 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.147 3.416 -1.362 1.00 0.00 H new ATOM 721 N ALA A 49 -1.096 3.535 -3.004 1.00 0.00 N ATOM 722 CA ALA A 49 -0.057 2.534 -2.826 1.00 0.00 C ATOM 723 C ALA A 49 1.019 2.676 -3.887 1.00 0.00 C ATOM 724 O ALA A 49 1.903 1.847 -3.987 1.00 0.00 O ATOM 725 CB ALA A 49 -0.643 1.132 -2.842 1.00 0.00 C ATOM 0 H ALA A 49 -1.882 3.237 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 49 0.402 2.699 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.155 0.402 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.367 1.031 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.138 0.955 -3.797 1.00 0.00 H new ATOM 731 N ASP A 50 0.924 3.731 -4.673 1.00 0.00 N ATOM 732 CA ASP A 50 1.886 4.022 -5.746 1.00 0.00 C ATOM 733 C ASP A 50 2.966 4.938 -5.182 1.00 0.00 C ATOM 734 O ASP A 50 3.924 5.336 -5.860 1.00 0.00 O ATOM 735 CB ASP A 50 1.135 4.671 -6.928 1.00 0.00 C ATOM 736 CG ASP A 50 1.964 4.925 -8.164 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.394 3.952 -8.826 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.174 6.099 -8.521 1.00 0.00 O ATOM 0 H ASP A 50 0.177 4.421 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 50 2.363 3.114 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.297 4.029 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.715 5.619 -6.592 1.00 0.00 H new ATOM 743 N ASN A 51 2.808 5.225 -3.913 1.00 0.00 N ATOM 744 CA ASN A 51 3.730 6.080 -3.155 1.00 0.00 C ATOM 745 C ASN A 51 4.575 5.206 -2.270 1.00 0.00 C ATOM 746 O ASN A 51 4.334 4.000 -2.164 1.00 0.00 O ATOM 747 CB ASN A 51 2.969 7.076 -2.232 1.00 0.00 C ATOM 748 CG ASN A 51 2.066 8.053 -2.954 1.00 0.00 C ATOM 749 OD1 ASN A 51 2.496 9.125 -3.397 1.00 0.00 O ATOM 750 ND2 ASN A 51 0.809 7.749 -3.002 1.00 0.00 N ATOM 0 H ASN A 51 2.029 4.873 -3.357 1.00 0.00 H new ATOM 0 HA ASN A 51 4.328 6.644 -3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.369 6.505 -1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.699 7.640 -1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.142 8.402 -3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.485 6.857 -2.628 1.00 0.00 H new ATOM 757 N TRP A 52 5.551 5.787 -1.634 1.00 0.00 N ATOM 758 CA TRP A 52 6.299 5.065 -0.660 1.00 0.00 C ATOM 759 C TRP A 52 5.661 5.324 0.679 1.00 0.00 C ATOM 760 O TRP A 52 5.640 6.461 1.168 1.00 0.00 O ATOM 761 CB TRP A 52 7.793 5.442 -0.660 1.00 0.00 C ATOM 762 CG TRP A 52 8.456 5.245 -1.987 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.613 4.068 -2.658 1.00 0.00 C ATOM 764 CD2 TRP A 52 9.072 6.253 -2.794 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.259 4.294 -3.846 1.00 0.00 N ATOM 766 CE2 TRP A 52 9.553 5.620 -3.949 1.00 0.00 C ATOM 767 CE3 TRP A 52 9.250 7.631 -2.664 1.00 0.00 C ATOM 768 CZ2 TRP A 52 10.207 6.308 -4.959 1.00 0.00 C ATOM 769 CZ3 TRP A 52 9.900 8.311 -3.667 1.00 0.00 C ATOM 770 CH2 TRP A 52 10.368 7.651 -4.802 1.00 0.00 C ATOM 0 H TRP A 52 5.842 6.754 -1.775 1.00 0.00 H new ATOM 0 HA TRP A 52 6.275 4.001 -0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.897 6.485 -0.362 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.311 4.843 0.089 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.279 3.103 -2.306 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.484 3.583 -4.542 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.884 8.153 -1.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.575 5.798 -5.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.051 9.376 -3.574 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.869 8.217 -5.573 1.00 0.00 H new ATOM 781 N LEU A 53 5.061 4.307 1.196 1.00 0.00 N ATOM 782 CA LEU A 53 4.415 4.361 2.477 1.00 0.00 C ATOM 783 C LEU A 53 4.552 3.028 3.158 1.00 0.00 C ATOM 784 O LEU A 53 4.859 2.020 2.510 1.00 0.00 O ATOM 785 CB LEU A 53 2.922 4.844 2.403 1.00 0.00 C ATOM 786 CG LEU A 53 1.870 3.959 1.712 1.00 0.00 C ATOM 787 CD1 LEU A 53 0.498 4.617 1.798 1.00 0.00 C ATOM 788 CD2 LEU A 53 2.212 3.678 0.260 1.00 0.00 C ATOM 0 H LEU A 53 5.001 3.397 0.739 1.00 0.00 H new ATOM 0 HA LEU A 53 4.919 5.120 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.584 5.015 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.917 5.811 1.899 1.00 0.00 H new ATOM 0 HG LEU A 53 1.860 3.003 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.241 3.984 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.223 4.750 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.529 5.589 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.438 3.050 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.272 4.618 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.172 3.164 0.205 1.00 0.00 H new ATOM 800 N THR A 54 4.317 3.010 4.428 1.00 0.00 N ATOM 801 CA THR A 54 4.590 1.843 5.204 1.00 0.00 C ATOM 802 C THR A 54 3.340 0.984 5.328 1.00 0.00 C ATOM 803 O THR A 54 2.220 1.468 5.094 1.00 0.00 O ATOM 804 CB THR A 54 5.077 2.241 6.617 1.00 0.00 C ATOM 805 OG1 THR A 54 3.995 2.821 7.354 1.00 0.00 O ATOM 806 CG2 THR A 54 6.203 3.253 6.521 1.00 0.00 C ATOM 0 H THR A 54 3.934 3.795 4.955 1.00 0.00 H new ATOM 0 HA THR A 54 5.370 1.273 4.699 1.00 0.00 H new ATOM 0 HB THR A 54 5.437 1.346 7.124 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.061 3.798 7.317 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.535 3.524 7.523 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.036 2.819 5.967 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.848 4.144 6.003 1.00 0.00 H new ATOM 814 N PRO A 55 3.498 -0.306 5.680 1.00 0.00 N ATOM 815 CA PRO A 55 2.365 -1.185 5.984 1.00 0.00 C ATOM 816 C PRO A 55 1.544 -0.643 7.171 1.00 0.00 C ATOM 817 O PRO A 55 0.343 -0.952 7.317 1.00 0.00 O ATOM 818 CB PRO A 55 3.035 -2.507 6.362 1.00 0.00 C ATOM 819 CG PRO A 55 4.343 -2.455 5.668 1.00 0.00 C ATOM 820 CD PRO A 55 4.780 -1.034 5.740 1.00 0.00 C ATOM 0 HA PRO A 55 1.667 -1.274 5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.159 -2.598 7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.443 -3.362 6.036 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.068 -3.112 6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.251 -2.784 4.633 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.325 -0.822 6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.437 -0.768 4.912 1.00 0.00 H new ATOM 828 N THR A 56 2.200 0.168 8.003 1.00 0.00 N ATOM 829 CA THR A 56 1.571 0.824 9.115 1.00 0.00 C ATOM 830 C THR A 56 0.594 1.865 8.561 1.00 0.00 C ATOM 831 O THR A 56 -0.584 1.921 8.954 1.00 0.00 O ATOM 832 CB THR A 56 2.648 1.543 9.952 1.00 0.00 C ATOM 833 OG1 THR A 56 3.822 0.697 10.026 1.00 0.00 O ATOM 834 CG2 THR A 56 2.142 1.825 11.371 1.00 0.00 C ATOM 0 H THR A 56 3.193 0.380 7.909 1.00 0.00 H new ATOM 0 HA THR A 56 1.047 0.100 9.738 1.00 0.00 H new ATOM 0 HB THR A 56 2.888 2.494 9.476 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.515 1.145 10.555 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.920 2.333 11.941 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.256 2.459 11.322 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.889 0.885 11.861 1.00 0.00 H new ATOM 842 N ASP A 57 1.073 2.639 7.572 1.00 0.00 N ATOM 843 CA ASP A 57 0.276 3.662 6.919 1.00 0.00 C ATOM 844 C ASP A 57 -0.824 3.030 6.132 1.00 0.00 C ATOM 845 O ASP A 57 -1.925 3.551 6.073 1.00 0.00 O ATOM 846 CB ASP A 57 1.123 4.581 6.026 1.00 0.00 C ATOM 847 CG ASP A 57 2.077 5.435 6.816 1.00 0.00 C ATOM 848 OD1 ASP A 57 1.609 6.315 7.588 1.00 0.00 O ATOM 849 OD2 ASP A 57 3.298 5.214 6.715 1.00 0.00 O ATOM 0 H ASP A 57 2.024 2.564 7.212 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.155 4.289 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.686 3.974 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.463 5.224 5.443 1.00 0.00 H new ATOM 854 N TRP A 58 -0.512 1.893 5.537 1.00 0.00 N ATOM 855 CA TRP A 58 -1.471 1.074 4.829 1.00 0.00 C ATOM 856 C TRP A 58 -2.676 0.734 5.692 1.00 0.00 C ATOM 857 O TRP A 58 -3.808 1.062 5.336 1.00 0.00 O ATOM 858 CB TRP A 58 -0.816 -0.216 4.334 1.00 0.00 C ATOM 859 CG TRP A 58 -0.086 -0.082 3.042 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.042 1.040 2.293 1.00 0.00 C ATOM 861 CD2 TRP A 58 0.583 -1.121 2.319 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.748 0.767 1.150 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.092 -0.549 1.144 1.00 0.00 C ATOM 864 CE3 TRP A 58 0.805 -2.475 2.553 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.800 -1.285 0.203 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.510 -3.203 1.616 1.00 0.00 C ATOM 867 CH2 TRP A 58 1.996 -2.608 0.461 1.00 0.00 C ATOM 0 H TRP A 58 0.433 1.509 5.534 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.819 1.657 3.976 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.120 -0.570 5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.585 -0.980 4.225 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.355 2.009 2.558 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.978 1.442 0.421 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.433 -2.947 3.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.180 -0.826 -0.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.686 -4.255 1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.543 -3.208 -0.251 1.00 0.00 H new ATOM 878 N ASN A 59 -2.445 0.092 6.822 1.00 0.00 N ATOM 879 CA ASN A 59 -3.550 -0.313 7.701 1.00 0.00 C ATOM 880 C ASN A 59 -4.381 0.871 8.158 1.00 0.00 C ATOM 881 O ASN A 59 -5.601 0.775 8.246 1.00 0.00 O ATOM 882 CB ASN A 59 -3.073 -1.164 8.873 1.00 0.00 C ATOM 883 CG ASN A 59 -2.760 -2.591 8.457 1.00 0.00 C ATOM 884 OD1 ASN A 59 -3.373 -3.136 7.535 1.00 0.00 O ATOM 885 ND2 ASN A 59 -1.808 -3.194 9.093 1.00 0.00 N ATOM 0 H ASN A 59 -1.517 -0.163 7.159 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.206 -0.945 7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.183 -0.711 9.310 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.839 -1.173 9.648 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.546 -4.146 8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.319 -2.717 9.851 1.00 0.00 H new ATOM 892 N THR A 60 -3.717 1.996 8.341 1.00 0.00 N ATOM 893 CA THR A 60 -4.376 3.233 8.710 1.00 0.00 C ATOM 894 C THR A 60 -5.248 3.751 7.518 1.00 0.00 C ATOM 895 O THR A 60 -6.405 4.185 7.699 1.00 0.00 O ATOM 896 CB THR A 60 -3.309 4.275 9.106 1.00 0.00 C ATOM 897 OG1 THR A 60 -2.438 3.680 10.089 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.953 5.511 9.712 1.00 0.00 C ATOM 0 H THR A 60 -2.706 2.078 8.238 1.00 0.00 H new ATOM 0 HA THR A 60 -5.036 3.062 9.561 1.00 0.00 H new ATOM 0 HB THR A 60 -2.756 4.572 8.215 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.789 3.097 9.641 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.179 6.229 9.982 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.629 5.962 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.514 5.229 10.603 1.00 0.00 H new ATOM 906 N LEU A 61 -4.704 3.623 6.315 1.00 0.00 N ATOM 907 CA LEU A 61 -5.348 4.052 5.090 1.00 0.00 C ATOM 908 C LEU A 61 -6.666 3.296 4.928 1.00 0.00 C ATOM 909 O LEU A 61 -7.713 3.902 4.992 1.00 0.00 O ATOM 910 CB LEU A 61 -4.370 3.822 3.882 1.00 0.00 C ATOM 911 CG LEU A 61 -4.715 4.397 2.475 1.00 0.00 C ATOM 912 CD1 LEU A 61 -5.870 3.679 1.802 1.00 0.00 C ATOM 913 CD2 LEU A 61 -4.987 5.888 2.548 1.00 0.00 C ATOM 0 H LEU A 61 -3.784 3.209 6.165 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.580 5.116 5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.400 4.229 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.243 2.745 3.769 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.835 4.225 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.059 4.128 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.619 2.626 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.763 3.767 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.225 6.264 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.828 6.072 3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.103 6.401 2.928 1.00 0.00 H new ATOM 925 N VAL A 62 -6.600 1.962 4.845 1.00 0.00 N ATOM 926 CA VAL A 62 -7.797 1.136 4.591 1.00 0.00 C ATOM 927 C VAL A 62 -8.890 1.374 5.639 1.00 0.00 C ATOM 928 O VAL A 62 -10.050 1.632 5.300 1.00 0.00 O ATOM 929 CB VAL A 62 -7.460 -0.407 4.464 1.00 0.00 C ATOM 930 CG1 VAL A 62 -6.674 -0.932 5.661 1.00 0.00 C ATOM 931 CG2 VAL A 62 -8.721 -1.237 4.276 1.00 0.00 C ATOM 0 H VAL A 62 -5.737 1.429 4.949 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.184 1.459 3.624 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.832 -0.507 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.469 -1.994 5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.733 -0.388 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.258 -0.789 6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.454 -2.290 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.380 -1.097 5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.234 -0.919 3.368 1.00 0.00 H new ATOM 941 N ARG A 63 -8.484 1.360 6.888 1.00 0.00 N ATOM 942 CA ARG A 63 -9.439 1.476 8.018 1.00 0.00 C ATOM 943 C ARG A 63 -10.149 2.838 8.104 1.00 0.00 C ATOM 944 O ARG A 63 -11.253 2.940 8.676 1.00 0.00 O ATOM 945 CB ARG A 63 -8.791 1.149 9.363 1.00 0.00 C ATOM 946 CG ARG A 63 -7.752 2.147 9.798 1.00 0.00 C ATOM 947 CD ARG A 63 -7.155 1.779 11.119 1.00 0.00 C ATOM 948 NE ARG A 63 -8.115 1.908 12.230 1.00 0.00 N ATOM 949 CZ ARG A 63 -7.958 1.398 13.472 1.00 0.00 C ATOM 950 NH1 ARG A 63 -6.889 0.652 13.778 1.00 0.00 N ATOM 951 NH2 ARG A 63 -8.878 1.640 14.397 1.00 0.00 N ATOM 0 H ARG A 63 -7.507 1.271 7.169 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.202 0.729 7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.568 1.093 10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.331 0.163 9.303 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.965 2.205 9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.203 3.137 9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.791 0.753 11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.292 2.416 11.314 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.973 2.428 12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.180 0.462 13.070 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.784 0.274 14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.695 2.206 14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.768 1.260 15.337 1.00 0.00 H new ATOM 965 N ALA A 64 -9.544 3.874 7.576 1.00 0.00 N ATOM 966 CA ALA A 64 -10.164 5.183 7.637 1.00 0.00 C ATOM 967 C ALA A 64 -10.925 5.405 6.362 1.00 0.00 C ATOM 968 O ALA A 64 -12.092 5.814 6.361 1.00 0.00 O ATOM 969 CB ALA A 64 -9.105 6.260 7.824 1.00 0.00 C ATOM 0 H ALA A 64 -8.639 3.843 7.106 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.845 5.235 8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.584 7.238 7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.563 6.080 8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.409 6.235 6.986 1.00 0.00 H new ATOM 975 N VAL A 65 -10.249 5.088 5.324 1.00 0.00 N ATOM 976 CA VAL A 65 -10.726 5.219 3.972 1.00 0.00 C ATOM 977 C VAL A 65 -12.060 4.480 3.695 1.00 0.00 C ATOM 978 O VAL A 65 -13.039 5.122 3.319 1.00 0.00 O ATOM 979 CB VAL A 65 -9.601 4.880 2.970 1.00 0.00 C ATOM 980 CG1 VAL A 65 -10.124 4.575 1.622 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.634 6.045 2.887 1.00 0.00 C ATOM 0 H VAL A 65 -9.303 4.711 5.380 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.991 6.266 3.824 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.093 3.987 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.295 4.343 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.796 3.718 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.668 5.438 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.839 5.808 2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.165 6.935 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.202 6.230 3.870 1.00 0.00 H new ATOM 991 N LEU A 66 -12.137 3.180 3.934 1.00 0.00 N ATOM 992 CA LEU A 66 -13.401 2.458 3.710 1.00 0.00 C ATOM 993 C LEU A 66 -13.870 1.803 5.000 1.00 0.00 C ATOM 994 O LEU A 66 -13.170 1.864 6.031 1.00 0.00 O ATOM 995 CB LEU A 66 -13.367 1.425 2.536 1.00 0.00 C ATOM 996 CG LEU A 66 -13.798 1.902 1.124 1.00 0.00 C ATOM 997 CD1 LEU A 66 -12.850 2.888 0.521 1.00 0.00 C ATOM 998 CD2 LEU A 66 -13.965 0.728 0.197 1.00 0.00 C ATOM 0 H LEU A 66 -11.366 2.606 4.275 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.120 3.214 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.350 1.040 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.005 0.586 2.813 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.753 2.412 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.209 3.181 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.785 3.769 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.863 2.434 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.267 1.083 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.020 0.192 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.729 0.058 0.592 1.00 0.00 H new ATOM 1010 N SER A 67 -15.052 1.218 4.968 1.00 0.00 N ATOM 1011 CA SER A 67 -15.646 0.591 6.131 1.00 0.00 C ATOM 1012 C SER A 67 -16.694 -0.460 5.704 1.00 0.00 C ATOM 1013 O SER A 67 -17.637 -0.146 4.959 1.00 0.00 O ATOM 1014 CB SER A 67 -16.310 1.665 7.011 1.00 0.00 C ATOM 1015 OG SER A 67 -15.359 2.646 7.445 1.00 0.00 O ATOM 0 H SER A 67 -15.630 1.165 4.129 1.00 0.00 H new ATOM 0 HA SER A 67 -14.863 0.088 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.109 2.153 6.452 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.770 1.193 7.879 1.00 0.00 H new ATOM 0 HG SER A 67 -15.810 3.316 8.000 1.00 0.00 H new ATOM 1021 N GLY A 68 -16.477 -1.696 6.110 1.00 0.00 N ATOM 1022 CA GLY A 68 -17.441 -2.755 5.900 1.00 0.00 C ATOM 1023 C GLY A 68 -16.850 -3.906 5.141 1.00 0.00 C ATOM 1024 O GLY A 68 -16.219 -4.808 5.724 1.00 0.00 O ATOM 0 H GLY A 68 -15.629 -1.992 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.810 -3.107 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -18.299 -2.362 5.354 1.00 0.00 H new ATOM 1028 N GLY A 69 -17.010 -3.858 3.848 1.00 0.00 N ATOM 1029 CA GLY A 69 -16.522 -4.895 2.976 1.00 0.00 C ATOM 1030 C GLY A 69 -15.019 -4.841 2.806 1.00 0.00 C ATOM 1031 O GLY A 69 -14.390 -5.834 2.409 1.00 0.00 O ATOM 0 H GLY A 69 -17.485 -3.095 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.805 -5.868 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.000 -4.801 2.001 1.00 0.00 H new ATOM 1035 N ASP A 70 -14.463 -3.666 3.095 1.00 0.00 N ATOM 1036 CA ASP A 70 -13.041 -3.341 2.928 1.00 0.00 C ATOM 1037 C ASP A 70 -12.145 -4.444 3.442 1.00 0.00 C ATOM 1038 O ASP A 70 -11.308 -4.944 2.722 1.00 0.00 O ATOM 1039 CB ASP A 70 -12.687 -1.994 3.638 1.00 0.00 C ATOM 1040 CG ASP A 70 -12.719 -2.057 5.166 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -13.795 -2.295 5.748 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -11.666 -1.926 5.802 1.00 0.00 O ATOM 0 H ASP A 70 -15.005 -2.885 3.465 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.865 -3.235 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.693 -1.680 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.385 -1.227 3.304 1.00 0.00 H new ATOM 1047 N HIS A 71 -12.384 -4.887 4.638 1.00 0.00 N ATOM 1048 CA HIS A 71 -11.507 -5.834 5.242 1.00 0.00 C ATOM 1049 C HIS A 71 -11.597 -7.181 4.540 1.00 0.00 C ATOM 1050 O HIS A 71 -10.579 -7.768 4.189 1.00 0.00 O ATOM 1051 CB HIS A 71 -11.778 -5.955 6.737 1.00 0.00 C ATOM 1052 CG HIS A 71 -10.631 -6.567 7.483 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -9.634 -5.816 8.073 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -10.298 -7.853 7.701 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -8.749 -6.617 8.610 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -9.127 -7.855 8.398 1.00 0.00 N ATOM 0 H HIS A 71 -13.179 -4.607 5.212 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.485 -5.474 5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -11.986 -4.966 7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.672 -6.559 6.893 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.855 -8.722 7.383 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.858 -6.310 9.138 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.624 -8.687 8.706 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.799 -7.629 4.279 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.980 -8.908 3.661 1.00 0.00 C ATOM 1067 C LEU A 72 -12.361 -9.034 2.269 1.00 0.00 C ATOM 1068 O LEU A 72 -11.523 -9.900 2.067 1.00 0.00 O ATOM 1069 CB LEU A 72 -14.399 -9.514 3.848 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.619 -8.611 3.639 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.998 -8.469 2.182 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.790 -9.094 4.475 1.00 0.00 C ATOM 0 H LEU A 72 -13.661 -7.125 4.486 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.361 -9.591 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.491 -10.357 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.456 -9.917 4.859 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.342 -7.613 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.868 -7.819 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -15.164 -8.036 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.235 -9.450 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.647 -8.440 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.050 -10.112 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.515 -9.078 5.530 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.658 -8.154 1.351 1.00 0.00 N ATOM 1085 CA LEU A 73 -12.023 -8.297 0.050 1.00 0.00 C ATOM 1086 C LEU A 73 -10.671 -7.626 -0.069 1.00 0.00 C ATOM 1087 O LEU A 73 -9.711 -8.305 -0.387 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.923 -8.030 -1.143 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.689 -9.249 -1.720 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -12.739 -10.345 -2.175 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -14.689 -9.789 -0.730 1.00 0.00 C ATOM 0 H LEU A 73 -13.299 -7.368 1.458 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.820 -9.367 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.653 -7.273 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.315 -7.601 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.235 -8.897 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.313 -11.182 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.079 -9.956 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.143 -10.684 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.208 -10.642 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.171 -10.104 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.412 -9.012 -0.483 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.572 -6.313 0.223 1.00 0.00 N ATOM 1104 CA TRP A 74 -9.295 -5.609 0.140 1.00 0.00 C ATOM 1105 C TRP A 74 -8.243 -6.349 0.983 1.00 0.00 C ATOM 1106 O TRP A 74 -7.155 -6.632 0.566 1.00 0.00 O ATOM 1107 CB TRP A 74 -9.408 -4.162 0.711 1.00 0.00 C ATOM 1108 CG TRP A 74 -10.086 -3.019 -0.085 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -11.027 -3.050 -1.081 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.779 -1.639 0.100 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -11.380 -1.748 -1.452 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.620 -0.871 -0.723 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.881 -1.010 0.909 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.582 0.529 -0.738 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.818 0.388 0.907 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.682 1.148 0.089 1.00 0.00 C ATOM 0 H TRP A 74 -11.358 -5.732 0.515 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.011 -5.571 -0.912 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.935 -4.239 1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -8.394 -3.832 0.934 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.437 -3.949 -1.516 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -12.083 -1.495 -2.146 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.224 -1.585 1.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.238 1.100 -1.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.100 0.891 1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.633 2.227 0.115 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.619 -6.673 2.148 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.699 -7.190 3.117 1.00 0.00 C ATOM 1129 C LYS A 75 -7.457 -8.664 3.121 1.00 0.00 C ATOM 1130 O LYS A 75 -6.306 -9.062 3.227 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.876 -6.571 4.468 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.749 -5.066 4.376 1.00 0.00 C ATOM 1133 CD LYS A 75 -6.321 -4.611 4.017 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.426 -4.717 5.262 1.00 0.00 C ATOM 1135 NZ LYS A 75 -4.066 -4.144 5.108 1.00 0.00 N ATOM 0 H LYS A 75 -9.580 -6.594 2.479 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.733 -6.847 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.853 -6.836 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.128 -6.965 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.445 -4.692 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.039 -4.622 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.921 -5.230 3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.335 -3.584 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.923 -4.215 6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.332 -5.768 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.704 -3.855 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.433 -4.859 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.107 -3.316 4.480 1.00 0.00 H new ATOM 1149 N SER A 76 -8.483 -9.497 2.999 1.00 0.00 N ATOM 1150 CA SER A 76 -8.209 -10.926 2.990 1.00 0.00 C ATOM 1151 C SER A 76 -7.407 -11.275 1.746 1.00 0.00 C ATOM 1152 O SER A 76 -6.564 -12.184 1.766 1.00 0.00 O ATOM 1153 CB SER A 76 -9.472 -11.742 3.059 1.00 0.00 C ATOM 1154 OG SER A 76 -10.282 -11.298 4.130 1.00 0.00 O ATOM 0 H SER A 76 -9.463 -9.227 2.909 1.00 0.00 H new ATOM 0 HA SER A 76 -7.628 -11.170 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.020 -11.658 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.226 -12.796 3.192 1.00 0.00 H new ATOM 0 HG SER A 76 -11.101 -11.834 4.165 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.632 -10.504 0.674 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.862 -10.661 -0.520 1.00 0.00 C ATOM 1162 C GLU A 77 -5.484 -10.101 -0.317 1.00 0.00 C ATOM 1163 O GLU A 77 -4.553 -10.574 -0.929 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.515 -10.015 -1.736 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.818 -10.659 -2.169 1.00 0.00 C ATOM 1166 CD GLU A 77 -8.655 -12.102 -2.545 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -8.213 -12.392 -3.690 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -8.989 -12.978 -1.730 1.00 0.00 O ATOM 0 H GLU A 77 -8.343 -9.774 0.630 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.804 -11.730 -0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.700 -8.963 -1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.814 -10.049 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.544 -10.579 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.225 -10.110 -3.019 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.337 -9.084 0.561 1.00 0.00 N ATOM 1176 CA PHE A 78 -4.017 -8.551 0.846 1.00 0.00 C ATOM 1177 C PHE A 78 -3.146 -9.648 1.393 1.00 0.00 C ATOM 1178 O PHE A 78 -2.035 -9.870 0.910 1.00 0.00 O ATOM 1179 CB PHE A 78 -4.074 -7.356 1.826 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.725 -6.854 2.196 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.999 -6.089 1.310 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -2.168 -7.172 3.424 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.746 -5.652 1.635 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.917 -6.733 3.758 1.00 0.00 C ATOM 1185 CZ PHE A 78 -0.201 -5.973 2.866 1.00 0.00 C ATOM 0 H PHE A 78 -6.103 -8.636 1.065 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.591 -8.175 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.647 -6.547 1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.606 -7.657 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.424 -5.833 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.728 -7.773 4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.182 -5.057 0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.494 -6.983 4.720 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.788 -5.626 3.125 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.685 -10.350 2.358 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.004 -11.447 3.000 1.00 0.00 C ATOM 1197 C PHE A 79 -2.608 -12.516 1.992 1.00 0.00 C ATOM 1198 O PHE A 79 -1.447 -12.920 1.926 1.00 0.00 O ATOM 1199 CB PHE A 79 -3.872 -12.028 4.107 1.00 0.00 C ATOM 1200 CG PHE A 79 -3.994 -11.123 5.313 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -2.936 -10.980 6.191 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -5.150 -10.404 5.557 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.033 -10.143 7.287 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -5.251 -9.562 6.651 1.00 0.00 C ATOM 1205 CZ PHE A 79 -4.195 -9.434 7.514 1.00 0.00 C ATOM 0 H PHE A 79 -4.620 -10.174 2.725 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.085 -11.067 3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.867 -12.229 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.455 -12.985 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.022 -11.529 6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.988 -10.501 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.199 -10.044 7.966 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.161 -9.007 6.824 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.272 -8.780 8.370 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.556 -12.913 1.174 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.322 -13.912 0.159 1.00 0.00 C ATOM 1217 C GLU A 80 -2.247 -13.469 -0.831 1.00 0.00 C ATOM 1218 O GLU A 80 -1.218 -14.110 -0.951 1.00 0.00 O ATOM 1219 CB GLU A 80 -4.618 -14.238 -0.582 1.00 0.00 C ATOM 1220 CG GLU A 80 -5.694 -14.818 0.310 1.00 0.00 C ATOM 1221 CD GLU A 80 -5.269 -16.100 0.959 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -5.370 -17.159 0.310 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -4.823 -16.075 2.126 1.00 0.00 O ATOM 0 H GLU A 80 -4.510 -12.552 1.194 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.964 -14.811 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.997 -13.330 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.401 -14.945 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.953 -14.092 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.595 -14.993 -0.279 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.469 -12.325 -1.465 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.589 -11.802 -2.531 1.00 0.00 C ATOM 1232 C ASN A 81 -0.158 -11.640 -2.076 1.00 0.00 C ATOM 1233 O ASN A 81 0.772 -12.027 -2.803 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.090 -10.451 -3.091 1.00 0.00 C ATOM 1235 CG ASN A 81 -3.424 -10.528 -3.802 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -3.800 -11.569 -4.359 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -4.148 -9.428 -3.809 1.00 0.00 N ATOM 0 H ASN A 81 -3.266 -11.722 -1.261 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.622 -12.552 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.169 -9.738 -2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.345 -10.059 -3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.051 -9.415 -4.284 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.806 -8.589 -3.340 1.00 0.00 H new ATOM 1244 N CYS A 82 0.035 -11.093 -0.880 1.00 0.00 N ATOM 1245 CA CYS A 82 1.381 -10.847 -0.391 1.00 0.00 C ATOM 1246 C CYS A 82 2.110 -12.141 -0.105 1.00 0.00 C ATOM 1247 O CYS A 82 3.225 -12.327 -0.531 1.00 0.00 O ATOM 1248 CB CYS A 82 1.396 -9.897 0.831 1.00 0.00 C ATOM 1249 SG CYS A 82 0.452 -10.446 2.264 1.00 0.00 S ATOM 0 H CYS A 82 -0.712 -10.817 -0.243 1.00 0.00 H new ATOM 0 HA CYS A 82 1.921 -10.336 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.431 -9.747 1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.012 -8.926 0.517 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.806 -10.170 2.087 1.00 0.00 H new ATOM 1255 N ARG A 83 1.455 -13.069 0.534 1.00 0.00 N ATOM 1256 CA ARG A 83 2.135 -14.290 0.915 1.00 0.00 C ATOM 1257 C ARG A 83 2.297 -15.230 -0.280 1.00 0.00 C ATOM 1258 O ARG A 83 3.299 -15.906 -0.403 1.00 0.00 O ATOM 1259 CB ARG A 83 1.414 -14.950 2.080 1.00 0.00 C ATOM 1260 CG ARG A 83 1.201 -13.987 3.253 1.00 0.00 C ATOM 1261 CD ARG A 83 2.518 -13.504 3.861 1.00 0.00 C ATOM 1262 NE ARG A 83 2.337 -12.377 4.794 1.00 0.00 N ATOM 1263 CZ ARG A 83 1.973 -12.461 6.103 1.00 0.00 C ATOM 1264 NH1 ARG A 83 1.750 -13.633 6.664 1.00 0.00 N ATOM 1265 NH2 ARG A 83 1.831 -11.350 6.828 1.00 0.00 N ATOM 0 H ARG A 83 0.472 -13.014 0.801 1.00 0.00 H new ATOM 0 HA ARG A 83 3.142 -14.042 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.448 -15.325 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.989 -15.811 2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.625 -13.127 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.609 -14.482 4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.996 -14.331 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.193 -13.202 3.060 1.00 0.00 H new ATOM 0 HE ARG A 83 2.501 -11.442 4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.850 -14.488 6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.478 -13.685 7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.995 -10.438 6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.558 -11.412 7.809 1.00 0.00 H new ATOM 1279 N ASP A 84 1.340 -15.199 -1.185 1.00 0.00 N ATOM 1280 CA ASP A 84 1.324 -16.043 -2.404 1.00 0.00 C ATOM 1281 C ASP A 84 2.522 -15.735 -3.284 1.00 0.00 C ATOM 1282 O ASP A 84 3.332 -16.622 -3.666 1.00 0.00 O ATOM 1283 CB ASP A 84 0.074 -15.718 -3.197 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.187 -16.672 -4.326 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -0.411 -17.887 -4.068 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.202 -16.233 -5.499 1.00 0.00 O ATOM 0 H ASP A 84 0.530 -14.583 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 84 1.350 -17.091 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.784 -15.721 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.161 -14.708 -3.598 1.00 0.00 H new ATOM 1291 N THR A 85 2.647 -14.481 -3.575 1.00 0.00 N ATOM 1292 CA THR A 85 3.693 -13.960 -4.393 1.00 0.00 C ATOM 1293 C THR A 85 5.039 -14.129 -3.663 1.00 0.00 C ATOM 1294 O THR A 85 6.060 -14.419 -4.276 1.00 0.00 O ATOM 1295 CB THR A 85 3.363 -12.483 -4.651 1.00 0.00 C ATOM 1296 OG1 THR A 85 2.065 -12.391 -5.295 1.00 0.00 O ATOM 1297 CG2 THR A 85 4.436 -11.740 -5.452 1.00 0.00 C ATOM 0 H THR A 85 2.001 -13.767 -3.238 1.00 0.00 H new ATOM 0 HA THR A 85 3.774 -14.487 -5.344 1.00 0.00 H new ATOM 0 HB THR A 85 3.337 -11.982 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.372 -12.255 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.131 -10.703 -5.594 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.381 -11.770 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.560 -12.218 -6.424 1.00 0.00 H new ATOM 1305 N ALA A 86 4.973 -14.082 -2.356 1.00 0.00 N ATOM 1306 CA ALA A 86 6.164 -14.242 -1.553 1.00 0.00 C ATOM 1307 C ALA A 86 6.697 -15.652 -1.673 1.00 0.00 C ATOM 1308 O ALA A 86 7.914 -15.865 -1.706 1.00 0.00 O ATOM 1309 CB ALA A 86 5.914 -13.906 -0.121 1.00 0.00 C ATOM 0 H ALA A 86 4.114 -13.935 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 86 6.911 -13.545 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.833 -14.039 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.585 -12.870 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.141 -14.564 0.277 1.00 0.00 H new ATOM 1315 N LYS A 87 5.785 -16.614 -1.773 1.00 0.00 N ATOM 1316 CA LYS A 87 6.151 -18.004 -1.978 1.00 0.00 C ATOM 1317 C LYS A 87 6.845 -18.140 -3.326 1.00 0.00 C ATOM 1318 O LYS A 87 7.753 -18.948 -3.495 1.00 0.00 O ATOM 1319 CB LYS A 87 4.918 -18.902 -1.942 1.00 0.00 C ATOM 1320 CG LYS A 87 4.099 -18.794 -0.653 1.00 0.00 C ATOM 1321 CD LYS A 87 2.824 -19.616 -0.709 1.00 0.00 C ATOM 1322 CE LYS A 87 3.094 -21.112 -0.737 1.00 0.00 C ATOM 1323 NZ LYS A 87 1.856 -21.884 -0.971 1.00 0.00 N ATOM 0 H LYS A 87 4.780 -16.450 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 87 6.822 -18.314 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.277 -18.654 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.233 -19.937 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.706 -19.126 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.847 -17.749 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.205 -19.378 0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.255 -19.337 -1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.817 -21.337 -1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.542 -21.419 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.078 -22.900 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.175 -21.688 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.442 -21.608 -1.885 1.00 0.00 H new ATOM 1337 N ARG A 88 6.431 -17.308 -4.283 1.00 0.00 N ATOM 1338 CA ARG A 88 7.089 -17.284 -5.589 1.00 0.00 C ATOM 1339 C ARG A 88 8.502 -16.732 -5.480 1.00 0.00 C ATOM 1340 O ARG A 88 9.422 -17.246 -6.118 1.00 0.00 O ATOM 1341 CB ARG A 88 6.276 -16.549 -6.672 1.00 0.00 C ATOM 1342 CG ARG A 88 5.264 -17.422 -7.413 1.00 0.00 C ATOM 1343 CD ARG A 88 4.270 -18.072 -6.476 1.00 0.00 C ATOM 1344 NE ARG A 88 3.272 -18.849 -7.183 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.053 -19.071 -6.715 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.729 -18.651 -5.509 1.00 0.00 N ATOM 1347 NH2 ARG A 88 1.171 -19.716 -7.448 1.00 0.00 N ATOM 0 H ARG A 88 5.656 -16.652 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 88 7.150 -18.321 -5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.747 -15.717 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.967 -16.121 -7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.728 -16.814 -8.142 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.794 -18.195 -7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.802 -18.718 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.775 -17.302 -5.884 1.00 0.00 H new ATOM 0 HE ARG A 88 3.521 -19.246 -8.089 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.416 -18.157 -4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.791 -18.820 -5.145 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.425 -20.046 -8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.233 -19.886 -7.085 1.00 0.00 H new ATOM 1361 N ASN A 89 8.688 -15.735 -4.615 1.00 0.00 N ATOM 1362 CA ASN A 89 10.009 -15.159 -4.387 1.00 0.00 C ATOM 1363 C ASN A 89 10.902 -16.188 -3.716 1.00 0.00 C ATOM 1364 O ASN A 89 12.096 -16.252 -4.004 1.00 0.00 O ATOM 1365 CB ASN A 89 9.960 -13.876 -3.516 1.00 0.00 C ATOM 1366 CG ASN A 89 9.235 -12.700 -4.148 1.00 0.00 C ATOM 1367 OD1 ASN A 89 9.948 -11.850 -4.850 1.00 0.00 O flip ATOM 1368 ND2 ASN A 89 8.051 -12.540 -3.974 1.00 0.00 N flip ATOM 0 H ASN A 89 7.942 -15.312 -4.063 1.00 0.00 H new ATOM 0 HA ASN A 89 10.410 -14.877 -5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.476 -14.116 -2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.981 -13.573 -3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.520 -13.216 -3.424 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.581 -11.729 -4.377 1.00 0.00 H new ATOM 1375 N GLN A 90 10.312 -17.030 -2.856 1.00 0.00 N ATOM 1376 CA GLN A 90 11.086 -18.050 -2.150 1.00 0.00 C ATOM 1377 C GLN A 90 11.484 -19.194 -3.087 1.00 0.00 C ATOM 1378 O GLN A 90 12.655 -19.578 -3.127 1.00 0.00 O ATOM 1379 CB GLN A 90 10.346 -18.606 -0.909 1.00 0.00 C ATOM 1380 CG GLN A 90 9.826 -17.556 0.073 1.00 0.00 C ATOM 1381 CD GLN A 90 10.833 -16.472 0.369 1.00 0.00 C ATOM 1382 OE1 GLN A 90 10.721 -15.388 -0.348 1.00 0.00 O flip ATOM 1383 NE2 GLN A 90 11.651 -16.587 1.270 1.00 0.00 N flip ATOM 0 H GLN A 90 9.316 -17.023 -2.637 1.00 0.00 H new ATOM 0 HA GLN A 90 11.990 -17.556 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.504 -19.208 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.021 -19.275 -0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.922 -17.103 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.545 -18.047 1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.702 -17.454 1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.282 -15.816 1.487 1.00 0.00 H new ATOM 1392 N GLN A 91 10.531 -19.733 -3.856 1.00 0.00 N ATOM 1393 CA GLN A 91 10.836 -20.853 -4.763 1.00 0.00 C ATOM 1394 C GLN A 91 11.818 -20.446 -5.858 1.00 0.00 C ATOM 1395 O GLN A 91 12.694 -21.239 -6.237 1.00 0.00 O ATOM 1396 CB GLN A 91 9.573 -21.502 -5.366 1.00 0.00 C ATOM 1397 CG GLN A 91 8.667 -20.547 -6.114 1.00 0.00 C ATOM 1398 CD GLN A 91 7.436 -21.217 -6.679 1.00 0.00 C ATOM 1399 OE1 GLN A 91 7.426 -21.684 -7.815 1.00 0.00 O ATOM 1400 NE2 GLN A 91 6.400 -21.290 -5.890 1.00 0.00 N ATOM 0 H GLN A 91 9.560 -19.422 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 91 11.315 -21.613 -4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.879 -22.298 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.002 -21.969 -4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.361 -19.745 -5.442 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.228 -20.085 -6.927 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.444 -20.891 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.546 -21.746 -6.211 1.00 0.00 H new ATOM 1409 N ALA A 92 11.699 -19.210 -6.351 1.00 0.00 N ATOM 1410 CA ALA A 92 12.613 -18.720 -7.364 1.00 0.00 C ATOM 1411 C ALA A 92 13.939 -18.362 -6.734 1.00 0.00 C ATOM 1412 O ALA A 92 14.972 -18.391 -7.379 1.00 0.00 O ATOM 1413 CB ALA A 92 12.029 -17.532 -8.107 1.00 0.00 C ATOM 0 H ALA A 92 10.983 -18.543 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 92 12.773 -19.514 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.739 -17.189 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.100 -17.828 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.828 -16.725 -7.402 1.00 0.00 H new ATOM 1419 N GLY A 93 13.894 -18.045 -5.459 1.00 0.00 N ATOM 1420 CA GLY A 93 15.089 -17.730 -4.727 1.00 0.00 C ATOM 1421 C GLY A 93 15.567 -16.329 -4.984 1.00 0.00 C ATOM 1422 O GLY A 93 16.727 -16.108 -5.337 1.00 0.00 O ATOM 0 H GLY A 93 13.035 -18.000 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.902 -17.857 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.875 -18.435 -4.999 1.00 0.00 H new ATOM 1426 N ASN A 94 14.670 -15.390 -4.838 1.00 0.00 N ATOM 1427 CA ASN A 94 15.005 -13.991 -5.002 1.00 0.00 C ATOM 1428 C ASN A 94 15.234 -13.365 -3.672 1.00 0.00 C ATOM 1429 O ASN A 94 14.766 -13.879 -2.654 1.00 0.00 O ATOM 1430 CB ASN A 94 13.927 -13.196 -5.756 1.00 0.00 C ATOM 1431 CG ASN A 94 13.960 -13.398 -7.260 1.00 0.00 C ATOM 1432 OD1 ASN A 94 14.638 -12.667 -7.975 1.00 0.00 O ATOM 1433 ND2 ASN A 94 13.209 -14.339 -7.756 1.00 0.00 N ATOM 0 H ASN A 94 13.693 -15.566 -4.604 1.00 0.00 H new ATOM 0 HA ASN A 94 15.913 -13.958 -5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.945 -13.486 -5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.051 -12.135 -5.538 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.173 -14.484 -8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.657 -14.931 -7.136 1.00 0.00 H new ATOM 1440 N GLY A 95 15.904 -12.235 -3.682 1.00 0.00 N ATOM 1441 CA GLY A 95 16.201 -11.506 -2.468 1.00 0.00 C ATOM 1442 C GLY A 95 15.013 -10.717 -1.950 1.00 0.00 C ATOM 1443 O GLY A 95 15.144 -9.554 -1.579 1.00 0.00 O ATOM 0 H GLY A 95 16.259 -11.795 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.529 -12.207 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.031 -10.824 -2.653 1.00 0.00 H new ATOM 1447 N TRP A 96 13.867 -11.361 -1.931 1.00 0.00 N ATOM 1448 CA TRP A 96 12.627 -10.809 -1.458 1.00 0.00 C ATOM 1449 C TRP A 96 12.004 -11.810 -0.595 1.00 0.00 C ATOM 1450 O TRP A 96 12.214 -13.016 -0.788 1.00 0.00 O ATOM 1451 CB TRP A 96 11.709 -10.381 -2.588 1.00 0.00 C ATOM 1452 CG TRP A 96 12.288 -9.238 -3.297 1.00 0.00 C ATOM 1453 CD1 TRP A 96 12.602 -8.063 -2.729 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.660 -9.144 -4.673 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.145 -7.237 -3.637 1.00 0.00 N ATOM 1456 CE2 TRP A 96 13.192 -7.868 -4.853 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.595 -10.008 -5.770 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 13.660 -7.427 -6.076 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.063 -9.565 -6.990 1.00 0.00 C ATOM 1460 CH2 TRP A 96 13.590 -8.278 -7.132 1.00 0.00 C ATOM 0 H TRP A 96 13.775 -12.322 -2.259 1.00 0.00 H new ATOM 0 HA TRP A 96 12.823 -9.895 -0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.558 -11.210 -3.279 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.729 -10.115 -2.191 1.00 0.00 H new ATOM 0 HD1 TRP A 96 12.441 -7.817 -1.690 1.00 0.00 H new ATOM 0 HE1 TRP A 96 13.471 -6.289 -3.451 1.00 0.00 H new ATOM 0 HE3 TRP A 96 12.187 -11.002 -5.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.070 -6.434 -6.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 13.022 -10.221 -7.847 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.948 -7.955 -8.098 1.00 0.00 H new ATOM 1471 N ASP A 97 11.212 -11.380 0.311 1.00 0.00 N ATOM 1472 CA ASP A 97 10.837 -12.284 1.348 1.00 0.00 C ATOM 1473 C ASP A 97 9.384 -12.133 1.737 1.00 0.00 C ATOM 1474 O ASP A 97 8.800 -11.060 1.590 1.00 0.00 O ATOM 1475 CB ASP A 97 11.784 -12.065 2.557 1.00 0.00 C ATOM 1476 CG ASP A 97 11.627 -13.079 3.657 1.00 0.00 C ATOM 1477 OD1 ASP A 97 10.730 -12.932 4.463 1.00 0.00 O ATOM 1478 OD2 ASP A 97 12.401 -14.052 3.706 1.00 0.00 O ATOM 0 H ASP A 97 10.817 -10.441 0.365 1.00 0.00 H new ATOM 0 HA ASP A 97 10.940 -13.307 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.815 -12.085 2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.607 -11.071 2.967 1.00 0.00 H new ATOM 1483 N PHE A 98 8.839 -13.230 2.216 1.00 0.00 N ATOM 1484 CA PHE A 98 7.493 -13.384 2.744 1.00 0.00 C ATOM 1485 C PHE A 98 7.211 -12.427 3.927 1.00 0.00 C ATOM 1486 O PHE A 98 6.060 -12.138 4.246 1.00 0.00 O ATOM 1487 CB PHE A 98 7.313 -14.914 3.056 1.00 0.00 C ATOM 1488 CG PHE A 98 6.332 -15.336 4.110 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.648 -15.253 5.461 1.00 0.00 C ATOM 1490 CD2 PHE A 98 5.107 -15.845 3.751 1.00 0.00 C ATOM 1491 CE1 PHE A 98 5.752 -15.661 6.423 1.00 0.00 C ATOM 1492 CE2 PHE A 98 4.204 -16.258 4.712 1.00 0.00 C ATOM 1493 CZ PHE A 98 4.526 -16.163 6.050 1.00 0.00 C ATOM 0 H PHE A 98 9.361 -14.105 2.251 1.00 0.00 H new ATOM 0 HA PHE A 98 6.735 -13.084 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.028 -15.407 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.289 -15.308 3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.610 -14.863 5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.847 -15.923 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.011 -15.587 7.469 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.245 -16.656 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.819 -16.481 6.802 1.00 0.00 H new ATOM 1503 N ASP A 99 8.259 -11.964 4.551 1.00 0.00 N ATOM 1504 CA ASP A 99 8.185 -10.945 5.599 1.00 0.00 C ATOM 1505 C ASP A 99 8.076 -9.554 4.987 1.00 0.00 C ATOM 1506 O ASP A 99 7.258 -8.720 5.417 1.00 0.00 O ATOM 1507 CB ASP A 99 9.440 -11.005 6.475 1.00 0.00 C ATOM 1508 CG ASP A 99 9.512 -9.887 7.455 1.00 0.00 C ATOM 1509 OD1 ASP A 99 8.719 -9.838 8.373 1.00 0.00 O ATOM 1510 OD2 ASP A 99 10.375 -9.054 7.335 1.00 0.00 O ATOM 0 H ASP A 99 9.209 -12.279 4.354 1.00 0.00 H new ATOM 0 HA ASP A 99 7.300 -11.142 6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.459 -11.954 7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.324 -10.981 5.838 1.00 0.00 H new ATOM 1515 N MET A 100 8.882 -9.321 3.969 1.00 0.00 N ATOM 1516 CA MET A 100 8.985 -8.015 3.323 1.00 0.00 C ATOM 1517 C MET A 100 7.731 -7.729 2.528 1.00 0.00 C ATOM 1518 O MET A 100 7.137 -6.646 2.635 1.00 0.00 O ATOM 1519 CB MET A 100 10.246 -7.941 2.421 1.00 0.00 C ATOM 1520 CG MET A 100 11.542 -8.213 3.174 1.00 0.00 C ATOM 1521 SD MET A 100 12.981 -8.344 2.097 1.00 0.00 S ATOM 1522 CE MET A 100 14.264 -8.666 3.318 1.00 0.00 C ATOM 0 H MET A 100 9.489 -10.032 3.561 1.00 0.00 H new ATOM 0 HA MET A 100 9.087 -7.252 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.147 -8.662 1.610 1.00 0.00 H new ATOM 0 HB3 MET A 100 10.300 -6.953 1.964 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.709 -7.413 3.896 1.00 0.00 H new ATOM 0 HG3 MET A 100 11.437 -9.138 3.742 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.225 -8.774 2.816 1.00 0.00 H new ATOM 0 HE2 MET A 100 14.313 -7.835 4.022 1.00 0.00 H new ATOM 0 HE3 MET A 100 14.031 -9.584 3.857 1.00 0.00 H new ATOM 1532 N LEU A 101 7.293 -8.708 1.774 1.00 0.00 N ATOM 1533 CA LEU A 101 6.108 -8.558 0.993 1.00 0.00 C ATOM 1534 C LEU A 101 4.904 -8.898 1.833 1.00 0.00 C ATOM 1535 O LEU A 101 4.445 -10.047 1.852 1.00 0.00 O ATOM 1536 CB LEU A 101 6.163 -9.453 -0.241 1.00 0.00 C ATOM 1537 CG LEU A 101 4.925 -9.469 -1.136 1.00 0.00 C ATOM 1538 CD1 LEU A 101 4.665 -8.136 -1.782 1.00 0.00 C ATOM 1539 CD2 LEU A 101 5.057 -10.537 -2.159 1.00 0.00 C ATOM 0 H LEU A 101 7.748 -9.617 1.690 1.00 0.00 H new ATOM 0 HA LEU A 101 6.032 -7.523 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.016 -9.145 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.358 -10.474 0.088 1.00 0.00 H new ATOM 0 HG LEU A 101 4.063 -9.680 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.775 -8.202 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.512 -7.382 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.520 -7.857 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.171 -10.544 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.940 -10.349 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.157 -11.504 -1.665 1.00 0.00 H new ATOM 1551 N THR A 102 4.460 -7.898 2.581 1.00 0.00 N ATOM 1552 CA THR A 102 3.283 -7.929 3.409 1.00 0.00 C ATOM 1553 C THR A 102 3.380 -6.791 4.411 1.00 0.00 C ATOM 1554 O THR A 102 2.482 -5.959 4.510 1.00 0.00 O ATOM 1555 CB THR A 102 3.055 -9.307 4.147 1.00 0.00 C ATOM 1556 OG1 THR A 102 1.823 -9.321 4.873 1.00 0.00 O ATOM 1557 CG2 THR A 102 4.194 -9.704 5.078 1.00 0.00 C ATOM 0 H THR A 102 4.943 -7.000 2.622 1.00 0.00 H new ATOM 0 HA THR A 102 2.415 -7.809 2.760 1.00 0.00 H new ATOM 0 HB THR A 102 3.018 -10.046 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.106 -9.653 4.294 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.964 -10.660 5.547 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.117 -9.794 4.506 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.317 -8.942 5.848 1.00 0.00 H new ATOM 1565 N GLY A 103 4.503 -6.710 5.089 1.00 0.00 N ATOM 1566 CA GLY A 103 4.650 -5.718 6.064 1.00 0.00 C ATOM 1567 C GLY A 103 5.044 -6.258 7.395 1.00 0.00 C ATOM 1568 O GLY A 103 4.428 -5.930 8.406 1.00 0.00 O ATOM 0 H GLY A 103 5.307 -7.326 4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.401 -5.001 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.711 -5.173 6.163 1.00 0.00 H new ATOM 1572 N SER A 104 6.075 -7.094 7.413 1.00 0.00 N ATOM 1573 CA SER A 104 6.722 -7.603 8.617 1.00 0.00 C ATOM 1574 C SER A 104 5.913 -8.510 9.515 1.00 0.00 C ATOM 1575 O SER A 104 5.102 -8.073 10.346 1.00 0.00 O ATOM 1576 CB SER A 104 7.499 -6.545 9.413 1.00 0.00 C ATOM 1577 OG SER A 104 6.749 -5.358 9.650 1.00 0.00 O ATOM 0 H SER A 104 6.500 -7.450 6.557 1.00 0.00 H new ATOM 0 HA SER A 104 7.452 -8.280 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 104 7.805 -6.971 10.369 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.410 -6.289 8.872 1.00 0.00 H new ATOM 0 HG SER A 104 5.792 -5.553 9.564 1.00 0.00 H new ATOM 1583 N GLY A 105 6.111 -9.755 9.298 1.00 0.00 N ATOM 1584 CA GLY A 105 5.630 -10.743 10.195 1.00 0.00 C ATOM 1585 C GLY A 105 6.778 -11.177 11.081 1.00 0.00 C ATOM 1586 O GLY A 105 6.594 -11.619 12.215 1.00 0.00 O ATOM 0 H GLY A 105 6.613 -10.123 8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 105 4.814 -10.344 10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.232 -11.595 9.644 1.00 0.00 H new ATOM 1590 N ASN A 106 7.975 -11.014 10.550 1.00 0.00 N ATOM 1591 CA ASN A 106 9.196 -11.408 11.205 1.00 0.00 C ATOM 1592 C ASN A 106 10.105 -10.222 11.573 1.00 0.00 C ATOM 1593 O ASN A 106 10.553 -10.151 12.717 1.00 0.00 O ATOM 1594 CB ASN A 106 9.973 -12.411 10.321 1.00 0.00 C ATOM 1595 CG ASN A 106 9.335 -13.785 10.256 1.00 0.00 C ATOM 1596 OD1 ASN A 106 8.745 -14.250 11.225 1.00 0.00 O ATOM 1597 ND2 ASN A 106 9.435 -14.440 9.126 1.00 0.00 N ATOM 0 H ASN A 106 8.123 -10.595 9.632 1.00 0.00 H new ATOM 0 HA ASN A 106 8.903 -11.879 12.143 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.051 -12.008 9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.989 -12.509 10.704 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.015 -15.365 9.034 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.933 -14.025 8.338 1.00 0.00 H new ATOM 1604 N TYR A 107 10.353 -9.250 10.640 1.00 0.00 N ATOM 1605 CA TYR A 107 11.350 -8.164 10.953 1.00 0.00 C ATOM 1606 C TYR A 107 11.353 -6.872 10.071 1.00 0.00 C ATOM 1607 O TYR A 107 11.598 -5.800 10.615 1.00 0.00 O ATOM 1608 CB TYR A 107 12.802 -8.737 11.045 1.00 0.00 C ATOM 1609 CG TYR A 107 13.180 -9.684 9.908 1.00 0.00 C ATOM 1610 CD1 TYR A 107 13.451 -9.224 8.621 1.00 0.00 C ATOM 1611 CD2 TYR A 107 13.233 -11.043 10.134 1.00 0.00 C ATOM 1612 CE1 TYR A 107 13.749 -10.112 7.595 1.00 0.00 C ATOM 1613 CE2 TYR A 107 13.538 -11.925 9.131 1.00 0.00 C ATOM 1614 CZ TYR A 107 13.791 -11.464 7.864 1.00 0.00 C ATOM 1615 OH TYR A 107 14.071 -12.366 6.861 1.00 0.00 O ATOM 0 H TYR A 107 9.911 -9.190 9.722 1.00 0.00 H new ATOM 0 HA TYR A 107 10.986 -7.811 11.918 1.00 0.00 H new ATOM 0 HB2 TYR A 107 13.507 -7.906 11.059 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.912 -9.264 11.993 1.00 0.00 H new ATOM 0 HD1 TYR A 107 13.429 -8.163 8.418 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.029 -11.421 11.125 1.00 0.00 H new ATOM 0 HE1 TYR A 107 13.946 -9.748 6.598 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.579 -12.984 9.338 1.00 0.00 H new ATOM 0 HH TYR A 107 14.061 -13.275 7.227 1.00 0.00 H new ATOM 1625 N SER A 108 11.114 -6.976 8.758 1.00 0.00 N ATOM 1626 CA SER A 108 11.293 -5.852 7.789 1.00 0.00 C ATOM 1627 C SER A 108 10.756 -4.475 8.237 1.00 0.00 C ATOM 1628 O SER A 108 11.548 -3.593 8.634 1.00 0.00 O ATOM 1629 CB SER A 108 10.748 -6.242 6.407 1.00 0.00 C ATOM 1630 OG SER A 108 9.408 -6.710 6.514 1.00 0.00 O ATOM 0 H SER A 108 10.789 -7.839 8.322 1.00 0.00 H new ATOM 0 HA SER A 108 12.371 -5.702 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.787 -5.382 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.376 -7.017 5.967 1.00 0.00 H new ATOM 0 HG SER A 108 9.404 -7.598 6.929 1.00 0.00 H new ATOM 1636 N SER A 109 9.441 -4.287 8.135 1.00 0.00 N ATOM 1637 CA SER A 109 8.777 -3.055 8.538 1.00 0.00 C ATOM 1638 C SER A 109 9.210 -1.875 7.634 1.00 0.00 C ATOM 1639 O SER A 109 9.639 -2.081 6.481 1.00 0.00 O ATOM 1640 CB SER A 109 9.085 -2.769 10.026 1.00 0.00 C ATOM 1641 OG SER A 109 8.727 -3.884 10.838 1.00 0.00 O ATOM 0 H SER A 109 8.804 -4.993 7.767 1.00 0.00 H new ATOM 0 HA SER A 109 7.700 -3.172 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.146 -2.550 10.147 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.538 -1.885 10.352 1.00 0.00 H new ATOM 0 HG SER A 109 7.945 -4.332 10.453 1.00 0.00 H new ATOM 1647 N THR A 110 9.082 -0.664 8.166 1.00 0.00 N ATOM 1648 CA THR A 110 9.390 0.598 7.517 1.00 0.00 C ATOM 1649 C THR A 110 10.759 0.599 6.808 1.00 0.00 C ATOM 1650 O THR A 110 10.923 1.193 5.729 1.00 0.00 O ATOM 1651 CB THR A 110 9.405 1.652 8.622 1.00 0.00 C ATOM 1652 OG1 THR A 110 8.225 1.466 9.417 1.00 0.00 O ATOM 1653 CG2 THR A 110 9.435 3.063 8.059 1.00 0.00 C ATOM 0 H THR A 110 8.740 -0.534 9.118 1.00 0.00 H new ATOM 0 HA THR A 110 8.645 0.792 6.745 1.00 0.00 H new ATOM 0 HB THR A 110 10.307 1.531 9.222 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.464 1.028 10.260 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.445 3.782 8.879 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.330 3.193 7.451 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.551 3.228 7.443 1.00 0.00 H new ATOM 1661 N ASP A 111 11.708 -0.095 7.391 1.00 0.00 N ATOM 1662 CA ASP A 111 13.078 -0.107 6.909 1.00 0.00 C ATOM 1663 C ASP A 111 13.206 -0.757 5.542 1.00 0.00 C ATOM 1664 O ASP A 111 13.974 -0.303 4.705 1.00 0.00 O ATOM 1665 CB ASP A 111 14.001 -0.768 7.933 1.00 0.00 C ATOM 1666 CG ASP A 111 14.031 -0.010 9.236 1.00 0.00 C ATOM 1667 OD1 ASP A 111 14.739 1.013 9.337 1.00 0.00 O ATOM 1668 OD2 ASP A 111 13.313 -0.412 10.187 1.00 0.00 O ATOM 0 H ASP A 111 11.555 -0.672 8.218 1.00 0.00 H new ATOM 0 HA ASP A 111 13.389 0.930 6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 111 13.668 -1.790 8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.010 -0.829 7.526 1.00 0.00 H new ATOM 1673 N ALA A 112 12.410 -1.763 5.272 1.00 0.00 N ATOM 1674 CA ALA A 112 12.495 -2.432 3.978 1.00 0.00 C ATOM 1675 C ALA A 112 11.851 -1.579 2.882 1.00 0.00 C ATOM 1676 O ALA A 112 12.094 -1.782 1.705 1.00 0.00 O ATOM 1677 CB ALA A 112 11.886 -3.828 4.033 1.00 0.00 C ATOM 0 H ALA A 112 11.707 -2.137 5.909 1.00 0.00 H new ATOM 0 HA ALA A 112 13.550 -2.552 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.966 -4.299 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.420 -4.429 4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.836 -3.756 4.317 1.00 0.00 H new ATOM 1683 N GLN A 113 11.035 -0.638 3.303 1.00 0.00 N ATOM 1684 CA GLN A 113 10.345 0.286 2.412 1.00 0.00 C ATOM 1685 C GLN A 113 11.203 1.506 2.081 1.00 0.00 C ATOM 1686 O GLN A 113 11.258 1.931 0.948 1.00 0.00 O ATOM 1687 CB GLN A 113 9.022 0.708 3.040 1.00 0.00 C ATOM 1688 CG GLN A 113 8.197 1.782 2.288 1.00 0.00 C ATOM 1689 CD GLN A 113 8.464 3.240 2.735 1.00 0.00 C ATOM 1690 OE1 GLN A 113 9.442 3.892 2.159 1.00 0.00 O flip ATOM 1691 NE2 GLN A 113 7.808 3.754 3.625 1.00 0.00 N flip ATOM 0 H GLN A 113 10.825 -0.486 4.289 1.00 0.00 H new ATOM 0 HA GLN A 113 10.150 -0.229 1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.401 -0.181 3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.227 1.080 4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.407 1.700 1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.137 1.565 2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 113 7.049 3.234 4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.018 4.704 3.930 1.00 0.00 H new ATOM 1700 N MET A 114 11.821 2.130 3.072 1.00 0.00 N ATOM 1701 CA MET A 114 12.634 3.334 2.790 1.00 0.00 C ATOM 1702 C MET A 114 13.907 2.947 2.052 1.00 0.00 C ATOM 1703 O MET A 114 14.483 3.727 1.289 1.00 0.00 O ATOM 1704 CB MET A 114 12.911 4.124 4.082 1.00 0.00 C ATOM 1705 CG MET A 114 13.774 5.373 3.906 1.00 0.00 C ATOM 1706 SD MET A 114 13.816 6.379 5.408 1.00 0.00 S ATOM 1707 CE MET A 114 14.932 7.693 4.921 1.00 0.00 C ATOM 0 H MET A 114 11.787 1.846 4.051 1.00 0.00 H new ATOM 0 HA MET A 114 12.073 4.001 2.135 1.00 0.00 H new ATOM 0 HB2 MET A 114 11.958 4.419 4.521 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.399 3.462 4.797 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.789 5.079 3.637 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.386 5.969 3.080 1.00 0.00 H new ATOM 0 HE1 MET A 114 15.111 8.352 5.770 1.00 0.00 H new ATOM 0 HE2 MET A 114 15.878 7.263 4.590 1.00 0.00 H new ATOM 0 HE3 MET A 114 14.488 8.264 4.106 1.00 0.00 H new ATOM 1717 N GLN A 115 14.291 1.721 2.247 1.00 0.00 N ATOM 1718 CA GLN A 115 15.399 1.137 1.572 1.00 0.00 C ATOM 1719 C GLN A 115 14.848 0.074 0.626 1.00 0.00 C ATOM 1720 O GLN A 115 15.494 -0.957 0.392 1.00 0.00 O ATOM 1721 CB GLN A 115 16.395 0.509 2.585 1.00 0.00 C ATOM 1722 CG GLN A 115 17.240 1.517 3.405 1.00 0.00 C ATOM 1723 CD GLN A 115 16.451 2.414 4.362 1.00 0.00 C ATOM 1724 OE1 GLN A 115 16.824 3.555 4.614 1.00 0.00 O ATOM 1725 NE2 GLN A 115 15.404 1.900 4.929 1.00 0.00 N ATOM 0 H GLN A 115 13.827 1.087 2.898 1.00 0.00 H new ATOM 0 HA GLN A 115 15.947 1.896 1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 115 15.834 -0.116 3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.073 -0.148 2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 115 17.978 0.960 3.982 1.00 0.00 H new ATOM 0 HG3 GLN A 115 17.791 2.152 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.116 0.948 4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 115 14.869 2.447 5.603 1.00 0.00 H new ATOM 1734 N TYR A 116 13.633 0.353 0.076 1.00 0.00 N ATOM 1735 CA TYR A 116 12.931 -0.519 -0.809 1.00 0.00 C ATOM 1736 C TYR A 116 13.812 -0.935 -1.968 1.00 0.00 C ATOM 1737 O TYR A 116 14.675 -0.160 -2.420 1.00 0.00 O ATOM 1738 CB TYR A 116 11.688 0.203 -1.412 1.00 0.00 C ATOM 1739 CG TYR A 116 11.995 1.356 -2.387 1.00 0.00 C ATOM 1740 CD1 TYR A 116 12.318 2.633 -1.930 1.00 0.00 C ATOM 1741 CD2 TYR A 116 11.950 1.151 -3.765 1.00 0.00 C ATOM 1742 CE1 TYR A 116 12.587 3.659 -2.814 1.00 0.00 C ATOM 1743 CE2 TYR A 116 12.214 2.167 -4.649 1.00 0.00 C ATOM 1744 CZ TYR A 116 12.533 3.421 -4.176 1.00 0.00 C ATOM 1745 OH TYR A 116 12.792 4.445 -5.070 1.00 0.00 O ATOM 0 H TYR A 116 13.132 1.222 0.263 1.00 0.00 H new ATOM 0 HA TYR A 116 12.630 -1.391 -0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 116 11.078 -0.536 -1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 116 11.085 0.595 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 116 12.358 2.823 -0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 116 11.702 0.171 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 116 12.838 4.642 -2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 116 12.172 1.984 -5.713 1.00 0.00 H new ATOM 0 HH TYR A 116 12.057 5.093 -5.047 1.00 0.00 H new ATOM 1755 N ASP A 117 13.638 -2.113 -2.428 1.00 0.00 N ATOM 1756 CA ASP A 117 14.242 -2.474 -3.674 1.00 0.00 C ATOM 1757 C ASP A 117 13.188 -2.256 -4.735 1.00 0.00 C ATOM 1758 O ASP A 117 12.022 -2.536 -4.474 1.00 0.00 O ATOM 1759 CB ASP A 117 14.694 -3.937 -3.711 1.00 0.00 C ATOM 1760 CG ASP A 117 15.296 -4.289 -5.055 1.00 0.00 C ATOM 1761 OD1 ASP A 117 14.540 -4.634 -5.977 1.00 0.00 O ATOM 1762 OD2 ASP A 117 16.518 -4.171 -5.221 1.00 0.00 O ATOM 0 H ASP A 117 13.091 -2.845 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 117 15.135 -1.869 -3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.427 -4.114 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.844 -4.588 -3.508 1.00 0.00 H new ATOM 1767 N PRO A 118 13.545 -1.701 -5.903 1.00 0.00 N ATOM 1768 CA PRO A 118 12.627 -1.523 -7.060 1.00 0.00 C ATOM 1769 C PRO A 118 11.704 -2.760 -7.383 1.00 0.00 C ATOM 1770 O PRO A 118 10.605 -2.603 -7.922 1.00 0.00 O ATOM 1771 CB PRO A 118 13.611 -1.262 -8.205 1.00 0.00 C ATOM 1772 CG PRO A 118 14.724 -0.514 -7.565 1.00 0.00 C ATOM 1773 CD PRO A 118 14.884 -1.114 -6.193 1.00 0.00 C ATOM 0 HA PRO A 118 11.901 -0.732 -6.872 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.961 -2.194 -8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.148 -0.682 -9.003 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.643 -0.609 -8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.496 0.550 -7.503 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.666 -1.874 -6.177 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.158 -0.359 -5.456 1.00 0.00 H new ATOM 1781 N GLY A 119 12.112 -3.950 -6.990 1.00 0.00 N ATOM 1782 CA GLY A 119 11.333 -5.141 -7.288 1.00 0.00 C ATOM 1783 C GLY A 119 10.384 -5.429 -6.137 1.00 0.00 C ATOM 1784 O GLY A 119 9.238 -5.830 -6.334 1.00 0.00 O ATOM 0 H GLY A 119 12.971 -4.121 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.770 -4.998 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.996 -5.991 -7.448 1.00 0.00 H new ATOM 1788 N LEU A 120 10.865 -5.132 -4.943 1.00 0.00 N ATOM 1789 CA LEU A 120 10.106 -5.291 -3.712 1.00 0.00 C ATOM 1790 C LEU A 120 8.982 -4.271 -3.758 1.00 0.00 C ATOM 1791 O LEU A 120 7.821 -4.603 -3.556 1.00 0.00 O ATOM 1792 CB LEU A 120 11.043 -5.014 -2.517 1.00 0.00 C ATOM 1793 CG LEU A 120 10.434 -5.004 -1.121 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.661 -6.297 -0.863 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.541 -4.833 -0.097 1.00 0.00 C ATOM 0 H LEU A 120 11.807 -4.768 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 120 9.699 -6.297 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.834 -5.764 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.518 -4.047 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 120 9.734 -4.173 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.233 -6.271 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.861 -6.395 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.337 -7.148 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 120 11.112 -4.825 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.247 -5.659 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 120 12.061 -3.892 -0.277 1.00 0.00 H new ATOM 1807 N PHE A 121 9.350 -3.013 -4.069 1.00 0.00 N ATOM 1808 CA PHE A 121 8.378 -1.944 -4.279 1.00 0.00 C ATOM 1809 C PHE A 121 7.351 -2.318 -5.353 1.00 0.00 C ATOM 1810 O PHE A 121 6.160 -2.118 -5.160 1.00 0.00 O ATOM 1811 CB PHE A 121 9.071 -0.609 -4.631 1.00 0.00 C ATOM 1812 CG PHE A 121 8.108 0.503 -4.977 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.278 1.047 -4.010 1.00 0.00 C ATOM 1814 CD2 PHE A 121 8.032 0.997 -6.271 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.391 2.054 -4.325 1.00 0.00 C ATOM 1816 CE2 PHE A 121 7.148 2.008 -6.589 1.00 0.00 C ATOM 1817 CZ PHE A 121 6.326 2.536 -5.614 1.00 0.00 C ATOM 0 H PHE A 121 10.321 -2.720 -4.179 1.00 0.00 H new ATOM 0 HA PHE A 121 7.845 -1.810 -3.338 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.686 -0.296 -3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.744 -0.770 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.327 0.677 -2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 121 8.672 0.586 -7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.747 2.465 -3.562 1.00 0.00 H new ATOM 0 HE2 PHE A 121 7.099 2.386 -7.600 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.633 3.326 -5.861 1.00 0.00 H new ATOM 1827 N ALA A 122 7.816 -2.888 -6.456 1.00 0.00 N ATOM 1828 CA ALA A 122 6.926 -3.274 -7.546 1.00 0.00 C ATOM 1829 C ALA A 122 5.856 -4.265 -7.077 1.00 0.00 C ATOM 1830 O ALA A 122 4.651 -4.062 -7.323 1.00 0.00 O ATOM 1831 CB ALA A 122 7.706 -3.848 -8.725 1.00 0.00 C ATOM 0 H ALA A 122 8.801 -3.094 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 122 6.421 -2.368 -7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.013 -4.125 -9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 122 8.405 -3.099 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 122 8.258 -4.730 -8.401 1.00 0.00 H new ATOM 1837 N GLN A 123 6.278 -5.304 -6.373 1.00 0.00 N ATOM 1838 CA GLN A 123 5.353 -6.322 -5.914 1.00 0.00 C ATOM 1839 C GLN A 123 4.440 -5.832 -4.802 1.00 0.00 C ATOM 1840 O GLN A 123 3.256 -6.156 -4.806 1.00 0.00 O ATOM 1841 CB GLN A 123 6.055 -7.645 -5.540 1.00 0.00 C ATOM 1842 CG GLN A 123 7.213 -7.531 -4.557 1.00 0.00 C ATOM 1843 CD GLN A 123 7.697 -8.877 -4.055 1.00 0.00 C ATOM 1844 OE1 GLN A 123 7.518 -9.907 -4.847 1.00 0.00 O flip ATOM 1845 NE2 GLN A 123 8.212 -8.988 -2.950 1.00 0.00 N flip ATOM 0 H GLN A 123 7.251 -5.462 -6.109 1.00 0.00 H new ATOM 0 HA GLN A 123 4.713 -6.540 -6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.311 -8.321 -5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.425 -8.108 -6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.041 -7.009 -5.038 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.903 -6.922 -3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.336 -8.165 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.517 -9.903 -2.619 1.00 0.00 H new ATOM 1854 N ILE A 124 4.964 -5.042 -3.861 1.00 0.00 N ATOM 1855 CA ILE A 124 4.125 -4.540 -2.767 1.00 0.00 C ATOM 1856 C ILE A 124 3.038 -3.569 -3.280 1.00 0.00 C ATOM 1857 O ILE A 124 1.905 -3.615 -2.811 1.00 0.00 O ATOM 1858 CB ILE A 124 4.930 -3.895 -1.575 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.723 -2.669 -2.017 1.00 0.00 C ATOM 1860 CG2 ILE A 124 5.836 -4.910 -0.884 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.496 -1.973 -0.895 1.00 0.00 C ATOM 0 H ILE A 124 5.938 -4.742 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 124 3.642 -5.427 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 124 4.190 -3.563 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.427 -2.968 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.037 -1.952 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.372 -4.424 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.232 -5.725 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.552 -5.307 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 124 7.030 -1.113 -1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.799 -1.638 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.210 -2.671 -0.458 1.00 0.00 H new ATOM 1873 N GLN A 125 3.395 -2.737 -4.273 1.00 0.00 N ATOM 1874 CA GLN A 125 2.485 -1.771 -4.900 1.00 0.00 C ATOM 1875 C GLN A 125 1.297 -2.549 -5.487 1.00 0.00 C ATOM 1876 O GLN A 125 0.114 -2.309 -5.132 1.00 0.00 O ATOM 1877 CB GLN A 125 3.275 -1.074 -6.045 1.00 0.00 C ATOM 1878 CG GLN A 125 2.775 0.271 -6.568 1.00 0.00 C ATOM 1879 CD GLN A 125 1.355 0.276 -7.023 1.00 0.00 C ATOM 1880 OE1 GLN A 125 0.515 0.652 -6.144 1.00 0.00 O flip ATOM 1881 NE2 GLN A 125 1.033 -0.017 -8.170 1.00 0.00 N flip ATOM 0 H GLN A 125 4.336 -2.718 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 125 2.119 -1.032 -4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 125 4.300 -0.935 -5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.312 -1.764 -6.888 1.00 0.00 H new ATOM 0 HG2 GLN A 125 2.893 1.017 -5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 125 3.409 0.580 -7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 125 1.743 -0.313 -8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 125 0.055 0.036 -8.454 1.00 0.00 H new ATOM 1890 N ALA A 126 1.641 -3.519 -6.328 1.00 0.00 N ATOM 1891 CA ALA A 126 0.685 -4.327 -7.046 1.00 0.00 C ATOM 1892 C ALA A 126 -0.184 -5.138 -6.102 1.00 0.00 C ATOM 1893 O ALA A 126 -1.405 -5.086 -6.194 1.00 0.00 O ATOM 1894 CB ALA A 126 1.411 -5.245 -8.015 1.00 0.00 C ATOM 0 H ALA A 126 2.611 -3.763 -6.527 1.00 0.00 H new ATOM 0 HA ALA A 126 0.029 -3.658 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.684 -5.853 -8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.982 -4.646 -8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 126 2.089 -5.895 -7.462 1.00 0.00 H new ATOM 1900 N ALA A 127 0.454 -5.852 -5.169 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.248 -6.733 -4.245 1.00 0.00 C ATOM 1902 C ALA A 127 -1.268 -5.969 -3.429 1.00 0.00 C ATOM 1903 O ALA A 127 -2.404 -6.442 -3.238 1.00 0.00 O ATOM 1904 CB ALA A 127 0.741 -7.447 -3.322 1.00 0.00 C ATOM 0 H ALA A 127 1.465 -5.832 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.776 -7.481 -4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.196 -8.100 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.432 -8.042 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.301 -6.709 -2.748 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.871 -4.778 -2.976 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.729 -3.959 -2.164 1.00 0.00 C ATOM 1912 C ALA A 128 -2.987 -3.569 -2.897 1.00 0.00 C ATOM 1913 O ALA A 128 -4.033 -4.004 -2.530 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.994 -2.722 -1.683 1.00 0.00 C ATOM 0 H ALA A 128 0.045 -4.371 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.020 -4.554 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.662 -2.117 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.129 -3.020 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.662 -2.139 -2.542 1.00 0.00 H new ATOM 1920 N THR A 129 -2.880 -2.832 -3.968 1.00 0.00 N ATOM 1921 CA THR A 129 -4.114 -2.378 -4.632 1.00 0.00 C ATOM 1922 C THR A 129 -4.983 -3.565 -5.165 1.00 0.00 C ATOM 1923 O THR A 129 -6.274 -3.516 -5.142 1.00 0.00 O ATOM 1924 CB THR A 129 -3.854 -1.325 -5.749 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.105 -0.880 -6.319 1.00 0.00 O ATOM 1926 CG2 THR A 129 -2.950 -1.875 -6.853 1.00 0.00 C ATOM 0 H THR A 129 -2.005 -2.534 -4.399 1.00 0.00 H new ATOM 0 HA THR A 129 -4.690 -1.877 -3.854 1.00 0.00 H new ATOM 0 HB THR A 129 -3.342 -0.481 -5.287 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.195 -1.235 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.794 -1.108 -7.612 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.989 -2.164 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.421 -2.746 -7.309 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.292 -4.673 -5.500 1.00 0.00 N ATOM 1935 CA LYS A 130 -4.907 -5.845 -6.106 1.00 0.00 C ATOM 1936 C LYS A 130 -5.802 -6.503 -5.101 1.00 0.00 C ATOM 1937 O LYS A 130 -6.719 -7.198 -5.434 1.00 0.00 O ATOM 1938 CB LYS A 130 -3.825 -6.822 -6.591 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.348 -8.093 -7.228 1.00 0.00 C ATOM 1940 CD LYS A 130 -3.216 -9.004 -7.684 1.00 0.00 C ATOM 1941 CE LYS A 130 -2.418 -8.397 -8.846 1.00 0.00 C ATOM 1942 NZ LYS A 130 -3.261 -8.161 -10.046 1.00 0.00 N ATOM 0 H LYS A 130 -3.287 -4.769 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.499 -5.543 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.189 -6.308 -7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.194 -7.091 -5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.978 -8.625 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -4.977 -7.840 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.546 -9.196 -6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -3.627 -9.966 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -1.974 -7.455 -8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -1.596 -9.064 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -2.651 -7.979 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -3.847 -9.000 -10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -3.876 -7.338 -9.882 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.467 -6.294 -3.879 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.230 -6.668 -2.752 1.00 0.00 C ATOM 1958 C ALA A 131 -7.254 -5.601 -2.498 1.00 0.00 C ATOM 1959 O ALA A 131 -8.460 -5.851 -2.631 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.262 -6.761 -1.633 1.00 0.00 C ATOM 0 H ALA A 131 -4.596 -5.827 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.758 -7.612 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.786 -7.048 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.505 -7.509 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.782 -5.794 -1.486 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.763 -4.388 -2.296 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.526 -3.222 -1.843 1.00 0.00 C ATOM 1968 C TRP A 132 -8.528 -2.661 -2.883 1.00 0.00 C ATOM 1969 O TRP A 132 -8.795 -1.478 -2.923 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.596 -2.094 -1.366 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.734 -2.468 -0.209 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -5.236 -3.672 0.015 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -5.286 -1.657 0.882 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.417 -3.682 1.030 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -4.432 -2.472 1.625 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -5.477 -0.326 1.307 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.772 -2.030 2.725 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.823 0.080 2.412 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.981 -0.770 3.097 1.00 0.00 C ATOM 0 H TRP A 132 -5.777 -4.174 -2.449 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.121 -3.595 -1.010 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.960 -1.786 -2.196 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -7.201 -1.230 -1.091 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.479 -4.545 -0.573 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.854 -4.479 1.327 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -6.126 0.345 0.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -3.104 -2.675 3.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.961 1.090 2.768 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -3.470 -0.397 3.972 1.00 0.00 H new ATOM 1990 N ARG A 133 -9.004 -3.478 -3.753 1.00 0.00 N ATOM 1991 CA ARG A 133 -10.149 -3.097 -4.582 1.00 0.00 C ATOM 1992 C ARG A 133 -11.509 -3.902 -4.427 1.00 0.00 C ATOM 1993 O ARG A 133 -12.579 -3.290 -4.493 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.751 -2.855 -6.057 1.00 0.00 C ATOM 1995 CG ARG A 133 -10.929 -2.694 -7.031 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.456 -4.052 -7.440 1.00 0.00 C ATOM 1997 NE ARG A 133 -12.925 -4.112 -7.704 1.00 0.00 N ATOM 1998 CZ ARG A 133 -13.439 -5.046 -8.550 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -12.692 -5.517 -9.546 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -14.691 -5.453 -8.439 1.00 0.00 N ATOM 0 H ARG A 133 -8.639 -4.414 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.434 -2.146 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.132 -1.959 -6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.134 -3.688 -6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.723 -2.114 -6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.608 -2.139 -7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -10.928 -4.373 -8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.215 -4.769 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.548 -3.447 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -11.738 -5.178 -9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.073 -6.217 -10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.290 -5.066 -7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -15.058 -6.154 -9.083 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.453 -5.234 -4.231 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.630 -6.177 -4.576 1.00 0.00 C ATOM 2016 C LYS A 134 -14.021 -6.055 -3.901 1.00 0.00 C ATOM 2017 O LYS A 134 -14.678 -7.066 -3.699 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.271 -7.663 -4.667 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.521 -8.041 -5.926 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.164 -7.465 -5.936 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.338 -8.093 -4.866 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.807 -9.411 -5.301 1.00 0.00 N ATOM 0 H LYS A 134 -10.639 -5.712 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.790 -5.717 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -11.666 -7.933 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -13.187 -8.251 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.458 -9.127 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.073 -7.692 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -9.698 -7.626 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.216 -6.387 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -8.511 -7.432 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -9.939 -8.219 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -7.922 -9.613 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -9.504 -10.153 -5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -8.622 -9.390 -6.324 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.516 -4.907 -3.658 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.800 -4.819 -2.978 1.00 0.00 C ATOM 2038 C LEU A 135 -16.817 -4.484 -4.007 1.00 0.00 C ATOM 2039 O LEU A 135 -16.500 -3.733 -4.890 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.797 -3.715 -1.955 1.00 0.00 C ATOM 2041 CG LEU A 135 -15.167 -3.912 -0.593 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.898 -4.674 -0.670 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.860 -2.553 -0.087 1.00 0.00 C ATOM 0 H LEU A 135 -14.084 -4.016 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 135 -16.009 -5.762 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -15.304 -2.858 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.836 -3.433 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.847 -4.472 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -13.482 -4.791 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -14.089 -5.657 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -13.188 -4.135 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -14.401 -2.627 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -14.172 -2.057 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.781 -1.975 -0.015 1.00 0.00 H new ATOM 2055 N PRO A 136 -18.038 -5.030 -3.937 1.00 0.00 N ATOM 2056 CA PRO A 136 -19.097 -4.701 -4.894 1.00 0.00 C ATOM 2057 C PRO A 136 -19.665 -3.283 -4.659 1.00 0.00 C ATOM 2058 O PRO A 136 -19.089 -2.482 -3.898 1.00 0.00 O ATOM 2059 CB PRO A 136 -20.186 -5.775 -4.630 1.00 0.00 C ATOM 2060 CG PRO A 136 -19.560 -6.764 -3.701 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.492 -6.022 -2.959 1.00 0.00 C ATOM 0 HA PRO A 136 -18.732 -4.702 -5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -21.076 -5.329 -4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -20.498 -6.253 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -20.299 -7.174 -3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -19.139 -7.604 -4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -18.881 -5.550 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -17.682 -6.683 -2.649 1.00 0.00 H new ATOM 2069 N VAL A 137 -20.796 -2.998 -5.300 1.00 0.00 N ATOM 2070 CA VAL A 137 -21.471 -1.707 -5.223 1.00 0.00 C ATOM 2071 C VAL A 137 -21.720 -1.315 -3.761 1.00 0.00 C ATOM 2072 O VAL A 137 -22.272 -2.105 -2.983 1.00 0.00 O ATOM 2073 CB VAL A 137 -22.821 -1.750 -5.983 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -23.452 -0.376 -6.045 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -22.643 -2.316 -7.386 1.00 0.00 C ATOM 0 H VAL A 137 -21.277 -3.670 -5.898 1.00 0.00 H new ATOM 0 HA VAL A 137 -20.824 -0.962 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 137 -23.489 -2.411 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -24.398 -0.434 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -23.632 -0.012 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -22.781 0.309 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -23.606 -2.334 -7.896 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -21.948 -1.690 -7.946 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -22.247 -3.330 -7.322 1.00 0.00 H new ATOM 2085 N LYS A 138 -21.274 -0.122 -3.401 1.00 0.00 N ATOM 2086 CA LYS A 138 -21.345 0.425 -2.049 1.00 0.00 C ATOM 2087 C LYS A 138 -22.781 0.570 -1.502 1.00 0.00 C ATOM 2088 O LYS A 138 -22.991 0.632 -0.287 1.00 0.00 O ATOM 2089 CB LYS A 138 -20.491 1.735 -2.017 1.00 0.00 C ATOM 2090 CG LYS A 138 -20.644 2.692 -0.828 1.00 0.00 C ATOM 2091 CD LYS A 138 -21.755 3.701 -1.056 1.00 0.00 C ATOM 2092 CE LYS A 138 -21.331 4.746 -2.092 1.00 0.00 C ATOM 2093 NZ LYS A 138 -22.390 5.723 -2.397 1.00 0.00 N ATOM 0 H LYS A 138 -20.836 0.518 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 138 -20.916 -0.287 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -19.442 1.446 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -20.716 2.297 -2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -20.853 2.119 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -19.704 3.218 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -22.655 3.188 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -22.005 4.193 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -20.452 5.276 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -21.038 4.239 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -22.042 6.403 -3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -23.222 5.226 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -22.654 6.231 -1.529 1.00 0.00 H new ATOM 2107 N GLY A 139 -23.735 0.620 -2.372 1.00 0.00 N ATOM 2108 CA GLY A 139 -25.102 0.630 -1.951 1.00 0.00 C ATOM 2109 C GLY A 139 -25.885 1.727 -2.583 1.00 0.00 C ATOM 2110 O GLY A 139 -26.749 1.477 -3.438 1.00 0.00 O ATOM 0 H GLY A 139 -23.595 0.655 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -25.561 -0.328 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -25.144 0.736 -0.867 1.00 0.00 H new ATOM 2114 N ASP A 140 -25.599 2.934 -2.181 1.00 0.00 N ATOM 2115 CA ASP A 140 -26.279 4.073 -2.720 1.00 0.00 C ATOM 2116 C ASP A 140 -25.563 4.511 -3.968 1.00 0.00 C ATOM 2117 O ASP A 140 -24.373 4.881 -3.895 1.00 0.00 O ATOM 2118 CB ASP A 140 -26.460 5.235 -1.698 1.00 0.00 C ATOM 2119 CG ASP A 140 -25.185 5.922 -1.234 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -24.527 5.425 -0.285 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -24.820 6.989 -1.778 1.00 0.00 O ATOM 2122 OXT ASP A 140 -26.163 4.444 -5.046 1.00 0.00 O ATOM 0 H ASP A 140 -24.894 3.153 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 140 -27.299 3.778 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -27.112 5.986 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -26.978 4.844 -0.822 1.00 0.00 H new TER 2127 ASP A 140