USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 930 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 40 TYR OH : rot -148:sc= 0.732 USER MOD Set 1.2: A 74 THR OG1 : rot -163:sc= 1.09 USER MOD Set 1.3: A 92 ASN : amide:sc= -0.106 K(o=1.7,f=-3.4!) USER MOD Single : A 0 MET CE :methyl 158:sc= -0.717 (180deg=-1.34) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.102 (180deg=-0.548) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A -1 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.00098) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.53) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 24 MET CE :methyl -163:sc= -0.0618 (180deg=-0.435) USER MOD Single : A 25 CYS SG : rot 17:sc= 0.892 USER MOD Single : A 33 ASN : amide:sc= -1.15! C(o=-1.1!,f=-4.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 142:sc= -1.03 (180deg=-1.29) USER MOD Single : A 48 THR OG1 : rot -160:sc= 1.15 USER MOD Single : A 55 THR OG1 : rot -31:sc= 1.31 USER MOD Single : A 56 SER OG : rot -73:sc= 0.641 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.282 K(o=-0.28,f=-6.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.0342 X(o=0.034,f=-0.073) USER MOD Single : A 87 HIS : no HD1:sc=-0.00563 X(o=-0.0056,f=0) USER MOD Single : A 97 THR OG1 : rot -67:sc= 0.717 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A -10 SER OG : rot 141:sc= 1.25 USER MOD Single : A -11 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A -12 HIS : no HE2:sc= 0.162 K(o=0.16,f=-0.59) USER MOD Single : A -13 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A -16 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.01) USER MOD Single : A -17 SER OG : rot 180:sc= 0.0869 USER MOD Single : A -18 SER OG : rot 180:sc= 0 USER MOD Single : A -20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -20 MET N :NH3+ -166:sc= -0.0416 (180deg=-0.289) USER MOD Single : A 102 SER OG : rot 50:sc= 0.455 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -20 105.986 31.774 -16.769 1.00 0.00 N ATOM 2 CA MET A -20 106.186 31.423 -15.344 1.00 0.00 C ATOM 3 C MET A -20 107.636 31.039 -15.097 1.00 0.00 C ATOM 4 O MET A -20 108.372 31.751 -14.412 1.00 0.00 O ATOM 5 CB MET A -20 105.279 30.254 -14.938 1.00 0.00 C ATOM 6 CG MET A -20 103.800 30.501 -15.173 1.00 0.00 C ATOM 7 SD MET A -20 102.788 29.063 -14.766 1.00 0.00 S ATOM 8 CE MET A -20 101.170 29.629 -15.289 1.00 0.00 C ATOM 0 H1 MET A -20 105.071 32.256 -16.883 1.00 0.00 H new ATOM 0 H2 MET A -20 106.751 32.405 -17.082 1.00 0.00 H new ATOM 0 H3 MET A -20 105.995 30.908 -17.344 1.00 0.00 H new ATOM 0 HA MET A -20 105.930 32.296 -14.743 1.00 0.00 H new ATOM 0 HB2 MET A -20 105.580 29.366 -15.494 1.00 0.00 H new ATOM 0 HB3 MET A -20 105.436 30.037 -13.881 1.00 0.00 H new ATOM 0 HG2 MET A -20 103.477 31.351 -14.572 1.00 0.00 H new ATOM 0 HG3 MET A -20 103.641 30.770 -16.217 1.00 0.00 H new ATOM 0 HE1 MET A -20 100.433 28.848 -15.102 1.00 0.00 H new ATOM 0 HE2 MET A -20 100.900 30.525 -14.730 1.00 0.00 H new ATOM 0 HE3 MET A -20 101.192 29.859 -16.354 1.00 0.00 H new ATOM 20 N GLY A -19 108.047 29.915 -15.670 1.00 0.00 N ATOM 21 CA GLY A -19 109.401 29.441 -15.483 1.00 0.00 C ATOM 22 C GLY A -19 109.531 28.588 -14.240 1.00 0.00 C ATOM 23 O GLY A -19 110.629 28.398 -13.716 1.00 0.00 O ATOM 0 H GLY A -19 107.464 29.323 -16.262 1.00 0.00 H new ATOM 0 HA2 GLY A -19 109.707 28.862 -16.355 1.00 0.00 H new ATOM 0 HA3 GLY A -19 110.078 30.293 -15.412 1.00 0.00 H new ATOM 27 N SER A -18 108.405 28.054 -13.785 1.00 0.00 N ATOM 28 CA SER A -18 108.357 27.250 -12.570 1.00 0.00 C ATOM 29 C SER A -18 109.067 25.914 -12.776 1.00 0.00 C ATOM 30 O SER A -18 109.407 25.216 -11.814 1.00 0.00 O ATOM 31 CB SER A -18 106.900 27.013 -12.172 1.00 0.00 C ATOM 32 OG SER A -18 106.169 28.229 -12.171 1.00 0.00 O ATOM 0 H SER A -18 107.502 28.165 -14.246 1.00 0.00 H new ATOM 0 HA SER A -18 108.869 27.789 -11.773 1.00 0.00 H new ATOM 0 HB2 SER A -18 106.440 26.309 -12.865 1.00 0.00 H new ATOM 0 HB3 SER A -18 106.859 26.559 -11.182 1.00 0.00 H new ATOM 0 HG SER A -18 105.240 28.052 -11.915 1.00 0.00 H new ATOM 38 N SER A -17 109.286 25.572 -14.036 1.00 0.00 N ATOM 39 CA SER A -17 109.942 24.331 -14.400 1.00 0.00 C ATOM 40 C SER A -17 111.462 24.489 -14.425 1.00 0.00 C ATOM 41 O SER A -17 112.194 23.510 -14.569 1.00 0.00 O ATOM 42 CB SER A -17 109.420 23.872 -15.760 1.00 0.00 C ATOM 43 OG SER A -17 109.275 24.977 -16.640 1.00 0.00 O ATOM 0 H SER A -17 109.013 26.148 -14.833 1.00 0.00 H new ATOM 0 HA SER A -17 109.712 23.576 -13.648 1.00 0.00 H new ATOM 0 HB2 SER A -17 110.107 23.144 -16.192 1.00 0.00 H new ATOM 0 HB3 SER A -17 108.460 23.370 -15.636 1.00 0.00 H new ATOM 0 HG SER A -17 108.941 24.664 -17.507 1.00 0.00 H new ATOM 49 N HIS A -16 111.938 25.726 -14.273 1.00 0.00 N ATOM 50 CA HIS A -16 113.375 25.986 -14.253 1.00 0.00 C ATOM 51 C HIS A -16 114.003 25.454 -12.974 1.00 0.00 C ATOM 52 O HIS A -16 115.134 24.968 -12.982 1.00 0.00 O ATOM 53 CB HIS A -16 113.679 27.479 -14.404 1.00 0.00 C ATOM 54 CG HIS A -16 113.656 27.954 -15.824 1.00 0.00 C ATOM 55 ND1 HIS A -16 112.977 29.079 -16.238 1.00 0.00 N ATOM 56 CD2 HIS A -16 114.247 27.447 -16.932 1.00 0.00 C ATOM 57 CE1 HIS A -16 113.147 29.240 -17.537 1.00 0.00 C ATOM 58 NE2 HIS A -16 113.917 28.266 -17.981 1.00 0.00 N ATOM 0 H HIS A -16 111.354 26.555 -14.163 1.00 0.00 H new ATOM 0 HA HIS A -16 113.810 25.463 -15.105 1.00 0.00 H new ATOM 0 HB2 HIS A -16 112.952 28.050 -13.827 1.00 0.00 H new ATOM 0 HB3 HIS A -16 114.660 27.687 -13.976 1.00 0.00 H new ATOM 0 HD2 HIS A -16 114.864 26.562 -16.980 1.00 0.00 H new ATOM 0 HE1 HIS A -16 112.727 30.035 -18.135 1.00 0.00 H new ATOM 0 HE2 HIS A -16 114.218 28.142 -18.948 1.00 0.00 H new ATOM 67 N HIS A -15 113.265 25.543 -11.881 1.00 0.00 N ATOM 68 CA HIS A -15 113.733 25.034 -10.602 1.00 0.00 C ATOM 69 C HIS A -15 113.013 23.728 -10.291 1.00 0.00 C ATOM 70 O HIS A -15 111.809 23.719 -10.032 1.00 0.00 O ATOM 71 CB HIS A -15 113.486 26.067 -9.497 1.00 0.00 C ATOM 72 CG HIS A -15 114.297 25.837 -8.257 1.00 0.00 C ATOM 73 ND1 HIS A -15 114.265 26.686 -7.172 1.00 0.00 N ATOM 74 CD2 HIS A -15 115.182 24.861 -7.940 1.00 0.00 C ATOM 75 CE1 HIS A -15 115.090 26.241 -6.244 1.00 0.00 C ATOM 76 NE2 HIS A -15 115.657 25.137 -6.685 1.00 0.00 N ATOM 0 H HIS A -15 112.336 25.964 -11.853 1.00 0.00 H new ATOM 0 HA HIS A -15 114.806 24.847 -10.653 1.00 0.00 H new ATOM 0 HB2 HIS A -15 113.709 27.061 -9.886 1.00 0.00 H new ATOM 0 HB3 HIS A -15 112.428 26.057 -9.234 1.00 0.00 H new ATOM 0 HD2 HIS A -15 115.461 24.022 -8.561 1.00 0.00 H new ATOM 0 HE1 HIS A -15 115.270 26.704 -5.285 1.00 0.00 H new ATOM 0 HE2 HIS A -15 116.340 24.577 -6.174 1.00 0.00 H new ATOM 85 N HIS A -14 113.752 22.627 -10.318 1.00 0.00 N ATOM 86 CA HIS A -14 113.146 21.307 -10.219 1.00 0.00 C ATOM 87 C HIS A -14 112.950 20.886 -8.774 1.00 0.00 C ATOM 88 O HIS A -14 113.858 20.361 -8.128 1.00 0.00 O ATOM 89 CB HIS A -14 113.976 20.261 -10.962 1.00 0.00 C ATOM 90 CG HIS A -14 114.134 20.556 -12.418 1.00 0.00 C ATOM 91 ND1 HIS A -14 113.182 20.240 -13.363 1.00 0.00 N ATOM 92 CD2 HIS A -14 115.140 21.160 -13.089 1.00 0.00 C ATOM 93 CE1 HIS A -14 113.599 20.636 -14.551 1.00 0.00 C ATOM 94 NE2 HIS A -14 114.784 21.198 -14.411 1.00 0.00 N ATOM 0 H HIS A -14 114.768 22.622 -10.407 1.00 0.00 H new ATOM 0 HA HIS A -14 112.165 21.372 -10.689 1.00 0.00 H new ATOM 0 HB2 HIS A -14 114.962 20.197 -10.502 1.00 0.00 H new ATOM 0 HB3 HIS A -14 113.506 19.285 -10.845 1.00 0.00 H new ATOM 0 HD2 HIS A -14 116.055 21.542 -12.662 1.00 0.00 H new ATOM 0 HE1 HIS A -14 113.061 20.520 -15.480 1.00 0.00 H new ATOM 0 HE2 HIS A -14 115.344 21.596 -15.165 1.00 0.00 H new ATOM 103 N HIS A -13 111.766 21.171 -8.268 1.00 0.00 N ATOM 104 CA HIS A -13 111.332 20.694 -6.965 1.00 0.00 C ATOM 105 C HIS A -13 109.812 20.611 -6.975 1.00 0.00 C ATOM 106 O HIS A -13 109.160 20.447 -5.945 1.00 0.00 O ATOM 107 CB HIS A -13 111.824 21.634 -5.858 1.00 0.00 C ATOM 108 CG HIS A -13 111.624 21.108 -4.467 1.00 0.00 C ATOM 109 ND1 HIS A -13 112.319 20.031 -3.963 1.00 0.00 N ATOM 110 CD2 HIS A -13 110.796 21.515 -3.474 1.00 0.00 C ATOM 111 CE1 HIS A -13 111.935 19.803 -2.721 1.00 0.00 C ATOM 112 NE2 HIS A -13 111.011 20.688 -2.399 1.00 0.00 N ATOM 0 H HIS A -13 111.073 21.743 -8.750 1.00 0.00 H new ATOM 0 HA HIS A -13 111.753 19.709 -6.764 1.00 0.00 H new ATOM 0 HB2 HIS A -13 112.885 21.831 -6.010 1.00 0.00 H new ATOM 0 HB3 HIS A -13 111.306 22.588 -5.951 1.00 0.00 H new ATOM 0 HD2 HIS A -13 110.097 22.337 -3.520 1.00 0.00 H new ATOM 0 HE1 HIS A -13 112.313 19.023 -2.077 1.00 0.00 H new ATOM 0 HE2 HIS A -13 110.534 20.748 -1.499 1.00 0.00 H new ATOM 121 N HIS A -12 109.259 20.705 -8.176 1.00 0.00 N ATOM 122 CA HIS A -12 107.821 20.747 -8.360 1.00 0.00 C ATOM 123 C HIS A -12 107.379 19.554 -9.194 1.00 0.00 C ATOM 124 O HIS A -12 107.765 19.422 -10.357 1.00 0.00 O ATOM 125 CB HIS A -12 107.402 22.056 -9.050 1.00 0.00 C ATOM 126 CG HIS A -12 107.937 23.293 -8.387 1.00 0.00 C ATOM 127 ND1 HIS A -12 108.791 24.175 -9.018 1.00 0.00 N ATOM 128 CD2 HIS A -12 107.739 23.792 -7.143 1.00 0.00 C ATOM 129 CE1 HIS A -12 109.097 25.157 -8.190 1.00 0.00 C ATOM 130 NE2 HIS A -12 108.473 24.950 -7.047 1.00 0.00 N ATOM 0 H HIS A -12 109.793 20.754 -9.043 1.00 0.00 H new ATOM 0 HA HIS A -12 107.340 20.704 -7.383 1.00 0.00 H new ATOM 0 HB2 HIS A -12 107.743 22.034 -10.085 1.00 0.00 H new ATOM 0 HB3 HIS A -12 106.314 22.110 -9.074 1.00 0.00 H new ATOM 0 HD1 HIS A -12 109.132 24.083 -9.975 1.00 0.00 H new ATOM 0 HD2 HIS A -12 107.120 23.360 -6.371 1.00 0.00 H new ATOM 0 HE1 HIS A -12 109.749 25.989 -8.412 1.00 0.00 H new ATOM 139 N HIS A -11 106.594 18.673 -8.590 1.00 0.00 N ATOM 140 CA HIS A -11 106.069 17.506 -9.297 1.00 0.00 C ATOM 141 C HIS A -11 104.759 17.860 -9.990 1.00 0.00 C ATOM 142 O HIS A -11 104.107 17.007 -10.599 1.00 0.00 O ATOM 143 CB HIS A -11 105.866 16.329 -8.335 1.00 0.00 C ATOM 144 CG HIS A -11 107.148 15.756 -7.809 1.00 0.00 C ATOM 145 ND1 HIS A -11 107.648 14.533 -8.203 1.00 0.00 N ATOM 146 CD2 HIS A -11 108.035 16.247 -6.911 1.00 0.00 C ATOM 147 CE1 HIS A -11 108.784 14.299 -7.573 1.00 0.00 C ATOM 148 NE2 HIS A -11 109.042 15.325 -6.785 1.00 0.00 N ATOM 0 H HIS A -11 106.305 18.741 -7.614 1.00 0.00 H new ATOM 0 HA HIS A -11 106.796 17.204 -10.051 1.00 0.00 H new ATOM 0 HB2 HIS A -11 105.253 16.658 -7.496 1.00 0.00 H new ATOM 0 HB3 HIS A -11 105.310 15.544 -8.847 1.00 0.00 H new ATOM 0 HD2 HIS A -11 107.963 17.190 -6.390 1.00 0.00 H new ATOM 0 HE1 HIS A -11 109.398 13.417 -7.684 1.00 0.00 H new ATOM 0 HE2 HIS A -11 109.858 15.417 -6.180 1.00 0.00 H new ATOM 157 N SER A -10 104.392 19.126 -9.892 1.00 0.00 N ATOM 158 CA SER A -10 103.208 19.649 -10.543 1.00 0.00 C ATOM 159 C SER A -10 103.588 20.856 -11.397 1.00 0.00 C ATOM 160 O SER A -10 104.774 21.127 -11.599 1.00 0.00 O ATOM 161 CB SER A -10 102.174 20.039 -9.489 1.00 0.00 C ATOM 162 OG SER A -10 102.736 20.930 -8.539 1.00 0.00 O ATOM 0 H SER A -10 104.911 19.822 -9.356 1.00 0.00 H new ATOM 0 HA SER A -10 102.775 18.886 -11.189 1.00 0.00 H new ATOM 0 HB2 SER A -10 101.316 20.507 -9.971 1.00 0.00 H new ATOM 0 HB3 SER A -10 101.808 19.145 -8.984 1.00 0.00 H new ATOM 0 HG SER A -10 102.073 21.610 -8.296 1.00 0.00 H new ATOM 168 N SER A -9 102.590 21.577 -11.893 1.00 0.00 N ATOM 169 CA SER A -9 102.833 22.763 -12.704 1.00 0.00 C ATOM 170 C SER A -9 103.358 23.917 -11.845 1.00 0.00 C ATOM 171 O SER A -9 103.902 24.894 -12.361 1.00 0.00 O ATOM 172 CB SER A -9 101.540 23.177 -13.405 1.00 0.00 C ATOM 173 OG SER A -9 100.930 22.063 -14.040 1.00 0.00 O ATOM 0 H SER A -9 101.604 21.361 -11.748 1.00 0.00 H new ATOM 0 HA SER A -9 103.592 22.525 -13.450 1.00 0.00 H new ATOM 0 HB2 SER A -9 100.851 23.610 -12.680 1.00 0.00 H new ATOM 0 HB3 SER A -9 101.753 23.950 -14.143 1.00 0.00 H new ATOM 0 HG SER A -9 100.103 22.350 -14.481 1.00 0.00 H new ATOM 179 N GLY A -8 103.197 23.792 -10.533 1.00 0.00 N ATOM 180 CA GLY A -8 103.644 24.828 -9.629 1.00 0.00 C ATOM 181 C GLY A -8 103.400 24.460 -8.183 1.00 0.00 C ATOM 182 O GLY A -8 104.328 24.089 -7.465 1.00 0.00 O ATOM 0 H GLY A -8 102.763 22.988 -10.080 1.00 0.00 H new ATOM 0 HA2 GLY A -8 104.708 25.009 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A -8 103.125 25.759 -9.859 1.00 0.00 H new ATOM 186 N LEU A -7 102.147 24.550 -7.760 1.00 0.00 N ATOM 187 CA LEU A -7 101.776 24.217 -6.391 1.00 0.00 C ATOM 188 C LEU A -7 101.073 22.866 -6.347 1.00 0.00 C ATOM 189 O LEU A -7 100.737 22.300 -7.389 1.00 0.00 O ATOM 190 CB LEU A -7 100.875 25.305 -5.799 1.00 0.00 C ATOM 191 CG LEU A -7 101.515 26.690 -5.681 1.00 0.00 C ATOM 192 CD1 LEU A -7 100.520 27.691 -5.114 1.00 0.00 C ATOM 193 CD2 LEU A -7 102.767 26.627 -4.814 1.00 0.00 C ATOM 0 H LEU A -7 101.368 24.851 -8.346 1.00 0.00 H new ATOM 0 HA LEU A -7 102.685 24.157 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A -7 99.980 25.388 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A -7 100.551 24.987 -4.808 1.00 0.00 H new ATOM 0 HG LEU A -7 101.804 27.022 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A -7 100.993 28.670 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A -7 99.654 27.757 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A -7 100.199 27.365 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A -7 103.209 27.621 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A -7 102.502 26.273 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A -7 103.486 25.942 -5.263 1.00 0.00 H new ATOM 205 N VAL A -6 100.855 22.354 -5.146 1.00 0.00 N ATOM 206 CA VAL A -6 100.230 21.050 -4.967 1.00 0.00 C ATOM 207 C VAL A -6 98.879 21.188 -4.265 1.00 0.00 C ATOM 208 O VAL A -6 98.606 22.209 -3.634 1.00 0.00 O ATOM 209 CB VAL A -6 101.137 20.096 -4.156 1.00 0.00 C ATOM 210 CG1 VAL A -6 102.415 19.788 -4.923 1.00 0.00 C ATOM 211 CG2 VAL A -6 101.460 20.686 -2.788 1.00 0.00 C ATOM 0 H VAL A -6 101.103 22.824 -4.275 1.00 0.00 H new ATOM 0 HA VAL A -6 100.078 20.626 -5.959 1.00 0.00 H new ATOM 0 HB VAL A -6 100.596 19.162 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A -6 103.039 19.115 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A -6 102.165 19.314 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A -6 102.958 20.714 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A -6 102.099 19.997 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A -6 101.977 21.637 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A -6 100.535 20.846 -2.233 1.00 0.00 H new ATOM 221 N PRO A -5 98.007 20.172 -4.390 1.00 0.00 N ATOM 222 CA PRO A -5 96.713 20.150 -3.702 1.00 0.00 C ATOM 223 C PRO A -5 96.873 20.027 -2.189 1.00 0.00 C ATOM 224 O PRO A -5 97.898 19.543 -1.698 1.00 0.00 O ATOM 225 CB PRO A -5 96.011 18.906 -4.265 1.00 0.00 C ATOM 226 CG PRO A -5 96.789 18.526 -5.480 1.00 0.00 C ATOM 227 CD PRO A -5 98.196 18.977 -5.224 1.00 0.00 C ATOM 0 HA PRO A -5 96.155 21.072 -3.865 1.00 0.00 H new ATOM 0 HB2 PRO A -5 96.002 18.096 -3.535 1.00 0.00 H new ATOM 0 HB3 PRO A -5 94.972 19.121 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A -5 96.748 17.450 -5.649 1.00 0.00 H new ATOM 0 HG3 PRO A -5 96.381 19.004 -6.370 1.00 0.00 H new ATOM 0 HD2 PRO A -5 98.779 18.213 -4.710 1.00 0.00 H new ATOM 0 HD3 PRO A -5 98.721 19.209 -6.150 1.00 0.00 H new ATOM 235 N ARG A -4 95.856 20.456 -1.453 1.00 0.00 N ATOM 236 CA ARG A -4 95.903 20.426 0.004 1.00 0.00 C ATOM 237 C ARG A -4 95.709 19.003 0.509 1.00 0.00 C ATOM 238 O ARG A -4 96.220 18.630 1.565 1.00 0.00 O ATOM 239 CB ARG A -4 94.833 21.345 0.595 1.00 0.00 C ATOM 240 CG ARG A -4 94.865 22.753 0.030 1.00 0.00 C ATOM 241 CD ARG A -4 93.886 23.661 0.752 1.00 0.00 C ATOM 242 NE ARG A -4 93.692 24.930 0.052 1.00 0.00 N ATOM 243 CZ ARG A -4 93.727 26.122 0.642 1.00 0.00 C ATOM 244 NH1 ARG A -4 94.077 26.225 1.920 1.00 0.00 N ATOM 245 NH2 ARG A -4 93.446 27.214 -0.057 1.00 0.00 N ATOM 0 H ARG A -4 94.989 20.829 -1.840 1.00 0.00 H new ATOM 0 HA ARG A -4 96.882 20.783 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A -4 93.850 20.911 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A -4 94.963 21.393 1.676 1.00 0.00 H new ATOM 0 HG2 ARG A -4 95.873 23.159 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A -4 94.623 22.726 -1.032 1.00 0.00 H new ATOM 0 HD2 ARG A -4 92.927 23.153 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A -4 94.250 23.856 1.761 1.00 0.00 H new ATOM 0 HE ARG A -4 93.519 24.899 -0.953 1.00 0.00 H new ATOM 0 HH11 ARG A -4 94.320 25.389 2.451 1.00 0.00 H new ATOM 0 HH12 ARG A -4 94.103 27.140 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A -4 93.204 27.139 -1.045 1.00 0.00 H new ATOM 0 HH22 ARG A -4 93.472 28.129 0.394 1.00 0.00 H new ATOM 259 N GLY A -3 94.964 18.219 -0.253 1.00 0.00 N ATOM 260 CA GLY A -3 94.772 16.825 0.075 1.00 0.00 C ATOM 261 C GLY A -3 95.675 15.930 -0.746 1.00 0.00 C ATOM 262 O GLY A -3 95.793 16.103 -1.960 1.00 0.00 O ATOM 0 H GLY A -3 94.486 18.527 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A -3 94.971 16.669 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A -3 93.732 16.550 -0.098 1.00 0.00 H new ATOM 266 N SER A -2 96.317 14.978 -0.091 1.00 0.00 N ATOM 267 CA SER A -2 97.227 14.074 -0.770 1.00 0.00 C ATOM 268 C SER A -2 96.460 12.906 -1.388 1.00 0.00 C ATOM 269 O SER A -2 96.162 11.918 -0.715 1.00 0.00 O ATOM 270 CB SER A -2 98.288 13.567 0.207 1.00 0.00 C ATOM 271 OG SER A -2 98.959 14.650 0.836 1.00 0.00 O ATOM 0 H SER A -2 96.224 14.812 0.911 1.00 0.00 H new ATOM 0 HA SER A -2 97.725 14.616 -1.574 1.00 0.00 H new ATOM 0 HB2 SER A -2 97.820 12.936 0.963 1.00 0.00 H new ATOM 0 HB3 SER A -2 99.010 12.946 -0.324 1.00 0.00 H new ATOM 0 HG SER A -2 99.632 14.301 1.458 1.00 0.00 H new ATOM 277 N HIS A -1 96.115 13.045 -2.662 1.00 0.00 N ATOM 278 CA HIS A -1 95.393 12.004 -3.383 1.00 0.00 C ATOM 279 C HIS A -1 96.309 10.810 -3.645 1.00 0.00 C ATOM 280 O HIS A -1 97.208 10.877 -4.484 1.00 0.00 O ATOM 281 CB HIS A -1 94.843 12.561 -4.706 1.00 0.00 C ATOM 282 CG HIS A -1 93.920 11.627 -5.440 1.00 0.00 C ATOM 283 ND1 HIS A -1 92.580 11.892 -5.631 1.00 0.00 N ATOM 284 CD2 HIS A -1 94.151 10.436 -6.044 1.00 0.00 C ATOM 285 CE1 HIS A -1 92.032 10.908 -6.316 1.00 0.00 C ATOM 286 NE2 HIS A -1 92.961 10.012 -6.581 1.00 0.00 N ATOM 0 H HIS A -1 96.325 13.873 -3.220 1.00 0.00 H new ATOM 0 HA HIS A -1 94.555 11.669 -2.772 1.00 0.00 H new ATOM 0 HB2 HIS A -1 94.312 13.490 -4.501 1.00 0.00 H new ATOM 0 HB3 HIS A -1 95.681 12.810 -5.357 1.00 0.00 H new ATOM 0 HD2 HIS A -1 95.097 9.917 -6.094 1.00 0.00 H new ATOM 0 HE1 HIS A -1 90.995 10.847 -6.611 1.00 0.00 H new ATOM 0 HE2 HIS A -1 92.819 9.145 -7.100 1.00 0.00 H new ATOM 295 N MET A 0 96.078 9.730 -2.913 1.00 0.00 N ATOM 296 CA MET A 0 96.873 8.517 -3.058 1.00 0.00 C ATOM 297 C MET A 0 96.250 7.586 -4.089 1.00 0.00 C ATOM 298 O MET A 0 95.120 7.802 -4.530 1.00 0.00 O ATOM 299 CB MET A 0 96.991 7.788 -1.720 1.00 0.00 C ATOM 300 CG MET A 0 97.825 8.524 -0.685 1.00 0.00 C ATOM 301 SD MET A 0 97.858 7.672 0.902 1.00 0.00 S ATOM 302 CE MET A 0 98.457 6.055 0.411 1.00 0.00 C ATOM 0 H MET A 0 95.343 9.668 -2.209 1.00 0.00 H new ATOM 0 HA MET A 0 97.868 8.808 -3.396 1.00 0.00 H new ATOM 0 HB2 MET A 0 95.991 7.626 -1.317 1.00 0.00 H new ATOM 0 HB3 MET A 0 97.429 6.805 -1.891 1.00 0.00 H new ATOM 0 HG2 MET A 0 98.844 8.635 -1.056 1.00 0.00 H new ATOM 0 HG3 MET A 0 97.424 9.528 -0.547 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.897 5.553 1.273 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.627 5.460 0.029 1.00 0.00 H new ATOM 0 HE3 MET A 0 99.212 6.167 -0.367 1.00 0.00 H new ATOM 312 N MET A 1 96.981 6.545 -4.457 1.00 0.00 N ATOM 313 CA MET A 1 96.489 5.574 -5.425 1.00 0.00 C ATOM 314 C MET A 1 95.878 4.367 -4.728 1.00 0.00 C ATOM 315 O MET A 1 95.566 3.362 -5.368 1.00 0.00 O ATOM 316 CB MET A 1 97.605 5.127 -6.371 1.00 0.00 C ATOM 317 CG MET A 1 98.021 6.192 -7.370 1.00 0.00 C ATOM 318 SD MET A 1 96.663 6.717 -8.435 1.00 0.00 S ATOM 319 CE MET A 1 96.236 5.173 -9.239 1.00 0.00 C ATOM 0 H MET A 1 97.917 6.350 -4.101 1.00 0.00 H new ATOM 0 HA MET A 1 95.712 6.063 -6.013 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.474 4.835 -5.781 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.276 4.241 -6.914 1.00 0.00 H new ATOM 0 HG2 MET A 1 98.410 7.056 -6.832 1.00 0.00 H new ATOM 0 HG3 MET A 1 98.833 5.808 -7.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 95.637 5.378 -10.126 1.00 0.00 H new ATOM 0 HE2 MET A 1 97.147 4.650 -9.529 1.00 0.00 H new ATOM 0 HE3 MET A 1 95.664 4.551 -8.551 1.00 0.00 H new ATOM 329 N PHE A 2 95.719 4.462 -3.413 1.00 0.00 N ATOM 330 CA PHE A 2 95.009 3.436 -2.666 1.00 0.00 C ATOM 331 C PHE A 2 93.526 3.530 -2.992 1.00 0.00 C ATOM 332 O PHE A 2 92.818 4.400 -2.481 1.00 0.00 O ATOM 333 CB PHE A 2 95.238 3.590 -1.157 1.00 0.00 C ATOM 334 CG PHE A 2 94.564 2.528 -0.325 1.00 0.00 C ATOM 335 CD1 PHE A 2 95.199 1.323 -0.063 1.00 0.00 C ATOM 336 CD2 PHE A 2 93.294 2.736 0.195 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.582 0.349 0.701 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.673 1.765 0.960 1.00 0.00 C ATOM 339 CZ PHE A 2 93.317 0.569 1.213 1.00 0.00 C ATOM 0 H PHE A 2 96.070 5.234 -2.847 1.00 0.00 H new ATOM 0 HA PHE A 2 95.390 2.456 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 2 96.309 3.568 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.875 4.569 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 2 96.187 1.143 -0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.784 3.668 -0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 2 95.089 -0.584 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 2 91.685 1.942 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.834 -0.191 1.809 1.00 0.00 H new ATOM 349 N LYS A 3 93.067 2.660 -3.873 1.00 0.00 N ATOM 350 CA LYS A 3 91.689 2.703 -4.315 1.00 0.00 C ATOM 351 C LYS A 3 90.821 1.762 -3.499 1.00 0.00 C ATOM 352 O LYS A 3 90.956 0.540 -3.586 1.00 0.00 O ATOM 353 CB LYS A 3 91.571 2.344 -5.798 1.00 0.00 C ATOM 354 CG LYS A 3 90.129 2.306 -6.281 1.00 0.00 C ATOM 355 CD LYS A 3 90.017 1.833 -7.718 1.00 0.00 C ATOM 356 CE LYS A 3 88.561 1.708 -8.140 1.00 0.00 C ATOM 357 NZ LYS A 3 88.424 1.229 -9.540 1.00 0.00 N ATOM 0 H LYS A 3 93.627 1.919 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 3 91.339 3.725 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.128 3.071 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.033 1.372 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 3 89.549 1.645 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 3 89.692 3.301 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 3 90.531 2.534 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 3 90.515 0.869 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 3 88.048 1.019 -7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 3 88.070 2.676 -8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 87.416 1.158 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 88.891 1.899 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 88.869 0.294 -9.632 1.00 0.00 H new ATOM 371 N LEU A 4 89.949 2.337 -2.696 1.00 0.00 N ATOM 372 CA LEU A 4 88.914 1.570 -2.037 1.00 0.00 C ATOM 373 C LEU A 4 87.722 1.496 -2.982 1.00 0.00 C ATOM 374 O LEU A 4 86.996 2.479 -3.142 1.00 0.00 O ATOM 375 CB LEU A 4 88.507 2.235 -0.712 1.00 0.00 C ATOM 376 CG LEU A 4 88.081 1.280 0.414 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.606 2.064 1.625 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.997 0.319 -0.050 1.00 0.00 C ATOM 0 H LEU A 4 89.937 3.335 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 4 89.278 0.569 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.345 2.835 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.684 2.922 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 4 88.954 0.690 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.308 1.372 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.414 2.700 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 4 86.754 2.684 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.720 -0.341 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.122 0.885 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 4 87.371 -0.276 -0.883 1.00 0.00 H new ATOM 390 N THR A 5 87.558 0.354 -3.646 1.00 0.00 N ATOM 391 CA THR A 5 86.481 0.178 -4.612 1.00 0.00 C ATOM 392 C THR A 5 85.136 0.492 -3.973 1.00 0.00 C ATOM 393 O THR A 5 84.840 0.006 -2.883 1.00 0.00 O ATOM 394 CB THR A 5 86.443 -1.263 -5.160 1.00 0.00 C ATOM 395 OG1 THR A 5 87.762 -1.691 -5.494 1.00 0.00 O ATOM 396 CG2 THR A 5 85.557 -1.363 -6.393 1.00 0.00 C ATOM 0 H THR A 5 88.159 -0.462 -3.531 1.00 0.00 H new ATOM 0 HA THR A 5 86.673 0.866 -5.436 1.00 0.00 H new ATOM 0 HB THR A 5 86.029 -1.905 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 5 88.204 -2.043 -4.693 1.00 0.00 H new ATOM 0 HG21 THR A 5 85.552 -2.391 -6.755 1.00 0.00 H new ATOM 0 HG22 THR A 5 84.541 -1.063 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 5 85.943 -0.706 -7.173 1.00 0.00 H new ATOM 404 N PRO A 6 84.306 1.310 -4.642 1.00 0.00 N ATOM 405 CA PRO A 6 82.972 1.676 -4.149 1.00 0.00 C ATOM 406 C PRO A 6 82.131 0.459 -3.769 1.00 0.00 C ATOM 407 O PRO A 6 81.223 0.554 -2.941 1.00 0.00 O ATOM 408 CB PRO A 6 82.346 2.405 -5.337 1.00 0.00 C ATOM 409 CG PRO A 6 83.506 2.968 -6.078 1.00 0.00 C ATOM 410 CD PRO A 6 84.613 1.965 -5.929 1.00 0.00 C ATOM 0 HA PRO A 6 83.027 2.275 -3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 6 81.768 1.724 -5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.666 3.190 -5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 6 83.260 3.126 -7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 6 83.798 3.936 -5.670 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.622 1.250 -6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 6 85.591 2.445 -5.913 1.00 0.00 H new ATOM 418 N ALA A 7 82.461 -0.689 -4.349 1.00 0.00 N ATOM 419 CA ALA A 7 81.722 -1.911 -4.077 1.00 0.00 C ATOM 420 C ALA A 7 82.040 -2.410 -2.673 1.00 0.00 C ATOM 421 O ALA A 7 81.166 -2.890 -1.953 1.00 0.00 O ATOM 422 CB ALA A 7 82.051 -2.968 -5.119 1.00 0.00 C ATOM 0 H ALA A 7 83.232 -0.797 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 7 80.654 -1.702 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.491 -3.878 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.779 -2.600 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 7 83.119 -3.185 -5.093 1.00 0.00 H new ATOM 428 N ALA A 8 83.301 -2.263 -2.287 1.00 0.00 N ATOM 429 CA ALA A 8 83.755 -2.660 -0.964 1.00 0.00 C ATOM 430 C ALA A 8 83.532 -1.529 0.031 1.00 0.00 C ATOM 431 O ALA A 8 83.276 -1.766 1.210 1.00 0.00 O ATOM 432 CB ALA A 8 85.225 -3.052 -1.009 1.00 0.00 C ATOM 0 H ALA A 8 84.032 -1.868 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 8 83.177 -3.525 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.553 -3.347 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.358 -3.887 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.818 -2.203 -1.350 1.00 0.00 H new ATOM 438 N ALA A 9 83.624 -0.297 -0.460 1.00 0.00 N ATOM 439 CA ALA A 9 83.414 0.884 0.368 1.00 0.00 C ATOM 440 C ALA A 9 82.015 0.885 0.965 1.00 0.00 C ATOM 441 O ALA A 9 81.838 1.171 2.150 1.00 0.00 O ATOM 442 CB ALA A 9 83.648 2.151 -0.443 1.00 0.00 C ATOM 0 H ALA A 9 83.844 -0.091 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 9 84.133 0.858 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 9 83.487 3.023 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.671 2.159 -0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.953 2.179 -1.283 1.00 0.00 H new ATOM 448 N GLU A 10 81.027 0.546 0.146 1.00 0.00 N ATOM 449 CA GLU A 10 79.649 0.474 0.608 1.00 0.00 C ATOM 450 C GLU A 10 79.483 -0.658 1.617 1.00 0.00 C ATOM 451 O GLU A 10 78.668 -0.571 2.530 1.00 0.00 O ATOM 452 CB GLU A 10 78.692 0.275 -0.565 1.00 0.00 C ATOM 453 CG GLU A 10 77.229 0.283 -0.152 1.00 0.00 C ATOM 454 CD GLU A 10 76.294 0.044 -1.312 1.00 0.00 C ATOM 455 OE1 GLU A 10 75.987 -1.130 -1.604 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.856 1.028 -1.942 1.00 0.00 O ATOM 0 H GLU A 10 81.155 0.317 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 10 79.406 1.419 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.860 1.062 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 10 78.920 -0.672 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.065 -0.484 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 10 76.991 1.242 0.309 1.00 0.00 H new ATOM 463 N GLN A 11 80.270 -1.717 1.457 1.00 0.00 N ATOM 464 CA GLN A 11 80.218 -2.842 2.382 1.00 0.00 C ATOM 465 C GLN A 11 80.774 -2.426 3.742 1.00 0.00 C ATOM 466 O GLN A 11 80.203 -2.751 4.783 1.00 0.00 O ATOM 467 CB GLN A 11 80.994 -4.038 1.823 1.00 0.00 C ATOM 468 CG GLN A 11 80.879 -5.295 2.675 1.00 0.00 C ATOM 469 CD GLN A 11 81.568 -6.491 2.047 1.00 0.00 C ATOM 470 OE1 GLN A 11 82.551 -6.348 1.322 1.00 0.00 O ATOM 471 NE2 GLN A 11 81.057 -7.679 2.323 1.00 0.00 N ATOM 0 H GLN A 11 80.947 -1.819 0.701 1.00 0.00 H new ATOM 0 HA GLN A 11 79.178 -3.144 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.633 -4.257 0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.046 -3.767 1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.313 -5.105 3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 11 79.826 -5.528 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 11 80.240 -7.754 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 11 81.480 -8.520 1.930 1.00 0.00 H new ATOM 480 N VAL A 12 81.880 -1.688 3.723 1.00 0.00 N ATOM 481 CA VAL A 12 82.454 -1.138 4.946 1.00 0.00 C ATOM 482 C VAL A 12 81.489 -0.132 5.570 1.00 0.00 C ATOM 483 O VAL A 12 81.276 -0.121 6.784 1.00 0.00 O ATOM 484 CB VAL A 12 83.813 -0.451 4.677 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.392 0.134 5.958 1.00 0.00 C ATOM 486 CG2 VAL A 12 84.793 -1.431 4.051 1.00 0.00 C ATOM 0 H VAL A 12 82.396 -1.457 2.874 1.00 0.00 H new ATOM 0 HA VAL A 12 82.621 -1.966 5.635 1.00 0.00 H new ATOM 0 HB VAL A 12 83.644 0.367 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.348 0.611 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.702 0.873 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.542 -0.663 6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.743 -0.929 3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 12 84.950 -2.271 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.389 -1.796 3.107 1.00 0.00 H new ATOM 496 N LEU A 13 80.892 0.697 4.721 1.00 0.00 N ATOM 497 CA LEU A 13 79.902 1.671 5.157 1.00 0.00 C ATOM 498 C LEU A 13 78.686 0.965 5.753 1.00 0.00 C ATOM 499 O LEU A 13 78.084 1.447 6.707 1.00 0.00 O ATOM 500 CB LEU A 13 79.476 2.550 3.978 1.00 0.00 C ATOM 501 CG LEU A 13 78.497 3.677 4.315 1.00 0.00 C ATOM 502 CD1 LEU A 13 79.143 4.690 5.246 1.00 0.00 C ATOM 503 CD2 LEU A 13 78.010 4.352 3.041 1.00 0.00 C ATOM 0 H LEU A 13 81.080 0.712 3.719 1.00 0.00 H new ATOM 0 HA LEU A 13 80.348 2.302 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 13 80.369 2.989 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 13 79.022 1.913 3.218 1.00 0.00 H new ATOM 0 HG LEU A 13 77.638 3.246 4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 13 78.430 5.482 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 13 79.442 4.196 6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 13 80.021 5.119 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 13 77.314 5.152 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 13 78.861 4.769 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 13 77.506 3.619 2.411 1.00 0.00 H new ATOM 515 N LYS A 14 78.343 -0.186 5.186 1.00 0.00 N ATOM 516 CA LYS A 14 77.216 -0.977 5.663 1.00 0.00 C ATOM 517 C LYS A 14 77.502 -1.531 7.058 1.00 0.00 C ATOM 518 O LYS A 14 76.605 -1.615 7.895 1.00 0.00 O ATOM 519 CB LYS A 14 76.919 -2.117 4.681 1.00 0.00 C ATOM 520 CG LYS A 14 75.647 -2.889 4.990 1.00 0.00 C ATOM 521 CD LYS A 14 75.365 -3.938 3.925 1.00 0.00 C ATOM 522 CE LYS A 14 74.077 -4.691 4.210 1.00 0.00 C ATOM 523 NZ LYS A 14 73.777 -5.704 3.163 1.00 0.00 N ATOM 0 H LYS A 14 78.833 -0.594 4.390 1.00 0.00 H new ATOM 0 HA LYS A 14 76.339 -0.333 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 14 76.845 -1.705 3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.760 -2.810 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.739 -3.371 5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.806 -2.198 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 14 75.298 -3.458 2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.196 -4.642 3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.153 -5.184 5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 14 73.251 -3.983 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 72.890 -6.194 3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.679 -5.232 2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.552 -6.396 3.117 1.00 0.00 H new ATOM 537 N ALA A 15 78.755 -1.894 7.305 1.00 0.00 N ATOM 538 CA ALA A 15 79.168 -2.372 8.622 1.00 0.00 C ATOM 539 C ALA A 15 79.030 -1.261 9.659 1.00 0.00 C ATOM 540 O ALA A 15 78.565 -1.489 10.777 1.00 0.00 O ATOM 541 CB ALA A 15 80.599 -2.886 8.576 1.00 0.00 C ATOM 0 H ALA A 15 79.503 -1.867 6.612 1.00 0.00 H new ATOM 0 HA ALA A 15 78.516 -3.196 8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 15 80.891 -3.238 9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 15 80.668 -3.708 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.265 -2.081 8.266 1.00 0.00 H new ATOM 547 N ALA A 16 79.422 -0.052 9.273 1.00 0.00 N ATOM 548 CA ALA A 16 79.266 1.109 10.139 1.00 0.00 C ATOM 549 C ALA A 16 77.792 1.465 10.278 1.00 0.00 C ATOM 550 O ALA A 16 77.343 1.918 11.330 1.00 0.00 O ATOM 551 CB ALA A 16 80.054 2.293 9.594 1.00 0.00 C ATOM 0 H ALA A 16 79.849 0.149 8.369 1.00 0.00 H new ATOM 0 HA ALA A 16 79.660 0.864 11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 16 79.925 3.151 10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.111 2.033 9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.691 2.544 8.598 1.00 0.00 H new ATOM 557 N LYS A 17 77.049 1.227 9.204 1.00 0.00 N ATOM 558 CA LYS A 17 75.613 1.474 9.164 1.00 0.00 C ATOM 559 C LYS A 17 74.881 0.621 10.197 1.00 0.00 C ATOM 560 O LYS A 17 73.845 1.031 10.724 1.00 0.00 O ATOM 561 CB LYS A 17 75.081 1.165 7.762 1.00 0.00 C ATOM 562 CG LYS A 17 73.597 1.428 7.586 1.00 0.00 C ATOM 563 CD LYS A 17 73.113 0.958 6.227 1.00 0.00 C ATOM 564 CE LYS A 17 71.650 1.294 6.015 1.00 0.00 C ATOM 565 NZ LYS A 17 71.147 0.784 4.715 1.00 0.00 N ATOM 0 H LYS A 17 77.427 0.856 8.333 1.00 0.00 H new ATOM 0 HA LYS A 17 75.435 2.523 9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.633 1.763 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.283 0.119 7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.039 0.917 8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.398 2.494 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.712 1.424 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.257 -0.119 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.059 0.868 6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.516 2.375 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.143 1.035 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.694 1.210 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.251 -0.250 4.684 1.00 0.00 H new ATOM 579 N GLN A 18 75.424 -0.561 10.478 1.00 0.00 N ATOM 580 CA GLN A 18 74.848 -1.461 11.473 1.00 0.00 C ATOM 581 C GLN A 18 74.883 -0.827 12.861 1.00 0.00 C ATOM 582 O GLN A 18 74.039 -1.119 13.710 1.00 0.00 O ATOM 583 CB GLN A 18 75.603 -2.792 11.498 1.00 0.00 C ATOM 584 CG GLN A 18 75.560 -3.555 10.183 1.00 0.00 C ATOM 585 CD GLN A 18 76.378 -4.833 10.229 1.00 0.00 C ATOM 586 OE1 GLN A 18 77.367 -4.925 10.956 1.00 0.00 O ATOM 587 NE2 GLN A 18 75.976 -5.828 9.455 1.00 0.00 N ATOM 0 H GLN A 18 76.266 -0.919 10.028 1.00 0.00 H new ATOM 0 HA GLN A 18 73.810 -1.646 11.195 1.00 0.00 H new ATOM 0 HB2 GLN A 18 76.643 -2.602 11.762 1.00 0.00 H new ATOM 0 HB3 GLN A 18 75.184 -3.420 12.284 1.00 0.00 H new ATOM 0 HG2 GLN A 18 74.525 -3.797 9.940 1.00 0.00 H new ATOM 0 HG3 GLN A 18 75.934 -2.916 9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 18 75.151 -5.715 8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 18 76.491 -6.708 9.448 1.00 0.00 H new ATOM 596 N GLY A 19 75.862 0.042 13.082 1.00 0.00 N ATOM 597 CA GLY A 19 75.985 0.717 14.357 1.00 0.00 C ATOM 598 C GLY A 19 77.243 0.321 15.104 1.00 0.00 C ATOM 599 O GLY A 19 77.771 1.104 15.894 1.00 0.00 O ATOM 0 H GLY A 19 76.575 0.291 12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.986 1.795 14.195 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.114 0.488 14.971 1.00 0.00 H new ATOM 603 N GLY A 20 77.732 -0.884 14.826 1.00 0.00 N ATOM 604 CA GLY A 20 78.895 -1.410 15.524 1.00 0.00 C ATOM 605 C GLY A 20 80.127 -0.534 15.379 1.00 0.00 C ATOM 606 O GLY A 20 80.774 -0.193 16.368 1.00 0.00 O ATOM 0 H GLY A 20 77.340 -1.511 14.124 1.00 0.00 H new ATOM 0 HA2 GLY A 20 78.657 -1.519 16.582 1.00 0.00 H new ATOM 0 HA3 GLY A 20 79.119 -2.407 15.144 1.00 0.00 H new ATOM 610 N THR A 21 80.457 -0.168 14.150 1.00 0.00 N ATOM 611 CA THR A 21 81.620 0.670 13.901 1.00 0.00 C ATOM 612 C THR A 21 81.211 2.101 13.562 1.00 0.00 C ATOM 613 O THR A 21 81.988 2.856 12.974 1.00 0.00 O ATOM 614 CB THR A 21 82.489 0.094 12.768 1.00 0.00 C ATOM 615 OG1 THR A 21 81.674 -0.220 11.633 1.00 0.00 O ATOM 616 CG2 THR A 21 83.227 -1.153 13.232 1.00 0.00 C ATOM 0 H THR A 21 79.939 -0.436 13.313 1.00 0.00 H new ATOM 0 HA THR A 21 82.207 0.685 14.819 1.00 0.00 H new ATOM 0 HB THR A 21 83.224 0.848 12.486 1.00 0.00 H new ATOM 0 HG1 THR A 21 82.236 -0.584 10.917 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.834 -1.542 12.415 1.00 0.00 H new ATOM 0 HG22 THR A 21 83.871 -0.902 14.075 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.505 -1.910 13.539 1.00 0.00 H new ATOM 624 N GLU A 22 79.999 2.478 13.952 1.00 0.00 N ATOM 625 CA GLU A 22 79.505 3.826 13.700 1.00 0.00 C ATOM 626 C GLU A 22 80.250 4.828 14.573 1.00 0.00 C ATOM 627 O GLU A 22 80.083 4.845 15.794 1.00 0.00 O ATOM 628 CB GLU A 22 78.002 3.916 13.973 1.00 0.00 C ATOM 629 CG GLU A 22 77.416 5.288 13.681 1.00 0.00 C ATOM 630 CD GLU A 22 75.971 5.409 14.110 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.077 5.104 13.296 1.00 0.00 O ATOM 632 OE2 GLU A 22 75.721 5.820 15.264 1.00 0.00 O ATOM 0 H GLU A 22 79.342 1.871 14.443 1.00 0.00 H new ATOM 0 HA GLU A 22 79.680 4.063 12.650 1.00 0.00 H new ATOM 0 HB2 GLU A 22 77.485 3.172 13.367 1.00 0.00 H new ATOM 0 HB3 GLU A 22 77.814 3.664 15.017 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.007 6.047 14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.492 5.491 12.613 1.00 0.00 H new ATOM 639 N GLY A 23 81.069 5.652 13.942 1.00 0.00 N ATOM 640 CA GLY A 23 81.877 6.602 14.674 1.00 0.00 C ATOM 641 C GLY A 23 83.342 6.234 14.641 1.00 0.00 C ATOM 642 O GLY A 23 84.201 7.004 15.069 1.00 0.00 O ATOM 0 H GLY A 23 81.189 5.680 12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.742 7.597 14.250 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.537 6.648 15.709 1.00 0.00 H new ATOM 646 N MET A 24 83.630 5.051 14.121 1.00 0.00 N ATOM 647 CA MET A 24 84.999 4.574 14.035 1.00 0.00 C ATOM 648 C MET A 24 85.587 4.921 12.675 1.00 0.00 C ATOM 649 O MET A 24 85.011 4.595 11.637 1.00 0.00 O ATOM 650 CB MET A 24 85.058 3.061 14.264 1.00 0.00 C ATOM 651 CG MET A 24 84.457 2.621 15.590 1.00 0.00 C ATOM 652 SD MET A 24 85.298 3.338 17.016 1.00 0.00 S ATOM 653 CE MET A 24 86.913 2.578 16.877 1.00 0.00 C ATOM 0 H MET A 24 82.933 4.404 13.752 1.00 0.00 H new ATOM 0 HA MET A 24 85.586 5.063 14.812 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.532 2.559 13.452 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.097 2.736 14.220 1.00 0.00 H new ATOM 0 HG2 MET A 24 83.404 2.902 15.617 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.499 1.534 15.659 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.443 2.673 17.825 1.00 0.00 H new ATOM 0 HE2 MET A 24 86.798 1.523 16.629 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.483 3.075 16.092 1.00 0.00 H new ATOM 663 N CYS A 25 86.729 5.585 12.687 1.00 0.00 N ATOM 664 CA CYS A 25 87.394 5.989 11.463 1.00 0.00 C ATOM 665 C CYS A 25 88.348 4.891 11.013 1.00 0.00 C ATOM 666 O CYS A 25 88.924 4.179 11.840 1.00 0.00 O ATOM 667 CB CYS A 25 88.152 7.301 11.689 1.00 0.00 C ATOM 668 SG CYS A 25 88.898 8.013 10.202 1.00 0.00 S ATOM 0 H CYS A 25 87.218 5.857 13.540 1.00 0.00 H new ATOM 0 HA CYS A 25 86.650 6.150 10.682 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.466 8.031 12.119 1.00 0.00 H new ATOM 0 HB3 CYS A 25 88.937 7.128 12.425 1.00 0.00 H new ATOM 0 HG CYS A 25 88.360 7.476 9.147 1.00 0.00 H new ATOM 674 N LEU A 26 88.504 4.742 9.709 1.00 0.00 N ATOM 675 CA LEU A 26 89.359 3.702 9.168 1.00 0.00 C ATOM 676 C LEU A 26 90.810 4.164 9.130 1.00 0.00 C ATOM 677 O LEU A 26 91.190 4.976 8.287 1.00 0.00 O ATOM 678 CB LEU A 26 88.894 3.309 7.763 1.00 0.00 C ATOM 679 CG LEU A 26 89.676 2.165 7.118 1.00 0.00 C ATOM 680 CD1 LEU A 26 89.501 0.880 7.915 1.00 0.00 C ATOM 681 CD2 LEU A 26 89.233 1.966 5.676 1.00 0.00 C ATOM 0 H LEU A 26 88.051 5.327 9.007 1.00 0.00 H new ATOM 0 HA LEU A 26 89.291 2.830 9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.842 3.028 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.961 4.184 7.117 1.00 0.00 H new ATOM 0 HG LEU A 26 90.734 2.426 7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 26 90.065 0.077 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.867 1.029 8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 26 88.445 0.612 7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.799 1.148 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 26 88.170 1.727 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.412 2.881 5.111 1.00 0.00 H new ATOM 693 N ARG A 27 91.611 3.660 10.057 1.00 0.00 N ATOM 694 CA ARG A 27 93.032 3.959 10.067 1.00 0.00 C ATOM 695 C ARG A 27 93.788 2.788 9.457 1.00 0.00 C ATOM 696 O ARG A 27 93.669 1.650 9.917 1.00 0.00 O ATOM 697 CB ARG A 27 93.543 4.236 11.487 1.00 0.00 C ATOM 698 CG ARG A 27 94.889 4.949 11.502 1.00 0.00 C ATOM 699 CD ARG A 27 95.503 5.014 12.895 1.00 0.00 C ATOM 700 NE ARG A 27 94.627 5.645 13.884 1.00 0.00 N ATOM 701 CZ ARG A 27 94.593 6.955 14.140 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.276 7.814 13.392 1.00 0.00 N ATOM 703 NH2 ARG A 27 93.858 7.409 15.140 1.00 0.00 N ATOM 0 H ARG A 27 91.301 3.044 10.809 1.00 0.00 H new ATOM 0 HA ARG A 27 93.201 4.861 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.810 4.842 12.020 1.00 0.00 H new ATOM 0 HB3 ARG A 27 93.630 3.293 12.027 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.576 4.434 10.830 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.764 5.961 11.117 1.00 0.00 H new ATOM 0 HD2 ARG A 27 95.745 4.004 13.226 1.00 0.00 H new ATOM 0 HD3 ARG A 27 96.441 5.566 12.846 1.00 0.00 H new ATOM 0 HE ARG A 27 93.999 5.042 14.415 1.00 0.00 H new ATOM 0 HH11 ARG A 27 95.836 7.476 12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 27 95.240 8.812 13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 27 93.319 6.759 15.713 1.00 0.00 H new ATOM 0 HH22 ARG A 27 93.829 8.409 15.339 1.00 0.00 H new ATOM 717 N LEU A 28 94.547 3.058 8.412 1.00 0.00 N ATOM 718 CA LEU A 28 95.253 2.005 7.706 1.00 0.00 C ATOM 719 C LEU A 28 96.664 1.827 8.244 1.00 0.00 C ATOM 720 O LEU A 28 97.366 2.799 8.530 1.00 0.00 O ATOM 721 CB LEU A 28 95.292 2.300 6.208 1.00 0.00 C ATOM 722 CG LEU A 28 93.928 2.334 5.519 1.00 0.00 C ATOM 723 CD1 LEU A 28 94.090 2.620 4.037 1.00 0.00 C ATOM 724 CD2 LEU A 28 93.188 1.021 5.731 1.00 0.00 C ATOM 0 H LEU A 28 94.691 3.994 8.034 1.00 0.00 H new ATOM 0 HA LEU A 28 94.711 1.074 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.783 3.261 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.909 1.545 5.721 1.00 0.00 H new ATOM 0 HG LEU A 28 93.338 3.135 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.110 2.641 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.578 3.585 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.698 1.839 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 28 92.219 1.065 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.774 0.202 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 28 93.040 0.855 6.798 1.00 0.00 H new ATOM 736 N ALA A 29 97.064 0.574 8.384 1.00 0.00 N ATOM 737 CA ALA A 29 98.391 0.235 8.862 1.00 0.00 C ATOM 738 C ALA A 29 99.023 -0.809 7.954 1.00 0.00 C ATOM 739 O ALA A 29 98.322 -1.527 7.241 1.00 0.00 O ATOM 740 CB ALA A 29 98.327 -0.273 10.296 1.00 0.00 C ATOM 0 H ALA A 29 96.479 -0.234 8.170 1.00 0.00 H new ATOM 0 HA ALA A 29 99.009 1.133 8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.331 -0.523 10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.907 0.501 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.697 -1.162 10.339 1.00 0.00 H new ATOM 746 N ALA A 30 100.342 -0.890 7.977 1.00 0.00 N ATOM 747 CA ALA A 30 101.063 -1.838 7.147 1.00 0.00 C ATOM 748 C ALA A 30 102.283 -2.368 7.880 1.00 0.00 C ATOM 749 O ALA A 30 103.034 -1.601 8.487 1.00 0.00 O ATOM 750 CB ALA A 30 101.477 -1.188 5.835 1.00 0.00 C ATOM 0 H ALA A 30 100.938 -0.307 8.565 1.00 0.00 H new ATOM 0 HA ALA A 30 100.400 -2.675 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.016 -1.912 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.589 -0.852 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 30 102.122 -0.334 6.040 1.00 0.00 H new ATOM 756 N GLY A 31 102.457 -3.675 7.848 1.00 0.00 N ATOM 757 CA GLY A 31 103.623 -4.285 8.447 1.00 0.00 C ATOM 758 C GLY A 31 104.358 -5.154 7.455 1.00 0.00 C ATOM 759 O GLY A 31 104.025 -5.164 6.268 1.00 0.00 O ATOM 0 H GLY A 31 101.807 -4.331 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 31 104.292 -3.509 8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 31 103.322 -4.885 9.306 1.00 0.00 H new ATOM 763 N ARG A 32 105.357 -5.880 7.924 1.00 0.00 N ATOM 764 CA ARG A 32 106.111 -6.772 7.062 1.00 0.00 C ATOM 765 C ARG A 32 106.328 -8.114 7.742 1.00 0.00 C ATOM 766 O ARG A 32 107.214 -8.268 8.586 1.00 0.00 O ATOM 767 CB ARG A 32 107.449 -6.148 6.659 1.00 0.00 C ATOM 768 CG ARG A 32 107.301 -4.869 5.852 1.00 0.00 C ATOM 769 CD ARG A 32 108.593 -4.489 5.148 1.00 0.00 C ATOM 770 NE ARG A 32 109.703 -4.283 6.080 1.00 0.00 N ATOM 771 CZ ARG A 32 110.052 -3.094 6.569 1.00 0.00 C ATOM 772 NH1 ARG A 32 109.325 -2.017 6.292 1.00 0.00 N ATOM 773 NH2 ARG A 32 111.127 -2.983 7.342 1.00 0.00 N ATOM 0 H ARG A 32 105.665 -5.869 8.896 1.00 0.00 H new ATOM 0 HA ARG A 32 105.530 -6.935 6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 32 108.028 -5.936 7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 32 108.018 -6.872 6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 32 106.509 -4.995 5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 32 106.995 -4.057 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 32 108.860 -5.272 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 32 108.434 -3.578 4.571 1.00 0.00 H new ATOM 0 HE ARG A 32 110.241 -5.099 6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 32 108.496 -2.099 5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 32 109.596 -1.108 6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 32 111.685 -3.808 7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 32 111.394 -2.073 7.716 1.00 0.00 H new ATOM 787 N ASN A 33 105.496 -9.075 7.382 1.00 0.00 N ATOM 788 CA ASN A 33 105.562 -10.407 7.962 1.00 0.00 C ATOM 789 C ASN A 33 106.196 -11.386 6.977 1.00 0.00 C ATOM 790 O ASN A 33 105.961 -11.305 5.771 1.00 0.00 O ATOM 791 CB ASN A 33 104.164 -10.892 8.365 1.00 0.00 C ATOM 792 CG ASN A 33 103.232 -11.049 7.179 1.00 0.00 C ATOM 793 OD1 ASN A 33 103.163 -12.113 6.564 1.00 0.00 O ATOM 794 ND2 ASN A 33 102.505 -9.996 6.850 1.00 0.00 N ATOM 0 H ASN A 33 104.761 -8.957 6.685 1.00 0.00 H new ATOM 0 HA ASN A 33 106.182 -10.359 8.857 1.00 0.00 H new ATOM 0 HB2 ASN A 33 104.251 -11.848 8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 33 103.729 -10.186 9.072 1.00 0.00 H new ATOM 0 HD21 ASN A 33 101.859 -10.048 6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 33 102.590 -9.131 7.384 1.00 0.00 H new ATOM 801 N PRO A 34 107.008 -12.325 7.488 1.00 0.00 N ATOM 802 CA PRO A 34 107.754 -13.288 6.663 1.00 0.00 C ATOM 803 C PRO A 34 106.858 -14.242 5.870 1.00 0.00 C ATOM 804 O PRO A 34 107.309 -14.865 4.908 1.00 0.00 O ATOM 805 CB PRO A 34 108.584 -14.077 7.683 1.00 0.00 C ATOM 806 CG PRO A 34 108.600 -13.232 8.909 1.00 0.00 C ATOM 807 CD PRO A 34 107.287 -12.511 8.921 1.00 0.00 C ATOM 0 HA PRO A 34 108.344 -12.771 5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 34 108.140 -15.052 7.882 1.00 0.00 H new ATOM 0 HB3 PRO A 34 109.594 -14.256 7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 34 108.720 -13.843 9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 34 109.433 -12.529 8.889 1.00 0.00 H new ATOM 0 HD2 PRO A 34 106.509 -13.095 9.413 1.00 0.00 H new ATOM 0 HD3 PRO A 34 107.352 -11.559 9.448 1.00 0.00 H new ATOM 815 N ASP A 35 105.597 -14.366 6.277 1.00 0.00 N ATOM 816 CA ASP A 35 104.657 -15.236 5.570 1.00 0.00 C ATOM 817 C ASP A 35 104.373 -14.693 4.180 1.00 0.00 C ATOM 818 O ASP A 35 104.247 -15.449 3.215 1.00 0.00 O ATOM 819 CB ASP A 35 103.343 -15.388 6.342 1.00 0.00 C ATOM 820 CG ASP A 35 103.472 -16.302 7.539 1.00 0.00 C ATOM 821 OD1 ASP A 35 103.630 -17.526 7.344 1.00 0.00 O ATOM 822 OD2 ASP A 35 103.405 -15.806 8.683 1.00 0.00 O ATOM 0 H ASP A 35 105.204 -13.881 7.084 1.00 0.00 H new ATOM 0 HA ASP A 35 105.121 -16.219 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.006 -14.406 6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.576 -15.778 5.673 1.00 0.00 H new ATOM 827 N GLY A 36 104.271 -13.380 4.084 1.00 0.00 N ATOM 828 CA GLY A 36 104.061 -12.748 2.804 1.00 0.00 C ATOM 829 C GLY A 36 105.220 -11.854 2.431 1.00 0.00 C ATOM 830 O GLY A 36 106.196 -12.307 1.836 1.00 0.00 O ATOM 0 H GLY A 36 104.330 -12.738 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 36 103.928 -13.512 2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 36 103.143 -12.162 2.833 1.00 0.00 H new ATOM 834 N SER A 37 105.111 -10.592 2.805 1.00 0.00 N ATOM 835 CA SER A 37 106.144 -9.602 2.543 1.00 0.00 C ATOM 836 C SER A 37 105.743 -8.300 3.218 1.00 0.00 C ATOM 837 O SER A 37 106.411 -7.824 4.135 1.00 0.00 O ATOM 838 CB SER A 37 106.318 -9.392 1.033 1.00 0.00 C ATOM 839 OG SER A 37 107.368 -8.484 0.751 1.00 0.00 O ATOM 0 H SER A 37 104.300 -10.222 3.301 1.00 0.00 H new ATOM 0 HA SER A 37 107.097 -9.948 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.525 -10.349 0.553 1.00 0.00 H new ATOM 0 HB3 SER A 37 105.387 -9.017 0.608 1.00 0.00 H new ATOM 0 HG SER A 37 107.454 -8.374 -0.219 1.00 0.00 H new ATOM 845 N ILE A 38 104.627 -7.750 2.764 1.00 0.00 N ATOM 846 CA ILE A 38 104.035 -6.567 3.362 1.00 0.00 C ATOM 847 C ILE A 38 102.550 -6.823 3.586 1.00 0.00 C ATOM 848 O ILE A 38 101.853 -7.270 2.674 1.00 0.00 O ATOM 849 CB ILE A 38 104.210 -5.323 2.458 1.00 0.00 C ATOM 850 CG1 ILE A 38 105.695 -5.062 2.184 1.00 0.00 C ATOM 851 CG2 ILE A 38 103.562 -4.100 3.095 1.00 0.00 C ATOM 852 CD1 ILE A 38 105.947 -3.929 1.214 1.00 0.00 C ATOM 0 H ILE A 38 104.106 -8.115 1.967 1.00 0.00 H new ATOM 0 HA ILE A 38 104.540 -6.368 4.307 1.00 0.00 H new ATOM 0 HB ILE A 38 103.713 -5.518 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 38 106.195 -4.839 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 38 106.148 -5.972 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 38 103.696 -3.236 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.497 -4.285 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 38 104.028 -3.902 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 38 107.020 -3.805 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 38 105.477 -4.158 0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 38 105.525 -3.007 1.614 1.00 0.00 H new ATOM 864 N ASP A 39 102.076 -6.581 4.795 1.00 0.00 N ATOM 865 CA ASP A 39 100.667 -6.786 5.102 1.00 0.00 C ATOM 866 C ASP A 39 99.930 -5.464 5.150 1.00 0.00 C ATOM 867 O ASP A 39 100.496 -4.431 5.506 1.00 0.00 O ATOM 868 CB ASP A 39 100.473 -7.540 6.422 1.00 0.00 C ATOM 869 CG ASP A 39 101.231 -6.927 7.580 1.00 0.00 C ATOM 870 OD1 ASP A 39 100.753 -5.921 8.147 1.00 0.00 O ATOM 871 OD2 ASP A 39 102.305 -7.464 7.932 1.00 0.00 O ATOM 0 H ASP A 39 102.639 -6.245 5.577 1.00 0.00 H new ATOM 0 HA ASP A 39 100.252 -7.398 4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 39 99.411 -7.565 6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 39 100.795 -8.573 6.293 1.00 0.00 H new ATOM 876 N TYR A 40 98.667 -5.508 4.772 1.00 0.00 N ATOM 877 CA TYR A 40 97.826 -4.330 4.760 1.00 0.00 C ATOM 878 C TYR A 40 96.702 -4.499 5.768 1.00 0.00 C ATOM 879 O TYR A 40 95.773 -5.279 5.559 1.00 0.00 O ATOM 880 CB TYR A 40 97.266 -4.093 3.357 1.00 0.00 C ATOM 881 CG TYR A 40 98.332 -3.789 2.328 1.00 0.00 C ATOM 882 CD1 TYR A 40 99.103 -4.802 1.769 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.578 -2.485 1.927 1.00 0.00 C ATOM 884 CE1 TYR A 40 100.085 -4.521 0.840 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.559 -2.195 1.003 1.00 0.00 C ATOM 886 CZ TYR A 40 100.310 -3.214 0.460 1.00 0.00 C ATOM 887 OH TYR A 40 101.295 -2.924 -0.457 1.00 0.00 O ATOM 0 H TYR A 40 98.197 -6.360 4.466 1.00 0.00 H new ATOM 0 HA TYR A 40 98.420 -3.459 5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.709 -4.976 3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.558 -3.265 3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 40 98.931 -5.826 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.990 -1.682 2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 40 100.674 -5.320 0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.738 -1.172 0.706 1.00 0.00 H new ATOM 0 HH TYR A 40 101.676 -2.043 -0.260 1.00 0.00 H new ATOM 897 N ARG A 41 96.810 -3.784 6.870 1.00 0.00 N ATOM 898 CA ARG A 41 95.867 -3.919 7.965 1.00 0.00 C ATOM 899 C ARG A 41 94.889 -2.751 7.995 1.00 0.00 C ATOM 900 O ARG A 41 95.288 -1.587 7.961 1.00 0.00 O ATOM 901 CB ARG A 41 96.620 -4.014 9.291 1.00 0.00 C ATOM 902 CG ARG A 41 97.294 -5.359 9.516 1.00 0.00 C ATOM 903 CD ARG A 41 98.292 -5.289 10.658 1.00 0.00 C ATOM 904 NE ARG A 41 98.580 -6.603 11.233 1.00 0.00 N ATOM 905 CZ ARG A 41 99.809 -7.088 11.408 1.00 0.00 C ATOM 906 NH1 ARG A 41 100.850 -6.495 10.835 1.00 0.00 N ATOM 907 NH2 ARG A 41 99.996 -8.199 12.106 1.00 0.00 N ATOM 0 H ARG A 41 97.547 -3.098 7.032 1.00 0.00 H new ATOM 0 HA ARG A 41 95.293 -4.833 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 41 97.375 -3.229 9.327 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.924 -3.825 10.108 1.00 0.00 H new ATOM 0 HG2 ARG A 41 96.540 -6.115 9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 41 97.803 -5.671 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 41 99.219 -4.842 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 41 97.903 -4.633 11.437 1.00 0.00 H new ATOM 0 HE ARG A 41 97.791 -7.184 11.518 1.00 0.00 H new ATOM 0 HH11 ARG A 41 100.711 -5.665 10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 41 101.789 -6.869 10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 41 99.197 -8.687 12.512 1.00 0.00 H new ATOM 0 HH22 ARG A 41 100.938 -8.566 12.237 1.00 0.00 H new ATOM 921 N MET A 42 93.610 -3.076 8.049 1.00 0.00 N ATOM 922 CA MET A 42 92.560 -2.074 8.131 1.00 0.00 C ATOM 923 C MET A 42 91.983 -2.062 9.537 1.00 0.00 C ATOM 924 O MET A 42 91.308 -3.009 9.941 1.00 0.00 O ATOM 925 CB MET A 42 91.455 -2.372 7.117 1.00 0.00 C ATOM 926 CG MET A 42 91.932 -2.453 5.679 1.00 0.00 C ATOM 927 SD MET A 42 90.638 -3.023 4.559 1.00 0.00 S ATOM 928 CE MET A 42 89.348 -1.821 4.880 1.00 0.00 C ATOM 0 H MET A 42 93.270 -4.037 8.037 1.00 0.00 H new ATOM 0 HA MET A 42 92.984 -1.096 7.902 1.00 0.00 H new ATOM 0 HB2 MET A 42 90.979 -3.316 7.383 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.692 -1.598 7.191 1.00 0.00 H new ATOM 0 HG2 MET A 42 92.280 -1.471 5.358 1.00 0.00 H new ATOM 0 HG3 MET A 42 92.785 -3.129 5.619 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.841 -1.574 3.947 1.00 0.00 H new ATOM 0 HE2 MET A 42 88.629 -2.239 5.585 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.789 -0.919 5.304 1.00 0.00 H new ATOM 938 N GLY A 43 92.266 -1.013 10.290 1.00 0.00 N ATOM 939 CA GLY A 43 91.819 -0.955 11.662 1.00 0.00 C ATOM 940 C GLY A 43 90.873 0.197 11.919 1.00 0.00 C ATOM 941 O GLY A 43 91.077 1.303 11.419 1.00 0.00 O ATOM 0 H GLY A 43 92.797 -0.201 9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 43 91.323 -1.891 11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 43 92.684 -0.863 12.318 1.00 0.00 H new ATOM 945 N PHE A 44 89.831 -0.063 12.689 1.00 0.00 N ATOM 946 CA PHE A 44 88.896 0.981 13.076 1.00 0.00 C ATOM 947 C PHE A 44 89.392 1.677 14.335 1.00 0.00 C ATOM 948 O PHE A 44 89.565 1.046 15.378 1.00 0.00 O ATOM 949 CB PHE A 44 87.498 0.399 13.299 1.00 0.00 C ATOM 950 CG PHE A 44 86.855 -0.114 12.042 1.00 0.00 C ATOM 951 CD1 PHE A 44 86.195 0.753 11.186 1.00 0.00 C ATOM 952 CD2 PHE A 44 86.910 -1.461 11.716 1.00 0.00 C ATOM 953 CE1 PHE A 44 85.601 0.288 10.028 1.00 0.00 C ATOM 954 CE2 PHE A 44 86.317 -1.932 10.560 1.00 0.00 C ATOM 955 CZ PHE A 44 85.662 -1.056 9.714 1.00 0.00 C ATOM 0 H PHE A 44 89.610 -0.988 13.059 1.00 0.00 H new ATOM 0 HA PHE A 44 88.832 1.712 12.270 1.00 0.00 H new ATOM 0 HB2 PHE A 44 87.563 -0.414 14.022 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.859 1.166 13.737 1.00 0.00 H new ATOM 0 HD1 PHE A 44 86.144 1.805 11.427 1.00 0.00 H new ATOM 0 HD2 PHE A 44 87.422 -2.149 12.373 1.00 0.00 H new ATOM 0 HE1 PHE A 44 85.090 0.974 9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 44 86.365 -2.983 10.318 1.00 0.00 H new ATOM 0 HZ PHE A 44 85.199 -1.422 8.809 1.00 0.00 H new ATOM 965 N ASP A 45 89.629 2.971 14.225 1.00 0.00 N ATOM 966 CA ASP A 45 90.182 3.748 15.324 1.00 0.00 C ATOM 967 C ASP A 45 89.581 5.153 15.293 1.00 0.00 C ATOM 968 O ASP A 45 88.560 5.369 14.642 1.00 0.00 O ATOM 969 CB ASP A 45 91.710 3.785 15.206 1.00 0.00 C ATOM 970 CG ASP A 45 92.388 4.211 16.489 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.234 3.511 17.509 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.067 5.252 16.483 1.00 0.00 O ATOM 0 H ASP A 45 89.446 3.512 13.380 1.00 0.00 H new ATOM 0 HA ASP A 45 89.931 3.289 16.280 1.00 0.00 H new ATOM 0 HB2 ASP A 45 92.072 2.797 14.920 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.991 4.471 14.407 1.00 0.00 H new ATOM 977 N ASP A 46 90.179 6.100 16.000 1.00 0.00 N ATOM 978 CA ASP A 46 89.665 7.463 16.002 1.00 0.00 C ATOM 979 C ASP A 46 90.207 8.228 14.801 1.00 0.00 C ATOM 980 O ASP A 46 91.096 7.749 14.097 1.00 0.00 O ATOM 981 CB ASP A 46 90.019 8.193 17.305 1.00 0.00 C ATOM 982 CG ASP A 46 91.466 8.642 17.370 1.00 0.00 C ATOM 983 OD1 ASP A 46 92.346 7.797 17.618 1.00 0.00 O ATOM 984 OD2 ASP A 46 91.725 9.852 17.202 1.00 0.00 O ATOM 0 H ASP A 46 91.010 5.954 16.573 1.00 0.00 H new ATOM 0 HA ASP A 46 88.578 7.414 15.933 1.00 0.00 H new ATOM 0 HB2 ASP A 46 89.371 9.063 17.413 1.00 0.00 H new ATOM 0 HB3 ASP A 46 89.812 7.535 18.149 1.00 0.00 H new ATOM 989 N LEU A 47 89.661 9.407 14.563 1.00 0.00 N ATOM 990 CA LEU A 47 90.066 10.217 13.429 1.00 0.00 C ATOM 991 C LEU A 47 91.135 11.209 13.864 1.00 0.00 C ATOM 992 O LEU A 47 90.882 12.083 14.696 1.00 0.00 O ATOM 993 CB LEU A 47 88.844 10.945 12.843 1.00 0.00 C ATOM 994 CG LEU A 47 89.022 11.567 11.449 1.00 0.00 C ATOM 995 CD1 LEU A 47 87.665 11.873 10.839 1.00 0.00 C ATOM 996 CD2 LEU A 47 89.854 12.840 11.506 1.00 0.00 C ATOM 0 H LEU A 47 88.933 9.826 15.142 1.00 0.00 H new ATOM 0 HA LEU A 47 90.485 9.576 12.653 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.015 10.239 12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 47 88.553 11.735 13.535 1.00 0.00 H new ATOM 0 HG LEU A 47 89.551 10.843 10.829 1.00 0.00 H new ATOM 0 HD11 LEU A 47 87.801 12.314 9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 47 87.090 10.951 10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 47 87.129 12.574 11.478 1.00 0.00 H new ATOM 0 HD21 LEU A 47 89.959 13.252 10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 47 89.359 13.569 12.147 1.00 0.00 H new ATOM 0 HD23 LEU A 47 90.841 12.612 11.909 1.00 0.00 H new ATOM 1008 N THR A 48 92.328 11.057 13.315 1.00 0.00 N ATOM 1009 CA THR A 48 93.420 11.974 13.588 1.00 0.00 C ATOM 1010 C THR A 48 93.642 12.888 12.389 1.00 0.00 C ATOM 1011 O THR A 48 93.849 12.413 11.271 1.00 0.00 O ATOM 1012 CB THR A 48 94.720 11.208 13.897 1.00 0.00 C ATOM 1013 OG1 THR A 48 94.453 10.156 14.833 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.777 12.136 14.473 1.00 0.00 C ATOM 0 H THR A 48 92.565 10.301 12.673 1.00 0.00 H new ATOM 0 HA THR A 48 93.152 12.570 14.460 1.00 0.00 H new ATOM 0 HB THR A 48 95.096 10.788 12.964 1.00 0.00 H new ATOM 0 HG1 THR A 48 95.289 9.883 15.265 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.684 11.569 14.682 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.999 12.925 13.754 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.406 12.581 15.397 1.00 0.00 H new ATOM 1022 N GLU A 49 93.586 14.195 12.616 1.00 0.00 N ATOM 1023 CA GLU A 49 93.761 15.163 11.540 1.00 0.00 C ATOM 1024 C GLU A 49 95.200 15.163 11.036 1.00 0.00 C ATOM 1025 O GLU A 49 95.459 15.496 9.878 1.00 0.00 O ATOM 1026 CB GLU A 49 93.382 16.577 11.991 1.00 0.00 C ATOM 1027 CG GLU A 49 91.942 16.721 12.452 1.00 0.00 C ATOM 1028 CD GLU A 49 91.761 16.397 13.919 1.00 0.00 C ATOM 1029 OE1 GLU A 49 91.942 17.304 14.756 1.00 0.00 O ATOM 1030 OE2 GLU A 49 91.433 15.245 14.248 1.00 0.00 O ATOM 0 H GLU A 49 93.421 14.608 13.534 1.00 0.00 H new ATOM 0 HA GLU A 49 93.096 14.864 10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 49 94.043 16.876 12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 49 93.558 17.268 11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 49 91.606 17.741 12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 49 91.308 16.063 11.858 1.00 0.00 H new ATOM 1037 N ASP A 50 96.128 14.798 11.913 1.00 0.00 N ATOM 1038 CA ASP A 50 97.545 14.745 11.562 1.00 0.00 C ATOM 1039 C ASP A 50 97.808 13.647 10.535 1.00 0.00 C ATOM 1040 O ASP A 50 98.701 13.765 9.697 1.00 0.00 O ATOM 1041 CB ASP A 50 98.391 14.503 12.814 1.00 0.00 C ATOM 1042 CG ASP A 50 99.867 14.749 12.574 1.00 0.00 C ATOM 1043 OD1 ASP A 50 100.290 15.921 12.632 1.00 0.00 O ATOM 1044 OD2 ASP A 50 100.616 13.777 12.341 1.00 0.00 O ATOM 0 H ASP A 50 95.925 14.533 12.877 1.00 0.00 H new ATOM 0 HA ASP A 50 97.824 15.703 11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.043 15.155 13.615 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.247 13.477 13.153 1.00 0.00 H new ATOM 1049 N ASP A 51 97.015 12.584 10.602 1.00 0.00 N ATOM 1050 CA ASP A 51 97.121 11.475 9.658 1.00 0.00 C ATOM 1051 C ASP A 51 96.656 11.916 8.275 1.00 0.00 C ATOM 1052 O ASP A 51 95.886 12.869 8.143 1.00 0.00 O ATOM 1053 CB ASP A 51 96.283 10.275 10.123 1.00 0.00 C ATOM 1054 CG ASP A 51 96.878 9.551 11.317 1.00 0.00 C ATOM 1055 OD1 ASP A 51 97.260 10.217 12.301 1.00 0.00 O ATOM 1056 OD2 ASP A 51 96.931 8.302 11.294 1.00 0.00 O ATOM 0 H ASP A 51 96.286 12.465 11.305 1.00 0.00 H new ATOM 0 HA ASP A 51 98.167 11.172 9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.281 10.618 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.178 9.572 9.296 1.00 0.00 H new ATOM 1061 N ILE A 52 97.123 11.221 7.246 1.00 0.00 N ATOM 1062 CA ILE A 52 96.773 11.560 5.874 1.00 0.00 C ATOM 1063 C ILE A 52 95.302 11.257 5.606 1.00 0.00 C ATOM 1064 O ILE A 52 94.851 10.121 5.757 1.00 0.00 O ATOM 1065 CB ILE A 52 97.671 10.813 4.863 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.131 11.219 5.077 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.233 11.103 3.431 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.105 10.534 4.145 1.00 0.00 C ATOM 0 H ILE A 52 97.746 10.418 7.336 1.00 0.00 H new ATOM 0 HA ILE A 52 96.940 12.629 5.743 1.00 0.00 H new ATOM 0 HB ILE A 52 97.573 9.740 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.219 12.298 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.412 10.996 6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.880 10.566 2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.202 10.777 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.304 12.174 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.117 10.876 4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.048 9.455 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.853 10.777 3.113 1.00 0.00 H new ATOM 1080 N ARG A 53 94.564 12.289 5.224 1.00 0.00 N ATOM 1081 CA ARG A 53 93.123 12.188 5.041 1.00 0.00 C ATOM 1082 C ARG A 53 92.772 11.685 3.646 1.00 0.00 C ATOM 1083 O ARG A 53 93.153 12.295 2.644 1.00 0.00 O ATOM 1084 CB ARG A 53 92.478 13.556 5.263 1.00 0.00 C ATOM 1085 CG ARG A 53 92.813 14.182 6.608 1.00 0.00 C ATOM 1086 CD ARG A 53 92.099 13.486 7.756 1.00 0.00 C ATOM 1087 NE ARG A 53 90.647 13.637 7.667 1.00 0.00 N ATOM 1088 CZ ARG A 53 89.960 14.632 8.232 1.00 0.00 C ATOM 1089 NH1 ARG A 53 90.597 15.606 8.877 1.00 0.00 N ATOM 1090 NH2 ARG A 53 88.639 14.670 8.120 1.00 0.00 N ATOM 0 H ARG A 53 94.945 13.216 5.033 1.00 0.00 H new ATOM 0 HA ARG A 53 92.742 11.472 5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.797 14.231 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.396 13.455 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 53 93.890 14.137 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 53 92.537 15.236 6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 53 92.355 12.426 7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 53 92.449 13.896 8.703 1.00 0.00 H new ATOM 0 HE ARG A 53 90.126 12.937 7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 53 91.615 15.594 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 53 90.067 16.364 9.307 1.00 0.00 H new ATOM 0 HH21 ARG A 53 88.150 13.940 7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 53 88.112 15.430 8.551 1.00 0.00 H new ATOM 1104 N LEU A 54 92.057 10.571 3.590 1.00 0.00 N ATOM 1105 CA LEU A 54 91.544 10.045 2.334 1.00 0.00 C ATOM 1106 C LEU A 54 90.038 9.842 2.429 1.00 0.00 C ATOM 1107 O LEU A 54 89.566 8.868 3.013 1.00 0.00 O ATOM 1108 CB LEU A 54 92.223 8.718 1.971 1.00 0.00 C ATOM 1109 CG LEU A 54 93.706 8.813 1.600 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.247 7.436 1.255 1.00 0.00 C ATOM 1111 CD2 LEU A 54 93.906 9.766 0.432 1.00 0.00 C ATOM 0 H LEU A 54 91.818 10.010 4.407 1.00 0.00 H new ATOM 0 HA LEU A 54 91.765 10.770 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 54 92.121 8.036 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 54 91.685 8.272 1.134 1.00 0.00 H new ATOM 0 HG LEU A 54 94.254 9.202 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.302 7.515 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.135 6.775 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.692 7.029 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 54 94.966 9.820 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.349 9.404 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 54 93.547 10.758 0.706 1.00 0.00 H new ATOM 1123 N THR A 55 89.286 10.774 1.874 1.00 0.00 N ATOM 1124 CA THR A 55 87.837 10.699 1.914 1.00 0.00 C ATOM 1125 C THR A 55 87.298 9.986 0.678 1.00 0.00 C ATOM 1126 O THR A 55 87.504 10.434 -0.451 1.00 0.00 O ATOM 1127 CB THR A 55 87.218 12.105 2.010 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.829 12.827 3.084 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.717 12.027 2.242 1.00 0.00 C ATOM 0 H THR A 55 89.655 11.593 1.390 1.00 0.00 H new ATOM 0 HA THR A 55 87.559 10.130 2.801 1.00 0.00 H new ATOM 0 HB THR A 55 87.395 12.621 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 55 88.093 12.201 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.306 13.034 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.248 11.495 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.520 11.495 3.173 1.00 0.00 H new ATOM 1137 N SER A 56 86.625 8.868 0.900 1.00 0.00 N ATOM 1138 CA SER A 56 85.995 8.133 -0.182 1.00 0.00 C ATOM 1139 C SER A 56 84.569 8.643 -0.384 1.00 0.00 C ATOM 1140 O SER A 56 84.289 9.820 -0.145 1.00 0.00 O ATOM 1141 CB SER A 56 85.999 6.634 0.135 1.00 0.00 C ATOM 1142 OG SER A 56 85.314 6.368 1.344 1.00 0.00 O ATOM 0 H SER A 56 86.502 8.450 1.822 1.00 0.00 H new ATOM 0 HA SER A 56 86.554 8.289 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 56 85.529 6.085 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 56 87.026 6.277 0.209 1.00 0.00 H new ATOM 0 HG SER A 56 85.859 6.668 2.101 1.00 0.00 H new ATOM 1148 N GLU A 57 83.672 7.767 -0.826 1.00 0.00 N ATOM 1149 CA GLU A 57 82.278 8.142 -1.025 1.00 0.00 C ATOM 1150 C GLU A 57 81.635 8.532 0.300 1.00 0.00 C ATOM 1151 O GLU A 57 80.996 9.581 0.413 1.00 0.00 O ATOM 1152 CB GLU A 57 81.496 6.995 -1.664 1.00 0.00 C ATOM 1153 CG GLU A 57 82.084 6.508 -2.979 1.00 0.00 C ATOM 1154 CD GLU A 57 81.183 5.516 -3.681 1.00 0.00 C ATOM 1155 OE1 GLU A 57 80.996 4.402 -3.155 1.00 0.00 O ATOM 1156 OE2 GLU A 57 80.653 5.848 -4.762 1.00 0.00 O ATOM 0 H GLU A 57 83.885 6.796 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 57 82.252 9.000 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 57 81.456 6.161 -0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 57 80.469 7.318 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 57 82.260 7.362 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.053 6.045 -2.791 1.00 0.00 H new ATOM 1163 N GLY A 58 81.822 7.688 1.302 1.00 0.00 N ATOM 1164 CA GLY A 58 81.252 7.951 2.608 1.00 0.00 C ATOM 1165 C GLY A 58 82.115 7.433 3.740 1.00 0.00 C ATOM 1166 O GLY A 58 81.699 7.440 4.896 1.00 0.00 O ATOM 0 H GLY A 58 82.359 6.824 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.110 9.025 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 58 80.266 7.490 2.669 1.00 0.00 H new ATOM 1170 N VAL A 59 83.321 6.982 3.416 1.00 0.00 N ATOM 1171 CA VAL A 59 84.226 6.451 4.425 1.00 0.00 C ATOM 1172 C VAL A 59 85.456 7.341 4.563 1.00 0.00 C ATOM 1173 O VAL A 59 86.220 7.515 3.606 1.00 0.00 O ATOM 1174 CB VAL A 59 84.671 5.007 4.091 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.576 4.451 5.184 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.463 4.101 3.886 1.00 0.00 C ATOM 0 H VAL A 59 83.693 6.974 2.466 1.00 0.00 H new ATOM 0 HA VAL A 59 83.681 6.433 5.369 1.00 0.00 H new ATOM 0 HB VAL A 59 85.238 5.038 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.876 3.435 4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.463 5.078 5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.038 4.441 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 59 83.801 3.091 3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 59 82.864 4.082 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 59 82.859 4.481 3.062 1.00 0.00 H new ATOM 1186 N GLU A 60 85.627 7.918 5.743 1.00 0.00 N ATOM 1187 CA GLU A 60 86.789 8.747 6.032 1.00 0.00 C ATOM 1188 C GLU A 60 87.968 7.865 6.426 1.00 0.00 C ATOM 1189 O GLU A 60 87.923 7.165 7.444 1.00 0.00 O ATOM 1190 CB GLU A 60 86.474 9.732 7.162 1.00 0.00 C ATOM 1191 CG GLU A 60 87.603 10.705 7.466 1.00 0.00 C ATOM 1192 CD GLU A 60 87.684 11.855 6.480 1.00 0.00 C ATOM 1193 OE1 GLU A 60 88.359 11.718 5.440 1.00 0.00 O ATOM 1194 OE2 GLU A 60 87.088 12.917 6.759 1.00 0.00 O ATOM 0 H GLU A 60 84.972 7.827 6.520 1.00 0.00 H new ATOM 0 HA GLU A 60 87.047 9.313 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.581 10.298 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.239 9.170 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 60 87.468 11.105 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.550 10.165 7.463 1.00 0.00 H new ATOM 1201 N ILE A 61 89.010 7.887 5.613 1.00 0.00 N ATOM 1202 CA ILE A 61 90.192 7.077 5.862 1.00 0.00 C ATOM 1203 C ILE A 61 91.339 7.951 6.354 1.00 0.00 C ATOM 1204 O ILE A 61 91.585 9.026 5.808 1.00 0.00 O ATOM 1205 CB ILE A 61 90.639 6.334 4.582 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.467 5.556 3.979 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.801 5.397 4.886 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.787 4.919 2.644 1.00 0.00 C ATOM 0 H ILE A 61 89.062 8.460 4.771 1.00 0.00 H new ATOM 0 HA ILE A 61 89.933 6.343 6.625 1.00 0.00 H new ATOM 0 HB ILE A 61 90.975 7.073 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.159 4.779 4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.619 6.230 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.102 4.883 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.642 5.973 5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.492 4.664 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 61 88.911 4.385 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.066 5.693 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 61 90.615 4.220 2.764 1.00 0.00 H new ATOM 1220 N VAL A 62 92.024 7.496 7.389 1.00 0.00 N ATOM 1221 CA VAL A 62 93.201 8.189 7.887 1.00 0.00 C ATOM 1222 C VAL A 62 94.416 7.270 7.840 1.00 0.00 C ATOM 1223 O VAL A 62 94.379 6.141 8.335 1.00 0.00 O ATOM 1224 CB VAL A 62 93.002 8.734 9.324 1.00 0.00 C ATOM 1225 CG1 VAL A 62 92.028 9.901 9.321 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.518 7.643 10.269 1.00 0.00 C ATOM 0 H VAL A 62 91.785 6.648 7.902 1.00 0.00 H new ATOM 0 HA VAL A 62 93.367 9.046 7.235 1.00 0.00 H new ATOM 0 HB VAL A 62 93.970 9.084 9.683 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.900 10.271 10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.419 10.700 8.691 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.065 9.570 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.388 8.058 11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.566 7.250 9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 62 93.253 6.839 10.303 1.00 0.00 H new ATOM 1236 N ILE A 63 95.477 7.738 7.207 1.00 0.00 N ATOM 1237 CA ILE A 63 96.693 6.953 7.091 1.00 0.00 C ATOM 1238 C ILE A 63 97.859 7.654 7.772 1.00 0.00 C ATOM 1239 O ILE A 63 98.237 8.762 7.394 1.00 0.00 O ATOM 1240 CB ILE A 63 97.059 6.680 5.617 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.949 5.876 4.933 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.390 5.946 5.525 1.00 0.00 C ATOM 1243 CD1 ILE A 63 96.239 5.548 3.485 1.00 0.00 C ATOM 0 H ILE A 63 95.521 8.657 6.766 1.00 0.00 H new ATOM 0 HA ILE A 63 96.501 6.001 7.585 1.00 0.00 H new ATOM 0 HB ILE A 63 97.160 7.635 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.794 4.948 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 63 95.017 6.439 4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.632 5.762 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.173 6.555 5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.319 4.995 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.409 4.978 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.364 6.472 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 63 97.153 4.957 3.422 1.00 0.00 H new ATOM 1255 N ALA A 64 98.416 7.008 8.782 1.00 0.00 N ATOM 1256 CA ALA A 64 99.583 7.533 9.466 1.00 0.00 C ATOM 1257 C ALA A 64 100.784 7.533 8.527 1.00 0.00 C ATOM 1258 O ALA A 64 100.985 6.579 7.767 1.00 0.00 O ATOM 1259 CB ALA A 64 99.876 6.715 10.714 1.00 0.00 C ATOM 0 H ALA A 64 98.077 6.117 9.146 1.00 0.00 H new ATOM 0 HA ALA A 64 99.382 8.560 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.754 7.120 11.217 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.020 6.759 11.387 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.065 5.679 10.434 1.00 0.00 H new ATOM 1265 N PRO A 65 101.592 8.608 8.559 1.00 0.00 N ATOM 1266 CA PRO A 65 102.784 8.747 7.707 1.00 0.00 C ATOM 1267 C PRO A 65 103.734 7.553 7.809 1.00 0.00 C ATOM 1268 O PRO A 65 104.553 7.323 6.919 1.00 0.00 O ATOM 1269 CB PRO A 65 103.458 10.011 8.243 1.00 0.00 C ATOM 1270 CG PRO A 65 102.352 10.797 8.855 1.00 0.00 C ATOM 1271 CD PRO A 65 101.394 9.788 9.422 1.00 0.00 C ATOM 0 HA PRO A 65 102.517 8.799 6.651 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.226 9.769 8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.946 10.569 7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.728 11.459 9.635 1.00 0.00 H new ATOM 0 HG3 PRO A 65 101.862 11.426 8.112 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.616 9.565 10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.365 10.145 9.385 1.00 0.00 H new ATOM 1279 N ASP A 66 103.618 6.800 8.894 1.00 0.00 N ATOM 1280 CA ASP A 66 104.409 5.589 9.088 1.00 0.00 C ATOM 1281 C ASP A 66 104.113 4.561 8.002 1.00 0.00 C ATOM 1282 O ASP A 66 105.022 3.943 7.448 1.00 0.00 O ATOM 1283 CB ASP A 66 104.099 4.948 10.445 1.00 0.00 C ATOM 1284 CG ASP A 66 104.378 5.857 11.618 1.00 0.00 C ATOM 1285 OD1 ASP A 66 103.516 6.704 11.932 1.00 0.00 O ATOM 1286 OD2 ASP A 66 105.452 5.716 12.240 1.00 0.00 O ATOM 0 H ASP A 66 102.978 7.008 9.661 1.00 0.00 H new ATOM 0 HA ASP A 66 105.458 5.883 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 66 103.050 4.651 10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 66 104.690 4.038 10.552 1.00 0.00 H new ATOM 1291 N TYR A 67 102.833 4.401 7.690 1.00 0.00 N ATOM 1292 CA TYR A 67 102.381 3.277 6.880 1.00 0.00 C ATOM 1293 C TYR A 67 102.101 3.684 5.439 1.00 0.00 C ATOM 1294 O TYR A 67 102.047 2.831 4.553 1.00 0.00 O ATOM 1295 CB TYR A 67 101.122 2.673 7.503 1.00 0.00 C ATOM 1296 CG TYR A 67 101.260 2.413 8.987 1.00 0.00 C ATOM 1297 CD1 TYR A 67 102.034 1.363 9.459 1.00 0.00 C ATOM 1298 CD2 TYR A 67 100.621 3.227 9.913 1.00 0.00 C ATOM 1299 CE1 TYR A 67 102.169 1.131 10.814 1.00 0.00 C ATOM 1300 CE2 TYR A 67 100.750 3.000 11.269 1.00 0.00 C ATOM 1301 CZ TYR A 67 101.524 1.951 11.713 1.00 0.00 C ATOM 1302 OH TYR A 67 101.664 1.725 13.063 1.00 0.00 O ATOM 0 H TYR A 67 102.090 5.035 7.985 1.00 0.00 H new ATOM 0 HA TYR A 67 103.182 2.538 6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.282 3.347 7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.886 1.737 6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.539 0.717 8.756 1.00 0.00 H new ATOM 0 HD2 TYR A 67 100.014 4.050 9.567 1.00 0.00 H new ATOM 0 HE1 TYR A 67 102.777 0.311 11.166 1.00 0.00 H new ATOM 0 HE2 TYR A 67 100.247 3.641 11.977 1.00 0.00 H new ATOM 0 HH TYR A 67 101.147 2.391 13.562 1.00 0.00 H new ATOM 1312 N VAL A 68 101.937 4.982 5.203 1.00 0.00 N ATOM 1313 CA VAL A 68 101.612 5.487 3.866 1.00 0.00 C ATOM 1314 C VAL A 68 102.648 5.035 2.832 1.00 0.00 C ATOM 1315 O VAL A 68 102.325 4.826 1.662 1.00 0.00 O ATOM 1316 CB VAL A 68 101.504 7.031 3.854 1.00 0.00 C ATOM 1317 CG1 VAL A 68 102.840 7.679 4.180 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.984 7.525 2.514 1.00 0.00 C ATOM 0 H VAL A 68 102.023 5.705 5.917 1.00 0.00 H new ATOM 0 HA VAL A 68 100.642 5.068 3.597 1.00 0.00 H new ATOM 0 HB VAL A 68 100.793 7.320 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 68 102.732 8.764 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 68 103.166 7.362 5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 68 103.581 7.377 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.916 8.613 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 68 101.666 7.214 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 68 99.996 7.102 2.329 1.00 0.00 H new ATOM 1328 N SER A 69 103.879 4.842 3.291 1.00 0.00 N ATOM 1329 CA SER A 69 104.989 4.471 2.427 1.00 0.00 C ATOM 1330 C SER A 69 104.805 3.071 1.825 1.00 0.00 C ATOM 1331 O SER A 69 105.518 2.691 0.898 1.00 0.00 O ATOM 1332 CB SER A 69 106.290 4.526 3.230 1.00 0.00 C ATOM 1333 OG SER A 69 106.375 5.737 3.967 1.00 0.00 O ATOM 0 H SER A 69 104.134 4.939 4.274 1.00 0.00 H new ATOM 0 HA SER A 69 105.026 5.179 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.339 3.676 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 69 107.143 4.444 2.556 1.00 0.00 H new ATOM 0 HG SER A 69 107.213 5.753 4.475 1.00 0.00 H new ATOM 1339 N LEU A 70 103.851 2.307 2.349 1.00 0.00 N ATOM 1340 CA LEU A 70 103.628 0.945 1.877 1.00 0.00 C ATOM 1341 C LEU A 70 102.213 0.765 1.331 1.00 0.00 C ATOM 1342 O LEU A 70 101.918 -0.233 0.679 1.00 0.00 O ATOM 1343 CB LEU A 70 103.866 -0.051 3.017 1.00 0.00 C ATOM 1344 CG LEU A 70 105.266 -0.020 3.640 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.333 -0.952 4.840 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.321 -0.399 2.611 1.00 0.00 C ATOM 0 H LEU A 70 103.224 2.606 3.096 1.00 0.00 H new ATOM 0 HA LEU A 70 104.333 0.756 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.134 0.140 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.676 -1.057 2.643 1.00 0.00 H new ATOM 0 HG LEU A 70 105.469 0.996 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.334 -0.919 5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.605 -0.636 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 70 105.108 -1.970 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.307 -0.371 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 70 106.123 -1.405 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.289 0.307 1.781 1.00 0.00 H new ATOM 1358 N LEU A 71 101.348 1.742 1.581 1.00 0.00 N ATOM 1359 CA LEU A 71 99.924 1.597 1.279 1.00 0.00 C ATOM 1360 C LEU A 71 99.549 2.186 -0.079 1.00 0.00 C ATOM 1361 O LEU A 71 98.467 1.916 -0.603 1.00 0.00 O ATOM 1362 CB LEU A 71 99.088 2.268 2.371 1.00 0.00 C ATOM 1363 CG LEU A 71 99.242 1.674 3.773 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.499 2.517 4.792 1.00 0.00 C ATOM 1365 CD2 LEU A 71 98.733 0.243 3.805 1.00 0.00 C ATOM 0 H LEU A 71 101.604 2.640 1.990 1.00 0.00 H new ATOM 0 HA LEU A 71 99.714 0.528 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.354 3.324 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 71 98.037 2.214 2.085 1.00 0.00 H new ATOM 0 HG LEU A 71 100.302 1.672 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.619 2.080 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.903 3.529 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.440 2.548 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 71 98.851 -0.163 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.679 0.225 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 71 99.304 -0.362 3.100 1.00 0.00 H new ATOM 1377 N ASP A 72 100.424 2.998 -0.648 1.00 0.00 N ATOM 1378 CA ASP A 72 100.102 3.686 -1.896 1.00 0.00 C ATOM 1379 C ASP A 72 100.113 2.725 -3.086 1.00 0.00 C ATOM 1380 O ASP A 72 100.837 1.729 -3.088 1.00 0.00 O ATOM 1381 CB ASP A 72 101.066 4.847 -2.143 1.00 0.00 C ATOM 1382 CG ASP A 72 100.618 5.727 -3.293 1.00 0.00 C ATOM 1383 OD1 ASP A 72 99.394 5.905 -3.467 1.00 0.00 O ATOM 1384 OD2 ASP A 72 101.485 6.245 -4.026 1.00 0.00 O ATOM 0 H ASP A 72 101.352 3.198 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 72 99.093 4.086 -1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.148 5.448 -1.238 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.060 4.453 -2.355 1.00 0.00 H new ATOM 1389 N GLN A 73 99.284 3.040 -4.085 1.00 0.00 N ATOM 1390 CA GLN A 73 99.145 2.236 -5.308 1.00 0.00 C ATOM 1391 C GLN A 73 98.576 0.847 -5.022 1.00 0.00 C ATOM 1392 O GLN A 73 98.731 -0.075 -5.825 1.00 0.00 O ATOM 1393 CB GLN A 73 100.480 2.117 -6.052 1.00 0.00 C ATOM 1394 CG GLN A 73 100.976 3.431 -6.634 1.00 0.00 C ATOM 1395 CD GLN A 73 102.173 3.246 -7.544 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.974 2.330 -7.359 1.00 0.00 O ATOM 1397 NE2 GLN A 73 102.313 4.122 -8.524 1.00 0.00 N ATOM 0 H GLN A 73 98.685 3.865 -4.070 1.00 0.00 H new ATOM 0 HA GLN A 73 98.435 2.762 -5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.233 1.726 -5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.373 1.391 -6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.169 3.905 -7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.242 4.107 -5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 73 101.627 4.867 -8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 73 103.107 4.053 -9.160 1.00 0.00 H new ATOM 1406 N THR A 74 97.895 0.704 -3.896 1.00 0.00 N ATOM 1407 CA THR A 74 97.275 -0.560 -3.542 1.00 0.00 C ATOM 1408 C THR A 74 95.770 -0.508 -3.784 1.00 0.00 C ATOM 1409 O THR A 74 95.087 0.406 -3.320 1.00 0.00 O ATOM 1410 CB THR A 74 97.557 -0.916 -2.072 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.971 -0.915 -1.845 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.982 -2.281 -1.714 1.00 0.00 C ATOM 0 H THR A 74 97.758 1.449 -3.212 1.00 0.00 H new ATOM 0 HA THR A 74 97.707 -1.333 -4.177 1.00 0.00 H new ATOM 0 HB THR A 74 97.077 -0.169 -1.440 1.00 0.00 H new ATOM 0 HG1 THR A 74 99.169 -1.393 -1.013 1.00 0.00 H new ATOM 0 HG21 THR A 74 97.198 -2.504 -0.669 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.903 -2.273 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 74 97.434 -3.044 -2.348 1.00 0.00 H new ATOM 1420 N THR A 75 95.260 -1.474 -4.533 1.00 0.00 N ATOM 1421 CA THR A 75 93.838 -1.538 -4.824 1.00 0.00 C ATOM 1422 C THR A 75 93.131 -2.476 -3.849 1.00 0.00 C ATOM 1423 O THR A 75 93.531 -3.628 -3.684 1.00 0.00 O ATOM 1424 CB THR A 75 93.595 -2.027 -6.264 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.412 -1.280 -7.177 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.130 -1.880 -6.652 1.00 0.00 C ATOM 0 H THR A 75 95.811 -2.224 -4.950 1.00 0.00 H new ATOM 0 HA THR A 75 93.433 -0.532 -4.715 1.00 0.00 H new ATOM 0 HB THR A 75 93.861 -3.083 -6.314 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.255 -1.597 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.987 -2.233 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.513 -2.470 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.840 -0.831 -6.586 1.00 0.00 H new ATOM 1434 N LEU A 76 92.089 -1.975 -3.202 1.00 0.00 N ATOM 1435 CA LEU A 76 91.314 -2.777 -2.272 1.00 0.00 C ATOM 1436 C LEU A 76 89.965 -3.140 -2.879 1.00 0.00 C ATOM 1437 O LEU A 76 89.170 -2.264 -3.233 1.00 0.00 O ATOM 1438 CB LEU A 76 91.113 -2.027 -0.955 1.00 0.00 C ATOM 1439 CG LEU A 76 90.225 -2.739 0.070 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.807 -4.094 0.441 1.00 0.00 C ATOM 1441 CD2 LEU A 76 90.057 -1.877 1.307 1.00 0.00 C ATOM 0 H LEU A 76 91.762 -1.015 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 76 91.866 -3.695 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 76 92.089 -1.848 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.679 -1.051 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 76 89.245 -2.902 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.159 -4.581 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.880 -4.715 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.799 -3.958 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.424 -2.394 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 76 91.033 -1.686 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.593 -0.930 1.030 1.00 0.00 H new ATOM 1453 N ASP A 77 89.716 -4.432 -3.000 1.00 0.00 N ATOM 1454 CA ASP A 77 88.467 -4.927 -3.556 1.00 0.00 C ATOM 1455 C ASP A 77 88.061 -6.191 -2.814 1.00 0.00 C ATOM 1456 O ASP A 77 88.879 -6.788 -2.113 1.00 0.00 O ATOM 1457 CB ASP A 77 88.639 -5.222 -5.050 1.00 0.00 C ATOM 1458 CG ASP A 77 87.322 -5.290 -5.805 1.00 0.00 C ATOM 1459 OD1 ASP A 77 86.255 -5.090 -5.185 1.00 0.00 O ATOM 1460 OD2 ASP A 77 87.355 -5.516 -7.034 1.00 0.00 O ATOM 0 H ASP A 77 90.368 -5.164 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 77 87.689 -4.172 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.266 -4.450 -5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.167 -6.168 -5.168 1.00 0.00 H new ATOM 1465 N TYR A 78 86.815 -6.599 -2.957 1.00 0.00 N ATOM 1466 CA TYR A 78 86.345 -7.806 -2.304 1.00 0.00 C ATOM 1467 C TYR A 78 85.951 -8.834 -3.352 1.00 0.00 C ATOM 1468 O TYR A 78 85.351 -8.495 -4.375 1.00 0.00 O ATOM 1469 CB TYR A 78 85.163 -7.513 -1.365 1.00 0.00 C ATOM 1470 CG TYR A 78 83.850 -7.245 -2.071 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.566 -6.000 -2.613 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.894 -8.245 -2.195 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.368 -5.761 -3.259 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.696 -8.013 -2.842 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.438 -6.771 -3.372 1.00 0.00 C ATOM 1476 OH TYR A 78 80.245 -6.535 -4.018 1.00 0.00 O ATOM 0 H TYR A 78 86.113 -6.115 -3.517 1.00 0.00 H new ATOM 0 HA TYR A 78 87.156 -8.205 -1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.032 -8.360 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.412 -6.650 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.292 -5.205 -2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.091 -9.222 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 78 82.161 -4.786 -3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.965 -8.803 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 78 79.702 -7.351 -4.011 1.00 0.00 H new ATOM 1486 N VAL A 79 86.312 -10.080 -3.114 1.00 0.00 N ATOM 1487 CA VAL A 79 85.970 -11.153 -4.031 1.00 0.00 C ATOM 1488 C VAL A 79 85.404 -12.339 -3.274 1.00 0.00 C ATOM 1489 O VAL A 79 85.537 -12.434 -2.049 1.00 0.00 O ATOM 1490 CB VAL A 79 87.182 -11.618 -4.869 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.683 -10.498 -5.768 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.299 -12.129 -3.970 1.00 0.00 C ATOM 0 H VAL A 79 86.842 -10.376 -2.294 1.00 0.00 H new ATOM 0 HA VAL A 79 85.220 -10.754 -4.713 1.00 0.00 H new ATOM 0 HB VAL A 79 86.855 -12.441 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 79 88.536 -10.851 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 79 86.886 -10.191 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 79 87.986 -9.648 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.141 -12.451 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.621 -11.331 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 79 87.936 -12.972 -3.382 1.00 0.00 H new ATOM 1502 N GLU A 80 84.777 -13.238 -4.006 1.00 0.00 N ATOM 1503 CA GLU A 80 84.175 -14.411 -3.414 1.00 0.00 C ATOM 1504 C GLU A 80 85.105 -15.603 -3.570 1.00 0.00 C ATOM 1505 O GLU A 80 85.087 -16.282 -4.595 1.00 0.00 O ATOM 1506 CB GLU A 80 82.819 -14.735 -4.063 1.00 0.00 C ATOM 1507 CG GLU A 80 81.788 -13.614 -3.994 1.00 0.00 C ATOM 1508 CD GLU A 80 82.112 -12.450 -4.911 1.00 0.00 C ATOM 1509 OE1 GLU A 80 82.197 -12.657 -6.140 1.00 0.00 O ATOM 1510 OE2 GLU A 80 82.295 -11.325 -4.408 1.00 0.00 O ATOM 0 H GLU A 80 84.672 -13.176 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 80 84.009 -14.204 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.986 -14.991 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.404 -15.620 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.808 -14.013 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 80 81.721 -13.253 -2.968 1.00 0.00 H new ATOM 1517 N LEU A 81 85.958 -15.824 -2.579 1.00 0.00 N ATOM 1518 CA LEU A 81 86.759 -17.038 -2.550 1.00 0.00 C ATOM 1519 C LEU A 81 85.838 -18.223 -2.288 1.00 0.00 C ATOM 1520 O LEU A 81 86.094 -19.345 -2.722 1.00 0.00 O ATOM 1521 CB LEU A 81 87.850 -16.949 -1.480 1.00 0.00 C ATOM 1522 CG LEU A 81 88.840 -15.793 -1.653 1.00 0.00 C ATOM 1523 CD1 LEU A 81 89.929 -15.862 -0.596 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.451 -15.804 -3.048 1.00 0.00 C ATOM 0 H LEU A 81 86.111 -15.189 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 81 87.258 -17.168 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.373 -16.855 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 81 88.407 -17.886 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 81 88.294 -14.858 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 81 90.623 -15.033 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 81 89.479 -15.797 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 81 90.467 -16.805 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.150 -14.974 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.980 -16.744 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.661 -15.702 -3.792 1.00 0.00 H new ATOM 1536 N GLU A 82 84.758 -17.941 -1.574 1.00 0.00 N ATOM 1537 CA GLU A 82 83.676 -18.884 -1.371 1.00 0.00 C ATOM 1538 C GLU A 82 82.357 -18.135 -1.490 1.00 0.00 C ATOM 1539 O GLU A 82 82.134 -17.168 -0.764 1.00 0.00 O ATOM 1540 CB GLU A 82 83.774 -19.556 0.001 1.00 0.00 C ATOM 1541 CG GLU A 82 85.017 -20.410 0.177 1.00 0.00 C ATOM 1542 CD GLU A 82 85.027 -21.154 1.493 1.00 0.00 C ATOM 1543 OE1 GLU A 82 84.498 -22.286 1.545 1.00 0.00 O ATOM 1544 OE2 GLU A 82 85.564 -20.616 2.480 1.00 0.00 O ATOM 0 H GLU A 82 84.610 -17.042 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 82 83.739 -19.668 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 82 83.760 -18.787 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 82 82.892 -20.178 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 82 85.081 -21.126 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 82 85.901 -19.776 0.115 1.00 0.00 H new ATOM 1551 N PRO A 83 81.480 -18.550 -2.417 1.00 0.00 N ATOM 1552 CA PRO A 83 80.211 -17.866 -2.681 1.00 0.00 C ATOM 1553 C PRO A 83 79.414 -17.595 -1.405 1.00 0.00 C ATOM 1554 O PRO A 83 78.955 -18.519 -0.730 1.00 0.00 O ATOM 1555 CB PRO A 83 79.450 -18.831 -3.604 1.00 0.00 C ATOM 1556 CG PRO A 83 80.242 -20.096 -3.619 1.00 0.00 C ATOM 1557 CD PRO A 83 81.655 -19.717 -3.286 1.00 0.00 C ATOM 0 HA PRO A 83 80.372 -16.884 -3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 83 78.439 -19.008 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 83 79.356 -18.418 -4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 83 79.850 -20.808 -2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 83 80.189 -20.576 -4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 83 82.182 -20.525 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 83 82.230 -19.474 -4.179 1.00 0.00 H new ATOM 1565 N GLY A 84 79.275 -16.317 -1.074 1.00 0.00 N ATOM 1566 CA GLY A 84 78.586 -15.927 0.139 1.00 0.00 C ATOM 1567 C GLY A 84 79.520 -15.255 1.124 1.00 0.00 C ATOM 1568 O GLY A 84 79.173 -14.241 1.731 1.00 0.00 O ATOM 0 H GLY A 84 79.631 -15.539 -1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 84 77.769 -15.249 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 84 78.140 -16.807 0.603 1.00 0.00 H new ATOM 1572 N GLN A 85 80.713 -15.813 1.269 1.00 0.00 N ATOM 1573 CA GLN A 85 81.709 -15.265 2.172 1.00 0.00 C ATOM 1574 C GLN A 85 82.607 -14.297 1.419 1.00 0.00 C ATOM 1575 O GLN A 85 83.534 -14.705 0.713 1.00 0.00 O ATOM 1576 CB GLN A 85 82.537 -16.389 2.805 1.00 0.00 C ATOM 1577 CG GLN A 85 83.614 -15.908 3.772 1.00 0.00 C ATOM 1578 CD GLN A 85 83.063 -15.067 4.911 1.00 0.00 C ATOM 1579 OE1 GLN A 85 82.645 -15.594 5.941 1.00 0.00 O ATOM 1580 NE2 GLN A 85 83.084 -13.751 4.747 1.00 0.00 N ATOM 0 H GLN A 85 81.014 -16.650 0.769 1.00 0.00 H new ATOM 0 HA GLN A 85 81.203 -14.726 2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 85 81.865 -17.065 3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 85 83.010 -16.967 2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 85 84.134 -16.772 4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 85 84.352 -15.324 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 85 83.438 -13.351 3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 85 82.746 -13.139 5.490 1.00 0.00 H new ATOM 1589 N PHE A 86 82.309 -13.016 1.549 1.00 0.00 N ATOM 1590 CA PHE A 86 83.082 -11.985 0.882 1.00 0.00 C ATOM 1591 C PHE A 86 84.404 -11.772 1.598 1.00 0.00 C ATOM 1592 O PHE A 86 84.452 -11.676 2.824 1.00 0.00 O ATOM 1593 CB PHE A 86 82.291 -10.679 0.820 1.00 0.00 C ATOM 1594 CG PHE A 86 81.014 -10.799 0.039 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.044 -11.084 -1.314 1.00 0.00 C ATOM 1596 CD2 PHE A 86 79.786 -10.630 0.657 1.00 0.00 C ATOM 1597 CE1 PHE A 86 79.876 -11.198 -2.038 1.00 0.00 C ATOM 1598 CE2 PHE A 86 78.611 -10.743 -0.063 1.00 0.00 C ATOM 1599 CZ PHE A 86 78.657 -11.028 -1.412 1.00 0.00 C ATOM 0 H PHE A 86 81.535 -12.665 2.112 1.00 0.00 H new ATOM 0 HA PHE A 86 83.288 -12.311 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.060 -10.353 1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 86 82.913 -9.905 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 86 81.994 -11.219 -1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 86 79.746 -10.407 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 86 79.915 -11.420 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 86 77.659 -10.608 0.430 1.00 0.00 H new ATOM 0 HZ PHE A 86 77.741 -11.118 -1.977 1.00 0.00 H new ATOM 1609 N HIS A 87 85.475 -11.723 0.827 1.00 0.00 N ATOM 1610 CA HIS A 87 86.806 -11.557 1.380 1.00 0.00 C ATOM 1611 C HIS A 87 87.548 -10.455 0.633 1.00 0.00 C ATOM 1612 O HIS A 87 87.653 -10.487 -0.594 1.00 0.00 O ATOM 1613 CB HIS A 87 87.565 -12.889 1.306 1.00 0.00 C ATOM 1614 CG HIS A 87 89.008 -12.814 1.707 1.00 0.00 C ATOM 1615 ND1 HIS A 87 89.433 -12.784 3.016 1.00 0.00 N ATOM 1616 CD2 HIS A 87 90.127 -12.792 0.952 1.00 0.00 C ATOM 1617 CE1 HIS A 87 90.753 -12.749 3.048 1.00 0.00 C ATOM 1618 NE2 HIS A 87 91.200 -12.749 1.805 1.00 0.00 N ATOM 0 H HIS A 87 85.448 -11.796 -0.190 1.00 0.00 H new ATOM 0 HA HIS A 87 86.733 -11.262 2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 87 87.062 -13.614 1.946 1.00 0.00 H new ATOM 0 HB3 HIS A 87 87.505 -13.269 0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 87 90.169 -12.806 -0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 87 91.363 -12.725 3.939 1.00 0.00 H new ATOM 0 HE2 HIS A 87 92.181 -12.722 1.526 1.00 0.00 H new ATOM 1627 N PHE A 88 88.052 -9.486 1.382 1.00 0.00 N ATOM 1628 CA PHE A 88 88.790 -8.374 0.801 1.00 0.00 C ATOM 1629 C PHE A 88 90.184 -8.825 0.393 1.00 0.00 C ATOM 1630 O PHE A 88 90.833 -9.589 1.109 1.00 0.00 O ATOM 1631 CB PHE A 88 88.905 -7.220 1.801 1.00 0.00 C ATOM 1632 CG PHE A 88 87.587 -6.671 2.267 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.921 -5.710 1.525 1.00 0.00 C ATOM 1634 CD2 PHE A 88 87.022 -7.106 3.456 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.715 -5.195 1.958 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.816 -6.595 3.892 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.163 -5.637 3.142 1.00 0.00 C ATOM 0 H PHE A 88 87.963 -9.447 2.397 1.00 0.00 H new ATOM 0 HA PHE A 88 88.246 -8.030 -0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.470 -7.562 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.479 -6.414 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.349 -5.359 0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.531 -7.853 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.205 -4.447 1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.384 -6.944 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.221 -5.234 3.482 1.00 0.00 H new ATOM 1647 N ILE A 89 90.629 -8.368 -0.764 1.00 0.00 N ATOM 1648 CA ILE A 89 91.958 -8.680 -1.253 1.00 0.00 C ATOM 1649 C ILE A 89 92.692 -7.398 -1.622 1.00 0.00 C ATOM 1650 O ILE A 89 92.074 -6.422 -2.055 1.00 0.00 O ATOM 1651 CB ILE A 89 91.927 -9.625 -2.477 1.00 0.00 C ATOM 1652 CG1 ILE A 89 91.156 -8.987 -3.639 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.306 -10.962 -2.099 1.00 0.00 C ATOM 1654 CD1 ILE A 89 91.183 -9.810 -4.908 1.00 0.00 C ATOM 0 H ILE A 89 90.082 -7.774 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 89 92.483 -9.195 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 89 92.953 -9.796 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 89 90.120 -8.835 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.576 -8.002 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.291 -11.616 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.895 -11.426 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.287 -10.803 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.618 -9.297 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.215 -9.941 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.736 -10.786 -4.718 1.00 0.00 H new ATOM 1666 N PHE A 90 93.998 -7.399 -1.437 1.00 0.00 N ATOM 1667 CA PHE A 90 94.805 -6.232 -1.745 1.00 0.00 C ATOM 1668 C PHE A 90 95.615 -6.466 -3.010 1.00 0.00 C ATOM 1669 O PHE A 90 96.543 -7.275 -3.032 1.00 0.00 O ATOM 1670 CB PHE A 90 95.728 -5.889 -0.573 1.00 0.00 C ATOM 1671 CG PHE A 90 94.991 -5.439 0.656 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.657 -4.106 0.828 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.628 -6.349 1.636 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.976 -3.687 1.955 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.946 -5.937 2.765 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.621 -4.604 2.925 1.00 0.00 C ATOM 0 H PHE A 90 94.524 -8.195 -1.075 1.00 0.00 H new ATOM 0 HA PHE A 90 94.137 -5.387 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.330 -6.764 -0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.418 -5.104 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.932 -3.385 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.881 -7.392 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.722 -2.644 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.668 -6.656 3.521 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.090 -4.279 3.808 1.00 0.00 H new ATOM 1686 N LEU A 91 95.239 -5.769 -4.067 1.00 0.00 N ATOM 1687 CA LEU A 91 95.954 -5.851 -5.325 1.00 0.00 C ATOM 1688 C LEU A 91 97.014 -4.769 -5.378 1.00 0.00 C ATOM 1689 O LEU A 91 96.731 -3.616 -5.715 1.00 0.00 O ATOM 1690 CB LEU A 91 94.988 -5.722 -6.502 1.00 0.00 C ATOM 1691 CG LEU A 91 93.957 -6.843 -6.597 1.00 0.00 C ATOM 1692 CD1 LEU A 91 92.904 -6.517 -7.644 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.636 -8.168 -6.919 1.00 0.00 C ATOM 0 H LEU A 91 94.438 -5.137 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 91 96.439 -6.824 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.465 -4.769 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.563 -5.695 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 91 93.462 -6.934 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.179 -7.329 -7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.395 -5.592 -7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.383 -6.396 -8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.885 -8.956 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.159 -8.087 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.351 -8.411 -6.133 1.00 0.00 H new ATOM 1705 N ASN A 92 98.217 -5.141 -4.997 1.00 0.00 N ATOM 1706 CA ASN A 92 99.328 -4.204 -4.927 1.00 0.00 C ATOM 1707 C ASN A 92 100.442 -4.595 -5.900 1.00 0.00 C ATOM 1708 O ASN A 92 101.398 -5.276 -5.535 1.00 0.00 O ATOM 1709 CB ASN A 92 99.867 -4.110 -3.487 1.00 0.00 C ATOM 1710 CG ASN A 92 100.331 -5.448 -2.918 1.00 0.00 C ATOM 1711 OD1 ASN A 92 99.821 -6.512 -3.277 1.00 0.00 O ATOM 1712 ND2 ASN A 92 101.292 -5.401 -2.010 1.00 0.00 N ATOM 0 H ASN A 92 98.456 -6.095 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 92 98.959 -3.221 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 92 100.700 -3.407 -3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 92 99.088 -3.701 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.633 -6.262 -1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 92 101.692 -4.503 -1.736 1.00 0.00 H new ATOM 1719 N PRO A 93 100.332 -4.158 -7.165 1.00 0.00 N ATOM 1720 CA PRO A 93 101.320 -4.470 -8.200 1.00 0.00 C ATOM 1721 C PRO A 93 102.612 -3.683 -8.007 1.00 0.00 C ATOM 1722 O PRO A 93 103.579 -3.863 -8.746 1.00 0.00 O ATOM 1723 CB PRO A 93 100.631 -4.055 -9.511 1.00 0.00 C ATOM 1724 CG PRO A 93 99.218 -3.737 -9.144 1.00 0.00 C ATOM 1725 CD PRO A 93 99.241 -3.339 -7.699 1.00 0.00 C ATOM 0 HA PRO A 93 101.610 -5.521 -8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 93 101.124 -3.190 -9.955 1.00 0.00 H new ATOM 0 HB3 PRO A 93 100.673 -4.858 -10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 93 98.827 -2.930 -9.764 1.00 0.00 H new ATOM 0 HG3 PRO A 93 98.572 -4.601 -9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 93 99.434 -2.274 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 93 98.293 -3.551 -7.204 1.00 0.00 H new ATOM 1733 N ARG A 94 102.612 -2.797 -7.013 1.00 0.00 N ATOM 1734 CA ARG A 94 103.794 -2.012 -6.683 1.00 0.00 C ATOM 1735 C ARG A 94 104.889 -2.929 -6.151 1.00 0.00 C ATOM 1736 O ARG A 94 106.080 -2.685 -6.350 1.00 0.00 O ATOM 1737 CB ARG A 94 103.443 -0.923 -5.666 1.00 0.00 C ATOM 1738 CG ARG A 94 104.604 -0.004 -5.331 1.00 0.00 C ATOM 1739 CD ARG A 94 104.135 1.223 -4.572 1.00 0.00 C ATOM 1740 NE ARG A 94 105.251 2.065 -4.147 1.00 0.00 N ATOM 1741 CZ ARG A 94 105.527 3.262 -4.668 1.00 0.00 C ATOM 1742 NH1 ARG A 94 104.845 3.712 -5.715 1.00 0.00 N ATOM 1743 NH2 ARG A 94 106.505 3.994 -4.153 1.00 0.00 N ATOM 0 H ARG A 94 101.803 -2.606 -6.422 1.00 0.00 H new ATOM 0 HA ARG A 94 104.163 -1.521 -7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 94 102.619 -0.326 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 94 103.088 -1.395 -4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 94 105.338 -0.545 -4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 94 105.104 0.303 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 94 103.462 1.804 -5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 94 103.563 0.912 -3.698 1.00 0.00 H new ATOM 0 HE ARG A 94 105.857 1.716 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 94 104.106 3.142 -6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 94 105.061 4.628 -6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 94 107.043 3.642 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 94 106.719 4.910 -4.548 1.00 0.00 H new ATOM 1757 N ASP A 95 104.471 -3.987 -5.473 1.00 0.00 N ATOM 1758 CA ASP A 95 105.363 -5.083 -5.141 1.00 0.00 C ATOM 1759 C ASP A 95 105.326 -6.071 -6.293 1.00 0.00 C ATOM 1760 O ASP A 95 104.249 -6.535 -6.650 1.00 0.00 O ATOM 1761 CB ASP A 95 104.936 -5.763 -3.835 1.00 0.00 C ATOM 1762 CG ASP A 95 105.701 -7.046 -3.565 1.00 0.00 C ATOM 1763 OD1 ASP A 95 106.886 -6.976 -3.178 1.00 0.00 O ATOM 1764 OD2 ASP A 95 105.123 -8.137 -3.745 1.00 0.00 O ATOM 0 H ASP A 95 103.514 -4.108 -5.141 1.00 0.00 H new ATOM 0 HA ASP A 95 106.376 -4.708 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 95 105.087 -5.073 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 95 103.869 -5.983 -3.877 1.00 0.00 H new ATOM 1769 N PRO A 96 106.494 -6.369 -6.899 1.00 0.00 N ATOM 1770 CA PRO A 96 106.608 -7.150 -8.143 1.00 0.00 C ATOM 1771 C PRO A 96 105.610 -8.305 -8.271 1.00 0.00 C ATOM 1772 O PRO A 96 105.884 -9.434 -7.856 1.00 0.00 O ATOM 1773 CB PRO A 96 108.036 -7.676 -8.073 1.00 0.00 C ATOM 1774 CG PRO A 96 108.790 -6.599 -7.372 1.00 0.00 C ATOM 1775 CD PRO A 96 107.825 -5.959 -6.403 1.00 0.00 C ATOM 0 HA PRO A 96 106.383 -6.535 -9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 96 108.087 -8.618 -7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 96 108.441 -7.862 -9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 96 109.653 -7.009 -6.846 1.00 0.00 H new ATOM 0 HG3 PRO A 96 109.169 -5.865 -8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 96 107.995 -6.305 -5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 96 107.930 -4.874 -6.393 1.00 0.00 H new ATOM 1783 N THR A 97 104.450 -7.994 -8.837 1.00 0.00 N ATOM 1784 CA THR A 97 103.408 -8.973 -9.105 1.00 0.00 C ATOM 1785 C THR A 97 102.704 -8.605 -10.403 1.00 0.00 C ATOM 1786 O THR A 97 102.331 -7.446 -10.594 1.00 0.00 O ATOM 1787 CB THR A 97 102.372 -9.043 -7.962 1.00 0.00 C ATOM 1788 OG1 THR A 97 101.999 -7.723 -7.548 1.00 0.00 O ATOM 1789 CG2 THR A 97 102.911 -9.822 -6.771 1.00 0.00 C ATOM 0 H THR A 97 104.206 -7.046 -9.125 1.00 0.00 H new ATOM 0 HA THR A 97 103.878 -9.953 -9.186 1.00 0.00 H new ATOM 0 HB THR A 97 101.494 -9.565 -8.342 1.00 0.00 H new ATOM 0 HG1 THR A 97 102.766 -7.284 -7.124 1.00 0.00 H new ATOM 0 HG21 THR A 97 102.157 -9.852 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.153 -10.839 -7.081 1.00 0.00 H new ATOM 0 HG23 THR A 97 103.810 -9.334 -6.394 1.00 0.00 H new ATOM 1797 N TYR A 98 102.535 -9.586 -11.286 1.00 0.00 N ATOM 1798 CA TYR A 98 102.005 -9.348 -12.626 1.00 0.00 C ATOM 1799 C TYR A 98 102.882 -8.331 -13.361 1.00 0.00 C ATOM 1800 O TYR A 98 103.922 -8.693 -13.911 1.00 0.00 O ATOM 1801 CB TYR A 98 100.540 -8.884 -12.576 1.00 0.00 C ATOM 1802 CG TYR A 98 99.610 -9.849 -11.875 1.00 0.00 C ATOM 1803 CD1 TYR A 98 99.148 -10.993 -12.516 1.00 0.00 C ATOM 1804 CD2 TYR A 98 99.188 -9.610 -10.574 1.00 0.00 C ATOM 1805 CE1 TYR A 98 98.292 -11.870 -11.877 1.00 0.00 C ATOM 1806 CE2 TYR A 98 98.335 -10.482 -9.928 1.00 0.00 C ATOM 1807 CZ TYR A 98 97.889 -11.611 -10.584 1.00 0.00 C ATOM 1808 OH TYR A 98 97.034 -12.479 -9.945 1.00 0.00 O ATOM 0 H TYR A 98 102.760 -10.562 -11.095 1.00 0.00 H new ATOM 0 HA TYR A 98 102.025 -10.289 -13.176 1.00 0.00 H new ATOM 0 HB2 TYR A 98 100.493 -7.919 -12.071 1.00 0.00 H new ATOM 0 HB3 TYR A 98 100.184 -8.729 -13.595 1.00 0.00 H new ATOM 0 HD1 TYR A 98 99.463 -11.199 -13.528 1.00 0.00 H new ATOM 0 HD2 TYR A 98 99.533 -8.726 -10.058 1.00 0.00 H new ATOM 0 HE1 TYR A 98 97.940 -12.754 -12.388 1.00 0.00 H new ATOM 0 HE2 TYR A 98 98.019 -10.282 -8.915 1.00 0.00 H new ATOM 0 HH TYR A 98 96.850 -12.150 -9.040 1.00 0.00 H new ATOM 1818 N ARG A 99 102.477 -7.064 -13.340 1.00 0.00 N ATOM 1819 CA ARG A 99 103.273 -5.972 -13.892 1.00 0.00 C ATOM 1820 C ARG A 99 103.154 -4.760 -12.976 1.00 0.00 C ATOM 1821 O ARG A 99 102.046 -4.378 -12.597 1.00 0.00 O ATOM 1822 CB ARG A 99 102.803 -5.575 -15.302 1.00 0.00 C ATOM 1823 CG ARG A 99 102.900 -6.677 -16.349 1.00 0.00 C ATOM 1824 CD ARG A 99 104.302 -7.264 -16.444 1.00 0.00 C ATOM 1825 NE ARG A 99 105.324 -6.271 -16.775 1.00 0.00 N ATOM 1826 CZ ARG A 99 106.531 -6.593 -17.250 1.00 0.00 C ATOM 1827 NH1 ARG A 99 106.851 -7.867 -17.447 1.00 0.00 N ATOM 1828 NH2 ARG A 99 107.426 -5.650 -17.504 1.00 0.00 N ATOM 0 H ARG A 99 101.588 -6.766 -12.940 1.00 0.00 H new ATOM 0 HA ARG A 99 104.306 -6.312 -13.962 1.00 0.00 H new ATOM 0 HB2 ARG A 99 101.767 -5.242 -15.242 1.00 0.00 H new ATOM 0 HB3 ARG A 99 103.393 -4.723 -15.638 1.00 0.00 H new ATOM 0 HG2 ARG A 99 102.193 -7.470 -16.105 1.00 0.00 H new ATOM 0 HG3 ARG A 99 102.609 -6.278 -17.321 1.00 0.00 H new ATOM 0 HD2 ARG A 99 104.557 -7.734 -15.494 1.00 0.00 H new ATOM 0 HD3 ARG A 99 104.309 -8.049 -17.200 1.00 0.00 H new ATOM 0 HE ARG A 99 105.105 -5.285 -16.636 1.00 0.00 H new ATOM 0 HH11 ARG A 99 106.175 -8.601 -17.236 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.773 -8.111 -17.810 1.00 0.00 H new ATOM 0 HH21 ARG A 99 107.196 -4.670 -17.337 1.00 0.00 H new ATOM 0 HH22 ARG A 99 108.345 -5.904 -17.866 1.00 0.00 H new ATOM 1842 N PRO A 100 104.288 -4.153 -12.589 1.00 0.00 N ATOM 1843 CA PRO A 100 104.293 -2.941 -11.759 1.00 0.00 C ATOM 1844 C PRO A 100 103.507 -1.803 -12.411 1.00 0.00 C ATOM 1845 O PRO A 100 103.452 -1.708 -13.641 1.00 0.00 O ATOM 1846 CB PRO A 100 105.779 -2.581 -11.657 1.00 0.00 C ATOM 1847 CG PRO A 100 106.499 -3.857 -11.929 1.00 0.00 C ATOM 1848 CD PRO A 100 105.649 -4.603 -12.916 1.00 0.00 C ATOM 0 HA PRO A 100 103.819 -3.102 -10.791 1.00 0.00 H new ATOM 0 HB2 PRO A 100 106.050 -1.812 -12.380 1.00 0.00 H new ATOM 0 HB3 PRO A 100 106.025 -2.191 -10.669 1.00 0.00 H new ATOM 0 HG2 PRO A 100 107.493 -3.667 -12.334 1.00 0.00 H new ATOM 0 HG3 PRO A 100 106.633 -4.433 -11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 100 105.918 -4.361 -13.944 1.00 0.00 H new ATOM 0 HD3 PRO A 100 105.755 -5.682 -12.805 1.00 0.00 H new ATOM 1856 N PRO A 101 102.892 -0.920 -11.599 1.00 0.00 N ATOM 1857 CA PRO A 101 102.054 0.176 -12.099 1.00 0.00 C ATOM 1858 C PRO A 101 102.836 1.156 -12.968 1.00 0.00 C ATOM 1859 O PRO A 101 103.397 2.137 -12.476 1.00 0.00 O ATOM 1860 CB PRO A 101 101.544 0.866 -10.827 1.00 0.00 C ATOM 1861 CG PRO A 101 101.758 -0.126 -9.734 1.00 0.00 C ATOM 1862 CD PRO A 101 102.969 -0.918 -10.132 1.00 0.00 C ATOM 0 HA PRO A 101 101.252 -0.192 -12.739 1.00 0.00 H new ATOM 0 HB2 PRO A 101 102.090 1.789 -10.634 1.00 0.00 H new ATOM 0 HB3 PRO A 101 100.491 1.131 -10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 101 101.914 0.373 -8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 101 100.889 -0.773 -9.617 1.00 0.00 H new ATOM 0 HD2 PRO A 101 103.889 -0.455 -9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 101 102.943 -1.929 -9.725 1.00 0.00 H new ATOM 1870 N SER A 102 102.867 0.876 -14.263 1.00 0.00 N ATOM 1871 CA SER A 102 103.627 1.672 -15.212 1.00 0.00 C ATOM 1872 C SER A 102 102.773 2.813 -15.765 1.00 0.00 C ATOM 1873 O SER A 102 102.701 3.025 -16.975 1.00 0.00 O ATOM 1874 CB SER A 102 104.116 0.769 -16.346 1.00 0.00 C ATOM 1875 OG SER A 102 104.710 -0.412 -15.826 1.00 0.00 O ATOM 0 H SER A 102 102.367 0.093 -14.683 1.00 0.00 H new ATOM 0 HA SER A 102 104.485 2.113 -14.705 1.00 0.00 H new ATOM 0 HB2 SER A 102 103.280 0.507 -16.995 1.00 0.00 H new ATOM 0 HB3 SER A 102 104.839 1.306 -16.959 1.00 0.00 H new ATOM 0 HG SER A 102 104.109 -0.817 -15.166 1.00 0.00 H new ATOM 1881 N GLY A 103 102.131 3.546 -14.867 1.00 0.00 N ATOM 1882 CA GLY A 103 101.278 4.642 -15.273 1.00 0.00 C ATOM 1883 C GLY A 103 101.357 5.808 -14.310 1.00 0.00 C ATOM 1884 O GLY A 103 100.395 6.560 -14.156 1.00 0.00 O ATOM 0 H GLY A 103 102.187 3.399 -13.859 1.00 0.00 H new ATOM 0 HA2 GLY A 103 101.565 4.975 -16.270 1.00 0.00 H new ATOM 0 HA3 GLY A 103 100.247 4.294 -15.338 1.00 0.00 H new ATOM 1888 N GLY A 104 102.503 5.948 -13.659 1.00 0.00 N ATOM 1889 CA GLY A 104 102.699 7.030 -12.716 1.00 0.00 C ATOM 1890 C GLY A 104 104.152 7.162 -12.315 1.00 0.00 C ATOM 1891 O GLY A 104 104.858 6.128 -12.291 1.00 0.00 O ATOM 1892 OXT GLY A 104 104.602 8.292 -12.046 1.00 0.00 O ATOM 0 H GLY A 104 103.305 5.327 -13.768 1.00 0.00 H new ATOM 0 HA2 GLY A 104 102.356 7.966 -13.158 1.00 0.00 H new ATOM 0 HA3 GLY A 104 102.090 6.855 -11.829 1.00 0.00 H new TER 1896 GLY A 104