USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 993 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 65 LYS NZ :NH3+ -120:sc= 0.385 (180deg=0) USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0.355 USER MOD Set 2.1: A 7 HIS : no HD1:sc= -0.37 K(o=-1.6,f=-0.27) USER MOD Set 2.2: A 9 SER OG : rot -115:sc= 0.606 USER MOD Set 2.3: A 16 GLN : amide:sc= -2! K(o=-1.6!,f=0.15) USER MOD Set 2.4: A 118 ASN : amide:sc= 0.13 K(o=-1.6,f=-0.27) USER MOD Set 3.1: A 6 HIS : no HE2:sc= 0.991 K(o=-0.82,f=-8.4!) USER MOD Set 3.2: A 12 ASN : amide:sc= -1.81! K(o=-0.82!,f=-3.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00454 (180deg=-0.132) USER MOD Single : A 3 HIS : no HE2:sc= 0.235 K(o=0.23,f=-3.3!) USER MOD Single : A 4 HIS : no HD1:sc= -0.823 X(o=-0.82,f=-0.5) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=-0.016) USER MOD Single : A 10 HIS : no HD1:sc= -0.097 K(o=-0.097,f=-0.76) USER MOD Single : A 11 MET CE :methyl 160:sc= -0.079 (180deg=-0.562) USER MOD Single : A 13 SER OG : rot 108:sc= 0.724 USER MOD Single : A 17 THR OG1 : rot 92:sc= 1.21 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 2.36 (180deg=2.29) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.68) USER MOD Single : A 44 SER OG : rot -87:sc= 0.938 USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.526! (180deg=-4.17!) USER MOD Single : A 52 CYS SG : rot 57:sc= -1.93 USER MOD Single : A 62 THR OG1 : rot 98:sc= 0.682 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -111:sc= -0.813 USER MOD Single : A 78 SER OG : rot -23:sc= 0.518 USER MOD Single : A 79 ASN : amide:sc= 1.04 K(o=1,f=-7.9!) USER MOD Single : A 87 CYS SG : rot 157:sc= -2.45! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.63) USER MOD Single : A 105 GLN : amide:sc= -0.492 K(o=-0.49,f=-2.1!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 108 ASN : amide:sc= -1.36 K(o=-1.4,f=-12!) USER MOD Single : A 109 LYS NZ :NH3+ -140:sc= -1.37 (180deg=-3.31!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 69:sc= 0.746 USER MOD Single : A 116 THR OG1 : rot 73:sc= 1.14 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -85:sc= 0.958 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.762 4.979 -27.816 1.00 43.41 N ATOM 2 CA MET A 1 -5.529 6.169 -26.948 1.00 60.04 C ATOM 3 C MET A 1 -4.067 6.636 -27.028 1.00 4.42 C ATOM 4 O MET A 1 -3.764 7.620 -27.700 1.00 3.31 O ATOM 5 CB MET A 1 -5.907 5.857 -25.489 1.00 25.14 C ATOM 6 CG MET A 1 -7.387 5.555 -25.288 1.00 44.04 C ATOM 7 SD MET A 1 -7.788 5.167 -23.572 1.00 41.22 S ATOM 8 CE MET A 1 -9.564 4.947 -23.682 1.00 33.12 C ATOM 0 H1 MET A 1 -6.783 4.798 -27.890 1.00 43.41 H new ATOM 0 H2 MET A 1 -5.372 5.159 -28.763 1.00 43.41 H new ATOM 0 H3 MET A 1 -5.293 4.149 -27.400 1.00 43.41 H new ATOM 0 HA MET A 1 -6.165 6.976 -27.311 1.00 60.04 H new ATOM 0 HB2 MET A 1 -5.322 5.004 -25.146 1.00 25.14 H new ATOM 0 HB3 MET A 1 -5.630 6.705 -24.863 1.00 25.14 H new ATOM 0 HG2 MET A 1 -7.976 6.414 -25.610 1.00 44.04 H new ATOM 0 HG3 MET A 1 -7.673 4.716 -25.923 1.00 44.04 H new ATOM 0 HE1 MET A 1 -9.962 4.702 -22.697 1.00 33.12 H new ATOM 0 HE2 MET A 1 -10.023 5.869 -24.040 1.00 33.12 H new ATOM 0 HE3 MET A 1 -9.788 4.137 -24.376 1.00 33.12 H new ATOM 20 N GLY A 2 -3.164 5.923 -26.344 1.00 12.41 N ATOM 21 CA GLY A 2 -1.736 6.251 -26.381 1.00 60.04 C ATOM 22 C GLY A 2 -1.417 7.722 -26.095 1.00 60.25 C ATOM 23 O GLY A 2 -0.551 8.315 -26.743 1.00 44.22 O ATOM 0 H GLY A 2 -3.397 5.119 -25.761 1.00 12.41 H new ATOM 0 HA2 GLY A 2 -1.214 5.630 -25.653 1.00 60.04 H new ATOM 0 HA3 GLY A 2 -1.341 5.990 -27.363 1.00 60.04 H new ATOM 27 N HIS A 3 -2.116 8.316 -25.129 1.00 3.44 N ATOM 28 CA HIS A 3 -1.908 9.729 -24.770 1.00 65.43 C ATOM 29 C HIS A 3 -1.922 9.937 -23.246 1.00 61.23 C ATOM 30 O HIS A 3 -2.184 9.007 -22.481 1.00 23.31 O ATOM 31 CB HIS A 3 -2.965 10.618 -25.447 1.00 31.24 C ATOM 32 CG HIS A 3 -2.707 10.854 -26.910 1.00 73.43 C ATOM 33 ND1 HIS A 3 -3.372 10.193 -27.922 1.00 25.03 N ATOM 34 CD2 HIS A 3 -1.845 11.698 -27.528 1.00 31.41 C ATOM 35 CE1 HIS A 3 -2.930 10.615 -29.089 1.00 23.54 C ATOM 36 NE2 HIS A 3 -2.006 11.526 -28.878 1.00 61.53 N ATOM 0 H HIS A 3 -2.833 7.845 -24.577 1.00 3.44 H new ATOM 0 HA HIS A 3 -0.921 10.019 -25.131 1.00 65.43 H new ATOM 0 HB2 HIS A 3 -3.945 10.156 -25.330 1.00 31.24 H new ATOM 0 HB3 HIS A 3 -3.002 11.579 -24.934 1.00 31.24 H new ATOM 0 HD1 HIS A 3 -4.095 9.486 -27.787 1.00 25.03 H new ATOM 0 HD2 HIS A 3 -1.159 12.379 -27.046 1.00 31.41 H new ATOM 0 HE1 HIS A 3 -3.269 10.271 -30.055 1.00 23.54 H new ATOM 45 N HIS A 4 -1.650 11.168 -22.812 1.00 14.15 N ATOM 46 CA HIS A 4 -1.484 11.468 -21.382 1.00 11.14 C ATOM 47 C HIS A 4 -2.820 11.511 -20.621 1.00 3.21 C ATOM 48 O HIS A 4 -3.524 12.521 -20.613 1.00 45.25 O ATOM 49 CB HIS A 4 -0.723 12.788 -21.196 1.00 73.43 C ATOM 50 CG HIS A 4 0.735 12.689 -21.527 1.00 52.42 C ATOM 51 ND1 HIS A 4 1.268 13.077 -22.736 1.00 44.11 N ATOM 52 CD2 HIS A 4 1.780 12.242 -20.790 1.00 3.12 C ATOM 53 CE1 HIS A 4 2.567 12.871 -22.728 1.00 45.11 C ATOM 54 NE2 HIS A 4 2.906 12.368 -21.561 1.00 34.12 N ATOM 0 H HIS A 4 -1.539 11.975 -23.426 1.00 14.15 H new ATOM 0 HA HIS A 4 -0.903 10.650 -20.956 1.00 11.14 H new ATOM 0 HB2 HIS A 4 -1.179 13.553 -21.825 1.00 73.43 H new ATOM 0 HB3 HIS A 4 -0.831 13.118 -20.163 1.00 73.43 H new ATOM 0 HD2 HIS A 4 1.734 11.858 -19.782 1.00 3.12 H new ATOM 0 HE1 HIS A 4 3.243 13.080 -23.544 1.00 45.11 H new ATOM 0 HE2 HIS A 4 3.852 12.113 -21.276 1.00 34.12 H new ATOM 63 N HIS A 5 -3.169 10.388 -20.001 1.00 0.41 N ATOM 64 CA HIS A 5 -4.312 10.311 -19.085 1.00 20.34 C ATOM 65 C HIS A 5 -3.829 9.912 -17.681 1.00 52.25 C ATOM 66 O HIS A 5 -3.035 8.987 -17.539 1.00 32.01 O ATOM 67 CB HIS A 5 -5.344 9.288 -19.586 1.00 61.10 C ATOM 68 CG HIS A 5 -6.016 9.668 -20.874 1.00 21.01 C ATOM 69 ND1 HIS A 5 -7.326 10.089 -20.941 1.00 35.33 N ATOM 70 CD2 HIS A 5 -5.567 9.661 -22.154 1.00 63.45 C ATOM 71 CE1 HIS A 5 -7.654 10.322 -22.194 1.00 54.42 C ATOM 72 NE2 HIS A 5 -6.607 10.070 -22.953 1.00 74.53 N ATOM 0 H HIS A 5 -2.671 9.505 -20.116 1.00 0.41 H new ATOM 0 HA HIS A 5 -4.786 11.292 -19.043 1.00 20.34 H new ATOM 0 HB2 HIS A 5 -4.850 8.326 -19.718 1.00 61.10 H new ATOM 0 HB3 HIS A 5 -6.106 9.152 -18.818 1.00 61.10 H new ATOM 0 HD2 HIS A 5 -4.576 9.385 -22.484 1.00 63.45 H new ATOM 0 HE1 HIS A 5 -8.618 10.662 -22.541 1.00 54.42 H new ATOM 0 HE2 HIS A 5 -6.574 10.163 -23.968 1.00 74.53 H new ATOM 81 N HIS A 6 -4.300 10.614 -16.649 1.00 22.35 N ATOM 82 CA HIS A 6 -3.910 10.299 -15.264 1.00 42.11 C ATOM 83 C HIS A 6 -4.433 8.921 -14.835 1.00 13.05 C ATOM 84 O HIS A 6 -3.713 8.135 -14.223 1.00 72.11 O ATOM 85 CB HIS A 6 -4.399 11.384 -14.302 1.00 4.33 C ATOM 86 CG HIS A 6 -3.681 12.687 -14.468 1.00 45.12 C ATOM 87 ND1 HIS A 6 -2.405 12.903 -13.994 1.00 4.44 N ATOM 88 CD2 HIS A 6 -4.056 13.846 -15.060 1.00 5.22 C ATOM 89 CE1 HIS A 6 -2.031 14.129 -14.282 1.00 63.34 C ATOM 90 NE2 HIS A 6 -3.010 14.725 -14.930 1.00 51.23 N ATOM 0 H HIS A 6 -4.946 11.398 -16.739 1.00 22.35 H new ATOM 0 HA HIS A 6 -2.821 10.269 -15.226 1.00 42.11 H new ATOM 0 HB2 HIS A 6 -5.466 11.543 -14.456 1.00 4.33 H new ATOM 0 HB3 HIS A 6 -4.273 11.035 -13.277 1.00 4.33 H new ATOM 0 HD1 HIS A 6 -1.838 12.217 -13.496 1.00 4.44 H new ATOM 0 HD2 HIS A 6 -5.001 14.042 -15.544 1.00 5.22 H new ATOM 0 HE1 HIS A 6 -1.080 14.574 -14.029 1.00 63.34 H new ATOM 99 N HIS A 7 -5.695 8.638 -15.137 1.00 14.44 N ATOM 100 CA HIS A 7 -6.234 7.283 -14.987 1.00 23.32 C ATOM 101 C HIS A 7 -6.142 6.540 -16.329 1.00 14.33 C ATOM 102 O HIS A 7 -6.096 7.175 -17.380 1.00 24.50 O ATOM 103 CB HIS A 7 -7.673 7.333 -14.465 1.00 44.23 C ATOM 104 CG HIS A 7 -7.777 7.952 -13.101 1.00 73.31 C ATOM 105 ND1 HIS A 7 -6.679 8.222 -12.306 1.00 54.22 N ATOM 106 CD2 HIS A 7 -8.856 8.362 -12.390 1.00 15.04 C ATOM 107 CE1 HIS A 7 -7.078 8.766 -11.177 1.00 42.21 C ATOM 108 NE2 HIS A 7 -8.390 8.863 -11.202 1.00 34.22 N ATOM 0 H HIS A 7 -6.365 9.323 -15.486 1.00 14.44 H new ATOM 0 HA HIS A 7 -5.642 6.736 -14.253 1.00 23.32 H new ATOM 0 HB2 HIS A 7 -8.288 7.900 -15.164 1.00 44.23 H new ATOM 0 HB3 HIS A 7 -8.078 6.321 -14.432 1.00 44.23 H new ATOM 0 HD2 HIS A 7 -9.889 8.305 -12.701 1.00 15.04 H new ATOM 0 HE1 HIS A 7 -6.437 9.080 -10.366 1.00 42.21 H new ATOM 0 HE2 HIS A 7 -8.968 9.250 -10.456 1.00 34.22 H new ATOM 117 N HIS A 8 -6.124 5.200 -16.287 1.00 42.23 N ATOM 118 CA HIS A 8 -5.758 4.375 -17.459 1.00 64.30 C ATOM 119 C HIS A 8 -4.267 4.552 -17.795 1.00 33.35 C ATOM 120 O HIS A 8 -3.797 4.144 -18.859 1.00 34.52 O ATOM 121 CB HIS A 8 -6.610 4.727 -18.696 1.00 14.12 C ATOM 122 CG HIS A 8 -8.078 4.516 -18.515 1.00 54.12 C ATOM 123 ND1 HIS A 8 -8.795 3.573 -19.217 1.00 55.42 N ATOM 124 CD2 HIS A 8 -8.973 5.145 -17.720 1.00 12.22 C ATOM 125 CE1 HIS A 8 -10.059 3.627 -18.860 1.00 65.41 C ATOM 126 NE2 HIS A 8 -10.195 4.570 -17.952 1.00 1.24 N ATOM 0 H HIS A 8 -6.358 4.659 -15.455 1.00 42.23 H new ATOM 0 HA HIS A 8 -5.953 3.335 -17.196 1.00 64.30 H new ATOM 0 HB2 HIS A 8 -6.435 5.771 -18.958 1.00 14.12 H new ATOM 0 HB3 HIS A 8 -6.270 4.126 -19.539 1.00 14.12 H new ATOM 0 HD2 HIS A 8 -8.764 5.950 -17.031 1.00 12.22 H new ATOM 0 HE1 HIS A 8 -10.852 3.003 -19.246 1.00 65.41 H new ATOM 0 HE2 HIS A 8 -11.069 4.831 -17.495 1.00 1.24 H new ATOM 135 N SER A 9 -3.522 5.140 -16.861 1.00 41.42 N ATOM 136 CA SER A 9 -2.127 5.521 -17.096 1.00 42.03 C ATOM 137 C SER A 9 -1.155 4.356 -16.902 1.00 32.01 C ATOM 138 O SER A 9 -1.495 3.312 -16.344 1.00 14.54 O ATOM 139 CB SER A 9 -1.716 6.668 -16.165 1.00 53.23 C ATOM 140 OG SER A 9 -1.794 6.285 -14.801 1.00 52.13 O ATOM 0 H SER A 9 -3.863 5.365 -15.926 1.00 41.42 H new ATOM 0 HA SER A 9 -2.070 5.840 -18.137 1.00 42.03 H new ATOM 0 HB2 SER A 9 -0.698 6.980 -16.398 1.00 53.23 H new ATOM 0 HB3 SER A 9 -2.362 7.529 -16.340 1.00 53.23 H new ATOM 0 HG SER A 9 -2.482 6.818 -14.350 1.00 52.13 H new ATOM 146 N HIS A 10 0.060 4.553 -17.399 1.00 42.32 N ATOM 147 CA HIS A 10 1.164 3.613 -17.213 1.00 34.21 C ATOM 148 C HIS A 10 2.471 4.375 -16.917 1.00 12.33 C ATOM 149 O HIS A 10 3.325 3.901 -16.168 1.00 51.53 O ATOM 150 CB HIS A 10 1.321 2.727 -18.458 1.00 45.14 C ATOM 151 CG HIS A 10 0.167 1.793 -18.679 1.00 63.32 C ATOM 152 ND1 HIS A 10 -1.042 2.195 -19.205 1.00 32.22 N ATOM 153 CD2 HIS A 10 0.038 0.468 -18.425 1.00 72.42 C ATOM 154 CE1 HIS A 10 -1.860 1.164 -19.263 1.00 34.01 C ATOM 155 NE2 HIS A 10 -1.232 0.104 -18.799 1.00 53.14 N ATOM 0 H HIS A 10 0.311 5.376 -17.947 1.00 42.32 H new ATOM 0 HA HIS A 10 0.941 2.972 -16.360 1.00 34.21 H new ATOM 0 HB2 HIS A 10 1.435 3.364 -19.335 1.00 45.14 H new ATOM 0 HB3 HIS A 10 2.237 2.144 -18.366 1.00 45.14 H new ATOM 0 HD2 HIS A 10 0.793 -0.181 -18.006 1.00 72.42 H new ATOM 0 HE1 HIS A 10 -2.876 1.185 -19.630 1.00 34.01 H new ATOM 0 HE2 HIS A 10 -1.625 -0.835 -18.729 1.00 53.14 H new ATOM 164 N MET A 11 2.611 5.565 -17.508 1.00 2.22 N ATOM 165 CA MET A 11 3.772 6.433 -17.253 1.00 34.13 C ATOM 166 C MET A 11 3.591 7.261 -15.963 1.00 61.31 C ATOM 167 O MET A 11 4.538 7.469 -15.205 1.00 61.52 O ATOM 168 CB MET A 11 4.003 7.367 -18.454 1.00 24.44 C ATOM 169 CG MET A 11 2.865 8.354 -18.704 1.00 12.30 C ATOM 170 SD MET A 11 3.105 9.337 -20.199 1.00 2.21 S ATOM 171 CE MET A 11 2.988 8.078 -21.468 1.00 20.21 C ATOM 0 H MET A 11 1.936 5.953 -18.167 1.00 2.22 H new ATOM 0 HA MET A 11 4.644 5.794 -17.117 1.00 34.13 H new ATOM 0 HB2 MET A 11 4.925 7.925 -18.294 1.00 24.44 H new ATOM 0 HB3 MET A 11 4.148 6.762 -19.349 1.00 24.44 H new ATOM 0 HG2 MET A 11 1.926 7.806 -18.782 1.00 12.30 H new ATOM 0 HG3 MET A 11 2.774 9.021 -17.847 1.00 12.30 H new ATOM 0 HE1 MET A 11 2.761 8.547 -22.426 1.00 20.21 H new ATOM 0 HE2 MET A 11 3.936 7.545 -21.540 1.00 20.21 H new ATOM 0 HE3 MET A 11 2.196 7.375 -21.211 1.00 20.21 H new ATOM 181 N ASN A 12 2.357 7.710 -15.712 1.00 5.40 N ATOM 182 CA ASN A 12 2.046 8.559 -14.550 1.00 22.22 C ATOM 183 C ASN A 12 1.754 7.708 -13.295 1.00 21.22 C ATOM 184 O ASN A 12 1.370 8.235 -12.247 1.00 5.20 O ATOM 185 CB ASN A 12 0.827 9.440 -14.882 1.00 5.54 C ATOM 186 CG ASN A 12 0.630 10.598 -13.916 1.00 20.43 C ATOM 187 OD1 ASN A 12 -0.494 10.949 -13.567 1.00 40.13 O ATOM 188 ND2 ASN A 12 1.710 11.234 -13.510 1.00 1.52 N ATOM 0 H ASN A 12 1.551 7.500 -16.300 1.00 5.40 H new ATOM 0 HA ASN A 12 2.912 9.185 -14.334 1.00 22.22 H new ATOM 0 HB2 ASN A 12 0.939 9.835 -15.892 1.00 5.54 H new ATOM 0 HB3 ASN A 12 -0.070 8.820 -14.880 1.00 5.54 H new ATOM 0 HD21 ASN A 12 1.625 12.040 -12.890 1.00 1.52 H new ATOM 0 HD22 ASN A 12 2.631 10.921 -13.815 1.00 1.52 H new ATOM 195 N SER A 13 1.968 6.394 -13.410 1.00 24.41 N ATOM 196 CA SER A 13 1.588 5.425 -12.365 1.00 22.30 C ATOM 197 C SER A 13 2.092 5.814 -10.968 1.00 10.23 C ATOM 198 O SER A 13 1.303 5.955 -10.034 1.00 43.35 O ATOM 199 CB SER A 13 2.121 4.029 -12.718 1.00 64.35 C ATOM 200 OG SER A 13 1.666 3.604 -13.993 1.00 62.32 O ATOM 0 H SER A 13 2.408 5.968 -14.226 1.00 24.41 H new ATOM 0 HA SER A 13 0.499 5.424 -12.332 1.00 22.30 H new ATOM 0 HB2 SER A 13 3.211 4.041 -12.705 1.00 64.35 H new ATOM 0 HB3 SER A 13 1.801 3.314 -11.960 1.00 64.35 H new ATOM 0 HG SER A 13 2.411 3.625 -14.630 1.00 62.32 H new ATOM 206 N ALA A 14 3.402 5.990 -10.821 1.00 32.44 N ATOM 207 CA ALA A 14 3.982 6.328 -9.516 1.00 64.31 C ATOM 208 C ALA A 14 3.613 7.751 -9.080 1.00 11.44 C ATOM 209 O ALA A 14 3.233 7.974 -7.930 1.00 64.03 O ATOM 210 CB ALA A 14 5.494 6.161 -9.549 1.00 63.22 C ATOM 0 H ALA A 14 4.080 5.906 -11.578 1.00 32.44 H new ATOM 0 HA ALA A 14 3.563 5.639 -8.782 1.00 64.31 H new ATOM 0 HB1 ALA A 14 5.910 6.415 -8.574 1.00 63.22 H new ATOM 0 HB2 ALA A 14 5.741 5.127 -9.790 1.00 63.22 H new ATOM 0 HB3 ALA A 14 5.916 6.821 -10.307 1.00 63.22 H new ATOM 216 N GLU A 15 3.709 8.702 -10.009 1.00 62.42 N ATOM 217 CA GLU A 15 3.442 10.116 -9.710 1.00 30.32 C ATOM 218 C GLU A 15 2.060 10.318 -9.061 1.00 30.14 C ATOM 219 O GLU A 15 1.944 10.976 -8.024 1.00 14.34 O ATOM 220 CB GLU A 15 3.543 10.965 -10.985 1.00 22.24 C ATOM 221 CG GLU A 15 4.887 10.860 -11.705 1.00 24.43 C ATOM 222 CD GLU A 15 4.999 11.820 -12.883 1.00 43.41 C ATOM 223 OE1 GLU A 15 4.532 11.477 -13.991 1.00 73.51 O ATOM 224 OE2 GLU A 15 5.545 12.931 -12.700 1.00 44.44 O ATOM 0 H GLU A 15 3.970 8.522 -10.978 1.00 62.42 H new ATOM 0 HA GLU A 15 4.199 10.440 -8.996 1.00 30.32 H new ATOM 0 HB2 GLU A 15 2.752 10.664 -11.672 1.00 22.24 H new ATOM 0 HB3 GLU A 15 3.362 12.009 -10.728 1.00 22.24 H new ATOM 0 HG2 GLU A 15 5.691 11.064 -10.997 1.00 24.43 H new ATOM 0 HG3 GLU A 15 5.026 9.839 -12.059 1.00 24.43 H new ATOM 231 N GLN A 16 1.019 9.747 -9.671 1.00 22.01 N ATOM 232 CA GLN A 16 -0.344 9.872 -9.140 1.00 22.33 C ATOM 233 C GLN A 16 -0.490 9.152 -7.787 1.00 55.20 C ATOM 234 O GLN A 16 -1.144 9.657 -6.874 1.00 52.23 O ATOM 235 CB GLN A 16 -1.376 9.327 -10.148 1.00 75.03 C ATOM 236 CG GLN A 16 -1.304 7.820 -10.378 1.00 63.54 C ATOM 237 CD GLN A 16 -2.372 7.315 -11.337 1.00 64.01 C ATOM 238 OE1 GLN A 16 -3.465 7.869 -11.425 1.00 3.14 O ATOM 239 NE2 GLN A 16 -2.067 6.254 -12.057 1.00 4.33 N ATOM 0 H GLN A 16 1.090 9.197 -10.527 1.00 22.01 H new ATOM 0 HA GLN A 16 -0.536 10.933 -8.980 1.00 22.33 H new ATOM 0 HB2 GLN A 16 -2.376 9.580 -9.797 1.00 75.03 H new ATOM 0 HB3 GLN A 16 -1.235 9.834 -11.102 1.00 75.03 H new ATOM 0 HG2 GLN A 16 -0.320 7.564 -10.771 1.00 63.54 H new ATOM 0 HG3 GLN A 16 -1.409 7.306 -9.422 1.00 63.54 H new ATOM 0 HE21 GLN A 16 -1.150 5.818 -11.960 1.00 4.33 H new ATOM 0 HE22 GLN A 16 -2.748 5.869 -12.712 1.00 4.33 H new ATOM 248 N THR A 17 0.146 7.986 -7.657 1.00 72.13 N ATOM 249 CA THR A 17 0.049 7.171 -6.435 1.00 74.12 C ATOM 250 C THR A 17 0.643 7.886 -5.214 1.00 72.13 C ATOM 251 O THR A 17 0.048 7.880 -4.136 1.00 10.15 O ATOM 252 CB THR A 17 0.750 5.801 -6.609 1.00 34.24 C ATOM 253 OG1 THR A 17 0.152 5.077 -7.693 1.00 63.12 O ATOM 254 CG2 THR A 17 0.660 4.965 -5.334 1.00 12.21 C ATOM 0 H THR A 17 0.737 7.580 -8.383 1.00 72.13 H new ATOM 0 HA THR A 17 -1.015 7.012 -6.262 1.00 74.12 H new ATOM 0 HB THR A 17 1.801 5.991 -6.826 1.00 34.24 H new ATOM 0 HG1 THR A 17 0.640 5.266 -8.521 1.00 63.12 H new ATOM 0 HG21 THR A 17 1.161 4.010 -5.489 1.00 12.21 H new ATOM 0 HG22 THR A 17 1.141 5.499 -4.514 1.00 12.21 H new ATOM 0 HG23 THR A 17 -0.387 4.789 -5.087 1.00 12.21 H new ATOM 262 N VAL A 18 1.816 8.501 -5.382 1.00 43.12 N ATOM 263 CA VAL A 18 2.469 9.231 -4.285 1.00 63.15 C ATOM 264 C VAL A 18 1.521 10.276 -3.669 1.00 31.12 C ATOM 265 O VAL A 18 1.212 10.226 -2.477 1.00 74.15 O ATOM 266 CB VAL A 18 3.771 9.933 -4.758 1.00 71.00 C ATOM 267 CG1 VAL A 18 4.418 10.719 -3.616 1.00 23.00 C ATOM 268 CG2 VAL A 18 4.756 8.918 -5.339 1.00 42.44 C ATOM 0 H VAL A 18 2.333 8.510 -6.261 1.00 43.12 H new ATOM 0 HA VAL A 18 2.727 8.492 -3.527 1.00 63.15 H new ATOM 0 HB VAL A 18 3.503 10.639 -5.544 1.00 71.00 H new ATOM 0 HG11 VAL A 18 5.328 11.200 -3.975 1.00 23.00 H new ATOM 0 HG12 VAL A 18 3.723 11.478 -3.257 1.00 23.00 H new ATOM 0 HG13 VAL A 18 4.665 10.039 -2.801 1.00 23.00 H new ATOM 0 HG21 VAL A 18 5.660 9.433 -5.664 1.00 42.44 H new ATOM 0 HG22 VAL A 18 5.011 8.182 -4.577 1.00 42.44 H new ATOM 0 HG23 VAL A 18 4.299 8.415 -6.191 1.00 42.44 H new ATOM 278 N THR A 19 1.046 11.207 -4.496 1.00 30.51 N ATOM 279 CA THR A 19 0.117 12.253 -4.039 1.00 22.32 C ATOM 280 C THR A 19 -1.213 11.649 -3.561 1.00 14.14 C ATOM 281 O THR A 19 -1.864 12.185 -2.662 1.00 21.01 O ATOM 282 CB THR A 19 -0.164 13.296 -5.153 1.00 4.24 C ATOM 283 OG1 THR A 19 1.074 13.857 -5.620 1.00 44.24 O ATOM 284 CG2 THR A 19 -1.068 14.422 -4.652 1.00 73.51 C ATOM 0 H THR A 19 1.286 11.263 -5.486 1.00 30.51 H new ATOM 0 HA THR A 19 0.601 12.756 -3.202 1.00 22.32 H new ATOM 0 HB THR A 19 -0.674 12.782 -5.968 1.00 4.24 H new ATOM 0 HG1 THR A 19 0.891 14.513 -6.324 1.00 44.24 H new ATOM 0 HG21 THR A 19 -1.243 15.134 -5.459 1.00 73.51 H new ATOM 0 HG22 THR A 19 -2.020 14.005 -4.322 1.00 73.51 H new ATOM 0 HG23 THR A 19 -0.586 14.931 -3.817 1.00 73.51 H new ATOM 292 N TRP A 20 -1.604 10.523 -4.159 1.00 53.42 N ATOM 293 CA TRP A 20 -2.827 9.809 -3.766 1.00 23.24 C ATOM 294 C TRP A 20 -2.754 9.328 -2.304 1.00 61.02 C ATOM 295 O TRP A 20 -3.707 9.484 -1.538 1.00 72.30 O ATOM 296 CB TRP A 20 -3.060 8.624 -4.716 1.00 33.34 C ATOM 297 CG TRP A 20 -4.282 7.804 -4.409 1.00 0.32 C ATOM 298 CD1 TRP A 20 -5.569 8.249 -4.275 1.00 4.13 C ATOM 299 CD2 TRP A 20 -4.327 6.384 -4.225 1.00 41.23 C ATOM 300 NE1 TRP A 20 -6.406 7.190 -4.012 1.00 62.40 N ATOM 301 CE2 TRP A 20 -5.667 6.037 -3.971 1.00 40.34 C ATOM 302 CE3 TRP A 20 -3.359 5.374 -4.240 1.00 54.51 C ATOM 303 CZ2 TRP A 20 -6.065 4.723 -3.745 1.00 44.45 C ATOM 304 CZ3 TRP A 20 -3.756 4.069 -4.014 1.00 3.53 C ATOM 305 CH2 TRP A 20 -5.097 3.755 -3.766 1.00 13.42 C ATOM 0 H TRP A 20 -1.091 10.081 -4.922 1.00 53.42 H new ATOM 0 HA TRP A 20 -3.668 10.499 -3.839 1.00 23.24 H new ATOM 0 HB2 TRP A 20 -3.140 9.003 -5.735 1.00 33.34 H new ATOM 0 HB3 TRP A 20 -2.186 7.974 -4.685 1.00 33.34 H new ATOM 0 HD1 TRP A 20 -5.881 9.279 -4.363 1.00 4.13 H new ATOM 0 HE1 TRP A 20 -7.414 7.253 -3.870 1.00 62.40 H new ATOM 0 HE3 TRP A 20 -2.321 5.609 -4.425 1.00 54.51 H new ATOM 0 HZ2 TRP A 20 -7.100 4.476 -3.560 1.00 44.45 H new ATOM 0 HZ3 TRP A 20 -3.019 3.279 -4.029 1.00 3.53 H new ATOM 0 HH2 TRP A 20 -5.374 2.727 -3.587 1.00 13.42 H new ATOM 316 N LEU A 21 -1.614 8.762 -1.915 1.00 22.54 N ATOM 317 CA LEU A 21 -1.403 8.318 -0.529 1.00 12.53 C ATOM 318 C LEU A 21 -1.365 9.512 0.444 1.00 53.13 C ATOM 319 O LEU A 21 -1.808 9.415 1.593 1.00 64.40 O ATOM 320 CB LEU A 21 -0.101 7.511 -0.428 1.00 42.34 C ATOM 321 CG LEU A 21 -0.053 6.236 -1.288 1.00 63.10 C ATOM 322 CD1 LEU A 21 1.290 5.525 -1.130 1.00 24.31 C ATOM 323 CD2 LEU A 21 -1.207 5.300 -0.935 1.00 71.42 C ATOM 0 H LEU A 21 -0.820 8.598 -2.534 1.00 22.54 H new ATOM 0 HA LEU A 21 -2.243 7.683 -0.247 1.00 12.53 H new ATOM 0 HB2 LEU A 21 0.730 8.155 -0.715 1.00 42.34 H new ATOM 0 HB3 LEU A 21 0.056 7.233 0.614 1.00 42.34 H new ATOM 0 HG LEU A 21 -0.161 6.528 -2.333 1.00 63.10 H new ATOM 0 HD11 LEU A 21 1.301 4.627 -1.747 1.00 24.31 H new ATOM 0 HD12 LEU A 21 2.093 6.191 -1.445 1.00 24.31 H new ATOM 0 HD13 LEU A 21 1.435 5.249 -0.085 1.00 24.31 H new ATOM 0 HD21 LEU A 21 -1.153 4.405 -1.555 1.00 71.42 H new ATOM 0 HD22 LEU A 21 -1.138 5.018 0.116 1.00 71.42 H new ATOM 0 HD23 LEU A 21 -2.155 5.808 -1.113 1.00 71.42 H new ATOM 335 N ILE A 22 -0.839 10.640 -0.031 1.00 71.04 N ATOM 336 CA ILE A 22 -0.765 11.866 0.774 1.00 25.25 C ATOM 337 C ILE A 22 -2.153 12.502 0.974 1.00 13.11 C ATOM 338 O ILE A 22 -2.529 12.855 2.092 1.00 62.51 O ATOM 339 CB ILE A 22 0.184 12.902 0.117 1.00 41.52 C ATOM 340 CG1 ILE A 22 1.590 12.301 -0.062 1.00 31.24 C ATOM 341 CG2 ILE A 22 0.245 14.186 0.949 1.00 74.01 C ATOM 342 CD1 ILE A 22 2.549 13.203 -0.814 1.00 13.31 C ATOM 0 H ILE A 22 -0.456 10.734 -0.972 1.00 71.04 H new ATOM 0 HA ILE A 22 -0.371 11.581 1.750 1.00 25.25 H new ATOM 0 HB ILE A 22 -0.211 13.156 -0.867 1.00 41.52 H new ATOM 0 HG12 ILE A 22 2.008 12.080 0.920 1.00 31.24 H new ATOM 0 HG13 ILE A 22 1.505 11.353 -0.593 1.00 31.24 H new ATOM 0 HG21 ILE A 22 0.916 14.899 0.470 1.00 74.01 H new ATOM 0 HG22 ILE A 22 -0.752 14.620 1.022 1.00 74.01 H new ATOM 0 HG23 ILE A 22 0.614 13.955 1.948 1.00 74.01 H new ATOM 0 HD11 ILE A 22 3.518 12.712 -0.901 1.00 13.31 H new ATOM 0 HD12 ILE A 22 2.154 13.404 -1.810 1.00 13.31 H new ATOM 0 HD13 ILE A 22 2.665 14.142 -0.273 1.00 13.31 H new ATOM 354 N THR A 23 -2.920 12.628 -0.111 1.00 30.35 N ATOM 355 CA THR A 23 -4.240 13.284 -0.065 1.00 75.13 C ATOM 356 C THR A 23 -5.254 12.484 0.773 1.00 73.42 C ATOM 357 O THR A 23 -6.205 13.046 1.321 1.00 72.23 O ATOM 358 CB THR A 23 -4.819 13.517 -1.486 1.00 65.43 C ATOM 359 OG1 THR A 23 -6.010 14.317 -1.413 1.00 53.22 O ATOM 360 CG2 THR A 23 -5.140 12.199 -2.186 1.00 42.14 C ATOM 0 H THR A 23 -2.655 12.286 -1.035 1.00 30.35 H new ATOM 0 HA THR A 23 -4.078 14.250 0.413 1.00 75.13 H new ATOM 0 HB THR A 23 -4.058 14.039 -2.066 1.00 65.43 H new ATOM 0 HG1 THR A 23 -6.365 14.458 -2.315 1.00 53.22 H new ATOM 0 HG21 THR A 23 -5.543 12.403 -3.178 1.00 42.14 H new ATOM 0 HG22 THR A 23 -4.231 11.605 -2.279 1.00 42.14 H new ATOM 0 HG23 THR A 23 -5.876 11.646 -1.602 1.00 42.14 H new ATOM 368 N LEU A 24 -5.045 11.166 0.867 1.00 63.54 N ATOM 369 CA LEU A 24 -5.895 10.297 1.698 1.00 23.03 C ATOM 370 C LEU A 24 -5.470 10.321 3.178 1.00 42.31 C ATOM 371 O LEU A 24 -6.120 9.707 4.025 1.00 22.32 O ATOM 372 CB LEU A 24 -5.860 8.855 1.170 1.00 42.35 C ATOM 373 CG LEU A 24 -6.582 8.628 -0.169 1.00 51.45 C ATOM 374 CD1 LEU A 24 -6.348 7.204 -0.665 1.00 61.02 C ATOM 375 CD2 LEU A 24 -8.079 8.908 -0.031 1.00 34.10 C ATOM 0 H LEU A 24 -4.296 10.675 0.379 1.00 63.54 H new ATOM 0 HA LEU A 24 -6.912 10.684 1.637 1.00 23.03 H new ATOM 0 HB2 LEU A 24 -4.819 8.551 1.059 1.00 42.35 H new ATOM 0 HB3 LEU A 24 -6.305 8.200 1.919 1.00 42.35 H new ATOM 0 HG LEU A 24 -6.171 9.323 -0.902 1.00 51.45 H new ATOM 0 HD11 LEU A 24 -6.865 7.059 -1.613 1.00 61.02 H new ATOM 0 HD12 LEU A 24 -5.280 7.039 -0.806 1.00 61.02 H new ATOM 0 HD13 LEU A 24 -6.731 6.495 0.069 1.00 61.02 H new ATOM 0 HD21 LEU A 24 -8.570 8.741 -0.990 1.00 34.10 H new ATOM 0 HD22 LEU A 24 -8.507 8.240 0.717 1.00 34.10 H new ATOM 0 HD23 LEU A 24 -8.229 9.942 0.278 1.00 34.10 H new ATOM 387 N GLY A 25 -4.378 11.023 3.477 1.00 74.41 N ATOM 388 CA GLY A 25 -3.905 11.141 4.856 1.00 43.23 C ATOM 389 C GLY A 25 -3.427 9.821 5.456 1.00 41.03 C ATOM 390 O GLY A 25 -3.638 9.553 6.643 1.00 4.13 O ATOM 0 H GLY A 25 -3.808 11.515 2.789 1.00 74.41 H new ATOM 0 HA2 GLY A 25 -3.088 11.862 4.890 1.00 43.23 H new ATOM 0 HA3 GLY A 25 -4.709 11.541 5.474 1.00 43.23 H new ATOM 394 N VAL A 26 -2.792 8.984 4.635 1.00 11.54 N ATOM 395 CA VAL A 26 -2.249 7.702 5.106 1.00 64.42 C ATOM 396 C VAL A 26 -0.711 7.687 5.054 1.00 12.43 C ATOM 397 O VAL A 26 -0.060 6.891 5.736 1.00 31.25 O ATOM 398 CB VAL A 26 -2.809 6.510 4.284 1.00 62.23 C ATOM 399 CG1 VAL A 26 -4.337 6.478 4.357 1.00 21.53 C ATOM 400 CG2 VAL A 26 -2.331 6.564 2.831 1.00 73.54 C ATOM 0 H VAL A 26 -2.639 9.167 3.643 1.00 11.54 H new ATOM 0 HA VAL A 26 -2.565 7.591 6.143 1.00 64.42 H new ATOM 0 HB VAL A 26 -2.425 5.589 4.722 1.00 62.23 H new ATOM 0 HG11 VAL A 26 -4.712 5.636 3.775 1.00 21.53 H new ATOM 0 HG12 VAL A 26 -4.649 6.369 5.396 1.00 21.53 H new ATOM 0 HG13 VAL A 26 -4.740 7.406 3.953 1.00 21.53 H new ATOM 0 HG21 VAL A 26 -2.740 5.716 2.282 1.00 73.54 H new ATOM 0 HG22 VAL A 26 -2.670 7.492 2.371 1.00 73.54 H new ATOM 0 HG23 VAL A 26 -1.242 6.522 2.804 1.00 73.54 H new ATOM 410 N LEU A 27 -0.141 8.580 4.249 1.00 43.21 N ATOM 411 CA LEU A 27 1.316 8.699 4.112 1.00 30.11 C ATOM 412 C LEU A 27 1.773 10.137 4.417 1.00 12.13 C ATOM 413 O LEU A 27 1.012 11.092 4.231 1.00 71.20 O ATOM 414 CB LEU A 27 1.738 8.295 2.688 1.00 42.44 C ATOM 415 CG LEU A 27 3.254 8.279 2.413 1.00 10.01 C ATOM 416 CD1 LEU A 27 3.969 7.292 3.332 1.00 41.12 C ATOM 417 CD2 LEU A 27 3.531 7.948 0.946 1.00 41.12 C ATOM 0 H LEU A 27 -0.668 9.239 3.675 1.00 43.21 H new ATOM 0 HA LEU A 27 1.793 8.031 4.829 1.00 30.11 H new ATOM 0 HB2 LEU A 27 1.340 7.302 2.480 1.00 42.44 H new ATOM 0 HB3 LEU A 27 1.268 8.980 1.983 1.00 42.44 H new ATOM 0 HG LEU A 27 3.645 9.275 2.622 1.00 10.01 H new ATOM 0 HD11 LEU A 27 5.037 7.302 3.116 1.00 41.12 H new ATOM 0 HD12 LEU A 27 3.807 7.579 4.371 1.00 41.12 H new ATOM 0 HD13 LEU A 27 3.574 6.289 3.167 1.00 41.12 H new ATOM 0 HD21 LEU A 27 4.607 7.941 0.771 1.00 41.12 H new ATOM 0 HD22 LEU A 27 3.119 6.967 0.710 1.00 41.12 H new ATOM 0 HD23 LEU A 27 3.065 8.700 0.309 1.00 41.12 H new ATOM 429 N GLU A 28 3.003 10.288 4.906 1.00 24.23 N ATOM 430 CA GLU A 28 3.563 11.617 5.187 1.00 35.13 C ATOM 431 C GLU A 28 4.014 12.320 3.897 1.00 71.10 C ATOM 432 O GLU A 28 4.359 11.671 2.909 1.00 13.22 O ATOM 433 CB GLU A 28 4.741 11.512 6.169 1.00 61.24 C ATOM 434 CG GLU A 28 5.935 10.721 5.636 1.00 14.43 C ATOM 435 CD GLU A 28 7.098 10.688 6.616 1.00 51.53 C ATOM 436 OE1 GLU A 28 7.914 11.636 6.613 1.00 12.12 O ATOM 437 OE2 GLU A 28 7.191 9.723 7.405 1.00 71.45 O ATOM 0 H GLU A 28 3.631 9.513 5.116 1.00 24.23 H new ATOM 0 HA GLU A 28 2.774 12.216 5.642 1.00 35.13 H new ATOM 0 HB2 GLU A 28 5.073 12.517 6.429 1.00 61.24 H new ATOM 0 HB3 GLU A 28 4.391 11.044 7.089 1.00 61.24 H new ATOM 0 HG2 GLU A 28 5.621 9.701 5.416 1.00 14.43 H new ATOM 0 HG3 GLU A 28 6.268 11.162 4.697 1.00 14.43 H new ATOM 444 N SER A 29 4.001 13.650 3.912 1.00 64.11 N ATOM 445 CA SER A 29 4.406 14.439 2.741 1.00 72.51 C ATOM 446 C SER A 29 5.934 14.594 2.667 1.00 70.21 C ATOM 447 O SER A 29 6.598 14.796 3.688 1.00 4.10 O ATOM 448 CB SER A 29 3.748 15.827 2.774 1.00 44.11 C ATOM 449 OG SER A 29 4.117 16.605 1.641 1.00 0.21 O ATOM 0 H SER A 29 3.716 14.207 4.717 1.00 64.11 H new ATOM 0 HA SER A 29 4.072 13.901 1.854 1.00 72.51 H new ATOM 0 HB2 SER A 29 2.664 15.717 2.804 1.00 44.11 H new ATOM 0 HB3 SER A 29 4.040 16.348 3.686 1.00 44.11 H new ATOM 0 HG SER A 29 3.681 17.481 1.690 1.00 0.21 H new ATOM 455 N PRO A 30 6.521 14.497 1.459 1.00 24.42 N ATOM 456 CA PRO A 30 7.969 14.675 1.268 1.00 62.14 C ATOM 457 C PRO A 30 8.441 16.086 1.654 1.00 22.54 C ATOM 458 O PRO A 30 7.821 17.085 1.282 1.00 23.34 O ATOM 459 CB PRO A 30 8.169 14.429 -0.237 1.00 70.20 C ATOM 460 CG PRO A 30 6.826 14.663 -0.843 1.00 45.23 C ATOM 461 CD PRO A 30 5.832 14.207 0.187 1.00 14.01 C ATOM 0 HA PRO A 30 8.548 14.001 1.900 1.00 62.14 H new ATOM 0 HB2 PRO A 30 8.914 15.107 -0.653 1.00 70.20 H new ATOM 0 HB3 PRO A 30 8.518 13.415 -0.429 1.00 70.20 H new ATOM 0 HG2 PRO A 30 6.684 15.716 -1.086 1.00 45.23 H new ATOM 0 HG3 PRO A 30 6.712 14.104 -1.772 1.00 45.23 H new ATOM 0 HD2 PRO A 30 4.889 14.747 0.106 1.00 14.01 H new ATOM 0 HD3 PRO A 30 5.602 13.147 0.085 1.00 14.01 H new ATOM 469 N LYS A 31 9.543 16.165 2.395 1.00 23.15 N ATOM 470 CA LYS A 31 10.079 17.456 2.848 1.00 61.32 C ATOM 471 C LYS A 31 10.806 18.205 1.711 1.00 40.12 C ATOM 472 O LYS A 31 11.256 19.339 1.887 1.00 3.54 O ATOM 473 CB LYS A 31 11.001 17.246 4.065 1.00 1.31 C ATOM 474 CG LYS A 31 10.301 17.436 5.418 1.00 5.41 C ATOM 475 CD LYS A 31 9.032 16.583 5.573 1.00 51.41 C ATOM 476 CE LYS A 31 9.335 15.089 5.682 1.00 42.15 C ATOM 477 NZ LYS A 31 8.102 14.284 5.920 1.00 41.32 N ATOM 0 H LYS A 31 10.085 15.355 2.697 1.00 23.15 H new ATOM 0 HA LYS A 31 9.242 18.085 3.151 1.00 61.32 H new ATOM 0 HB2 LYS A 31 11.419 16.240 4.022 1.00 1.31 H new ATOM 0 HB3 LYS A 31 11.837 17.942 3.999 1.00 1.31 H new ATOM 0 HG2 LYS A 31 10.998 17.186 6.218 1.00 5.41 H new ATOM 0 HG3 LYS A 31 10.040 18.487 5.540 1.00 5.41 H new ATOM 0 HD2 LYS A 31 8.489 16.905 6.462 1.00 51.41 H new ATOM 0 HD3 LYS A 31 8.377 16.755 4.719 1.00 51.41 H new ATOM 0 HE2 LYS A 31 9.818 14.749 4.766 1.00 42.15 H new ATOM 0 HE3 LYS A 31 10.040 14.921 6.496 1.00 42.15 H new ATOM 0 HZ1 LYS A 31 8.365 13.347 6.286 1.00 41.32 H new ATOM 0 HZ2 LYS A 31 7.499 14.770 6.614 1.00 41.32 H new ATOM 0 HZ3 LYS A 31 7.582 14.173 5.026 1.00 41.32 H new ATOM 491 N LYS A 32 10.921 17.557 0.554 1.00 31.12 N ATOM 492 CA LYS A 32 11.418 18.199 -0.670 1.00 40.40 C ATOM 493 C LYS A 32 10.933 17.437 -1.914 1.00 33.23 C ATOM 494 O LYS A 32 10.370 16.345 -1.800 1.00 0.40 O ATOM 495 CB LYS A 32 12.952 18.294 -0.675 1.00 32.33 C ATOM 496 CG LYS A 32 13.664 16.950 -0.528 1.00 25.10 C ATOM 497 CD LYS A 32 15.161 17.055 -0.806 1.00 64.24 C ATOM 498 CE LYS A 32 15.838 18.109 0.065 1.00 11.22 C ATOM 499 NZ LYS A 32 17.302 18.187 -0.198 1.00 34.02 N ATOM 0 H LYS A 32 10.674 16.575 0.434 1.00 31.12 H new ATOM 0 HA LYS A 32 11.017 19.212 -0.694 1.00 40.40 H new ATOM 0 HB2 LYS A 32 13.273 18.762 -1.606 1.00 32.33 H new ATOM 0 HB3 LYS A 32 13.267 18.950 0.137 1.00 32.33 H new ATOM 0 HG2 LYS A 32 13.510 16.568 0.481 1.00 25.10 H new ATOM 0 HG3 LYS A 32 13.219 16.229 -1.213 1.00 25.10 H new ATOM 0 HD2 LYS A 32 15.630 16.087 -0.631 1.00 64.24 H new ATOM 0 HD3 LYS A 32 15.317 17.300 -1.857 1.00 64.24 H new ATOM 0 HE2 LYS A 32 15.383 19.082 -0.122 1.00 11.22 H new ATOM 0 HE3 LYS A 32 15.670 17.875 1.116 1.00 11.22 H new ATOM 0 HZ1 LYS A 32 17.726 18.914 0.413 1.00 34.02 H new ATOM 0 HZ2 LYS A 32 17.741 17.266 0.004 1.00 34.02 H new ATOM 0 HZ3 LYS A 32 17.463 18.436 -1.195 1.00 34.02 H new ATOM 513 N THR A 33 11.166 18.016 -3.094 1.00 10.02 N ATOM 514 CA THR A 33 10.723 17.427 -4.370 1.00 72.34 C ATOM 515 C THR A 33 11.130 15.953 -4.508 1.00 3.23 C ATOM 516 O THR A 33 12.280 15.587 -4.257 1.00 24.03 O ATOM 517 CB THR A 33 11.298 18.207 -5.578 1.00 52.24 C ATOM 518 OG1 THR A 33 11.035 19.612 -5.424 1.00 42.10 O ATOM 519 CG2 THR A 33 10.702 17.720 -6.899 1.00 2.45 C ATOM 0 H THR A 33 11.663 18.901 -3.197 1.00 10.02 H new ATOM 0 HA THR A 33 9.635 17.493 -4.365 1.00 72.34 H new ATOM 0 HB THR A 33 12.373 18.030 -5.604 1.00 52.24 H new ATOM 0 HG1 THR A 33 11.403 20.100 -6.190 1.00 42.10 H new ATOM 0 HG21 THR A 33 11.129 18.291 -7.723 1.00 2.45 H new ATOM 0 HG22 THR A 33 10.930 16.663 -7.033 1.00 2.45 H new ATOM 0 HG23 THR A 33 9.621 17.859 -6.884 1.00 2.45 H new ATOM 527 N ILE A 34 10.179 15.118 -4.922 1.00 13.23 N ATOM 528 CA ILE A 34 10.425 13.685 -5.123 1.00 13.32 C ATOM 529 C ILE A 34 11.448 13.433 -6.245 1.00 10.14 C ATOM 530 O ILE A 34 11.222 13.793 -7.403 1.00 2.25 O ATOM 531 CB ILE A 34 9.108 12.931 -5.457 1.00 22.22 C ATOM 532 CG1 ILE A 34 8.129 12.994 -4.270 1.00 45.25 C ATOM 533 CG2 ILE A 34 9.389 11.477 -5.845 1.00 14.04 C ATOM 534 CD1 ILE A 34 8.616 12.266 -3.031 1.00 44.33 C ATOM 0 H ILE A 34 9.223 15.409 -5.127 1.00 13.23 H new ATOM 0 HA ILE A 34 10.832 13.305 -4.186 1.00 13.32 H new ATOM 0 HB ILE A 34 8.647 13.425 -6.312 1.00 22.22 H new ATOM 0 HG12 ILE A 34 7.947 14.039 -4.017 1.00 45.25 H new ATOM 0 HG13 ILE A 34 7.173 12.569 -4.577 1.00 45.25 H new ATOM 0 HG21 ILE A 34 8.450 10.973 -6.073 1.00 14.04 H new ATOM 0 HG22 ILE A 34 10.036 11.453 -6.722 1.00 14.04 H new ATOM 0 HG23 ILE A 34 9.881 10.968 -5.016 1.00 14.04 H new ATOM 0 HD11 ILE A 34 7.872 12.356 -2.240 1.00 44.33 H new ATOM 0 HD12 ILE A 34 8.771 11.213 -3.265 1.00 44.33 H new ATOM 0 HD13 ILE A 34 9.556 12.705 -2.697 1.00 44.33 H new ATOM 546 N SER A 35 12.574 12.820 -5.893 1.00 42.15 N ATOM 547 CA SER A 35 13.595 12.445 -6.879 1.00 52.22 C ATOM 548 C SER A 35 13.231 11.115 -7.548 1.00 44.34 C ATOM 549 O SER A 35 13.313 10.972 -8.770 1.00 4.12 O ATOM 550 CB SER A 35 14.975 12.315 -6.216 1.00 71.31 C ATOM 551 OG SER A 35 15.366 13.517 -5.565 1.00 53.31 O ATOM 0 H SER A 35 12.807 12.570 -4.932 1.00 42.15 H new ATOM 0 HA SER A 35 13.634 13.232 -7.632 1.00 52.22 H new ATOM 0 HB2 SER A 35 14.955 11.500 -5.492 1.00 71.31 H new ATOM 0 HB3 SER A 35 15.717 12.053 -6.970 1.00 71.31 H new ATOM 0 HG SER A 35 16.247 13.395 -5.154 1.00 53.31 H new ATOM 557 N ASP A 36 12.829 10.144 -6.731 1.00 44.13 N ATOM 558 CA ASP A 36 12.476 8.804 -7.208 1.00 12.40 C ATOM 559 C ASP A 36 11.124 8.358 -6.613 1.00 41.02 C ATOM 560 O ASP A 36 11.054 7.962 -5.446 1.00 20.44 O ATOM 561 CB ASP A 36 13.580 7.813 -6.818 1.00 60.03 C ATOM 562 CG ASP A 36 14.957 8.284 -7.253 1.00 42.53 C ATOM 563 OD1 ASP A 36 15.264 8.210 -8.459 1.00 52.24 O ATOM 564 OD2 ASP A 36 15.740 8.739 -6.387 1.00 54.02 O ATOM 0 H ASP A 36 12.738 10.261 -5.722 1.00 44.13 H new ATOM 0 HA ASP A 36 12.381 8.827 -8.294 1.00 12.40 H new ATOM 0 HB2 ASP A 36 13.572 7.670 -5.737 1.00 60.03 H new ATOM 0 HB3 ASP A 36 13.371 6.843 -7.269 1.00 60.03 H new ATOM 569 N PRO A 37 10.029 8.414 -7.402 1.00 14.34 N ATOM 570 CA PRO A 37 8.677 8.123 -6.895 1.00 24.34 C ATOM 571 C PRO A 37 8.460 6.639 -6.563 1.00 71.41 C ATOM 572 O PRO A 37 7.920 6.307 -5.504 1.00 1.55 O ATOM 573 CB PRO A 37 7.764 8.584 -8.039 1.00 31.04 C ATOM 574 CG PRO A 37 8.603 8.471 -9.266 1.00 73.51 C ATOM 575 CD PRO A 37 10.023 8.747 -8.839 1.00 75.31 C ATOM 0 HA PRO A 37 8.481 8.629 -5.950 1.00 24.34 H new ATOM 0 HB2 PRO A 37 6.873 7.960 -8.110 1.00 31.04 H new ATOM 0 HB3 PRO A 37 7.424 9.608 -7.885 1.00 31.04 H new ATOM 0 HG2 PRO A 37 8.516 7.477 -9.706 1.00 73.51 H new ATOM 0 HG3 PRO A 37 8.280 9.184 -10.024 1.00 73.51 H new ATOM 0 HD2 PRO A 37 10.734 8.135 -9.394 1.00 75.31 H new ATOM 0 HD3 PRO A 37 10.297 9.788 -9.010 1.00 75.31 H new ATOM 583 N GLU A 38 8.889 5.745 -7.457 1.00 21.02 N ATOM 584 CA GLU A 38 8.758 4.301 -7.221 1.00 4.23 C ATOM 585 C GLU A 38 9.570 3.871 -5.990 1.00 14.42 C ATOM 586 O GLU A 38 9.081 3.129 -5.136 1.00 12.43 O ATOM 587 CB GLU A 38 9.209 3.490 -8.451 1.00 42.34 C ATOM 588 CG GLU A 38 8.396 3.755 -9.724 1.00 55.13 C ATOM 589 CD GLU A 38 8.813 5.013 -10.477 1.00 64.41 C ATOM 590 OE1 GLU A 38 9.935 5.518 -10.241 1.00 65.14 O ATOM 591 OE2 GLU A 38 8.023 5.499 -11.314 1.00 25.54 O ATOM 0 H GLU A 38 9.327 5.990 -8.345 1.00 21.02 H new ATOM 0 HA GLU A 38 7.703 4.096 -7.038 1.00 4.23 H new ATOM 0 HB2 GLU A 38 10.257 3.713 -8.652 1.00 42.34 H new ATOM 0 HB3 GLU A 38 9.149 2.428 -8.212 1.00 42.34 H new ATOM 0 HG2 GLU A 38 8.493 2.897 -10.389 1.00 55.13 H new ATOM 0 HG3 GLU A 38 7.342 3.836 -9.459 1.00 55.13 H new ATOM 598 N GLY A 39 10.810 4.352 -5.902 1.00 40.41 N ATOM 599 CA GLY A 39 11.654 4.055 -4.746 1.00 24.32 C ATOM 600 C GLY A 39 11.070 4.586 -3.439 1.00 2.52 C ATOM 601 O GLY A 39 11.116 3.911 -2.408 1.00 1.31 O ATOM 0 H GLY A 39 11.248 4.942 -6.609 1.00 40.41 H new ATOM 0 HA2 GLY A 39 11.789 2.976 -4.667 1.00 24.32 H new ATOM 0 HA3 GLY A 39 12.642 4.489 -4.901 1.00 24.32 H new ATOM 605 N PHE A 40 10.513 5.795 -3.490 1.00 62.12 N ATOM 606 CA PHE A 40 9.849 6.405 -2.332 1.00 54.14 C ATOM 607 C PHE A 40 8.692 5.525 -1.822 1.00 31.43 C ATOM 608 O PHE A 40 8.517 5.344 -0.615 1.00 21.23 O ATOM 609 CB PHE A 40 9.329 7.800 -2.714 1.00 23.30 C ATOM 610 CG PHE A 40 8.620 8.529 -1.597 1.00 32.55 C ATOM 611 CD1 PHE A 40 9.339 9.110 -0.563 1.00 63.04 C ATOM 612 CD2 PHE A 40 7.233 8.636 -1.582 1.00 44.03 C ATOM 613 CE1 PHE A 40 8.696 9.777 0.462 1.00 1.14 C ATOM 614 CE2 PHE A 40 6.586 9.304 -0.559 1.00 31.02 C ATOM 615 CZ PHE A 40 7.318 9.875 0.463 1.00 4.41 C ATOM 0 H PHE A 40 10.507 6.378 -4.327 1.00 62.12 H new ATOM 0 HA PHE A 40 10.576 6.496 -1.525 1.00 54.14 H new ATOM 0 HB2 PHE A 40 10.169 8.407 -3.052 1.00 23.30 H new ATOM 0 HB3 PHE A 40 8.646 7.701 -3.558 1.00 23.30 H new ATOM 0 HD1 PHE A 40 10.417 9.040 -0.559 1.00 63.04 H new ATOM 0 HD2 PHE A 40 6.655 8.192 -2.379 1.00 44.03 H new ATOM 0 HE1 PHE A 40 9.270 10.221 1.262 1.00 1.14 H new ATOM 0 HE2 PHE A 40 5.509 9.379 -0.559 1.00 31.02 H new ATOM 0 HZ PHE A 40 6.814 10.398 1.262 1.00 4.41 H new ATOM 625 N LEU A 41 7.910 4.981 -2.753 1.00 14.14 N ATOM 626 CA LEU A 41 6.788 4.099 -2.408 1.00 64.40 C ATOM 627 C LEU A 41 7.276 2.754 -1.841 1.00 24.41 C ATOM 628 O LEU A 41 6.755 2.271 -0.840 1.00 45.24 O ATOM 629 CB LEU A 41 5.904 3.858 -3.641 1.00 32.44 C ATOM 630 CG LEU A 41 5.251 5.114 -4.242 1.00 3.21 C ATOM 631 CD1 LEU A 41 4.495 4.772 -5.525 1.00 73.12 C ATOM 632 CD2 LEU A 41 4.323 5.778 -3.226 1.00 33.13 C ATOM 0 H LEU A 41 8.030 5.134 -3.754 1.00 14.14 H new ATOM 0 HA LEU A 41 6.203 4.596 -1.634 1.00 64.40 H new ATOM 0 HB2 LEU A 41 6.508 3.379 -4.412 1.00 32.44 H new ATOM 0 HB3 LEU A 41 5.117 3.154 -3.370 1.00 32.44 H new ATOM 0 HG LEU A 41 6.041 5.821 -4.494 1.00 3.21 H new ATOM 0 HD11 LEU A 41 4.042 5.676 -5.932 1.00 73.12 H new ATOM 0 HD12 LEU A 41 5.188 4.353 -6.255 1.00 73.12 H new ATOM 0 HD13 LEU A 41 3.716 4.043 -5.305 1.00 73.12 H new ATOM 0 HD21 LEU A 41 3.871 6.665 -3.671 1.00 33.13 H new ATOM 0 HD22 LEU A 41 3.539 5.078 -2.937 1.00 33.13 H new ATOM 0 HD23 LEU A 41 4.895 6.066 -2.344 1.00 33.13 H new ATOM 644 N GLN A 42 8.283 2.161 -2.479 1.00 41.05 N ATOM 645 CA GLN A 42 8.821 0.859 -2.049 1.00 11.32 C ATOM 646 C GLN A 42 9.267 0.898 -0.576 1.00 14.41 C ATOM 647 O GLN A 42 8.872 0.049 0.224 1.00 31.53 O ATOM 648 CB GLN A 42 9.994 0.451 -2.965 1.00 42.35 C ATOM 649 CG GLN A 42 10.415 -1.025 -2.884 1.00 4.25 C ATOM 650 CD GLN A 42 11.196 -1.385 -1.624 1.00 71.21 C ATOM 651 OE1 GLN A 42 12.410 -1.232 -1.569 1.00 31.34 O ATOM 652 NE2 GLN A 42 10.520 -1.905 -0.619 1.00 4.20 N ATOM 0 H GLN A 42 8.747 2.556 -3.297 1.00 41.05 H new ATOM 0 HA GLN A 42 8.030 0.114 -2.131 1.00 11.32 H new ATOM 0 HB2 GLN A 42 9.722 0.677 -3.996 1.00 42.35 H new ATOM 0 HB3 GLN A 42 10.856 1.071 -2.719 1.00 42.35 H new ATOM 0 HG2 GLN A 42 9.523 -1.649 -2.935 1.00 4.25 H new ATOM 0 HG3 GLN A 42 11.023 -1.266 -3.756 1.00 4.25 H new ATOM 0 HE21 GLN A 42 9.509 -2.022 -0.690 1.00 4.20 H new ATOM 0 HE22 GLN A 42 11.008 -2.191 0.230 1.00 4.20 H new ATOM 661 N ALA A 43 10.077 1.892 -0.227 1.00 61.05 N ATOM 662 CA ALA A 43 10.604 2.021 1.136 1.00 43.14 C ATOM 663 C ALA A 43 9.495 2.287 2.171 1.00 0.10 C ATOM 664 O ALA A 43 9.467 1.669 3.236 1.00 22.35 O ATOM 665 CB ALA A 43 11.646 3.131 1.179 1.00 73.51 C ATOM 0 H ALA A 43 10.386 2.624 -0.867 1.00 61.05 H new ATOM 0 HA ALA A 43 11.066 1.070 1.403 1.00 43.14 H new ATOM 0 HB1 ALA A 43 12.036 3.225 2.193 1.00 73.51 H new ATOM 0 HB2 ALA A 43 12.462 2.891 0.497 1.00 73.51 H new ATOM 0 HB3 ALA A 43 11.187 4.073 0.878 1.00 73.51 H new ATOM 671 N SER A 44 8.580 3.200 1.843 1.00 10.44 N ATOM 672 CA SER A 44 7.509 3.606 2.771 1.00 70.25 C ATOM 673 C SER A 44 6.458 2.501 2.963 1.00 23.42 C ATOM 674 O SER A 44 6.036 2.215 4.086 1.00 62.13 O ATOM 675 CB SER A 44 6.823 4.884 2.264 1.00 32.44 C ATOM 676 OG SER A 44 6.281 4.699 0.964 1.00 70.24 O ATOM 0 H SER A 44 8.554 3.676 0.941 1.00 10.44 H new ATOM 0 HA SER A 44 7.977 3.794 3.737 1.00 70.25 H new ATOM 0 HB2 SER A 44 6.029 5.171 2.954 1.00 32.44 H new ATOM 0 HB3 SER A 44 7.542 5.703 2.247 1.00 32.44 H new ATOM 0 HG SER A 44 6.967 4.895 0.292 1.00 70.24 H new ATOM 682 N LEU A 45 6.038 1.885 1.862 1.00 75.54 N ATOM 683 CA LEU A 45 5.011 0.833 1.899 1.00 11.24 C ATOM 684 C LEU A 45 5.584 -0.518 2.362 1.00 21.43 C ATOM 685 O LEU A 45 4.829 -1.442 2.661 1.00 32.10 O ATOM 686 CB LEU A 45 4.375 0.674 0.509 1.00 74.15 C ATOM 687 CG LEU A 45 3.746 1.948 -0.079 1.00 44.31 C ATOM 688 CD1 LEU A 45 3.237 1.694 -1.495 1.00 14.31 C ATOM 689 CD2 LEU A 45 2.617 2.455 0.813 1.00 25.45 C ATOM 0 H LEU A 45 6.390 2.093 0.928 1.00 75.54 H new ATOM 0 HA LEU A 45 4.255 1.139 2.622 1.00 11.24 H new ATOM 0 HB2 LEU A 45 5.138 0.314 -0.182 1.00 74.15 H new ATOM 0 HB3 LEU A 45 3.607 -0.097 0.566 1.00 74.15 H new ATOM 0 HG LEU A 45 4.517 2.717 -0.124 1.00 44.31 H new ATOM 0 HD11 LEU A 45 2.796 2.608 -1.892 1.00 14.31 H new ATOM 0 HD12 LEU A 45 4.067 1.386 -2.130 1.00 14.31 H new ATOM 0 HD13 LEU A 45 2.484 0.906 -1.475 1.00 14.31 H new ATOM 0 HD21 LEU A 45 2.187 3.357 0.378 1.00 25.45 H new ATOM 0 HD22 LEU A 45 1.846 1.689 0.896 1.00 25.45 H new ATOM 0 HD23 LEU A 45 3.010 2.682 1.804 1.00 25.45 H new ATOM 701 N LYS A 46 6.914 -0.612 2.434 1.00 34.52 N ATOM 702 CA LYS A 46 7.618 -1.866 2.763 1.00 42.20 C ATOM 703 C LYS A 46 7.009 -2.604 3.974 1.00 11.11 C ATOM 704 O LYS A 46 6.744 -3.804 3.914 1.00 12.34 O ATOM 705 CB LYS A 46 9.099 -1.565 3.042 1.00 71.42 C ATOM 706 CG LYS A 46 9.957 -2.809 3.262 1.00 2.45 C ATOM 707 CD LYS A 46 11.407 -2.474 3.623 1.00 23.42 C ATOM 708 CE LYS A 46 11.564 -1.997 5.070 1.00 5.43 C ATOM 709 NZ LYS A 46 10.970 -0.651 5.312 1.00 43.10 N ATOM 0 H LYS A 46 7.539 0.177 2.267 1.00 34.52 H new ATOM 0 HA LYS A 46 7.511 -2.525 1.901 1.00 42.20 H new ATOM 0 HB2 LYS A 46 9.507 -0.998 2.205 1.00 71.42 H new ATOM 0 HB3 LYS A 46 9.169 -0.928 3.923 1.00 71.42 H new ATOM 0 HG2 LYS A 46 9.519 -3.411 4.058 1.00 2.45 H new ATOM 0 HG3 LYS A 46 9.944 -3.418 2.358 1.00 2.45 H new ATOM 0 HD2 LYS A 46 12.028 -3.356 3.467 1.00 23.42 H new ATOM 0 HD3 LYS A 46 11.775 -1.701 2.949 1.00 23.42 H new ATOM 0 HE2 LYS A 46 11.094 -2.720 5.737 1.00 5.43 H new ATOM 0 HE3 LYS A 46 12.624 -1.971 5.324 1.00 5.43 H new ATOM 0 HZ1 LYS A 46 11.558 -0.129 5.992 1.00 43.10 H new ATOM 0 HZ2 LYS A 46 10.927 -0.124 4.416 1.00 43.10 H new ATOM 0 HZ3 LYS A 46 10.010 -0.759 5.696 1.00 43.10 H new ATOM 723 N ASP A 47 6.802 -1.877 5.069 1.00 34.53 N ATOM 724 CA ASP A 47 6.308 -2.467 6.321 1.00 1.31 C ATOM 725 C ASP A 47 4.782 -2.692 6.313 1.00 52.34 C ATOM 726 O ASP A 47 4.211 -3.146 7.306 1.00 40.52 O ATOM 727 CB ASP A 47 6.709 -1.570 7.494 1.00 10.34 C ATOM 728 CG ASP A 47 8.212 -1.351 7.542 1.00 34.10 C ATOM 729 OD1 ASP A 47 8.724 -0.568 6.717 1.00 10.44 O ATOM 730 OD2 ASP A 47 8.889 -1.978 8.387 1.00 10.52 O ATOM 0 H ASP A 47 6.968 -0.872 5.119 1.00 34.53 H new ATOM 0 HA ASP A 47 6.765 -3.451 6.427 1.00 1.31 H new ATOM 0 HB2 ASP A 47 6.203 -0.608 7.407 1.00 10.34 H new ATOM 0 HB3 ASP A 47 6.376 -2.022 8.429 1.00 10.34 H new ATOM 735 N GLY A 48 4.126 -2.356 5.205 1.00 42.04 N ATOM 736 CA GLY A 48 2.696 -2.629 5.050 1.00 25.05 C ATOM 737 C GLY A 48 1.774 -1.646 5.774 1.00 21.22 C ATOM 738 O GLY A 48 0.658 -1.396 5.317 1.00 63.11 O ATOM 0 H GLY A 48 4.558 -1.896 4.403 1.00 42.04 H new ATOM 0 HA2 GLY A 48 2.452 -2.620 3.988 1.00 25.05 H new ATOM 0 HA3 GLY A 48 2.491 -3.635 5.416 1.00 25.05 H new ATOM 742 N VAL A 49 2.237 -1.083 6.893 1.00 75.25 N ATOM 743 CA VAL A 49 1.423 -0.181 7.732 1.00 44.40 C ATOM 744 C VAL A 49 0.664 0.880 6.906 1.00 44.35 C ATOM 745 O VAL A 49 -0.534 1.098 7.108 1.00 41.35 O ATOM 746 CB VAL A 49 2.295 0.541 8.792 1.00 44.24 C ATOM 747 CG1 VAL A 49 1.431 1.391 9.725 1.00 32.23 C ATOM 748 CG2 VAL A 49 3.128 -0.468 9.584 1.00 2.33 C ATOM 0 H VAL A 49 3.181 -1.235 7.247 1.00 75.25 H new ATOM 0 HA VAL A 49 0.690 -0.819 8.226 1.00 44.40 H new ATOM 0 HB VAL A 49 2.979 1.210 8.270 1.00 44.24 H new ATOM 0 HG11 VAL A 49 2.067 1.887 10.459 1.00 32.23 H new ATOM 0 HG12 VAL A 49 0.896 2.141 9.143 1.00 32.23 H new ATOM 0 HG13 VAL A 49 0.714 0.752 10.239 1.00 32.23 H new ATOM 0 HG21 VAL A 49 3.732 0.059 10.322 1.00 2.33 H new ATOM 0 HG22 VAL A 49 2.465 -1.169 10.091 1.00 2.33 H new ATOM 0 HG23 VAL A 49 3.781 -1.014 8.904 1.00 2.33 H new ATOM 758 N VAL A 50 1.364 1.534 5.977 1.00 60.04 N ATOM 759 CA VAL A 50 0.744 2.563 5.126 1.00 45.24 C ATOM 760 C VAL A 50 -0.379 1.969 4.252 1.00 11.52 C ATOM 761 O VAL A 50 -1.417 2.600 4.043 1.00 5.23 O ATOM 762 CB VAL A 50 1.795 3.260 4.222 1.00 10.11 C ATOM 763 CG1 VAL A 50 1.156 4.389 3.410 1.00 51.32 C ATOM 764 CG2 VAL A 50 2.961 3.787 5.058 1.00 72.15 C ATOM 0 H VAL A 50 2.354 1.374 5.792 1.00 60.04 H new ATOM 0 HA VAL A 50 0.311 3.306 5.795 1.00 45.24 H new ATOM 0 HB VAL A 50 2.183 2.520 3.522 1.00 10.11 H new ATOM 0 HG11 VAL A 50 1.914 4.861 2.785 1.00 51.32 H new ATOM 0 HG12 VAL A 50 0.367 3.981 2.778 1.00 51.32 H new ATOM 0 HG13 VAL A 50 0.732 5.130 4.088 1.00 51.32 H new ATOM 0 HG21 VAL A 50 3.687 4.272 4.405 1.00 72.15 H new ATOM 0 HG22 VAL A 50 2.590 4.508 5.787 1.00 72.15 H new ATOM 0 HG23 VAL A 50 3.439 2.958 5.579 1.00 72.15 H new ATOM 774 N LEU A 51 -0.171 0.744 3.759 1.00 33.01 N ATOM 775 CA LEU A 51 -1.192 0.040 2.969 1.00 23.04 C ATOM 776 C LEU A 51 -2.425 -0.278 3.826 1.00 22.31 C ATOM 777 O LEU A 51 -3.563 -0.139 3.376 1.00 5.55 O ATOM 778 CB LEU A 51 -0.625 -1.261 2.381 1.00 63.20 C ATOM 779 CG LEU A 51 0.513 -1.093 1.364 1.00 1.14 C ATOM 780 CD1 LEU A 51 0.999 -2.454 0.874 1.00 14.34 C ATOM 781 CD2 LEU A 51 0.062 -0.228 0.189 1.00 75.41 C ATOM 0 H LEU A 51 0.693 0.218 3.892 1.00 33.01 H new ATOM 0 HA LEU A 51 -1.490 0.699 2.153 1.00 23.04 H new ATOM 0 HB2 LEU A 51 -0.265 -1.882 3.201 1.00 63.20 H new ATOM 0 HB3 LEU A 51 -1.438 -1.806 1.902 1.00 63.20 H new ATOM 0 HG LEU A 51 1.344 -0.590 1.859 1.00 1.14 H new ATOM 0 HD11 LEU A 51 1.805 -2.315 0.154 1.00 14.34 H new ATOM 0 HD12 LEU A 51 1.364 -3.036 1.720 1.00 14.34 H new ATOM 0 HD13 LEU A 51 0.175 -2.985 0.397 1.00 14.34 H new ATOM 0 HD21 LEU A 51 0.883 -0.121 -0.520 1.00 75.41 H new ATOM 0 HD22 LEU A 51 -0.786 -0.701 -0.306 1.00 75.41 H new ATOM 0 HD23 LEU A 51 -0.233 0.756 0.554 1.00 75.41 H new ATOM 793 N CYS A 52 -2.188 -0.709 5.063 1.00 51.31 N ATOM 794 CA CYS A 52 -3.274 -0.973 6.011 1.00 63.13 C ATOM 795 C CYS A 52 -4.147 0.275 6.190 1.00 54.23 C ATOM 796 O CYS A 52 -5.363 0.225 6.019 1.00 60.45 O ATOM 797 CB CYS A 52 -2.705 -1.416 7.364 1.00 14.23 C ATOM 798 SG CYS A 52 -1.549 -2.805 7.255 1.00 72.14 S ATOM 0 H CYS A 52 -1.254 -0.884 5.435 1.00 51.31 H new ATOM 0 HA CYS A 52 -3.892 -1.776 5.610 1.00 63.13 H new ATOM 0 HB2 CYS A 52 -2.198 -0.570 7.828 1.00 14.23 H new ATOM 0 HB3 CYS A 52 -3.530 -1.693 8.021 1.00 14.23 H new ATOM 0 HG CYS A 52 -0.575 -2.497 6.451 1.00 72.14 H new ATOM 804 N ARG A 53 -3.505 1.404 6.507 1.00 62.44 N ATOM 805 CA ARG A 53 -4.203 2.693 6.623 1.00 10.13 C ATOM 806 C ARG A 53 -4.952 3.041 5.329 1.00 34.03 C ATOM 807 O ARG A 53 -6.095 3.503 5.359 1.00 65.35 O ATOM 808 CB ARG A 53 -3.208 3.812 6.940 1.00 3.42 C ATOM 809 CG ARG A 53 -2.495 3.660 8.278 1.00 24.12 C ATOM 810 CD ARG A 53 -1.566 4.837 8.546 1.00 40.14 C ATOM 811 NE ARG A 53 -0.964 4.769 9.875 1.00 21.31 N ATOM 812 CZ ARG A 53 -1.164 5.654 10.813 1.00 12.02 C ATOM 813 NH1 ARG A 53 -1.958 6.660 10.613 1.00 4.44 N ATOM 814 NH2 ARG A 53 -0.569 5.527 11.953 1.00 51.25 N ATOM 0 H ARG A 53 -2.502 1.454 6.688 1.00 62.44 H new ATOM 0 HA ARG A 53 -4.926 2.601 7.434 1.00 10.13 H new ATOM 0 HB2 ARG A 53 -2.461 3.853 6.147 1.00 3.42 H new ATOM 0 HB3 ARG A 53 -3.737 4.765 6.930 1.00 3.42 H new ATOM 0 HG2 ARG A 53 -3.231 3.585 9.078 1.00 24.12 H new ATOM 0 HG3 ARG A 53 -1.922 2.733 8.284 1.00 24.12 H new ATOM 0 HD2 ARG A 53 -0.779 4.856 7.792 1.00 40.14 H new ATOM 0 HD3 ARG A 53 -2.124 5.768 8.448 1.00 40.14 H new ATOM 0 HE ARG A 53 -0.350 3.982 10.083 1.00 21.31 H new ATOM 0 HH11 ARG A 53 -2.433 6.765 9.716 1.00 4.44 H new ATOM 0 HH12 ARG A 53 -2.108 7.346 11.352 1.00 4.44 H new ATOM 0 HH21 ARG A 53 0.055 4.737 12.118 1.00 51.25 H new ATOM 0 HH22 ARG A 53 -0.723 6.217 12.688 1.00 51.25 H new ATOM 828 N LEU A 54 -4.283 2.829 4.198 1.00 44.31 N ATOM 829 CA LEU A 54 -4.874 3.052 2.876 1.00 20.15 C ATOM 830 C LEU A 54 -6.200 2.289 2.724 1.00 34.01 C ATOM 831 O LEU A 54 -7.214 2.853 2.305 1.00 42.13 O ATOM 832 CB LEU A 54 -3.878 2.618 1.792 1.00 31.33 C ATOM 833 CG LEU A 54 -4.356 2.763 0.340 1.00 21.21 C ATOM 834 CD1 LEU A 54 -4.655 4.221 0.010 1.00 62.42 C ATOM 835 CD2 LEU A 54 -3.316 2.189 -0.623 1.00 62.30 C ATOM 0 H LEU A 54 -3.318 2.499 4.169 1.00 44.31 H new ATOM 0 HA LEU A 54 -5.091 4.115 2.765 1.00 20.15 H new ATOM 0 HB2 LEU A 54 -2.964 3.200 1.912 1.00 31.33 H new ATOM 0 HB3 LEU A 54 -3.616 1.574 1.965 1.00 31.33 H new ATOM 0 HG LEU A 54 -5.281 2.197 0.224 1.00 21.21 H new ATOM 0 HD11 LEU A 54 -4.992 4.298 -1.024 1.00 62.42 H new ATOM 0 HD12 LEU A 54 -5.435 4.592 0.675 1.00 62.42 H new ATOM 0 HD13 LEU A 54 -3.752 4.817 0.143 1.00 62.42 H new ATOM 0 HD21 LEU A 54 -3.669 2.299 -1.648 1.00 62.30 H new ATOM 0 HD22 LEU A 54 -2.375 2.726 -0.504 1.00 62.30 H new ATOM 0 HD23 LEU A 54 -3.162 1.132 -0.404 1.00 62.30 H new ATOM 847 N LEU A 55 -6.188 1.008 3.090 1.00 12.35 N ATOM 848 CA LEU A 55 -7.391 0.176 3.021 1.00 65.44 C ATOM 849 C LEU A 55 -8.471 0.676 3.999 1.00 74.00 C ATOM 850 O LEU A 55 -9.651 0.675 3.670 1.00 32.52 O ATOM 851 CB LEU A 55 -7.047 -1.295 3.301 1.00 64.12 C ATOM 852 CG LEU A 55 -8.201 -2.296 3.101 1.00 72.44 C ATOM 853 CD1 LEU A 55 -8.779 -2.190 1.690 1.00 31.14 C ATOM 854 CD2 LEU A 55 -7.730 -3.723 3.380 1.00 12.11 C ATOM 0 H LEU A 55 -5.360 0.523 3.437 1.00 12.35 H new ATOM 0 HA LEU A 55 -7.793 0.252 2.011 1.00 65.44 H new ATOM 0 HB2 LEU A 55 -6.220 -1.586 2.653 1.00 64.12 H new ATOM 0 HB3 LEU A 55 -6.691 -1.378 4.328 1.00 64.12 H new ATOM 0 HG LEU A 55 -8.990 -2.047 3.811 1.00 72.44 H new ATOM 0 HD11 LEU A 55 -9.592 -2.907 1.575 1.00 31.14 H new ATOM 0 HD12 LEU A 55 -9.159 -1.181 1.527 1.00 31.14 H new ATOM 0 HD13 LEU A 55 -7.999 -2.406 0.960 1.00 31.14 H new ATOM 0 HD21 LEU A 55 -8.559 -4.415 3.233 1.00 12.11 H new ATOM 0 HD22 LEU A 55 -6.919 -3.978 2.698 1.00 12.11 H new ATOM 0 HD23 LEU A 55 -7.375 -3.795 4.408 1.00 12.11 H new ATOM 866 N GLU A 56 -8.062 1.116 5.192 1.00 63.23 N ATOM 867 CA GLU A 56 -9.006 1.683 6.175 1.00 60.24 C ATOM 868 C GLU A 56 -9.670 2.960 5.642 1.00 54.04 C ATOM 869 O GLU A 56 -10.845 3.223 5.902 1.00 61.43 O ATOM 870 CB GLU A 56 -8.293 2.020 7.493 1.00 15.12 C ATOM 871 CG GLU A 56 -7.557 0.853 8.132 1.00 3.31 C ATOM 872 CD GLU A 56 -6.966 1.213 9.486 1.00 64.22 C ATOM 873 OE1 GLU A 56 -6.014 2.025 9.532 1.00 34.51 O ATOM 874 OE2 GLU A 56 -7.461 0.700 10.514 1.00 42.11 O ATOM 0 H GLU A 56 -7.091 1.094 5.505 1.00 63.23 H new ATOM 0 HA GLU A 56 -9.769 0.925 6.351 1.00 60.24 H new ATOM 0 HB2 GLU A 56 -7.581 2.825 7.310 1.00 15.12 H new ATOM 0 HB3 GLU A 56 -9.029 2.400 8.202 1.00 15.12 H new ATOM 0 HG2 GLU A 56 -8.243 0.014 8.249 1.00 3.31 H new ATOM 0 HG3 GLU A 56 -6.760 0.522 7.467 1.00 3.31 H new ATOM 881 N ARG A 57 -8.898 3.760 4.915 1.00 11.33 N ATOM 882 CA ARG A 57 -9.383 5.030 4.372 1.00 50.20 C ATOM 883 C ARG A 57 -10.416 4.801 3.253 1.00 22.23 C ATOM 884 O ARG A 57 -11.348 5.586 3.082 1.00 55.43 O ATOM 885 CB ARG A 57 -8.194 5.843 3.843 1.00 25.11 C ATOM 886 CG ARG A 57 -8.506 7.306 3.545 1.00 4.34 C ATOM 887 CD ARG A 57 -8.977 8.055 4.791 1.00 63.00 C ATOM 888 NE ARG A 57 -8.848 9.505 4.642 1.00 42.31 N ATOM 889 CZ ARG A 57 -9.818 10.361 4.809 1.00 53.15 C ATOM 890 NH1 ARG A 57 -11.022 9.964 5.061 1.00 45.13 N ATOM 891 NH2 ARG A 57 -9.580 11.625 4.718 1.00 14.43 N ATOM 0 H ARG A 57 -7.926 3.552 4.685 1.00 11.33 H new ATOM 0 HA ARG A 57 -9.879 5.584 5.169 1.00 50.20 H new ATOM 0 HB2 ARG A 57 -7.387 5.799 4.574 1.00 25.11 H new ATOM 0 HB3 ARG A 57 -7.825 5.371 2.932 1.00 25.11 H new ATOM 0 HG2 ARG A 57 -7.617 7.792 3.144 1.00 4.34 H new ATOM 0 HG3 ARG A 57 -9.275 7.363 2.775 1.00 4.34 H new ATOM 0 HD2 ARG A 57 -10.018 7.803 4.993 1.00 63.00 H new ATOM 0 HD3 ARG A 57 -8.396 7.726 5.653 1.00 63.00 H new ATOM 0 HE ARG A 57 -7.931 9.874 4.389 1.00 42.31 H new ATOM 0 HH11 ARG A 57 -11.226 8.967 5.132 1.00 45.13 H new ATOM 0 HH12 ARG A 57 -11.768 10.648 5.189 1.00 45.13 H new ATOM 0 HH21 ARG A 57 -8.635 11.953 4.516 1.00 14.43 H new ATOM 0 HH22 ARG A 57 -10.336 12.297 4.848 1.00 14.43 H new ATOM 905 N LEU A 58 -10.233 3.721 2.497 1.00 0.22 N ATOM 906 CA LEU A 58 -11.144 3.361 1.401 1.00 73.12 C ATOM 907 C LEU A 58 -12.259 2.410 1.881 1.00 0.33 C ATOM 908 O LEU A 58 -13.448 2.719 1.778 1.00 41.30 O ATOM 909 CB LEU A 58 -10.336 2.711 0.270 1.00 53.05 C ATOM 910 CG LEU A 58 -9.167 3.558 -0.260 1.00 51.33 C ATOM 911 CD1 LEU A 58 -8.351 2.778 -1.286 1.00 33.54 C ATOM 912 CD2 LEU A 58 -9.675 4.871 -0.856 1.00 4.40 C ATOM 0 H LEU A 58 -9.456 3.072 2.621 1.00 0.22 H new ATOM 0 HA LEU A 58 -11.627 4.268 1.036 1.00 73.12 H new ATOM 0 HB2 LEU A 58 -9.944 1.758 0.625 1.00 53.05 H new ATOM 0 HB3 LEU A 58 -11.010 2.490 -0.558 1.00 53.05 H new ATOM 0 HG LEU A 58 -8.514 3.796 0.580 1.00 51.33 H new ATOM 0 HD11 LEU A 58 -7.530 3.398 -1.646 1.00 33.54 H new ATOM 0 HD12 LEU A 58 -7.949 1.877 -0.822 1.00 33.54 H new ATOM 0 HD13 LEU A 58 -8.990 2.500 -2.124 1.00 33.54 H new ATOM 0 HD21 LEU A 58 -8.831 5.454 -1.225 1.00 4.40 H new ATOM 0 HD22 LEU A 58 -10.356 4.657 -1.680 1.00 4.40 H new ATOM 0 HD23 LEU A 58 -10.201 5.439 -0.089 1.00 4.40 H new ATOM 924 N LEU A 59 -11.862 1.244 2.395 1.00 71.31 N ATOM 925 CA LEU A 59 -12.802 0.267 2.970 1.00 11.43 C ATOM 926 C LEU A 59 -12.606 0.148 4.497 1.00 10.11 C ATOM 927 O LEU A 59 -11.859 -0.715 4.969 1.00 13.04 O ATOM 928 CB LEU A 59 -12.603 -1.113 2.318 1.00 43.45 C ATOM 929 CG LEU A 59 -12.763 -1.160 0.787 1.00 12.12 C ATOM 930 CD1 LEU A 59 -12.409 -2.545 0.248 1.00 1.23 C ATOM 931 CD2 LEU A 59 -14.181 -0.772 0.374 1.00 60.52 C ATOM 0 H LEU A 59 -10.887 0.947 2.427 1.00 71.31 H new ATOM 0 HA LEU A 59 -13.815 0.618 2.772 1.00 11.43 H new ATOM 0 HB2 LEU A 59 -11.606 -1.473 2.571 1.00 43.45 H new ATOM 0 HB3 LEU A 59 -13.316 -1.809 2.760 1.00 43.45 H new ATOM 0 HG LEU A 59 -12.072 -0.436 0.355 1.00 12.12 H new ATOM 0 HD11 LEU A 59 -12.529 -2.555 -0.835 1.00 1.23 H new ATOM 0 HD12 LEU A 59 -11.375 -2.780 0.501 1.00 1.23 H new ATOM 0 HD13 LEU A 59 -13.070 -3.289 0.693 1.00 1.23 H new ATOM 0 HD21 LEU A 59 -14.268 -0.813 -0.712 1.00 60.52 H new ATOM 0 HD22 LEU A 59 -14.893 -1.466 0.821 1.00 60.52 H new ATOM 0 HD23 LEU A 59 -14.396 0.240 0.717 1.00 60.52 H new ATOM 943 N PRO A 60 -13.272 1.008 5.291 1.00 22.52 N ATOM 944 CA PRO A 60 -13.092 1.041 6.757 1.00 45.15 C ATOM 945 C PRO A 60 -13.619 -0.220 7.471 1.00 11.23 C ATOM 946 O PRO A 60 -14.580 -0.850 7.028 1.00 60.15 O ATOM 947 CB PRO A 60 -13.895 2.280 7.181 1.00 71.41 C ATOM 948 CG PRO A 60 -14.922 2.445 6.112 1.00 2.21 C ATOM 949 CD PRO A 60 -14.251 2.014 4.834 1.00 2.11 C ATOM 0 HA PRO A 60 -12.037 1.077 7.028 1.00 45.15 H new ATOM 0 HB2 PRO A 60 -14.358 2.137 8.157 1.00 71.41 H new ATOM 0 HB3 PRO A 60 -13.256 3.160 7.257 1.00 71.41 H new ATOM 0 HG2 PRO A 60 -15.802 1.836 6.317 1.00 2.21 H new ATOM 0 HG3 PRO A 60 -15.258 3.480 6.048 1.00 2.21 H new ATOM 0 HD2 PRO A 60 -14.965 1.590 4.128 1.00 2.11 H new ATOM 0 HD3 PRO A 60 -13.765 2.851 4.332 1.00 2.11 H new ATOM 957 N GLY A 61 -12.973 -0.582 8.583 1.00 14.11 N ATOM 958 CA GLY A 61 -13.387 -1.749 9.364 1.00 4.11 C ATOM 959 C GLY A 61 -12.846 -3.069 8.824 1.00 63.11 C ATOM 960 O GLY A 61 -13.064 -4.128 9.417 1.00 33.32 O ATOM 0 H GLY A 61 -12.166 -0.086 8.960 1.00 14.11 H new ATOM 0 HA2 GLY A 61 -13.053 -1.623 10.394 1.00 4.11 H new ATOM 0 HA3 GLY A 61 -14.476 -1.794 9.385 1.00 4.11 H new ATOM 964 N THR A 62 -12.137 -3.012 7.702 1.00 43.15 N ATOM 965 CA THR A 62 -11.600 -4.220 7.067 1.00 62.05 C ATOM 966 C THR A 62 -10.296 -4.683 7.738 1.00 4.53 C ATOM 967 O THR A 62 -10.012 -5.883 7.809 1.00 4.20 O ATOM 968 CB THR A 62 -11.355 -3.998 5.553 1.00 74.31 C ATOM 969 OG1 THR A 62 -12.561 -3.517 4.932 1.00 12.12 O ATOM 970 CG2 THR A 62 -10.912 -5.287 4.864 1.00 13.45 C ATOM 0 H THR A 62 -11.918 -2.145 7.210 1.00 43.15 H new ATOM 0 HA THR A 62 -12.350 -5.001 7.193 1.00 62.05 H new ATOM 0 HB THR A 62 -10.559 -3.261 5.447 1.00 74.31 H new ATOM 0 HG1 THR A 62 -12.520 -2.541 4.850 1.00 12.12 H new ATOM 0 HG21 THR A 62 -10.749 -5.095 3.803 1.00 13.45 H new ATOM 0 HG22 THR A 62 -9.985 -5.641 5.315 1.00 13.45 H new ATOM 0 HG23 THR A 62 -11.685 -6.046 4.981 1.00 13.45 H new ATOM 978 N ILE A 63 -9.510 -3.731 8.246 1.00 14.11 N ATOM 979 CA ILE A 63 -8.260 -4.052 8.946 1.00 52.43 C ATOM 980 C ILE A 63 -8.528 -4.369 10.429 1.00 54.04 C ATOM 981 O ILE A 63 -8.503 -3.487 11.291 1.00 53.54 O ATOM 982 CB ILE A 63 -7.220 -2.903 8.827 1.00 53.42 C ATOM 983 CG1 ILE A 63 -6.872 -2.639 7.350 1.00 60.23 C ATOM 984 CG2 ILE A 63 -5.952 -3.225 9.623 1.00 12.25 C ATOM 985 CD1 ILE A 63 -6.190 -3.804 6.659 1.00 64.30 C ATOM 0 H ILE A 63 -9.715 -2.733 8.187 1.00 14.11 H new ATOM 0 HA ILE A 63 -7.841 -4.936 8.465 1.00 52.43 H new ATOM 0 HB ILE A 63 -7.666 -2.001 9.247 1.00 53.42 H new ATOM 0 HG12 ILE A 63 -7.787 -2.395 6.810 1.00 60.23 H new ATOM 0 HG13 ILE A 63 -6.224 -1.765 7.291 1.00 60.23 H new ATOM 0 HG21 ILE A 63 -5.241 -2.405 9.523 1.00 12.25 H new ATOM 0 HG22 ILE A 63 -6.206 -3.358 10.675 1.00 12.25 H new ATOM 0 HG23 ILE A 63 -5.505 -4.142 9.239 1.00 12.25 H new ATOM 0 HD11 ILE A 63 -5.978 -3.539 5.623 1.00 64.30 H new ATOM 0 HD12 ILE A 63 -5.257 -4.036 7.172 1.00 64.30 H new ATOM 0 HD13 ILE A 63 -6.844 -4.675 6.684 1.00 64.30 H new ATOM 997 N GLU A 64 -8.813 -5.642 10.699 1.00 63.42 N ATOM 998 CA GLU A 64 -9.118 -6.116 12.054 1.00 21.23 C ATOM 999 C GLU A 64 -7.890 -6.037 12.978 1.00 3.22 C ATOM 1000 O GLU A 64 -8.011 -5.791 14.184 1.00 0.35 O ATOM 1001 CB GLU A 64 -9.628 -7.561 11.978 1.00 15.21 C ATOM 1002 CG GLU A 64 -10.097 -8.127 13.310 1.00 4.33 C ATOM 1003 CD GLU A 64 -10.601 -9.555 13.189 1.00 43.14 C ATOM 1004 OE1 GLU A 64 -11.643 -9.764 12.532 1.00 0.22 O ATOM 1005 OE2 GLU A 64 -9.964 -10.470 13.752 1.00 75.13 O ATOM 0 H GLU A 64 -8.840 -6.374 9.989 1.00 63.42 H new ATOM 0 HA GLU A 64 -9.886 -5.469 12.479 1.00 21.23 H new ATOM 0 HB2 GLU A 64 -10.452 -7.607 11.266 1.00 15.21 H new ATOM 0 HB3 GLU A 64 -8.833 -8.195 11.586 1.00 15.21 H new ATOM 0 HG2 GLU A 64 -9.275 -8.094 14.025 1.00 4.33 H new ATOM 0 HG3 GLU A 64 -10.892 -7.497 13.709 1.00 4.33 H new ATOM 1012 N LYS A 65 -6.707 -6.249 12.405 1.00 0.34 N ATOM 1013 CA LYS A 65 -5.451 -6.190 13.156 1.00 11.25 C ATOM 1014 C LYS A 65 -4.317 -5.640 12.280 1.00 43.22 C ATOM 1015 O LYS A 65 -4.307 -5.841 11.067 1.00 2.13 O ATOM 1016 CB LYS A 65 -5.070 -7.583 13.682 1.00 32.24 C ATOM 1017 CG LYS A 65 -3.782 -7.595 14.502 1.00 51.23 C ATOM 1018 CD LYS A 65 -3.395 -9.002 14.935 1.00 33.40 C ATOM 1019 CE LYS A 65 -2.107 -8.998 15.748 1.00 64.40 C ATOM 1020 NZ LYS A 65 -1.713 -10.367 16.169 1.00 53.43 N ATOM 0 H LYS A 65 -6.590 -6.465 11.415 1.00 0.34 H new ATOM 0 HA LYS A 65 -5.598 -5.519 14.002 1.00 11.25 H new ATOM 0 HB2 LYS A 65 -5.885 -7.966 14.296 1.00 32.24 H new ATOM 0 HB3 LYS A 65 -4.960 -8.263 12.838 1.00 32.24 H new ATOM 0 HG2 LYS A 65 -2.973 -7.162 13.913 1.00 51.23 H new ATOM 0 HG3 LYS A 65 -3.907 -6.966 15.383 1.00 51.23 H new ATOM 0 HD2 LYS A 65 -4.200 -9.436 15.528 1.00 33.40 H new ATOM 0 HD3 LYS A 65 -3.270 -9.634 14.056 1.00 33.40 H new ATOM 0 HE2 LYS A 65 -1.306 -8.556 15.156 1.00 64.40 H new ATOM 0 HE3 LYS A 65 -2.236 -8.370 16.630 1.00 64.40 H new ATOM 0 HZ1 LYS A 65 -1.677 -10.414 17.207 1.00 53.43 H new ATOM 0 HZ2 LYS A 65 -2.410 -11.053 15.815 1.00 53.43 H new ATOM 0 HZ3 LYS A 65 -0.776 -10.594 15.780 1.00 53.43 H new ATOM 1034 N VAL A 66 -3.371 -4.944 12.905 1.00 1.14 N ATOM 1035 CA VAL A 66 -2.217 -4.388 12.192 1.00 50.25 C ATOM 1036 C VAL A 66 -1.029 -4.175 13.145 1.00 24.35 C ATOM 1037 O VAL A 66 -1.209 -4.016 14.354 1.00 43.23 O ATOM 1038 CB VAL A 66 -2.577 -3.039 11.511 1.00 0.31 C ATOM 1039 CG1 VAL A 66 -2.942 -1.984 12.553 1.00 1.41 C ATOM 1040 CG2 VAL A 66 -1.438 -2.551 10.615 1.00 72.53 C ATOM 0 H VAL A 66 -3.378 -4.750 13.906 1.00 1.14 H new ATOM 0 HA VAL A 66 -1.934 -5.109 11.425 1.00 50.25 H new ATOM 0 HB VAL A 66 -3.449 -3.206 10.879 1.00 0.31 H new ATOM 0 HG11 VAL A 66 -3.190 -1.048 12.052 1.00 1.41 H new ATOM 0 HG12 VAL A 66 -3.801 -2.325 13.131 1.00 1.41 H new ATOM 0 HG13 VAL A 66 -2.096 -1.824 13.221 1.00 1.41 H new ATOM 0 HG21 VAL A 66 -1.719 -1.605 10.152 1.00 72.53 H new ATOM 0 HG22 VAL A 66 -0.539 -2.409 11.215 1.00 72.53 H new ATOM 0 HG23 VAL A 66 -1.243 -3.291 9.839 1.00 72.53 H new ATOM 1050 N TYR A 67 0.180 -4.197 12.599 1.00 25.41 N ATOM 1051 CA TYR A 67 1.390 -3.884 13.364 1.00 25.12 C ATOM 1052 C TYR A 67 1.957 -2.516 12.944 1.00 13.21 C ATOM 1053 O TYR A 67 2.797 -2.440 12.045 1.00 72.03 O ATOM 1054 CB TYR A 67 2.464 -4.963 13.151 1.00 74.42 C ATOM 1055 CG TYR A 67 2.051 -6.359 13.578 1.00 52.04 C ATOM 1056 CD1 TYR A 67 1.435 -7.229 12.686 1.00 44.44 C ATOM 1057 CD2 TYR A 67 2.290 -6.811 14.872 1.00 62.50 C ATOM 1058 CE1 TYR A 67 1.071 -8.505 13.066 1.00 13.14 C ATOM 1059 CE2 TYR A 67 1.927 -8.087 15.261 1.00 73.32 C ATOM 1060 CZ TYR A 67 1.319 -8.930 14.356 1.00 45.45 C ATOM 1061 OH TYR A 67 0.961 -10.205 14.740 1.00 42.55 O ATOM 0 H TYR A 67 0.354 -4.430 11.621 1.00 25.41 H new ATOM 0 HA TYR A 67 1.117 -3.854 14.419 1.00 25.12 H new ATOM 0 HB2 TYR A 67 2.733 -4.985 12.095 1.00 74.42 H new ATOM 0 HB3 TYR A 67 3.360 -4.679 13.703 1.00 74.42 H new ATOM 0 HD1 TYR A 67 1.237 -6.900 11.676 1.00 44.44 H new ATOM 0 HD2 TYR A 67 2.767 -6.154 15.584 1.00 62.50 H new ATOM 0 HE1 TYR A 67 0.595 -9.167 12.358 1.00 13.14 H new ATOM 0 HE2 TYR A 67 2.119 -8.422 16.270 1.00 73.32 H new ATOM 0 HH TYR A 67 1.206 -10.345 15.678 1.00 42.55 H new ATOM 1071 N PRO A 68 1.499 -1.412 13.575 1.00 24.33 N ATOM 1072 CA PRO A 68 2.007 -0.059 13.271 1.00 65.35 C ATOM 1073 C PRO A 68 3.462 0.121 13.728 1.00 63.11 C ATOM 1074 O PRO A 68 4.142 1.078 13.347 1.00 1.01 O ATOM 1075 CB PRO A 68 1.067 0.861 14.062 1.00 72.13 C ATOM 1076 CG PRO A 68 0.562 0.012 15.180 1.00 42.43 C ATOM 1077 CD PRO A 68 0.462 -1.388 14.626 1.00 13.53 C ATOM 0 HA PRO A 68 2.016 0.150 12.201 1.00 65.35 H new ATOM 0 HB2 PRO A 68 1.594 1.738 14.437 1.00 72.13 H new ATOM 0 HB3 PRO A 68 0.249 1.223 13.439 1.00 72.13 H new ATOM 0 HG2 PRO A 68 1.240 0.047 16.033 1.00 42.43 H new ATOM 0 HG3 PRO A 68 -0.409 0.364 15.529 1.00 42.43 H new ATOM 0 HD2 PRO A 68 0.650 -2.139 15.394 1.00 13.53 H new ATOM 0 HD3 PRO A 68 -0.529 -1.590 14.218 1.00 13.53 H new ATOM 1085 N GLU A 69 3.920 -0.819 14.549 1.00 24.25 N ATOM 1086 CA GLU A 69 5.297 -0.850 15.035 1.00 5.44 C ATOM 1087 C GLU A 69 5.928 -2.237 14.781 1.00 22.40 C ATOM 1088 O GLU A 69 6.074 -3.044 15.695 1.00 32.52 O ATOM 1089 CB GLU A 69 5.325 -0.495 16.536 1.00 1.33 C ATOM 1090 CG GLU A 69 4.387 -1.350 17.387 1.00 32.10 C ATOM 1091 CD GLU A 69 4.442 -1.010 18.868 1.00 25.33 C ATOM 1092 OE1 GLU A 69 3.707 -0.098 19.299 1.00 4.02 O ATOM 1093 OE2 GLU A 69 5.210 -1.659 19.608 1.00 65.12 O ATOM 0 H GLU A 69 3.344 -1.585 14.898 1.00 24.25 H new ATOM 0 HA GLU A 69 5.887 -0.112 14.492 1.00 5.44 H new ATOM 0 HB2 GLU A 69 6.343 -0.608 16.908 1.00 1.33 H new ATOM 0 HB3 GLU A 69 5.056 0.554 16.657 1.00 1.33 H new ATOM 0 HG2 GLU A 69 3.365 -1.222 17.030 1.00 32.10 H new ATOM 0 HG3 GLU A 69 4.642 -2.401 17.253 1.00 32.10 H new ATOM 1100 N PRO A 70 6.289 -2.543 13.517 1.00 53.43 N ATOM 1101 CA PRO A 70 6.836 -3.863 13.148 1.00 2.04 C ATOM 1102 C PRO A 70 8.290 -4.075 13.612 1.00 64.14 C ATOM 1103 O PRO A 70 9.186 -3.298 13.274 1.00 54.33 O ATOM 1104 CB PRO A 70 6.746 -3.857 11.615 1.00 4.12 C ATOM 1105 CG PRO A 70 6.841 -2.416 11.235 1.00 42.03 C ATOM 1106 CD PRO A 70 6.184 -1.642 12.352 1.00 33.22 C ATOM 0 HA PRO A 70 6.287 -4.675 13.625 1.00 2.04 H new ATOM 0 HB2 PRO A 70 7.553 -4.438 11.169 1.00 4.12 H new ATOM 0 HB3 PRO A 70 5.809 -4.296 11.272 1.00 4.12 H new ATOM 0 HG2 PRO A 70 7.881 -2.114 11.111 1.00 42.03 H new ATOM 0 HG3 PRO A 70 6.340 -2.230 10.285 1.00 42.03 H new ATOM 0 HD2 PRO A 70 6.691 -0.694 12.533 1.00 33.22 H new ATOM 0 HD3 PRO A 70 5.145 -1.409 12.119 1.00 33.22 H new ATOM 1114 N ARG A 71 8.517 -5.122 14.409 1.00 34.23 N ATOM 1115 CA ARG A 71 9.872 -5.494 14.853 1.00 2.55 C ATOM 1116 C ARG A 71 10.456 -6.626 13.992 1.00 2.22 C ATOM 1117 O ARG A 71 11.629 -6.597 13.619 1.00 54.43 O ATOM 1118 CB ARG A 71 9.870 -5.925 16.335 1.00 43.11 C ATOM 1119 CG ARG A 71 9.751 -4.773 17.333 1.00 14.51 C ATOM 1120 CD ARG A 71 8.419 -4.043 17.225 1.00 15.20 C ATOM 1121 NE ARG A 71 8.344 -2.895 18.130 1.00 22.44 N ATOM 1122 CZ ARG A 71 8.371 -1.649 17.737 1.00 11.54 C ATOM 1123 NH1 ARG A 71 8.549 -1.356 16.489 1.00 54.44 N ATOM 1124 NH2 ARG A 71 8.235 -0.696 18.596 1.00 4.12 N ATOM 0 H ARG A 71 7.780 -5.732 14.764 1.00 34.23 H new ATOM 0 HA ARG A 71 10.499 -4.610 14.738 1.00 2.55 H new ATOM 0 HB2 ARG A 71 9.043 -6.616 16.498 1.00 43.11 H new ATOM 0 HB3 ARG A 71 10.789 -6.474 16.541 1.00 43.11 H new ATOM 0 HG2 ARG A 71 9.869 -5.160 18.345 1.00 14.51 H new ATOM 0 HG3 ARG A 71 10.564 -4.066 17.166 1.00 14.51 H new ATOM 0 HD2 ARG A 71 8.274 -3.705 16.199 1.00 15.20 H new ATOM 0 HD3 ARG A 71 7.608 -4.735 17.450 1.00 15.20 H new ATOM 0 HE ARG A 71 8.266 -3.079 19.130 1.00 22.44 H new ATOM 0 HH11 ARG A 71 8.670 -2.101 15.802 1.00 54.44 H new ATOM 0 HH12 ARG A 71 8.569 -0.380 16.192 1.00 54.44 H new ATOM 0 HH21 ARG A 71 8.106 -0.914 19.584 1.00 4.12 H new ATOM 0 HH22 ARG A 71 8.256 0.276 18.287 1.00 4.12 H new ATOM 1138 N SER A 72 9.633 -7.627 13.690 1.00 3.53 N ATOM 1139 CA SER A 72 10.079 -8.801 12.921 1.00 24.01 C ATOM 1140 C SER A 72 9.444 -8.856 11.523 1.00 34.43 C ATOM 1141 O SER A 72 8.376 -8.292 11.285 1.00 71.43 O ATOM 1142 CB SER A 72 9.749 -10.090 13.688 1.00 62.41 C ATOM 1143 OG SER A 72 10.399 -10.117 14.947 1.00 23.13 O ATOM 0 H SER A 72 8.651 -7.655 13.964 1.00 3.53 H new ATOM 0 HA SER A 72 11.158 -8.711 12.792 1.00 24.01 H new ATOM 0 HB2 SER A 72 8.671 -10.166 13.830 1.00 62.41 H new ATOM 0 HB3 SER A 72 10.054 -10.955 13.099 1.00 62.41 H new ATOM 0 HG SER A 72 10.171 -10.947 15.415 1.00 23.13 H new ATOM 1149 N GLU A 73 10.110 -9.564 10.611 1.00 51.24 N ATOM 1150 CA GLU A 73 9.651 -9.706 9.221 1.00 10.42 C ATOM 1151 C GLU A 73 8.177 -10.140 9.121 1.00 33.44 C ATOM 1152 O GLU A 73 7.390 -9.532 8.390 1.00 30.04 O ATOM 1153 CB GLU A 73 10.538 -10.721 8.491 1.00 61.13 C ATOM 1154 CG GLU A 73 10.070 -11.056 7.079 1.00 51.03 C ATOM 1155 CD GLU A 73 11.005 -12.013 6.363 1.00 74.11 C ATOM 1156 OE1 GLU A 73 10.922 -13.233 6.616 1.00 52.02 O ATOM 1157 OE2 GLU A 73 11.837 -11.551 5.556 1.00 62.55 O ATOM 0 H GLU A 73 10.981 -10.056 10.810 1.00 51.24 H new ATOM 0 HA GLU A 73 9.728 -8.725 8.753 1.00 10.42 H new ATOM 0 HB2 GLU A 73 11.554 -10.330 8.442 1.00 61.13 H new ATOM 0 HB3 GLU A 73 10.578 -11.640 9.076 1.00 61.13 H new ATOM 0 HG2 GLU A 73 9.073 -11.495 7.126 1.00 51.03 H new ATOM 0 HG3 GLU A 73 9.986 -10.136 6.501 1.00 51.03 H new ATOM 1164 N SER A 74 7.810 -11.190 9.863 1.00 74.31 N ATOM 1165 CA SER A 74 6.434 -11.722 9.845 1.00 51.22 C ATOM 1166 C SER A 74 5.389 -10.625 10.104 1.00 40.51 C ATOM 1167 O SER A 74 4.286 -10.666 9.564 1.00 21.23 O ATOM 1168 CB SER A 74 6.272 -12.838 10.889 1.00 24.54 C ATOM 1169 OG SER A 74 4.952 -13.359 10.888 1.00 13.13 O ATOM 0 H SER A 74 8.443 -11.692 10.485 1.00 74.31 H new ATOM 0 HA SER A 74 6.263 -12.126 8.847 1.00 51.22 H new ATOM 0 HB2 SER A 74 6.981 -13.639 10.681 1.00 24.54 H new ATOM 0 HB3 SER A 74 6.511 -12.450 11.879 1.00 24.54 H new ATOM 0 HG SER A 74 4.880 -14.068 11.561 1.00 13.13 H new ATOM 1175 N GLU A 75 5.748 -9.641 10.927 1.00 71.21 N ATOM 1176 CA GLU A 75 4.858 -8.513 11.225 1.00 52.44 C ATOM 1177 C GLU A 75 4.594 -7.659 9.974 1.00 33.51 C ATOM 1178 O GLU A 75 3.443 -7.391 9.626 1.00 35.44 O ATOM 1179 CB GLU A 75 5.459 -7.649 12.343 1.00 35.44 C ATOM 1180 CG GLU A 75 5.542 -8.362 13.688 1.00 2.24 C ATOM 1181 CD GLU A 75 6.292 -7.559 14.738 1.00 73.31 C ATOM 1182 OE1 GLU A 75 5.883 -6.417 15.025 1.00 40.12 O ATOM 1183 OE2 GLU A 75 7.300 -8.066 15.274 1.00 32.12 O ATOM 0 H GLU A 75 6.650 -9.599 11.401 1.00 71.21 H new ATOM 0 HA GLU A 75 3.902 -8.917 11.559 1.00 52.44 H new ATOM 0 HB2 GLU A 75 6.459 -7.331 12.047 1.00 35.44 H new ATOM 0 HB3 GLU A 75 4.858 -6.747 12.456 1.00 35.44 H new ATOM 0 HG2 GLU A 75 4.534 -8.568 14.047 1.00 2.24 H new ATOM 0 HG3 GLU A 75 6.035 -9.325 13.553 1.00 2.24 H new ATOM 1190 N CYS A 76 5.665 -7.245 9.296 1.00 22.13 N ATOM 1191 CA CYS A 76 5.544 -6.460 8.056 1.00 44.13 C ATOM 1192 C CYS A 76 4.749 -7.233 6.991 1.00 0.05 C ATOM 1193 O CYS A 76 3.838 -6.692 6.361 1.00 64.14 O ATOM 1194 CB CYS A 76 6.933 -6.103 7.511 1.00 25.42 C ATOM 1195 SG CYS A 76 7.969 -5.181 8.673 1.00 64.24 S ATOM 0 H CYS A 76 6.626 -7.437 9.579 1.00 22.13 H new ATOM 0 HA CYS A 76 5.006 -5.542 8.291 1.00 44.13 H new ATOM 0 HB2 CYS A 76 7.449 -7.022 7.231 1.00 25.42 H new ATOM 0 HB3 CYS A 76 6.814 -5.515 6.601 1.00 25.42 H new ATOM 0 HG CYS A 76 8.123 -3.963 8.245 1.00 64.24 H new ATOM 1201 N LEU A 77 5.095 -8.509 6.812 1.00 54.33 N ATOM 1202 CA LEU A 77 4.380 -9.384 5.873 1.00 13.25 C ATOM 1203 C LEU A 77 2.894 -9.509 6.251 1.00 64.45 C ATOM 1204 O LEU A 77 2.022 -9.531 5.380 1.00 22.44 O ATOM 1205 CB LEU A 77 5.026 -10.779 5.834 1.00 31.02 C ATOM 1206 CG LEU A 77 6.507 -10.817 5.413 1.00 33.14 C ATOM 1207 CD1 LEU A 77 7.030 -12.252 5.414 1.00 41.23 C ATOM 1208 CD2 LEU A 77 6.703 -10.171 4.042 1.00 75.55 C ATOM 0 H LEU A 77 5.865 -8.962 7.303 1.00 54.33 H new ATOM 0 HA LEU A 77 4.448 -8.932 4.884 1.00 13.25 H new ATOM 0 HB2 LEU A 77 4.937 -11.228 6.823 1.00 31.02 H new ATOM 0 HB3 LEU A 77 4.456 -11.404 5.147 1.00 31.02 H new ATOM 0 HG LEU A 77 7.080 -10.242 6.141 1.00 33.14 H new ATOM 0 HD11 LEU A 77 8.078 -12.258 5.114 1.00 41.23 H new ATOM 0 HD12 LEU A 77 6.937 -12.672 6.415 1.00 41.23 H new ATOM 0 HD13 LEU A 77 6.449 -12.852 4.713 1.00 41.23 H new ATOM 0 HD21 LEU A 77 7.757 -10.211 3.768 1.00 75.55 H new ATOM 0 HD22 LEU A 77 6.115 -10.709 3.299 1.00 75.55 H new ATOM 0 HD23 LEU A 77 6.377 -9.132 4.080 1.00 75.55 H new ATOM 1220 N SER A 78 2.618 -9.588 7.553 1.00 15.52 N ATOM 1221 CA SER A 78 1.237 -9.655 8.057 1.00 14.42 C ATOM 1222 C SER A 78 0.440 -8.410 7.648 1.00 30.30 C ATOM 1223 O SER A 78 -0.650 -8.520 7.092 1.00 31.42 O ATOM 1224 CB SER A 78 1.231 -9.799 9.586 1.00 74.34 C ATOM 1225 OG SER A 78 -0.083 -9.988 10.095 1.00 34.13 O ATOM 0 H SER A 78 3.331 -9.607 8.283 1.00 15.52 H new ATOM 0 HA SER A 78 0.761 -10.530 7.614 1.00 14.42 H new ATOM 0 HB2 SER A 78 1.857 -10.644 9.874 1.00 74.34 H new ATOM 0 HB3 SER A 78 1.670 -8.909 10.036 1.00 74.34 H new ATOM 0 HG SER A 78 -0.736 -9.634 9.456 1.00 34.13 H new ATOM 1231 N ASN A 79 1.004 -7.227 7.912 1.00 30.35 N ATOM 1232 CA ASN A 79 0.369 -5.955 7.534 1.00 44.50 C ATOM 1233 C ASN A 79 0.009 -5.936 6.042 1.00 53.42 C ATOM 1234 O ASN A 79 -1.112 -5.587 5.660 1.00 71.50 O ATOM 1235 CB ASN A 79 1.298 -4.775 7.852 1.00 65.44 C ATOM 1236 CG ASN A 79 1.678 -4.710 9.317 1.00 62.53 C ATOM 1237 OD1 ASN A 79 0.948 -5.177 10.179 1.00 15.02 O ATOM 1238 ND2 ASN A 79 2.824 -4.126 9.613 1.00 42.33 N ATOM 0 H ASN A 79 1.901 -7.121 8.387 1.00 30.35 H new ATOM 0 HA ASN A 79 -0.548 -5.859 8.115 1.00 44.50 H new ATOM 0 HB2 ASN A 79 2.203 -4.857 7.249 1.00 65.44 H new ATOM 0 HB3 ASN A 79 0.808 -3.844 7.566 1.00 65.44 H new ATOM 0 HD21 ASN A 79 3.124 -4.054 10.585 1.00 42.33 H new ATOM 0 HD22 ASN A 79 3.410 -3.746 8.869 1.00 42.33 H new ATOM 1245 N ILE A 80 0.966 -6.324 5.203 1.00 21.20 N ATOM 1246 CA ILE A 80 0.745 -6.381 3.758 1.00 53.52 C ATOM 1247 C ILE A 80 -0.352 -7.398 3.401 1.00 73.31 C ATOM 1248 O ILE A 80 -1.208 -7.126 2.561 1.00 52.21 O ATOM 1249 CB ILE A 80 2.047 -6.743 2.993 1.00 3.34 C ATOM 1250 CG1 ILE A 80 3.167 -5.742 3.327 1.00 42.54 C ATOM 1251 CG2 ILE A 80 1.794 -6.783 1.483 1.00 33.03 C ATOM 1252 CD1 ILE A 80 4.497 -6.064 2.672 1.00 20.53 C ATOM 0 H ILE A 80 1.902 -6.604 5.497 1.00 21.20 H new ATOM 0 HA ILE A 80 0.424 -5.385 3.452 1.00 53.52 H new ATOM 0 HB ILE A 80 2.366 -7.735 3.313 1.00 3.34 H new ATOM 0 HG12 ILE A 80 2.853 -4.745 3.018 1.00 42.54 H new ATOM 0 HG13 ILE A 80 3.304 -5.712 4.408 1.00 42.54 H new ATOM 0 HG21 ILE A 80 2.719 -7.038 0.966 1.00 33.03 H new ATOM 0 HG22 ILE A 80 1.035 -7.533 1.261 1.00 33.03 H new ATOM 0 HG23 ILE A 80 1.448 -5.806 1.146 1.00 33.03 H new ATOM 0 HD11 ILE A 80 5.234 -5.313 2.956 1.00 20.53 H new ATOM 0 HD12 ILE A 80 4.836 -7.047 3.000 1.00 20.53 H new ATOM 0 HD13 ILE A 80 4.378 -6.064 1.588 1.00 20.53 H new ATOM 1264 N ARG A 81 -0.340 -8.564 4.055 1.00 45.23 N ATOM 1265 CA ARG A 81 -1.312 -9.623 3.748 1.00 64.41 C ATOM 1266 C ARG A 81 -2.727 -9.289 4.243 1.00 4.24 C ATOM 1267 O ARG A 81 -3.709 -9.731 3.647 1.00 44.03 O ATOM 1268 CB ARG A 81 -0.853 -10.979 4.298 1.00 60.33 C ATOM 1269 CG ARG A 81 0.369 -11.542 3.571 1.00 12.23 C ATOM 1270 CD ARG A 81 0.422 -13.064 3.643 1.00 72.40 C ATOM 1271 NE ARG A 81 -0.821 -13.668 3.154 1.00 11.35 N ATOM 1272 CZ ARG A 81 -1.151 -13.772 1.888 1.00 73.51 C ATOM 1273 NH1 ARG A 81 -0.330 -13.400 0.952 1.00 10.44 N ATOM 1274 NH2 ARG A 81 -2.303 -14.269 1.565 1.00 74.20 N ATOM 0 H ARG A 81 0.324 -8.799 4.793 1.00 45.23 H new ATOM 0 HA ARG A 81 -1.360 -9.689 2.661 1.00 64.41 H new ATOM 0 HB2 ARG A 81 -0.621 -10.874 5.358 1.00 60.33 H new ATOM 0 HB3 ARG A 81 -1.674 -11.692 4.221 1.00 60.33 H new ATOM 0 HG2 ARG A 81 0.347 -11.228 2.527 1.00 12.23 H new ATOM 0 HG3 ARG A 81 1.276 -11.126 4.010 1.00 12.23 H new ATOM 0 HD2 ARG A 81 1.262 -13.428 3.052 1.00 72.40 H new ATOM 0 HD3 ARG A 81 0.598 -13.375 4.673 1.00 72.40 H new ATOM 0 HE ARG A 81 -1.475 -14.033 3.846 1.00 11.35 H new ATOM 0 HH11 ARG A 81 0.585 -13.021 1.197 1.00 10.44 H new ATOM 0 HH12 ARG A 81 -0.600 -13.487 -0.028 1.00 10.44 H new ATOM 0 HH21 ARG A 81 -2.948 -14.577 2.293 1.00 74.20 H new ATOM 0 HH22 ARG A 81 -2.565 -14.352 0.583 1.00 74.20 H new ATOM 1288 N GLU A 82 -2.839 -8.522 5.326 1.00 73.04 N ATOM 1289 CA GLU A 82 -4.145 -8.006 5.758 1.00 33.40 C ATOM 1290 C GLU A 82 -4.741 -7.090 4.677 1.00 1.22 C ATOM 1291 O GLU A 82 -5.940 -7.139 4.387 1.00 21.01 O ATOM 1292 CB GLU A 82 -4.029 -7.255 7.102 1.00 51.15 C ATOM 1293 CG GLU A 82 -4.383 -8.098 8.331 1.00 63.12 C ATOM 1294 CD GLU A 82 -3.405 -9.235 8.607 1.00 31.00 C ATOM 1295 OE1 GLU A 82 -3.467 -10.269 7.907 1.00 41.55 O ATOM 1296 OE2 GLU A 82 -2.602 -9.121 9.552 1.00 54.12 O ATOM 0 H GLU A 82 -2.055 -8.245 5.916 1.00 73.04 H new ATOM 0 HA GLU A 82 -4.814 -8.854 5.905 1.00 33.40 H new ATOM 0 HB2 GLU A 82 -3.009 -6.886 7.211 1.00 51.15 H new ATOM 0 HB3 GLU A 82 -4.682 -6.383 7.074 1.00 51.15 H new ATOM 0 HG2 GLU A 82 -4.424 -7.448 9.205 1.00 63.12 H new ATOM 0 HG3 GLU A 82 -5.381 -8.516 8.197 1.00 63.12 H new ATOM 1303 N PHE A 83 -3.882 -6.264 4.080 1.00 13.51 N ATOM 1304 CA PHE A 83 -4.258 -5.429 2.933 1.00 64.04 C ATOM 1305 C PHE A 83 -4.657 -6.301 1.725 1.00 15.14 C ATOM 1306 O PHE A 83 -5.712 -6.103 1.117 1.00 11.21 O ATOM 1307 CB PHE A 83 -3.082 -4.508 2.567 1.00 11.33 C ATOM 1308 CG PHE A 83 -3.295 -3.678 1.321 1.00 15.22 C ATOM 1309 CD1 PHE A 83 -4.085 -2.538 1.355 1.00 70.40 C ATOM 1310 CD2 PHE A 83 -2.698 -4.037 0.117 1.00 55.13 C ATOM 1311 CE1 PHE A 83 -4.276 -1.775 0.218 1.00 25.13 C ATOM 1312 CE2 PHE A 83 -2.886 -3.276 -1.022 1.00 35.11 C ATOM 1313 CZ PHE A 83 -3.675 -2.144 -0.970 1.00 30.22 C ATOM 0 H PHE A 83 -2.911 -6.153 4.373 1.00 13.51 H new ATOM 0 HA PHE A 83 -5.122 -4.822 3.205 1.00 64.04 H new ATOM 0 HB2 PHE A 83 -2.888 -3.838 3.405 1.00 11.33 H new ATOM 0 HB3 PHE A 83 -2.188 -5.118 2.433 1.00 11.33 H new ATOM 0 HD1 PHE A 83 -4.556 -2.243 2.281 1.00 70.40 H new ATOM 0 HD2 PHE A 83 -2.080 -4.921 0.071 1.00 55.13 H new ATOM 0 HE1 PHE A 83 -4.895 -0.891 0.258 1.00 25.13 H new ATOM 0 HE2 PHE A 83 -2.417 -3.566 -1.950 1.00 35.11 H new ATOM 0 HZ PHE A 83 -3.822 -1.547 -1.858 1.00 30.22 H new ATOM 1323 N LEU A 84 -3.806 -7.275 1.400 1.00 1.15 N ATOM 1324 CA LEU A 84 -4.055 -8.204 0.287 1.00 72.14 C ATOM 1325 C LEU A 84 -5.372 -8.974 0.473 1.00 12.52 C ATOM 1326 O LEU A 84 -6.116 -9.191 -0.484 1.00 30.35 O ATOM 1327 CB LEU A 84 -2.891 -9.196 0.156 1.00 41.43 C ATOM 1328 CG LEU A 84 -1.529 -8.572 -0.197 1.00 60.32 C ATOM 1329 CD1 LEU A 84 -0.428 -9.629 -0.179 1.00 14.30 C ATOM 1330 CD2 LEU A 84 -1.591 -7.877 -1.557 1.00 71.20 C ATOM 0 H LEU A 84 -2.930 -7.445 1.894 1.00 1.15 H new ATOM 0 HA LEU A 84 -4.136 -7.611 -0.624 1.00 72.14 H new ATOM 0 HB2 LEU A 84 -2.790 -9.738 1.096 1.00 41.43 H new ATOM 0 HB3 LEU A 84 -3.145 -9.929 -0.609 1.00 41.43 H new ATOM 0 HG LEU A 84 -1.291 -7.823 0.558 1.00 60.32 H new ATOM 0 HD11 LEU A 84 0.526 -9.165 -0.431 1.00 14.30 H new ATOM 0 HD12 LEU A 84 -0.365 -10.071 0.815 1.00 14.30 H new ATOM 0 HD13 LEU A 84 -0.658 -10.406 -0.908 1.00 14.30 H new ATOM 0 HD21 LEU A 84 -0.618 -7.442 -1.788 1.00 71.20 H new ATOM 0 HD22 LEU A 84 -1.856 -8.604 -2.325 1.00 71.20 H new ATOM 0 HD23 LEU A 84 -2.343 -7.089 -1.529 1.00 71.20 H new ATOM 1342 N ARG A 85 -5.646 -9.381 1.708 1.00 43.52 N ATOM 1343 CA ARG A 85 -6.855 -10.147 2.025 1.00 32.34 C ATOM 1344 C ARG A 85 -8.114 -9.285 1.864 1.00 61.30 C ATOM 1345 O ARG A 85 -9.068 -9.679 1.193 1.00 23.02 O ATOM 1346 CB ARG A 85 -6.771 -10.690 3.459 1.00 34.41 C ATOM 1347 CG ARG A 85 -7.833 -11.735 3.793 1.00 72.20 C ATOM 1348 CD ARG A 85 -7.677 -12.260 5.218 1.00 1.42 C ATOM 1349 NE ARG A 85 -6.311 -12.722 5.477 1.00 70.54 N ATOM 1350 CZ ARG A 85 -5.467 -12.107 6.261 1.00 43.34 C ATOM 1351 NH1 ARG A 85 -5.823 -11.037 6.895 1.00 71.41 N ATOM 1352 NH2 ARG A 85 -4.266 -12.556 6.409 1.00 72.25 N ATOM 0 H ARG A 85 -5.047 -9.194 2.512 1.00 43.52 H new ATOM 0 HA ARG A 85 -6.922 -10.981 1.326 1.00 32.34 H new ATOM 0 HB2 ARG A 85 -5.785 -11.128 3.613 1.00 34.41 H new ATOM 0 HB3 ARG A 85 -6.863 -9.858 4.157 1.00 34.41 H new ATOM 0 HG2 ARG A 85 -8.824 -11.298 3.672 1.00 72.20 H new ATOM 0 HG3 ARG A 85 -7.762 -12.564 3.089 1.00 72.20 H new ATOM 0 HD2 ARG A 85 -7.936 -11.473 5.926 1.00 1.42 H new ATOM 0 HD3 ARG A 85 -8.376 -13.080 5.383 1.00 1.42 H new ATOM 0 HE ARG A 85 -6.000 -13.577 5.016 1.00 70.54 H new ATOM 0 HH11 ARG A 85 -6.768 -10.669 6.784 1.00 71.41 H new ATOM 0 HH12 ARG A 85 -5.159 -10.561 7.506 1.00 71.41 H new ATOM 0 HH21 ARG A 85 -3.971 -13.396 5.912 1.00 72.25 H new ATOM 0 HH22 ARG A 85 -3.612 -12.070 7.023 1.00 72.25 H new ATOM 1366 N GLY A 86 -8.105 -8.104 2.484 1.00 43.54 N ATOM 1367 CA GLY A 86 -9.236 -7.188 2.382 1.00 32.45 C ATOM 1368 C GLY A 86 -9.538 -6.777 0.944 1.00 74.44 C ATOM 1369 O GLY A 86 -10.661 -6.955 0.456 1.00 63.02 O ATOM 0 H GLY A 86 -7.333 -7.764 3.057 1.00 43.54 H new ATOM 0 HA2 GLY A 86 -10.119 -7.659 2.813 1.00 32.45 H new ATOM 0 HA3 GLY A 86 -9.030 -6.296 2.974 1.00 32.45 H new ATOM 1373 N CYS A 87 -8.534 -6.230 0.260 1.00 13.21 N ATOM 1374 CA CYS A 87 -8.679 -5.852 -1.150 1.00 34.22 C ATOM 1375 C CYS A 87 -9.008 -7.072 -2.021 1.00 0.04 C ATOM 1376 O CYS A 87 -9.865 -7.004 -2.895 1.00 3.31 O ATOM 1377 CB CYS A 87 -7.397 -5.183 -1.659 1.00 53.22 C ATOM 1378 SG CYS A 87 -6.993 -3.634 -0.821 1.00 15.14 S ATOM 0 H CYS A 87 -7.613 -6.038 0.655 1.00 13.21 H new ATOM 0 HA CYS A 87 -9.506 -5.145 -1.221 1.00 34.22 H new ATOM 0 HB2 CYS A 87 -6.565 -5.877 -1.539 1.00 53.22 H new ATOM 0 HB3 CYS A 87 -7.499 -4.990 -2.727 1.00 53.22 H new ATOM 0 HG CYS A 87 -5.719 -3.401 -0.931 1.00 15.14 H new ATOM 1384 N GLY A 88 -8.323 -8.183 -1.770 1.00 60.03 N ATOM 1385 CA GLY A 88 -8.554 -9.412 -2.528 1.00 4.22 C ATOM 1386 C GLY A 88 -9.955 -9.997 -2.344 1.00 42.01 C ATOM 1387 O GLY A 88 -10.493 -10.620 -3.256 1.00 34.31 O ATOM 0 H GLY A 88 -7.605 -8.260 -1.050 1.00 60.03 H new ATOM 0 HA2 GLY A 88 -8.391 -9.211 -3.587 1.00 4.22 H new ATOM 0 HA3 GLY A 88 -7.817 -10.157 -2.228 1.00 4.22 H new ATOM 1391 N ALA A 89 -10.543 -9.805 -1.164 1.00 73.22 N ATOM 1392 CA ALA A 89 -11.885 -10.331 -0.869 1.00 73.12 C ATOM 1393 C ALA A 89 -13.001 -9.425 -1.418 1.00 74.15 C ATOM 1394 O ALA A 89 -13.847 -9.862 -2.201 1.00 41.22 O ATOM 1395 CB ALA A 89 -12.054 -10.517 0.637 1.00 1.44 C ATOM 0 H ALA A 89 -10.116 -9.290 -0.394 1.00 73.22 H new ATOM 0 HA ALA A 89 -11.974 -11.295 -1.371 1.00 73.12 H new ATOM 0 HB1 ALA A 89 -13.050 -10.907 0.846 1.00 1.44 H new ATOM 0 HB2 ALA A 89 -11.305 -11.220 1.003 1.00 1.44 H new ATOM 0 HB3 ALA A 89 -11.927 -9.558 1.139 1.00 1.44 H new ATOM 1401 N SER A 90 -12.999 -8.161 -0.998 1.00 51.31 N ATOM 1402 CA SER A 90 -14.066 -7.217 -1.366 1.00 42.21 C ATOM 1403 C SER A 90 -13.898 -6.685 -2.799 1.00 24.41 C ATOM 1404 O SER A 90 -14.878 -6.490 -3.523 1.00 73.22 O ATOM 1405 CB SER A 90 -14.098 -6.045 -0.371 1.00 61.40 C ATOM 1406 OG SER A 90 -15.163 -5.148 -0.653 1.00 5.24 O ATOM 0 H SER A 90 -12.273 -7.762 -0.403 1.00 51.31 H new ATOM 0 HA SER A 90 -15.011 -7.759 -1.326 1.00 42.21 H new ATOM 0 HB2 SER A 90 -14.205 -6.431 0.643 1.00 61.40 H new ATOM 0 HB3 SER A 90 -13.150 -5.509 -0.409 1.00 61.40 H new ATOM 0 HG SER A 90 -15.155 -4.416 -0.001 1.00 5.24 H new ATOM 1412 N LEU A 91 -12.655 -6.446 -3.210 1.00 42.25 N ATOM 1413 CA LEU A 91 -12.371 -5.887 -4.540 1.00 43.13 C ATOM 1414 C LEU A 91 -11.892 -6.956 -5.541 1.00 32.31 C ATOM 1415 O LEU A 91 -12.246 -6.910 -6.719 1.00 61.31 O ATOM 1416 CB LEU A 91 -11.325 -4.771 -4.406 1.00 64.24 C ATOM 1417 CG LEU A 91 -11.824 -3.487 -3.716 1.00 30.45 C ATOM 1418 CD1 LEU A 91 -10.653 -2.658 -3.192 1.00 30.21 C ATOM 1419 CD2 LEU A 91 -12.667 -2.662 -4.688 1.00 70.14 C ATOM 0 H LEU A 91 -11.825 -6.629 -2.646 1.00 42.25 H new ATOM 0 HA LEU A 91 -13.302 -5.483 -4.938 1.00 43.13 H new ATOM 0 HB2 LEU A 91 -10.473 -5.158 -3.847 1.00 64.24 H new ATOM 0 HB3 LEU A 91 -10.962 -4.513 -5.401 1.00 64.24 H new ATOM 0 HG LEU A 91 -12.443 -3.773 -2.866 1.00 30.45 H new ATOM 0 HD11 LEU A 91 -11.032 -1.757 -2.709 1.00 30.21 H new ATOM 0 HD12 LEU A 91 -10.086 -3.245 -2.470 1.00 30.21 H new ATOM 0 HD13 LEU A 91 -10.004 -2.379 -4.022 1.00 30.21 H new ATOM 0 HD21 LEU A 91 -13.015 -1.757 -4.190 1.00 70.14 H new ATOM 0 HD22 LEU A 91 -12.063 -2.391 -5.554 1.00 70.14 H new ATOM 0 HD23 LEU A 91 -13.525 -3.249 -5.014 1.00 70.14 H new ATOM 1431 N ARG A 92 -11.097 -7.918 -5.066 1.00 74.44 N ATOM 1432 CA ARG A 92 -10.532 -8.978 -5.923 1.00 44.23 C ATOM 1433 C ARG A 92 -9.763 -8.379 -7.121 1.00 1.10 C ATOM 1434 O ARG A 92 -9.668 -8.975 -8.197 1.00 41.34 O ATOM 1435 CB ARG A 92 -11.660 -9.917 -6.384 1.00 73.10 C ATOM 1436 CG ARG A 92 -11.182 -11.215 -7.033 1.00 11.05 C ATOM 1437 CD ARG A 92 -12.311 -12.239 -7.122 1.00 42.10 C ATOM 1438 NE ARG A 92 -12.784 -12.638 -5.793 1.00 31.31 N ATOM 1439 CZ ARG A 92 -13.917 -12.257 -5.262 1.00 35.20 C ATOM 1440 NH1 ARG A 92 -14.718 -11.469 -5.907 1.00 52.31 N ATOM 1441 NH2 ARG A 92 -14.235 -12.653 -4.071 1.00 73.34 N ATOM 0 H ARG A 92 -10.825 -7.989 -4.086 1.00 74.44 H new ATOM 0 HA ARG A 92 -9.811 -9.557 -5.346 1.00 44.23 H new ATOM 0 HB2 ARG A 92 -12.283 -10.164 -5.525 1.00 73.10 H new ATOM 0 HB3 ARG A 92 -12.292 -9.383 -7.093 1.00 73.10 H new ATOM 0 HG2 ARG A 92 -10.799 -11.005 -8.032 1.00 11.05 H new ATOM 0 HG3 ARG A 92 -10.356 -11.630 -6.455 1.00 11.05 H new ATOM 0 HD2 ARG A 92 -13.139 -11.819 -7.693 1.00 42.10 H new ATOM 0 HD3 ARG A 92 -11.963 -13.118 -7.664 1.00 42.10 H new ATOM 0 HE ARG A 92 -12.187 -13.256 -5.244 1.00 31.31 H new ATOM 0 HH11 ARG A 92 -14.468 -11.139 -6.839 1.00 52.31 H new ATOM 0 HH12 ARG A 92 -15.599 -11.179 -5.483 1.00 52.31 H new ATOM 0 HH21 ARG A 92 -13.603 -13.260 -3.550 1.00 73.34 H new ATOM 0 HH22 ARG A 92 -15.118 -12.358 -3.654 1.00 73.34 H new ATOM 1455 N LEU A 93 -9.183 -7.203 -6.898 1.00 30.22 N ATOM 1456 CA LEU A 93 -8.461 -6.460 -7.941 1.00 23.43 C ATOM 1457 C LEU A 93 -7.067 -7.054 -8.223 1.00 73.02 C ATOM 1458 O LEU A 93 -6.712 -8.117 -7.709 1.00 64.23 O ATOM 1459 CB LEU A 93 -8.354 -4.978 -7.522 1.00 53.13 C ATOM 1460 CG LEU A 93 -7.857 -4.710 -6.080 1.00 55.14 C ATOM 1461 CD1 LEU A 93 -6.366 -4.996 -5.921 1.00 73.34 C ATOM 1462 CD2 LEU A 93 -8.167 -3.279 -5.661 1.00 13.13 C ATOM 0 H LEU A 93 -9.197 -6.734 -5.992 1.00 30.22 H new ATOM 0 HA LEU A 93 -9.024 -6.541 -8.871 1.00 23.43 H new ATOM 0 HB2 LEU A 93 -7.681 -4.473 -8.216 1.00 53.13 H new ATOM 0 HB3 LEU A 93 -9.335 -4.517 -7.637 1.00 53.13 H new ATOM 0 HG LEU A 93 -8.393 -5.397 -5.425 1.00 55.14 H new ATOM 0 HD11 LEU A 93 -6.064 -4.793 -4.893 1.00 73.34 H new ATOM 0 HD12 LEU A 93 -6.169 -6.042 -6.158 1.00 73.34 H new ATOM 0 HD13 LEU A 93 -5.799 -4.357 -6.598 1.00 73.34 H new ATOM 0 HD21 LEU A 93 -7.810 -3.112 -4.645 1.00 13.13 H new ATOM 0 HD22 LEU A 93 -7.670 -2.585 -6.339 1.00 13.13 H new ATOM 0 HD23 LEU A 93 -9.244 -3.114 -5.699 1.00 13.13 H new ATOM 1474 N GLU A 94 -6.292 -6.362 -9.060 1.00 12.12 N ATOM 1475 CA GLU A 94 -4.897 -6.740 -9.340 1.00 32.40 C ATOM 1476 C GLU A 94 -4.056 -6.736 -8.051 1.00 62.41 C ATOM 1477 O GLU A 94 -3.714 -5.678 -7.528 1.00 13.02 O ATOM 1478 CB GLU A 94 -4.288 -5.772 -10.366 1.00 63.34 C ATOM 1479 CG GLU A 94 -5.089 -5.645 -11.661 1.00 15.50 C ATOM 1480 CD GLU A 94 -5.074 -6.911 -12.504 1.00 12.04 C ATOM 1481 OE1 GLU A 94 -5.861 -7.840 -12.218 1.00 50.43 O ATOM 1482 OE2 GLU A 94 -4.280 -6.976 -13.468 1.00 12.33 O ATOM 0 H GLU A 94 -6.605 -5.531 -9.561 1.00 12.12 H new ATOM 0 HA GLU A 94 -4.892 -7.750 -9.749 1.00 32.40 H new ATOM 0 HB2 GLU A 94 -4.198 -4.786 -9.910 1.00 63.34 H new ATOM 0 HB3 GLU A 94 -3.279 -6.105 -10.608 1.00 63.34 H new ATOM 0 HG2 GLU A 94 -6.121 -5.390 -11.418 1.00 15.50 H new ATOM 0 HG3 GLU A 94 -4.687 -4.820 -12.249 1.00 15.50 H new ATOM 1489 N THR A 95 -3.744 -7.922 -7.534 1.00 60.21 N ATOM 1490 CA THR A 95 -3.022 -8.052 -6.256 1.00 22.12 C ATOM 1491 C THR A 95 -1.538 -8.417 -6.432 1.00 74.22 C ATOM 1492 O THR A 95 -1.011 -8.459 -7.548 1.00 33.21 O ATOM 1493 CB THR A 95 -3.693 -9.116 -5.349 1.00 31.30 C ATOM 1494 OG1 THR A 95 -3.859 -10.350 -6.071 1.00 42.24 O ATOM 1495 CG2 THR A 95 -5.045 -8.629 -4.838 1.00 53.11 C ATOM 0 H THR A 95 -3.977 -8.812 -7.975 1.00 60.21 H new ATOM 0 HA THR A 95 -3.072 -7.069 -5.789 1.00 22.12 H new ATOM 0 HB THR A 95 -3.043 -9.285 -4.491 1.00 31.30 H new ATOM 0 HG1 THR A 95 -4.282 -11.015 -5.489 1.00 42.24 H new ATOM 0 HG21 THR A 95 -5.492 -9.395 -4.205 1.00 53.11 H new ATOM 0 HG22 THR A 95 -4.908 -7.715 -4.260 1.00 53.11 H new ATOM 0 HG23 THR A 95 -5.703 -8.428 -5.684 1.00 53.11 H new ATOM 1503 N PHE A 96 -0.867 -8.664 -5.306 1.00 32.12 N ATOM 1504 CA PHE A 96 0.553 -9.038 -5.289 1.00 50.11 C ATOM 1505 C PHE A 96 0.877 -9.891 -4.049 1.00 73.20 C ATOM 1506 O PHE A 96 -0.007 -10.195 -3.244 1.00 34.10 O ATOM 1507 CB PHE A 96 1.441 -7.779 -5.326 1.00 44.54 C ATOM 1508 CG PHE A 96 1.235 -6.832 -4.163 1.00 11.13 C ATOM 1509 CD1 PHE A 96 0.223 -5.882 -4.191 1.00 63.42 C ATOM 1510 CD2 PHE A 96 2.060 -6.886 -3.048 1.00 13.21 C ATOM 1511 CE1 PHE A 96 0.038 -5.011 -3.134 1.00 12.04 C ATOM 1512 CE2 PHE A 96 1.877 -6.018 -1.987 1.00 51.11 C ATOM 1513 CZ PHE A 96 0.865 -5.081 -2.031 1.00 14.13 C ATOM 0 H PHE A 96 -1.290 -8.611 -4.379 1.00 32.12 H new ATOM 0 HA PHE A 96 0.761 -9.635 -6.177 1.00 50.11 H new ATOM 0 HB2 PHE A 96 2.486 -8.087 -5.346 1.00 44.54 H new ATOM 0 HB3 PHE A 96 1.249 -7.241 -6.255 1.00 44.54 H new ATOM 0 HD1 PHE A 96 -0.428 -5.823 -5.050 1.00 63.42 H new ATOM 0 HD2 PHE A 96 2.855 -7.616 -3.009 1.00 13.21 H new ATOM 0 HE1 PHE A 96 -0.753 -4.276 -3.171 1.00 12.04 H new ATOM 0 HE2 PHE A 96 2.525 -6.073 -1.125 1.00 51.11 H new ATOM 0 HZ PHE A 96 0.720 -4.403 -1.203 1.00 14.13 H new ATOM 1523 N ASP A 97 2.134 -10.298 -3.914 1.00 14.31 N ATOM 1524 CA ASP A 97 2.585 -11.056 -2.743 1.00 40.04 C ATOM 1525 C ASP A 97 3.377 -10.149 -1.782 1.00 2.23 C ATOM 1526 O ASP A 97 4.026 -9.198 -2.212 1.00 4.00 O ATOM 1527 CB ASP A 97 3.440 -12.246 -3.199 1.00 31.23 C ATOM 1528 CG ASP A 97 3.915 -13.096 -2.036 1.00 12.12 C ATOM 1529 OD1 ASP A 97 3.167 -13.997 -1.600 1.00 11.30 O ATOM 1530 OD2 ASP A 97 5.033 -12.863 -1.541 1.00 53.43 O ATOM 0 H ASP A 97 2.865 -10.117 -4.602 1.00 14.31 H new ATOM 0 HA ASP A 97 1.715 -11.432 -2.205 1.00 40.04 H new ATOM 0 HB2 ASP A 97 2.861 -12.864 -3.885 1.00 31.23 H new ATOM 0 HB3 ASP A 97 4.304 -11.878 -3.753 1.00 31.23 H new ATOM 1535 N ALA A 98 3.326 -10.453 -0.486 1.00 53.00 N ATOM 1536 CA ALA A 98 3.987 -9.627 0.535 1.00 2.41 C ATOM 1537 C ALA A 98 5.492 -9.444 0.261 1.00 25.21 C ATOM 1538 O ALA A 98 6.063 -8.388 0.545 1.00 35.45 O ATOM 1539 CB ALA A 98 3.771 -10.234 1.917 1.00 20.24 C ATOM 0 H ALA A 98 2.834 -11.265 -0.113 1.00 53.00 H new ATOM 0 HA ALA A 98 3.533 -8.637 0.495 1.00 2.41 H new ATOM 0 HB1 ALA A 98 4.264 -9.616 2.667 1.00 20.24 H new ATOM 0 HB2 ALA A 98 2.703 -10.281 2.131 1.00 20.24 H new ATOM 0 HB3 ALA A 98 4.191 -11.239 1.942 1.00 20.24 H new ATOM 1545 N ASN A 99 6.127 -10.467 -0.305 1.00 62.22 N ATOM 1546 CA ASN A 99 7.564 -10.423 -0.594 1.00 73.15 C ATOM 1547 C ASN A 99 7.878 -9.539 -1.815 1.00 24.50 C ATOM 1548 O ASN A 99 8.979 -8.990 -1.919 1.00 52.33 O ATOM 1549 CB ASN A 99 8.108 -11.840 -0.805 1.00 34.43 C ATOM 1550 CG ASN A 99 7.985 -12.693 0.446 1.00 52.32 C ATOM 1551 OD1 ASN A 99 8.872 -12.710 1.292 1.00 2.42 O ATOM 1552 ND2 ASN A 99 6.888 -13.411 0.574 1.00 51.20 N ATOM 0 H ASN A 99 5.671 -11.339 -0.574 1.00 62.22 H new ATOM 0 HA ASN A 99 8.059 -9.976 0.268 1.00 73.15 H new ATOM 0 HB2 ASN A 99 7.568 -12.317 -1.623 1.00 34.43 H new ATOM 0 HB3 ASN A 99 9.155 -11.785 -1.104 1.00 34.43 H new ATOM 0 HD21 ASN A 99 6.759 -14.003 1.395 1.00 51.20 H new ATOM 0 HD22 ASN A 99 6.168 -13.375 -0.148 1.00 51.20 H new ATOM 1559 N ASP A 100 6.913 -9.390 -2.729 1.00 64.11 N ATOM 1560 CA ASP A 100 7.079 -8.494 -3.886 1.00 62.43 C ATOM 1561 C ASP A 100 7.454 -7.075 -3.429 1.00 71.32 C ATOM 1562 O ASP A 100 8.334 -6.433 -4.001 1.00 51.42 O ATOM 1563 CB ASP A 100 5.791 -8.426 -4.731 1.00 41.44 C ATOM 1564 CG ASP A 100 5.452 -9.727 -5.443 1.00 40.13 C ATOM 1565 OD1 ASP A 100 6.356 -10.566 -5.639 1.00 1.34 O ATOM 1566 OD2 ASP A 100 4.278 -9.898 -5.846 1.00 42.41 O ATOM 0 H ASP A 100 6.015 -9.872 -2.694 1.00 64.11 H new ATOM 0 HA ASP A 100 7.883 -8.904 -4.497 1.00 62.43 H new ATOM 0 HB2 ASP A 100 4.958 -8.149 -4.085 1.00 41.44 H new ATOM 0 HB3 ASP A 100 5.896 -7.634 -5.472 1.00 41.44 H new ATOM 1571 N LEU A 101 6.775 -6.608 -2.384 1.00 21.03 N ATOM 1572 CA LEU A 101 6.985 -5.260 -1.849 1.00 62.34 C ATOM 1573 C LEU A 101 8.072 -5.226 -0.757 1.00 71.40 C ATOM 1574 O LEU A 101 9.013 -4.433 -0.833 1.00 43.34 O ATOM 1575 CB LEU A 101 5.660 -4.728 -1.287 1.00 15.21 C ATOM 1576 CG LEU A 101 5.723 -3.344 -0.620 1.00 44.24 C ATOM 1577 CD1 LEU A 101 6.214 -2.276 -1.600 1.00 30.32 C ATOM 1578 CD2 LEU A 101 4.358 -2.974 -0.045 1.00 11.21 C ATOM 0 H LEU A 101 6.067 -7.147 -1.885 1.00 21.03 H new ATOM 0 HA LEU A 101 7.332 -4.626 -2.665 1.00 62.34 H new ATOM 0 HB2 LEU A 101 4.934 -4.686 -2.099 1.00 15.21 H new ATOM 0 HB3 LEU A 101 5.283 -5.445 -0.558 1.00 15.21 H new ATOM 0 HG LEU A 101 6.443 -3.391 0.197 1.00 44.24 H new ATOM 0 HD11 LEU A 101 6.247 -1.309 -1.098 1.00 30.32 H new ATOM 0 HD12 LEU A 101 7.212 -2.537 -1.952 1.00 30.32 H new ATOM 0 HD13 LEU A 101 5.533 -2.221 -2.449 1.00 30.32 H new ATOM 0 HD21 LEU A 101 4.415 -1.992 0.425 1.00 11.21 H new ATOM 0 HD22 LEU A 101 3.620 -2.950 -0.847 1.00 11.21 H new ATOM 0 HD23 LEU A 101 4.063 -3.715 0.698 1.00 11.21 H new ATOM 1590 N TYR A 102 7.944 -6.094 0.248 1.00 72.41 N ATOM 1591 CA TYR A 102 8.865 -6.098 1.395 1.00 42.13 C ATOM 1592 C TYR A 102 10.307 -6.442 0.985 1.00 2.24 C ATOM 1593 O TYR A 102 11.258 -5.817 1.453 1.00 41.53 O ATOM 1594 CB TYR A 102 8.371 -7.081 2.468 1.00 72.43 C ATOM 1595 CG TYR A 102 9.238 -7.113 3.715 1.00 12.35 C ATOM 1596 CD1 TYR A 102 9.287 -6.027 4.585 1.00 24.41 C ATOM 1597 CD2 TYR A 102 10.008 -8.229 4.024 1.00 3.51 C ATOM 1598 CE1 TYR A 102 10.078 -6.053 5.722 1.00 61.00 C ATOM 1599 CE2 TYR A 102 10.800 -8.261 5.156 1.00 52.21 C ATOM 1600 CZ TYR A 102 10.834 -7.173 6.002 1.00 5.51 C ATOM 1601 OH TYR A 102 11.621 -7.212 7.135 1.00 11.42 O ATOM 0 H TYR A 102 7.213 -6.804 0.295 1.00 72.41 H new ATOM 0 HA TYR A 102 8.877 -5.088 1.804 1.00 42.13 H new ATOM 0 HB2 TYR A 102 7.353 -6.814 2.751 1.00 72.43 H new ATOM 0 HB3 TYR A 102 8.330 -8.082 2.039 1.00 72.43 H new ATOM 0 HD1 TYR A 102 8.697 -5.148 4.369 1.00 24.41 H new ATOM 0 HD2 TYR A 102 9.987 -9.086 3.367 1.00 3.51 H new ATOM 0 HE1 TYR A 102 10.103 -5.201 6.386 1.00 61.00 H new ATOM 0 HE2 TYR A 102 11.391 -9.137 5.378 1.00 52.21 H new ATOM 0 HH TYR A 102 12.086 -8.073 7.181 1.00 11.42 H new ATOM 1611 N GLN A 103 10.466 -7.434 0.113 1.00 1.42 N ATOM 1612 CA GLN A 103 11.796 -7.838 -0.361 1.00 45.34 C ATOM 1613 C GLN A 103 12.171 -7.119 -1.671 1.00 62.32 C ATOM 1614 O GLN A 103 13.211 -7.399 -2.275 1.00 60.11 O ATOM 1615 CB GLN A 103 11.840 -9.361 -0.554 1.00 62.22 C ATOM 1616 CG GLN A 103 11.652 -10.159 0.739 1.00 64.42 C ATOM 1617 CD GLN A 103 12.772 -9.925 1.741 1.00 31.33 C ATOM 1618 OE1 GLN A 103 13.910 -9.652 1.371 1.00 41.32 O ATOM 1619 NE2 GLN A 103 12.467 -10.042 3.017 1.00 13.25 N ATOM 0 H GLN A 103 9.696 -7.974 -0.281 1.00 1.42 H new ATOM 0 HA GLN A 103 12.528 -7.549 0.393 1.00 45.34 H new ATOM 0 HB2 GLN A 103 11.064 -9.650 -1.263 1.00 62.22 H new ATOM 0 HB3 GLN A 103 12.796 -9.633 -1.001 1.00 62.22 H new ATOM 0 HG2 GLN A 103 10.700 -9.886 1.194 1.00 64.42 H new ATOM 0 HG3 GLN A 103 11.599 -11.221 0.501 1.00 64.42 H new ATOM 0 HE21 GLN A 103 11.512 -10.270 3.294 1.00 13.25 H new ATOM 0 HE22 GLN A 103 13.186 -9.905 3.728 1.00 13.25 H new ATOM 1628 N GLY A 104 11.314 -6.189 -2.099 1.00 73.10 N ATOM 1629 CA GLY A 104 11.558 -5.424 -3.318 1.00 21.21 C ATOM 1630 C GLY A 104 11.711 -6.286 -4.573 1.00 50.23 C ATOM 1631 O GLY A 104 12.358 -5.871 -5.538 1.00 33.20 O ATOM 0 H GLY A 104 10.447 -5.950 -1.618 1.00 73.10 H new ATOM 0 HA2 GLY A 104 10.735 -4.726 -3.467 1.00 21.21 H new ATOM 0 HA3 GLY A 104 12.461 -4.828 -3.186 1.00 21.21 H new ATOM 1635 N GLN A 105 11.107 -7.478 -4.571 1.00 20.23 N ATOM 1636 CA GLN A 105 11.208 -8.400 -5.710 1.00 3.11 C ATOM 1637 C GLN A 105 10.460 -7.858 -6.939 1.00 3.24 C ATOM 1638 O GLN A 105 11.075 -7.389 -7.899 1.00 45.14 O ATOM 1639 CB GLN A 105 10.661 -9.791 -5.342 1.00 72.55 C ATOM 1640 CG GLN A 105 11.361 -10.444 -4.154 1.00 75.42 C ATOM 1641 CD GLN A 105 10.935 -11.887 -3.952 1.00 74.11 C ATOM 1642 OE1 GLN A 105 9.968 -12.175 -3.255 1.00 52.24 O ATOM 1643 NE2 GLN A 105 11.652 -12.803 -4.565 1.00 11.15 N ATOM 0 H GLN A 105 10.544 -7.828 -3.796 1.00 20.23 H new ATOM 0 HA GLN A 105 12.265 -8.489 -5.960 1.00 3.11 H new ATOM 0 HB2 GLN A 105 9.598 -9.704 -5.120 1.00 72.55 H new ATOM 0 HB3 GLN A 105 10.753 -10.446 -6.208 1.00 72.55 H new ATOM 0 HG2 GLN A 105 12.440 -10.404 -4.305 1.00 75.42 H new ATOM 0 HG3 GLN A 105 11.144 -9.874 -3.250 1.00 75.42 H new ATOM 0 HE21 GLN A 105 12.450 -12.527 -5.137 1.00 11.15 H new ATOM 0 HE22 GLN A 105 11.410 -13.789 -4.468 1.00 11.15 H new ATOM 1652 N ASN A 106 9.134 -7.914 -6.892 1.00 43.14 N ATOM 1653 CA ASN A 106 8.291 -7.459 -8.002 1.00 73.12 C ATOM 1654 C ASN A 106 7.478 -6.220 -7.607 1.00 63.04 C ATOM 1655 O ASN A 106 6.261 -6.296 -7.417 1.00 23.11 O ATOM 1656 CB ASN A 106 7.346 -8.587 -8.434 1.00 65.13 C ATOM 1657 CG ASN A 106 8.087 -9.815 -8.926 1.00 63.54 C ATOM 1658 OD1 ASN A 106 9.140 -9.717 -9.545 1.00 51.02 O ATOM 1659 ND2 ASN A 106 7.554 -10.985 -8.642 1.00 64.34 N ATOM 0 H ASN A 106 8.612 -8.272 -6.092 1.00 43.14 H new ATOM 0 HA ASN A 106 8.940 -7.189 -8.835 1.00 73.12 H new ATOM 0 HB2 ASN A 106 6.710 -8.864 -7.594 1.00 65.13 H new ATOM 0 HB3 ASN A 106 6.690 -8.223 -9.224 1.00 65.13 H new ATOM 0 HD21 ASN A 106 8.019 -11.843 -8.939 1.00 64.34 H new ATOM 0 HD22 ASN A 106 6.676 -11.033 -8.125 1.00 64.34 H new ATOM 1666 N PHE A 107 8.152 -5.078 -7.470 1.00 74.23 N ATOM 1667 CA PHE A 107 7.470 -3.829 -7.113 1.00 1.35 C ATOM 1668 C PHE A 107 6.477 -3.413 -8.206 1.00 31.21 C ATOM 1669 O PHE A 107 5.460 -2.786 -7.921 1.00 33.25 O ATOM 1670 CB PHE A 107 8.479 -2.701 -6.851 1.00 31.12 C ATOM 1671 CG PHE A 107 7.825 -1.390 -6.482 1.00 45.34 C ATOM 1672 CD1 PHE A 107 7.256 -1.214 -5.227 1.00 23.11 C ATOM 1673 CD2 PHE A 107 7.769 -0.342 -7.390 1.00 64.43 C ATOM 1674 CE1 PHE A 107 6.647 -0.021 -4.890 1.00 31.34 C ATOM 1675 CE2 PHE A 107 7.162 0.852 -7.054 1.00 13.53 C ATOM 1676 CZ PHE A 107 6.600 1.012 -5.805 1.00 14.45 C ATOM 0 H PHE A 107 9.160 -4.989 -7.599 1.00 74.23 H new ATOM 0 HA PHE A 107 6.914 -4.010 -6.193 1.00 1.35 H new ATOM 0 HB2 PHE A 107 9.151 -3.003 -6.048 1.00 31.12 H new ATOM 0 HB3 PHE A 107 9.091 -2.556 -7.741 1.00 31.12 H new ATOM 0 HD1 PHE A 107 7.290 -2.018 -4.507 1.00 23.11 H new ATOM 0 HD2 PHE A 107 8.205 -0.462 -8.371 1.00 64.43 H new ATOM 0 HE1 PHE A 107 6.208 0.104 -3.911 1.00 31.34 H new ATOM 0 HE2 PHE A 107 7.127 1.660 -7.769 1.00 13.53 H new ATOM 0 HZ PHE A 107 6.123 1.945 -5.543 1.00 14.45 H new ATOM 1686 N ASN A 108 6.778 -3.768 -9.452 1.00 21.12 N ATOM 1687 CA ASN A 108 5.872 -3.507 -10.578 1.00 53.20 C ATOM 1688 C ASN A 108 4.446 -4.035 -10.310 1.00 52.44 C ATOM 1689 O ASN A 108 3.459 -3.361 -10.613 1.00 43.02 O ATOM 1690 CB ASN A 108 6.445 -4.111 -11.871 1.00 74.34 C ATOM 1691 CG ASN A 108 6.934 -5.546 -11.701 1.00 21.31 C ATOM 1692 OD1 ASN A 108 6.429 -6.301 -10.880 1.00 72.33 O ATOM 1693 ND2 ASN A 108 7.929 -5.928 -12.472 1.00 12.03 N ATOM 0 H ASN A 108 7.644 -4.239 -9.713 1.00 21.12 H new ATOM 0 HA ASN A 108 5.794 -2.426 -10.696 1.00 53.20 H new ATOM 0 HB2 ASN A 108 5.680 -4.085 -12.647 1.00 74.34 H new ATOM 0 HB3 ASN A 108 7.272 -3.491 -12.218 1.00 74.34 H new ATOM 0 HD21 ASN A 108 8.300 -6.875 -12.395 1.00 12.03 H new ATOM 0 HD22 ASN A 108 8.330 -5.277 -13.147 1.00 12.03 H new ATOM 1700 N LYS A 109 4.349 -5.229 -9.722 1.00 0.34 N ATOM 1701 CA LYS A 109 3.053 -5.822 -9.364 1.00 11.35 C ATOM 1702 C LYS A 109 2.372 -5.040 -8.230 1.00 65.23 C ATOM 1703 O LYS A 109 1.143 -5.018 -8.124 1.00 74.41 O ATOM 1704 CB LYS A 109 3.241 -7.288 -8.946 1.00 31.31 C ATOM 1705 CG LYS A 109 3.811 -8.170 -10.054 1.00 42.02 C ATOM 1706 CD LYS A 109 4.080 -9.604 -9.593 1.00 70.34 C ATOM 1707 CE LYS A 109 2.812 -10.355 -9.198 1.00 40.34 C ATOM 1708 NZ LYS A 109 2.363 -10.018 -7.825 1.00 53.34 N ATOM 0 H LYS A 109 5.154 -5.808 -9.482 1.00 0.34 H new ATOM 0 HA LYS A 109 2.410 -5.774 -10.243 1.00 11.35 H new ATOM 0 HB2 LYS A 109 3.905 -7.329 -8.083 1.00 31.31 H new ATOM 0 HB3 LYS A 109 2.280 -7.693 -8.629 1.00 31.31 H new ATOM 0 HG2 LYS A 109 3.114 -8.188 -10.892 1.00 42.02 H new ATOM 0 HG3 LYS A 109 4.739 -7.731 -10.420 1.00 42.02 H new ATOM 0 HD2 LYS A 109 4.583 -10.148 -10.393 1.00 70.34 H new ATOM 0 HD3 LYS A 109 4.762 -9.584 -8.743 1.00 70.34 H new ATOM 0 HE2 LYS A 109 2.017 -10.119 -9.906 1.00 40.34 H new ATOM 0 HE3 LYS A 109 2.992 -11.428 -9.266 1.00 40.34 H new ATOM 0 HZ1 LYS A 109 2.027 -10.879 -7.348 1.00 53.34 H new ATOM 0 HZ2 LYS A 109 3.157 -9.613 -7.289 1.00 53.34 H new ATOM 0 HZ3 LYS A 109 1.589 -9.325 -7.873 1.00 53.34 H new ATOM 1722 N VAL A 110 3.179 -4.413 -7.377 1.00 10.52 N ATOM 1723 CA VAL A 110 2.664 -3.583 -6.284 1.00 34.30 C ATOM 1724 C VAL A 110 2.159 -2.235 -6.818 1.00 42.13 C ATOM 1725 O VAL A 110 1.052 -1.802 -6.506 1.00 21.31 O ATOM 1726 CB VAL A 110 3.752 -3.326 -5.211 1.00 53.32 C ATOM 1727 CG1 VAL A 110 3.174 -2.576 -4.009 1.00 42.45 C ATOM 1728 CG2 VAL A 110 4.405 -4.636 -4.778 1.00 53.02 C ATOM 0 H VAL A 110 4.197 -4.463 -7.420 1.00 10.52 H new ATOM 0 HA VAL A 110 1.838 -4.128 -5.827 1.00 34.30 H new ATOM 0 HB VAL A 110 4.522 -2.696 -5.656 1.00 53.32 H new ATOM 0 HG11 VAL A 110 3.960 -2.409 -3.272 1.00 42.45 H new ATOM 0 HG12 VAL A 110 2.774 -1.616 -4.337 1.00 42.45 H new ATOM 0 HG13 VAL A 110 2.376 -3.167 -3.561 1.00 42.45 H new ATOM 0 HG21 VAL A 110 5.166 -4.432 -4.024 1.00 53.02 H new ATOM 0 HG22 VAL A 110 3.648 -5.299 -4.359 1.00 53.02 H new ATOM 0 HG23 VAL A 110 4.868 -5.114 -5.641 1.00 53.02 H new ATOM 1738 N LEU A 111 2.986 -1.582 -7.633 1.00 1.14 N ATOM 1739 CA LEU A 111 2.637 -0.298 -8.247 1.00 22.11 C ATOM 1740 C LEU A 111 1.353 -0.416 -9.081 1.00 5.21 C ATOM 1741 O LEU A 111 0.467 0.437 -9.000 1.00 74.25 O ATOM 1742 CB LEU A 111 3.800 0.192 -9.126 1.00 41.50 C ATOM 1743 CG LEU A 111 3.623 1.594 -9.735 1.00 31.42 C ATOM 1744 CD1 LEU A 111 3.536 2.655 -8.640 1.00 21.22 C ATOM 1745 CD2 LEU A 111 4.764 1.906 -10.701 1.00 0.11 C ATOM 0 H LEU A 111 3.913 -1.924 -7.887 1.00 1.14 H new ATOM 0 HA LEU A 111 2.456 0.426 -7.453 1.00 22.11 H new ATOM 0 HB2 LEU A 111 4.712 0.187 -8.529 1.00 41.50 H new ATOM 0 HB3 LEU A 111 3.946 -0.522 -9.937 1.00 41.50 H new ATOM 0 HG LEU A 111 2.687 1.608 -10.293 1.00 31.42 H new ATOM 0 HD11 LEU A 111 3.411 3.638 -9.095 1.00 21.22 H new ATOM 0 HD12 LEU A 111 2.684 2.443 -7.995 1.00 21.22 H new ATOM 0 HD13 LEU A 111 4.451 2.643 -8.048 1.00 21.22 H new ATOM 0 HD21 LEU A 111 4.622 2.901 -11.122 1.00 0.11 H new ATOM 0 HD22 LEU A 111 5.713 1.870 -10.167 1.00 0.11 H new ATOM 0 HD23 LEU A 111 4.772 1.170 -11.505 1.00 0.11 H new ATOM 1757 N SER A 112 1.257 -1.482 -9.876 1.00 34.44 N ATOM 1758 CA SER A 112 0.052 -1.747 -10.673 1.00 62.44 C ATOM 1759 C SER A 112 -1.163 -1.984 -9.767 1.00 70.54 C ATOM 1760 O SER A 112 -2.276 -1.557 -10.078 1.00 52.23 O ATOM 1761 CB SER A 112 0.264 -2.967 -11.580 1.00 15.43 C ATOM 1762 OG SER A 112 0.483 -4.145 -10.821 1.00 32.12 O ATOM 0 H SER A 112 1.996 -2.176 -9.987 1.00 34.44 H new ATOM 0 HA SER A 112 -0.138 -0.870 -11.292 1.00 62.44 H new ATOM 0 HB2 SER A 112 -0.608 -3.102 -12.220 1.00 15.43 H new ATOM 0 HB3 SER A 112 1.117 -2.791 -12.235 1.00 15.43 H new ATOM 0 HG SER A 112 0.613 -4.905 -11.426 1.00 32.12 H new ATOM 1768 N SER A 113 -0.939 -2.672 -8.648 1.00 61.11 N ATOM 1769 CA SER A 113 -1.995 -2.913 -7.651 1.00 13.11 C ATOM 1770 C SER A 113 -2.510 -1.595 -7.058 1.00 32.34 C ATOM 1771 O SER A 113 -3.718 -1.378 -6.953 1.00 24.43 O ATOM 1772 CB SER A 113 -1.473 -3.816 -6.524 1.00 33.13 C ATOM 1773 OG SER A 113 -2.488 -4.097 -5.575 1.00 42.52 O ATOM 0 H SER A 113 -0.035 -3.076 -8.404 1.00 61.11 H new ATOM 0 HA SER A 113 -2.821 -3.411 -8.158 1.00 13.11 H new ATOM 0 HB2 SER A 113 -1.099 -4.749 -6.946 1.00 33.13 H new ATOM 0 HB3 SER A 113 -0.632 -3.332 -6.027 1.00 33.13 H new ATOM 0 HG SER A 113 -3.164 -4.678 -5.982 1.00 42.52 H new ATOM 1779 N LEU A 114 -1.582 -0.714 -6.689 1.00 72.40 N ATOM 1780 CA LEU A 114 -1.925 0.612 -6.159 1.00 4.42 C ATOM 1781 C LEU A 114 -2.755 1.415 -7.174 1.00 23.32 C ATOM 1782 O LEU A 114 -3.810 1.960 -6.839 1.00 60.01 O ATOM 1783 CB LEU A 114 -0.644 1.378 -5.799 1.00 44.43 C ATOM 1784 CG LEU A 114 0.240 0.705 -4.734 1.00 3.32 C ATOM 1785 CD1 LEU A 114 1.560 1.453 -4.574 1.00 65.12 C ATOM 1786 CD2 LEU A 114 -0.498 0.612 -3.399 1.00 32.33 C ATOM 0 H LEU A 114 -0.579 -0.893 -6.746 1.00 72.40 H new ATOM 0 HA LEU A 114 -2.528 0.477 -5.261 1.00 4.42 H new ATOM 0 HB2 LEU A 114 -0.054 1.515 -6.705 1.00 44.43 H new ATOM 0 HB3 LEU A 114 -0.920 2.371 -5.445 1.00 44.43 H new ATOM 0 HG LEU A 114 0.464 -0.308 -5.069 1.00 3.32 H new ATOM 0 HD11 LEU A 114 2.168 0.959 -3.816 1.00 65.12 H new ATOM 0 HD12 LEU A 114 2.095 1.455 -5.524 1.00 65.12 H new ATOM 0 HD13 LEU A 114 1.361 2.480 -4.267 1.00 65.12 H new ATOM 0 HD21 LEU A 114 0.145 0.133 -2.660 1.00 32.33 H new ATOM 0 HD22 LEU A 114 -0.760 1.613 -3.057 1.00 32.33 H new ATOM 0 HD23 LEU A 114 -1.406 0.023 -3.526 1.00 32.33 H new ATOM 1798 N VAL A 115 -2.272 1.479 -8.417 1.00 61.34 N ATOM 1799 CA VAL A 115 -3.000 2.154 -9.497 1.00 32.44 C ATOM 1800 C VAL A 115 -4.394 1.537 -9.695 1.00 4.24 C ATOM 1801 O VAL A 115 -5.381 2.249 -9.867 1.00 11.44 O ATOM 1802 CB VAL A 115 -2.214 2.096 -10.836 1.00 72.20 C ATOM 1803 CG1 VAL A 115 -2.998 2.764 -11.967 1.00 44.30 C ATOM 1804 CG2 VAL A 115 -0.840 2.746 -10.677 1.00 62.44 C ATOM 0 H VAL A 115 -1.381 1.072 -8.702 1.00 61.34 H new ATOM 0 HA VAL A 115 -3.111 3.197 -9.202 1.00 32.44 H new ATOM 0 HB VAL A 115 -2.075 1.048 -11.100 1.00 72.20 H new ATOM 0 HG11 VAL A 115 -2.423 2.708 -12.891 1.00 44.30 H new ATOM 0 HG12 VAL A 115 -3.951 2.252 -12.101 1.00 44.30 H new ATOM 0 HG13 VAL A 115 -3.180 3.809 -11.716 1.00 44.30 H new ATOM 0 HG21 VAL A 115 -0.302 2.697 -11.624 1.00 62.44 H new ATOM 0 HG22 VAL A 115 -0.962 3.788 -10.383 1.00 62.44 H new ATOM 0 HG23 VAL A 115 -0.274 2.217 -9.911 1.00 62.44 H new ATOM 1814 N THR A 116 -4.468 0.206 -9.655 1.00 13.53 N ATOM 1815 CA THR A 116 -5.752 -0.505 -9.771 1.00 12.12 C ATOM 1816 C THR A 116 -6.697 -0.146 -8.618 1.00 40.12 C ATOM 1817 O THR A 116 -7.892 0.068 -8.826 1.00 30.52 O ATOM 1818 CB THR A 116 -5.564 -2.040 -9.796 1.00 72.31 C ATOM 1819 OG1 THR A 116 -4.765 -2.419 -10.926 1.00 42.02 O ATOM 1820 CG2 THR A 116 -6.910 -2.761 -9.856 1.00 33.22 C ATOM 0 H THR A 116 -3.659 -0.405 -9.544 1.00 13.53 H new ATOM 0 HA THR A 116 -6.190 -0.185 -10.717 1.00 12.12 H new ATOM 0 HB THR A 116 -5.058 -2.331 -8.876 1.00 72.31 H new ATOM 0 HG1 THR A 116 -3.832 -2.167 -10.766 1.00 42.02 H new ATOM 0 HG21 THR A 116 -6.745 -3.838 -9.872 1.00 33.22 H new ATOM 0 HG22 THR A 116 -7.503 -2.498 -8.980 1.00 33.22 H new ATOM 0 HG23 THR A 116 -7.443 -2.462 -10.758 1.00 33.22 H new ATOM 1828 N LEU A 117 -6.154 -0.083 -7.405 1.00 73.32 N ATOM 1829 CA LEU A 117 -6.935 0.302 -6.227 1.00 44.45 C ATOM 1830 C LEU A 117 -7.495 1.725 -6.389 1.00 11.23 C ATOM 1831 O LEU A 117 -8.610 2.024 -5.957 1.00 64.23 O ATOM 1832 CB LEU A 117 -6.068 0.194 -4.963 1.00 74.41 C ATOM 1833 CG LEU A 117 -6.782 0.507 -3.638 1.00 51.43 C ATOM 1834 CD1 LEU A 117 -8.008 -0.382 -3.457 1.00 45.12 C ATOM 1835 CD2 LEU A 117 -5.823 0.347 -2.462 1.00 22.45 C ATOM 0 H LEU A 117 -5.175 -0.293 -7.209 1.00 73.32 H new ATOM 0 HA LEU A 117 -7.779 -0.380 -6.127 1.00 44.45 H new ATOM 0 HB2 LEU A 117 -5.664 -0.817 -4.907 1.00 74.41 H new ATOM 0 HB3 LEU A 117 -5.220 0.871 -5.067 1.00 74.41 H new ATOM 0 HG LEU A 117 -7.118 1.543 -3.670 1.00 51.43 H new ATOM 0 HD11 LEU A 117 -8.496 -0.141 -2.512 1.00 45.12 H new ATOM 0 HD12 LEU A 117 -8.704 -0.213 -4.278 1.00 45.12 H new ATOM 0 HD13 LEU A 117 -7.701 -1.428 -3.451 1.00 45.12 H new ATOM 0 HD21 LEU A 117 -6.346 0.573 -1.533 1.00 22.45 H new ATOM 0 HD22 LEU A 117 -5.453 -0.678 -2.431 1.00 22.45 H new ATOM 0 HD23 LEU A 117 -4.983 1.032 -2.581 1.00 22.45 H new ATOM 1847 N ASN A 118 -6.712 2.594 -7.024 1.00 54.24 N ATOM 1848 CA ASN A 118 -7.178 3.937 -7.381 1.00 74.44 C ATOM 1849 C ASN A 118 -8.258 3.867 -8.478 1.00 62.45 C ATOM 1850 O ASN A 118 -9.279 4.548 -8.402 1.00 31.53 O ATOM 1851 CB ASN A 118 -5.993 4.792 -7.853 1.00 24.40 C ATOM 1852 CG ASN A 118 -6.397 6.212 -8.216 1.00 1.41 C ATOM 1853 OD1 ASN A 118 -6.745 6.500 -9.355 1.00 2.01 O ATOM 1854 ND2 ASN A 118 -6.349 7.113 -7.254 1.00 70.42 N ATOM 0 H ASN A 118 -5.751 2.395 -7.303 1.00 54.24 H new ATOM 0 HA ASN A 118 -7.621 4.398 -6.498 1.00 74.44 H new ATOM 0 HB2 ASN A 118 -5.238 4.824 -7.067 1.00 24.40 H new ATOM 0 HB3 ASN A 118 -5.531 4.318 -8.719 1.00 24.40 H new ATOM 0 HD21 ASN A 118 -6.606 8.081 -7.448 1.00 70.42 H new ATOM 0 HD22 ASN A 118 -6.055 6.842 -6.316 1.00 70.42 H new ATOM 1861 N LYS A 119 -8.025 3.023 -9.483 1.00 53.44 N ATOM 1862 CA LYS A 119 -8.969 2.840 -10.596 1.00 64.22 C ATOM 1863 C LYS A 119 -10.368 2.433 -10.107 1.00 63.50 C ATOM 1864 O LYS A 119 -11.370 3.059 -10.466 1.00 5.12 O ATOM 1865 CB LYS A 119 -8.452 1.764 -11.561 1.00 71.04 C ATOM 1866 CG LYS A 119 -7.221 2.168 -12.372 1.00 11.20 C ATOM 1867 CD LYS A 119 -6.631 0.978 -13.135 1.00 15.44 C ATOM 1868 CE LYS A 119 -7.684 0.246 -13.964 1.00 63.52 C ATOM 1869 NZ LYS A 119 -7.137 -0.974 -14.613 1.00 33.24 N ATOM 0 H LYS A 119 -7.185 2.449 -9.553 1.00 53.44 H new ATOM 0 HA LYS A 119 -9.047 3.800 -11.105 1.00 64.22 H new ATOM 0 HB2 LYS A 119 -8.215 0.867 -10.989 1.00 71.04 H new ATOM 0 HB3 LYS A 119 -9.253 1.499 -12.251 1.00 71.04 H new ATOM 0 HG2 LYS A 119 -7.491 2.954 -13.077 1.00 11.20 H new ATOM 0 HG3 LYS A 119 -6.466 2.583 -11.705 1.00 11.20 H new ATOM 0 HD2 LYS A 119 -5.834 1.328 -13.791 1.00 15.44 H new ATOM 0 HD3 LYS A 119 -6.180 0.282 -12.427 1.00 15.44 H new ATOM 0 HE2 LYS A 119 -8.522 -0.030 -13.323 1.00 63.52 H new ATOM 0 HE3 LYS A 119 -8.075 0.918 -14.728 1.00 63.52 H new ATOM 0 HZ1 LYS A 119 -7.886 -1.439 -15.165 1.00 33.24 H new ATOM 0 HZ2 LYS A 119 -6.354 -0.710 -15.245 1.00 33.24 H new ATOM 0 HZ3 LYS A 119 -6.788 -1.628 -13.884 1.00 33.24 H new ATOM 1883 N VAL A 120 -10.431 1.369 -9.305 1.00 20.22 N ATOM 1884 CA VAL A 120 -11.713 0.833 -8.832 1.00 11.42 C ATOM 1885 C VAL A 120 -12.450 1.821 -7.910 1.00 35.22 C ATOM 1886 O VAL A 120 -13.639 2.078 -8.097 1.00 14.04 O ATOM 1887 CB VAL A 120 -11.542 -0.538 -8.116 1.00 4.21 C ATOM 1888 CG1 VAL A 120 -11.050 -1.598 -9.101 1.00 23.50 C ATOM 1889 CG2 VAL A 120 -10.591 -0.431 -6.926 1.00 5.10 C ATOM 0 H VAL A 120 -9.613 0.861 -8.969 1.00 20.22 H new ATOM 0 HA VAL A 120 -12.323 0.681 -9.723 1.00 11.42 H new ATOM 0 HB VAL A 120 -12.518 -0.839 -7.736 1.00 4.21 H new ATOM 0 HG11 VAL A 120 -10.936 -2.551 -8.584 1.00 23.50 H new ATOM 0 HG12 VAL A 120 -11.774 -1.708 -9.909 1.00 23.50 H new ATOM 0 HG13 VAL A 120 -10.089 -1.292 -9.514 1.00 23.50 H new ATOM 0 HG21 VAL A 120 -10.494 -1.406 -6.449 1.00 5.10 H new ATOM 0 HG22 VAL A 120 -9.612 -0.097 -7.271 1.00 5.10 H new ATOM 0 HG23 VAL A 120 -10.987 0.287 -6.207 1.00 5.10 H new ATOM 1899 N THR A 121 -11.742 2.395 -6.936 1.00 63.23 N ATOM 1900 CA THR A 121 -12.361 3.324 -5.979 1.00 43.13 C ATOM 1901 C THR A 121 -12.811 4.624 -6.656 1.00 31.24 C ATOM 1902 O THR A 121 -13.921 5.109 -6.416 1.00 25.24 O ATOM 1903 CB THR A 121 -11.410 3.670 -4.812 1.00 51.32 C ATOM 1904 OG1 THR A 121 -10.205 4.272 -5.313 1.00 24.11 O ATOM 1905 CG2 THR A 121 -11.072 2.422 -4.004 1.00 32.34 C ATOM 0 H THR A 121 -10.746 2.237 -6.786 1.00 63.23 H new ATOM 0 HA THR A 121 -13.235 2.807 -5.583 1.00 43.13 H new ATOM 0 HB THR A 121 -11.916 4.380 -4.158 1.00 51.32 H new ATOM 0 HG1 THR A 121 -9.571 3.570 -5.569 1.00 24.11 H new ATOM 0 HG21 THR A 121 -10.401 2.688 -3.187 1.00 32.34 H new ATOM 0 HG22 THR A 121 -11.988 1.993 -3.597 1.00 32.34 H new ATOM 0 HG23 THR A 121 -10.585 1.691 -4.650 1.00 32.34 H new ATOM 1913 N ALA A 122 -11.951 5.186 -7.504 1.00 54.02 N ATOM 1914 CA ALA A 122 -12.293 6.394 -8.260 1.00 44.41 C ATOM 1915 C ALA A 122 -13.524 6.160 -9.145 1.00 50.51 C ATOM 1916 O ALA A 122 -14.400 7.019 -9.247 1.00 0.35 O ATOM 1917 CB ALA A 122 -11.110 6.851 -9.108 1.00 51.43 C ATOM 0 H ALA A 122 -11.014 4.827 -7.686 1.00 54.02 H new ATOM 0 HA ALA A 122 -12.533 7.180 -7.544 1.00 44.41 H new ATOM 0 HB1 ALA A 122 -11.384 7.749 -9.661 1.00 51.43 H new ATOM 0 HB2 ALA A 122 -10.261 7.069 -8.460 1.00 51.43 H new ATOM 0 HB3 ALA A 122 -10.838 6.062 -9.809 1.00 51.43 H new ATOM 1923 N ASP A 123 -13.585 4.986 -9.776 1.00 31.30 N ATOM 1924 CA ASP A 123 -14.723 4.614 -10.624 1.00 11.12 C ATOM 1925 C ASP A 123 -16.024 4.524 -9.805 1.00 4.34 C ATOM 1926 O ASP A 123 -17.095 4.923 -10.272 1.00 70.24 O ATOM 1927 CB ASP A 123 -14.436 3.282 -11.324 1.00 65.03 C ATOM 1928 CG ASP A 123 -15.466 2.946 -12.385 1.00 45.43 C ATOM 1929 OD1 ASP A 123 -15.382 3.502 -13.501 1.00 74.43 O ATOM 1930 OD2 ASP A 123 -16.365 2.126 -12.115 1.00 62.23 O ATOM 0 H ASP A 123 -12.858 4.273 -9.716 1.00 31.30 H new ATOM 0 HA ASP A 123 -14.859 5.391 -11.376 1.00 11.12 H new ATOM 0 HB2 ASP A 123 -13.448 3.322 -11.782 1.00 65.03 H new ATOM 0 HB3 ASP A 123 -14.411 2.484 -10.582 1.00 65.03 H new ATOM 1935 N ILE A 124 -15.923 3.998 -8.581 1.00 13.41 N ATOM 1936 CA ILE A 124 -17.071 3.943 -7.665 1.00 4.52 C ATOM 1937 C ILE A 124 -17.577 5.359 -7.336 1.00 55.32 C ATOM 1938 O ILE A 124 -18.783 5.596 -7.233 1.00 22.13 O ATOM 1939 CB ILE A 124 -16.715 3.202 -6.343 1.00 51.52 C ATOM 1940 CG1 ILE A 124 -16.300 1.748 -6.630 1.00 73.23 C ATOM 1941 CG2 ILE A 124 -17.887 3.240 -5.358 1.00 62.41 C ATOM 1942 CD1 ILE A 124 -15.903 0.961 -5.395 1.00 11.21 C ATOM 0 H ILE A 124 -15.062 3.605 -8.200 1.00 13.41 H new ATOM 0 HA ILE A 124 -17.858 3.386 -8.173 1.00 4.52 H new ATOM 0 HB ILE A 124 -15.871 3.719 -5.886 1.00 51.52 H new ATOM 0 HG12 ILE A 124 -17.126 1.236 -7.123 1.00 73.23 H new ATOM 0 HG13 ILE A 124 -15.464 1.752 -7.330 1.00 73.23 H new ATOM 0 HG21 ILE A 124 -17.611 2.715 -4.443 1.00 62.41 H new ATOM 0 HG22 ILE A 124 -18.131 4.276 -5.122 1.00 62.41 H new ATOM 0 HG23 ILE A 124 -18.755 2.756 -5.806 1.00 62.41 H new ATOM 0 HD11 ILE A 124 -15.625 -0.053 -5.683 1.00 11.21 H new ATOM 0 HD12 ILE A 124 -15.055 1.446 -4.911 1.00 11.21 H new ATOM 0 HD13 ILE A 124 -16.743 0.923 -4.702 1.00 11.21 H new ATOM 1954 N GLY A 125 -16.648 6.301 -7.190 1.00 44.44 N ATOM 1955 CA GLY A 125 -17.014 7.689 -6.923 1.00 33.25 C ATOM 1956 C GLY A 125 -16.872 8.078 -5.456 1.00 43.10 C ATOM 1957 O GLY A 125 -17.846 8.055 -4.701 1.00 14.14 O ATOM 0 H GLY A 125 -15.644 6.130 -7.251 1.00 44.44 H new ATOM 0 HA2 GLY A 125 -16.388 8.345 -7.528 1.00 33.25 H new ATOM 0 HA3 GLY A 125 -18.045 7.853 -7.237 1.00 33.25 H new ATOM 1961 N LEU A 126 -15.655 8.432 -5.051 1.00 72.22 N ATOM 1962 CA LEU A 126 -15.387 8.874 -3.674 1.00 33.41 C ATOM 1963 C LEU A 126 -15.573 10.398 -3.523 1.00 23.10 C ATOM 1964 O LEU A 126 -14.711 11.159 -4.019 1.00 37.41 O ATOM 1965 CB LEU A 126 -13.965 8.474 -3.257 1.00 54.04 C ATOM 1966 CG LEU A 126 -13.666 6.963 -3.289 1.00 20.42 C ATOM 1967 CD1 LEU A 126 -12.229 6.691 -2.850 1.00 43.31 C ATOM 1968 CD2 LEU A 126 -14.656 6.192 -2.415 1.00 22.34 C ATOM 1969 OXT LEU A 126 -16.570 10.828 -2.900 1.00 37.41 O ATOM 0 H LEU A 126 -14.833 8.423 -5.655 1.00 72.22 H new ATOM 0 HA LEU A 126 -16.107 8.382 -3.020 1.00 33.41 H new ATOM 0 HB2 LEU A 126 -13.257 8.981 -3.912 1.00 54.04 H new ATOM 0 HB3 LEU A 126 -13.784 8.841 -2.247 1.00 54.04 H new ATOM 0 HG LEU A 126 -13.782 6.615 -4.315 1.00 20.42 H new ATOM 0 HD11 LEU A 126 -12.037 5.619 -2.879 1.00 43.31 H new ATOM 0 HD12 LEU A 126 -11.540 7.202 -3.523 1.00 43.31 H new ATOM 0 HD13 LEU A 126 -12.083 7.058 -1.834 1.00 43.31 H new ATOM 0 HD21 LEU A 126 -14.424 5.128 -2.454 1.00 22.34 H new ATOM 0 HD22 LEU A 126 -14.581 6.542 -1.385 1.00 22.34 H new ATOM 0 HD23 LEU A 126 -15.669 6.356 -2.781 1.00 22.34 H new TER 1981 LEU A 126