USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 785 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 NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD NoAdj-H: A 125 HIS HE2 : A 125 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD Set 1.1: A 137 LYS NZ :NH3+ -117:sc= -0.025 (180deg=0) USER MOD Set 1.2: A 140 ASN : amide:sc= 0.754 X(o=0.73,f=0.63) USER MOD Set 2.1: A 76 THR OG1 : rot -64:sc= 2.29 USER MOD Set 2.2: A 112 LYS NZ :NH3+ 162:sc= 2.42 (180deg=0.354) USER MOD Set 3.1: A 104 CYS SG : rot -106:sc= -5.6! USER MOD Set 3.2: A 107 CYS SG : rot 110:sc= -1.16! USER MOD Set 4.1: A 72 CYS SG : rot 137:sc= -1.58! USER MOD Set 4.2: A 75 CYS SG : rot -107:sc= -6.88! USER MOD Set 4.3: A 93 HIS : no HE2:sc= -3.87! C(o=-12!,f=-15!) USER MOD Set 5.1: A -1 HIS : no HE2:sc= 1 K(o=4.4,f=-8.6!) USER MOD Set 5.2: A 73 LYS NZ :NH3+ 134:sc= 2.51 (180deg=-0.0121) USER MOD Set 5.3: A 101 SER OG : rot 130:sc= 0.919 USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A -3 HIS : no HE2:sc= -0.583 K(o=-0.58,f=-1.9!) USER MOD Single : A -4 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.35) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ 161:sc= 1.38 (180deg=0.689) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 61 GLN : amide:sc= -0.667 K(o=-0.67,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.76) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc=-0.00986 (180deg=-0.129) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 0.451 (180deg=-0.0243) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.849 K(o=-0.85,f=-6.7!) USER MOD Single : A 79 THR OG1 : rot 140:sc= 0.194 USER MOD Single : A 83 ASN : amide:sc= -0.819 K(o=-0.82,f=-0.0034) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.34) USER MOD Single : A 111 THR OG1 : rot 41:sc= 0.81 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -4.24! C(o=-4.2!,f=-7.3!) USER MOD Single : A 123 LYS NZ :NH3+ 159:sc= 0.149 (180deg=0.0634) USER MOD Single : A 124 TYR OH : rot -149:sc= -1.95! USER MOD Single : A 130 ASN : amide:sc= -3.27! K(o=-3.3!,f=-0.4) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 135 MET CE :methyl 172:sc= -1.37 (180deg=-1.48) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 GLN : amide:sc= -0.899! C(o=-0.9!,f=-6.4!) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -0.942 X(o=-0.94,f=-0.48) USER MOD Single : A 147 THR OG1 : rot -156:sc= -1.04 USER MOD Single : A 149 ASN : amide:sc= -3.71! C(o=-3.7!,f=-1.7!) USER MOD Single : A 152 THR OG1 : rot -73:sc= 0.48 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 -5.592 -11.039 -22.388 1.00 13.23 N ATOM 2 CA MET A -8 -4.967 -11.395 -21.113 1.00 41.32 C ATOM 3 C MET A -8 -5.319 -12.822 -20.762 1.00 3.20 C ATOM 4 O MET A -8 -6.453 -13.249 -20.986 1.00 62.05 O ATOM 5 CB MET A -8 -5.411 -10.459 -19.971 1.00 42.11 C ATOM 6 CG MET A -8 -4.895 -9.018 -20.048 1.00 52.25 C ATOM 7 SD MET A -8 -5.519 -8.091 -21.465 1.00 54.34 S ATOM 8 CE MET A -8 -4.740 -6.495 -21.184 1.00 51.33 C ATOM 0 H1 MET A -8 -5.631 -10.004 -22.478 1.00 13.23 H new ATOM 0 H2 MET A -8 -5.033 -11.434 -23.171 1.00 13.23 H new ATOM 0 H3 MET A -8 -6.557 -11.426 -22.422 1.00 13.23 H new ATOM 0 HA MET A -8 -3.888 -11.288 -21.229 1.00 41.32 H new ATOM 0 HB2 MET A -8 -6.501 -10.434 -19.951 1.00 42.11 H new ATOM 0 HB3 MET A -8 -5.085 -10.891 -19.025 1.00 42.11 H new ATOM 0 HG2 MET A -8 -5.172 -8.494 -19.133 1.00 52.25 H new ATOM 0 HG3 MET A -8 -3.806 -9.034 -20.088 1.00 52.25 H new ATOM 0 HE1 MET A -8 -5.027 -5.805 -21.978 1.00 51.33 H new ATOM 0 HE2 MET A -8 -5.064 -6.096 -20.222 1.00 51.33 H new ATOM 0 HE3 MET A -8 -3.657 -6.614 -21.181 1.00 51.33 H new ATOM 17 N ALA A -7 -4.364 -13.538 -20.182 1.00 43.35 N ATOM 18 CA ALA A -7 -4.511 -14.948 -19.825 1.00 42.12 C ATOM 19 C ALA A -7 -5.670 -15.164 -18.868 1.00 54.40 C ATOM 20 O ALA A -7 -5.610 -14.740 -17.716 1.00 54.30 O ATOM 21 CB ALA A -7 -3.225 -15.472 -19.208 1.00 12.21 C ATOM 0 H ALA A -7 -3.451 -13.152 -19.942 1.00 43.35 H new ATOM 0 HA ALA A -7 -4.723 -15.500 -20.741 1.00 42.12 H new ATOM 0 HB1 ALA A -7 -3.349 -16.523 -18.947 1.00 12.21 H new ATOM 0 HB2 ALA A -7 -2.410 -15.369 -19.924 1.00 12.21 H new ATOM 0 HB3 ALA A -7 -2.993 -14.900 -18.310 1.00 12.21 H new ATOM 27 N HIS A -6 -6.748 -15.780 -19.385 1.00 30.01 N ATOM 28 CA HIS A -6 -7.969 -16.096 -18.601 1.00 52.14 C ATOM 29 C HIS A -6 -8.601 -14.830 -18.036 1.00 50.30 C ATOM 30 O HIS A -6 -9.359 -14.882 -17.057 1.00 33.44 O ATOM 31 CB HIS A -6 -7.661 -17.091 -17.462 1.00 30.53 C ATOM 32 CG HIS A -6 -7.239 -18.450 -17.926 1.00 32.53 C ATOM 33 ND1 HIS A -6 -7.993 -19.588 -17.756 1.00 52.44 N ATOM 34 CD2 HIS A -6 -6.101 -18.848 -18.543 1.00 31.33 C ATOM 35 CE1 HIS A -6 -7.318 -20.611 -18.256 1.00 64.34 C ATOM 36 NE2 HIS A -6 -6.154 -20.218 -18.752 1.00 55.23 N ATOM 0 H HIS A -6 -6.803 -16.076 -20.360 1.00 30.01 H new ATOM 0 HA HIS A -6 -8.680 -16.564 -19.282 1.00 52.14 H new ATOM 0 HB2 HIS A -6 -6.873 -16.674 -16.835 1.00 30.53 H new ATOM 0 HB3 HIS A -6 -8.547 -17.193 -16.836 1.00 30.53 H new ATOM 0 HD2 HIS A -6 -5.283 -18.202 -18.827 1.00 31.33 H new ATOM 0 HE1 HIS A -6 -7.670 -21.632 -18.259 1.00 64.34 H new ATOM 0 HE2 HIS A -6 -5.445 -20.802 -19.195 1.00 55.23 H new ATOM 44 N HIS A -5 -8.321 -13.712 -18.709 1.00 4.03 N ATOM 45 CA HIS A -5 -8.750 -12.383 -18.302 1.00 62.12 C ATOM 46 C HIS A -5 -8.141 -12.018 -16.957 1.00 5.03 C ATOM 47 O HIS A -5 -8.748 -12.181 -15.897 1.00 73.23 O ATOM 48 CB HIS A -5 -10.290 -12.197 -18.324 1.00 53.50 C ATOM 49 CG HIS A -5 -10.899 -12.398 -19.684 1.00 32.33 C ATOM 50 ND1 HIS A -5 -11.142 -11.382 -20.585 1.00 41.14 N ATOM 51 CD2 HIS A -5 -11.303 -13.540 -20.297 1.00 63.30 C ATOM 52 CE1 HIS A -5 -11.666 -11.923 -21.688 1.00 21.54 C ATOM 53 NE2 HIS A -5 -11.784 -13.237 -21.564 1.00 13.31 N ATOM 0 H HIS A -5 -7.777 -13.711 -19.572 1.00 4.03 H new ATOM 0 HA HIS A -5 -8.374 -11.683 -19.048 1.00 62.12 H new ATOM 0 HB2 HIS A -5 -10.743 -12.900 -17.624 1.00 53.50 H new ATOM 0 HB3 HIS A -5 -10.532 -11.195 -17.971 1.00 53.50 H new ATOM 0 HD2 HIS A -5 -11.257 -14.529 -19.867 1.00 63.30 H new ATOM 0 HE1 HIS A -5 -11.955 -11.363 -22.565 1.00 21.54 H new ATOM 0 HE2 HIS A -5 -12.152 -13.890 -22.256 1.00 13.31 H new ATOM 61 N HIS A -4 -6.903 -11.613 -17.013 1.00 63.52 N ATOM 62 CA HIS A -4 -6.148 -11.222 -15.859 1.00 1.42 C ATOM 63 C HIS A -4 -5.844 -9.742 -15.978 1.00 51.13 C ATOM 64 O HIS A -4 -5.036 -9.338 -16.805 1.00 14.30 O ATOM 65 CB HIS A -4 -4.852 -12.063 -15.776 1.00 61.45 C ATOM 66 CG HIS A -4 -3.942 -11.749 -14.616 1.00 51.34 C ATOM 67 ND1 HIS A -4 -2.582 -11.918 -14.650 1.00 14.10 N ATOM 68 CD2 HIS A -4 -4.227 -11.302 -13.372 1.00 23.02 C ATOM 69 CE1 HIS A -4 -2.090 -11.583 -13.465 1.00 34.11 C ATOM 70 NE2 HIS A -4 -3.052 -11.198 -12.643 1.00 24.21 N ATOM 0 H HIS A -4 -6.379 -11.545 -17.886 1.00 63.52 H new ATOM 0 HA HIS A -4 -6.712 -11.399 -14.943 1.00 1.42 H new ATOM 0 HB2 HIS A -4 -5.127 -13.116 -15.723 1.00 61.45 H new ATOM 0 HB3 HIS A -4 -4.292 -11.926 -16.701 1.00 61.45 H new ATOM 0 HD2 HIS A -4 -5.214 -11.064 -13.004 1.00 23.02 H new ATOM 0 HE1 HIS A -4 -1.042 -11.620 -13.205 1.00 34.11 H new ATOM 0 HE2 HIS A -4 -2.951 -10.889 -11.676 1.00 24.21 H new ATOM 78 N HIS A -3 -6.515 -8.945 -15.187 1.00 53.12 N ATOM 79 CA HIS A -3 -6.350 -7.504 -15.261 1.00 24.20 C ATOM 80 C HIS A -3 -5.351 -7.006 -14.230 1.00 50.51 C ATOM 81 O HIS A -3 -5.056 -5.811 -14.177 1.00 5.54 O ATOM 82 CB HIS A -3 -7.706 -6.759 -15.139 1.00 24.11 C ATOM 83 CG HIS A -3 -8.478 -6.960 -13.849 1.00 44.22 C ATOM 84 ND1 HIS A -3 -9.650 -7.672 -13.760 1.00 22.21 N ATOM 85 CD2 HIS A -3 -8.253 -6.468 -12.605 1.00 62.31 C ATOM 86 CE1 HIS A -3 -10.094 -7.593 -12.507 1.00 41.13 C ATOM 87 NE2 HIS A -3 -9.278 -6.870 -11.758 1.00 32.52 N ATOM 0 H HIS A -3 -7.181 -9.262 -14.483 1.00 53.12 H new ATOM 0 HA HIS A -3 -5.947 -7.279 -16.248 1.00 24.20 H new ATOM 0 HB2 HIS A -3 -7.521 -5.692 -15.262 1.00 24.11 H new ATOM 0 HB3 HIS A -3 -8.341 -7.070 -15.968 1.00 24.11 H new ATOM 0 HD1 HIS A -3 -10.103 -8.175 -14.523 1.00 22.21 H new ATOM 0 HD2 HIS A -3 -7.409 -5.859 -12.318 1.00 62.31 H new ATOM 0 HE1 HIS A -3 -11.001 -8.058 -12.149 1.00 41.13 H new ATOM 95 N HIS A -2 -4.855 -7.933 -13.405 1.00 73.50 N ATOM 96 CA HIS A -2 -3.865 -7.671 -12.339 1.00 41.44 C ATOM 97 C HIS A -2 -4.438 -6.856 -11.193 1.00 32.32 C ATOM 98 O HIS A -2 -4.619 -7.356 -10.084 1.00 63.21 O ATOM 99 CB HIS A -2 -2.581 -6.980 -12.859 1.00 10.55 C ATOM 100 CG HIS A -2 -1.697 -7.810 -13.725 1.00 12.11 C ATOM 101 ND1 HIS A -2 -0.455 -8.252 -13.335 1.00 32.13 N ATOM 102 CD2 HIS A -2 -1.863 -8.233 -14.998 1.00 71.24 C ATOM 103 CE1 HIS A -2 0.091 -8.911 -14.355 1.00 14.10 C ATOM 104 NE2 HIS A -2 -0.726 -8.932 -15.394 1.00 42.44 N ATOM 0 H HIS A -2 -5.133 -8.913 -13.456 1.00 73.50 H new ATOM 0 HA HIS A -2 -3.598 -8.660 -11.968 1.00 41.44 H new ATOM 0 HB2 HIS A -2 -2.872 -6.090 -13.418 1.00 10.55 H new ATOM 0 HB3 HIS A -2 -2.001 -6.642 -12.000 1.00 10.55 H new ATOM 0 HD2 HIS A -2 -2.736 -8.057 -15.609 1.00 71.24 H new ATOM 0 HE1 HIS A -2 1.070 -9.367 -14.336 1.00 14.10 H new ATOM 0 HE2 HIS A -2 -0.558 -9.370 -16.300 1.00 42.44 H new ATOM 112 N HIS A -1 -4.730 -5.610 -11.462 1.00 53.53 N ATOM 113 CA HIS A -1 -5.148 -4.690 -10.436 1.00 52.15 C ATOM 114 C HIS A -1 -6.457 -4.038 -10.810 1.00 74.02 C ATOM 115 O HIS A -1 -6.641 -3.574 -11.952 1.00 5.35 O ATOM 116 CB HIS A -1 -4.081 -3.598 -10.231 1.00 11.10 C ATOM 117 CG HIS A -1 -2.702 -4.120 -9.933 1.00 10.33 C ATOM 118 ND1 HIS A -1 -1.657 -4.074 -10.828 1.00 75.14 N ATOM 119 CD2 HIS A -1 -2.208 -4.698 -8.817 1.00 35.32 C ATOM 120 CE1 HIS A -1 -0.584 -4.611 -10.251 1.00 15.34 C ATOM 121 NE2 HIS A -1 -0.862 -5.011 -9.017 1.00 45.05 N ATOM 0 H HIS A -1 -4.685 -5.205 -12.397 1.00 53.53 H new ATOM 0 HA HIS A -1 -5.277 -5.251 -9.511 1.00 52.15 H new ATOM 0 HB2 HIS A -1 -4.036 -2.980 -11.127 1.00 11.10 H new ATOM 0 HB3 HIS A -1 -4.395 -2.950 -9.413 1.00 11.10 H new ATOM 0 HD1 HIS A -1 -1.698 -3.693 -11.773 1.00 75.14 H new ATOM 0 HD2 HIS A -1 -2.766 -4.888 -7.912 1.00 35.32 H new ATOM 0 HE1 HIS A -1 0.382 -4.708 -10.724 1.00 15.34 H new ATOM 129 N ASN A 60 -7.359 -4.016 -9.882 1.00 4.54 N ATOM 130 CA ASN A 60 -8.630 -3.355 -10.053 1.00 14.23 C ATOM 131 C ASN A 60 -8.572 -2.008 -9.360 1.00 14.22 C ATOM 132 O ASN A 60 -8.407 -1.938 -8.137 1.00 65.12 O ATOM 133 CB ASN A 60 -9.775 -4.205 -9.469 1.00 60.04 C ATOM 134 CG ASN A 60 -11.145 -3.543 -9.602 1.00 50.40 C ATOM 135 OD1 ASN A 60 -11.392 -2.765 -10.526 1.00 1.42 O ATOM 136 ND2 ASN A 60 -12.042 -3.849 -8.701 1.00 45.41 N ATOM 0 H ASN A 60 -7.241 -4.459 -8.971 1.00 4.54 H new ATOM 0 HA ASN A 60 -8.826 -3.220 -11.117 1.00 14.23 H new ATOM 0 HB2 ASN A 60 -9.795 -5.171 -9.973 1.00 60.04 H new ATOM 0 HB3 ASN A 60 -9.573 -4.399 -8.416 1.00 60.04 H new ATOM 0 HD21 ASN A 60 -12.975 -3.441 -8.751 1.00 45.41 H new ATOM 0 HD22 ASN A 60 -11.808 -4.496 -7.948 1.00 45.41 H new ATOM 143 N GLN A 61 -8.652 -0.959 -10.131 1.00 31.24 N ATOM 144 CA GLN A 61 -8.620 0.394 -9.617 1.00 1.13 C ATOM 145 C GLN A 61 -9.937 1.064 -9.959 1.00 44.03 C ATOM 146 O GLN A 61 -10.624 0.624 -10.892 1.00 1.25 O ATOM 147 CB GLN A 61 -7.444 1.170 -10.233 1.00 74.31 C ATOM 148 CG GLN A 61 -7.473 1.189 -11.757 1.00 62.24 C ATOM 149 CD GLN A 61 -6.345 1.971 -12.399 1.00 23.43 C ATOM 150 OE1 GLN A 61 -5.907 1.636 -13.492 1.00 4.00 O ATOM 151 NE2 GLN A 61 -5.910 3.024 -11.772 1.00 54.23 N ATOM 0 H GLN A 61 -8.742 -1.014 -11.146 1.00 31.24 H new ATOM 0 HA GLN A 61 -8.482 0.381 -8.536 1.00 1.13 H new ATOM 0 HB2 GLN A 61 -7.459 2.195 -9.862 1.00 74.31 H new ATOM 0 HB3 GLN A 61 -6.507 0.724 -9.899 1.00 74.31 H new ATOM 0 HG2 GLN A 61 -7.439 0.162 -12.121 1.00 62.24 H new ATOM 0 HG3 GLN A 61 -8.423 1.612 -12.084 1.00 62.24 H new ATOM 0 HE21 GLN A 61 -6.299 3.273 -10.862 1.00 54.23 H new ATOM 0 HE22 GLN A 61 -5.180 3.601 -12.190 1.00 54.23 H new ATOM 160 N GLN A 62 -10.312 2.080 -9.222 1.00 12.31 N ATOM 161 CA GLN A 62 -11.547 2.748 -9.513 1.00 54.35 C ATOM 162 C GLN A 62 -11.419 4.268 -9.435 1.00 52.11 C ATOM 163 O GLN A 62 -11.372 4.943 -10.474 1.00 40.42 O ATOM 164 CB GLN A 62 -12.681 2.236 -8.615 1.00 63.41 C ATOM 165 CG GLN A 62 -14.052 2.773 -8.994 1.00 31.34 C ATOM 166 CD GLN A 62 -14.459 2.402 -10.414 1.00 41.15 C ATOM 167 OE1 GLN A 62 -14.062 1.361 -10.942 1.00 44.21 O ATOM 168 NE2 GLN A 62 -15.246 3.229 -11.032 1.00 75.31 N ATOM 0 H GLN A 62 -9.788 2.454 -8.431 1.00 12.31 H new ATOM 0 HA GLN A 62 -11.800 2.507 -10.545 1.00 54.35 H new ATOM 0 HB2 GLN A 62 -12.703 1.147 -8.658 1.00 63.41 H new ATOM 0 HB3 GLN A 62 -12.466 2.510 -7.582 1.00 63.41 H new ATOM 0 HG2 GLN A 62 -14.794 2.387 -8.295 1.00 31.34 H new ATOM 0 HG3 GLN A 62 -14.053 3.858 -8.892 1.00 31.34 H new ATOM 0 HE21 GLN A 62 -15.556 4.082 -10.567 1.00 75.31 H new ATOM 0 HE22 GLN A 62 -15.554 3.026 -11.983 1.00 75.31 H new ATOM 177 N ASN A 63 -11.313 4.814 -8.239 1.00 33.04 N ATOM 178 CA ASN A 63 -11.344 6.269 -8.099 1.00 31.14 C ATOM 179 C ASN A 63 -10.280 6.839 -7.172 1.00 0.35 C ATOM 180 O ASN A 63 -9.506 7.699 -7.581 1.00 42.35 O ATOM 181 CB ASN A 63 -12.742 6.723 -7.633 1.00 72.15 C ATOM 182 CG ASN A 63 -12.822 8.214 -7.334 1.00 64.45 C ATOM 183 OD1 ASN A 63 -12.605 8.637 -6.203 1.00 33.24 O ATOM 184 ND2 ASN A 63 -13.136 9.007 -8.327 1.00 41.51 N ATOM 0 H ASN A 63 -11.207 4.295 -7.368 1.00 33.04 H new ATOM 0 HA ASN A 63 -11.118 6.665 -9.089 1.00 31.14 H new ATOM 0 HB2 ASN A 63 -13.473 6.474 -8.403 1.00 72.15 H new ATOM 0 HB3 ASN A 63 -13.018 6.165 -6.739 1.00 72.15 H new ATOM 0 HD21 ASN A 63 -13.207 10.013 -8.174 1.00 41.51 H new ATOM 0 HD22 ASN A 63 -13.310 8.619 -9.254 1.00 41.51 H new ATOM 191 N LYS A 64 -10.215 6.323 -5.953 1.00 35.14 N ATOM 192 CA LYS A 64 -9.410 6.926 -4.872 1.00 31.13 C ATOM 193 C LYS A 64 -7.900 6.993 -5.136 1.00 1.24 C ATOM 194 O LYS A 64 -7.213 7.823 -4.522 1.00 30.50 O ATOM 195 CB LYS A 64 -9.685 6.239 -3.534 1.00 71.32 C ATOM 196 CG LYS A 64 -11.143 6.289 -3.091 1.00 75.15 C ATOM 197 CD LYS A 64 -11.306 5.693 -1.706 1.00 50.30 C ATOM 198 CE LYS A 64 -12.753 5.668 -1.254 1.00 72.32 C ATOM 199 NZ LYS A 64 -13.579 4.764 -2.081 1.00 33.03 N ATOM 0 H LYS A 64 -10.713 5.477 -5.674 1.00 35.14 H new ATOM 0 HA LYS A 64 -9.740 7.964 -4.835 1.00 31.13 H new ATOM 0 HB2 LYS A 64 -9.374 5.197 -3.603 1.00 71.32 H new ATOM 0 HB3 LYS A 64 -9.068 6.705 -2.766 1.00 71.32 H new ATOM 0 HG2 LYS A 64 -11.492 7.321 -3.091 1.00 75.15 H new ATOM 0 HG3 LYS A 64 -11.763 5.743 -3.802 1.00 75.15 H new ATOM 0 HD2 LYS A 64 -10.909 4.678 -1.701 1.00 50.30 H new ATOM 0 HD3 LYS A 64 -10.716 6.269 -0.994 1.00 50.30 H new ATOM 0 HE2 LYS A 64 -12.801 5.351 -0.212 1.00 72.32 H new ATOM 0 HE3 LYS A 64 -13.164 6.677 -1.299 1.00 72.32 H new ATOM 0 HZ1 LYS A 64 -14.507 4.632 -1.630 1.00 33.03 H new ATOM 0 HZ2 LYS A 64 -13.708 5.179 -3.026 1.00 33.03 H new ATOM 0 HZ3 LYS A 64 -13.104 3.843 -2.170 1.00 33.03 H new ATOM 213 N LYS A 65 -7.399 6.136 -6.034 1.00 61.14 N ATOM 214 CA LYS A 65 -5.970 6.063 -6.401 1.00 50.13 C ATOM 215 C LYS A 65 -5.175 5.533 -5.192 1.00 41.32 C ATOM 216 O LYS A 65 -4.964 4.349 -5.052 1.00 21.01 O ATOM 217 CB LYS A 65 -5.463 7.463 -6.924 1.00 3.03 C ATOM 218 CG LYS A 65 -4.259 7.471 -7.881 1.00 31.51 C ATOM 219 CD LYS A 65 -2.999 6.882 -7.284 1.00 73.31 C ATOM 220 CE LYS A 65 -1.830 7.005 -8.245 1.00 53.13 C ATOM 221 NZ LYS A 65 -1.431 8.412 -8.466 1.00 64.12 N ATOM 0 H LYS A 65 -7.978 5.463 -6.536 1.00 61.14 H new ATOM 0 HA LYS A 65 -5.817 5.367 -7.225 1.00 50.13 H new ATOM 0 HB2 LYS A 65 -6.295 7.956 -7.427 1.00 3.03 H new ATOM 0 HB3 LYS A 65 -5.208 8.073 -6.058 1.00 3.03 H new ATOM 0 HG2 LYS A 65 -4.518 6.913 -8.781 1.00 31.51 H new ATOM 0 HG3 LYS A 65 -4.058 8.497 -8.189 1.00 31.51 H new ATOM 0 HD2 LYS A 65 -2.762 7.393 -6.351 1.00 73.31 H new ATOM 0 HD3 LYS A 65 -3.164 5.833 -7.040 1.00 73.31 H new ATOM 0 HE2 LYS A 65 -0.980 6.446 -7.853 1.00 53.13 H new ATOM 0 HE3 LYS A 65 -2.098 6.551 -9.199 1.00 53.13 H new ATOM 0 HZ1 LYS A 65 -0.515 8.440 -8.959 1.00 64.12 H new ATOM 0 HZ2 LYS A 65 -2.151 8.890 -9.045 1.00 64.12 H new ATOM 0 HZ3 LYS A 65 -1.346 8.897 -7.550 1.00 64.12 H new ATOM 235 N VAL A 66 -4.793 6.419 -4.352 1.00 33.31 N ATOM 236 CA VAL A 66 -4.205 6.165 -3.095 1.00 61.04 C ATOM 237 C VAL A 66 -4.345 7.493 -2.325 1.00 3.41 C ATOM 238 O VAL A 66 -4.063 8.568 -2.882 1.00 42.31 O ATOM 239 CB VAL A 66 -2.717 5.667 -3.182 1.00 22.30 C ATOM 240 CG1 VAL A 66 -1.725 6.767 -3.467 1.00 74.01 C ATOM 241 CG2 VAL A 66 -2.366 4.927 -1.933 1.00 53.43 C ATOM 0 H VAL A 66 -4.891 7.416 -4.541 1.00 33.31 H new ATOM 0 HA VAL A 66 -4.705 5.340 -2.587 1.00 61.04 H new ATOM 0 HB VAL A 66 -2.651 4.996 -4.038 1.00 22.30 H new ATOM 0 HG11 VAL A 66 -0.720 6.348 -3.513 1.00 74.01 H new ATOM 0 HG12 VAL A 66 -1.966 7.236 -4.421 1.00 74.01 H new ATOM 0 HG13 VAL A 66 -1.771 7.513 -2.674 1.00 74.01 H new ATOM 0 HG21 VAL A 66 -1.334 4.581 -1.993 1.00 53.43 H new ATOM 0 HG22 VAL A 66 -2.478 5.589 -1.074 1.00 53.43 H new ATOM 0 HG23 VAL A 66 -3.030 4.070 -1.819 1.00 53.43 H new ATOM 251 N GLU A 67 -4.881 7.456 -1.129 1.00 53.34 N ATOM 252 CA GLU A 67 -5.166 8.698 -0.414 1.00 71.31 C ATOM 253 C GLU A 67 -4.054 9.081 0.527 1.00 14.02 C ATOM 254 O GLU A 67 -3.185 9.857 0.163 1.00 74.41 O ATOM 255 CB GLU A 67 -6.470 8.590 0.335 1.00 11.42 C ATOM 256 CG GLU A 67 -7.634 8.165 -0.509 1.00 24.34 C ATOM 257 CD GLU A 67 -8.863 7.930 0.334 1.00 63.24 C ATOM 258 OE1 GLU A 67 -9.416 8.906 0.891 1.00 63.44 O ATOM 259 OE2 GLU A 67 -9.255 6.768 0.510 1.00 33.31 O ATOM 0 H GLU A 67 -5.128 6.602 -0.629 1.00 53.34 H new ATOM 0 HA GLU A 67 -5.247 9.487 -1.162 1.00 71.31 H new ATOM 0 HB2 GLU A 67 -6.349 7.877 1.151 1.00 11.42 H new ATOM 0 HB3 GLU A 67 -6.697 9.556 0.786 1.00 11.42 H new ATOM 0 HG2 GLU A 67 -7.843 8.931 -1.256 1.00 24.34 H new ATOM 0 HG3 GLU A 67 -7.381 7.253 -1.049 1.00 24.34 H new ATOM 266 N GLY A 68 -4.069 8.536 1.726 1.00 41.03 N ATOM 267 CA GLY A 68 -3.031 8.860 2.668 1.00 52.32 C ATOM 268 C GLY A 68 -2.771 7.753 3.634 1.00 11.21 C ATOM 269 O GLY A 68 -2.085 7.927 4.635 1.00 52.14 O ATOM 0 H GLY A 68 -4.775 7.881 2.062 1.00 41.03 H new ATOM 0 HA2 GLY A 68 -2.113 9.089 2.127 1.00 52.32 H new ATOM 0 HA3 GLY A 68 -3.311 9.759 3.217 1.00 52.32 H new ATOM 273 N GLY A 69 -3.296 6.617 3.332 1.00 35.24 N ATOM 274 CA GLY A 69 -3.101 5.496 4.177 1.00 32.11 C ATOM 275 C GLY A 69 -2.457 4.347 3.478 1.00 61.21 C ATOM 276 O GLY A 69 -1.758 4.513 2.488 1.00 23.32 O ATOM 0 H GLY A 69 -3.865 6.441 2.504 1.00 35.24 H new ATOM 0 HA2 GLY A 69 -2.484 5.790 5.026 1.00 32.11 H new ATOM 0 HA3 GLY A 69 -4.063 5.178 4.578 1.00 32.11 H new ATOM 280 N TYR A 70 -2.732 3.188 3.950 1.00 35.11 N ATOM 281 CA TYR A 70 -2.162 1.988 3.414 1.00 21.04 C ATOM 282 C TYR A 70 -3.219 1.254 2.644 1.00 34.33 C ATOM 283 O TYR A 70 -4.251 0.865 3.204 1.00 70.41 O ATOM 284 CB TYR A 70 -1.630 1.117 4.553 1.00 54.42 C ATOM 285 CG TYR A 70 -0.823 1.876 5.593 1.00 54.22 C ATOM 286 CD1 TYR A 70 0.284 2.646 5.242 1.00 31.43 C ATOM 287 CD2 TYR A 70 -1.202 1.854 6.924 1.00 34.45 C ATOM 288 CE1 TYR A 70 0.985 3.359 6.201 1.00 52.13 C ATOM 289 CE2 TYR A 70 -0.518 2.563 7.875 1.00 55.51 C ATOM 290 CZ TYR A 70 0.573 3.313 7.519 1.00 20.41 C ATOM 291 OH TYR A 70 1.257 4.023 8.488 1.00 11.13 O ATOM 0 H TYR A 70 -3.368 3.033 4.732 1.00 35.11 H new ATOM 0 HA TYR A 70 -1.333 2.231 2.749 1.00 21.04 H new ATOM 0 HB2 TYR A 70 -2.471 0.630 5.047 1.00 54.42 H new ATOM 0 HB3 TYR A 70 -1.008 0.328 4.132 1.00 54.42 H new ATOM 0 HD1 TYR A 70 0.599 2.688 4.210 1.00 31.43 H new ATOM 0 HD2 TYR A 70 -2.057 1.264 7.219 1.00 34.45 H new ATOM 0 HE1 TYR A 70 1.847 3.946 5.920 1.00 52.13 H new ATOM 0 HE2 TYR A 70 -0.838 2.531 8.906 1.00 55.51 H new ATOM 0 HH TYR A 70 0.832 3.879 9.360 1.00 11.13 H new ATOM 301 N GLU A 71 -3.011 1.146 1.359 1.00 4.34 N ATOM 302 CA GLU A 71 -3.904 0.418 0.504 1.00 5.50 C ATOM 303 C GLU A 71 -3.277 -0.909 0.226 1.00 43.24 C ATOM 304 O GLU A 71 -2.116 -0.967 -0.138 1.00 31.21 O ATOM 305 CB GLU A 71 -4.131 1.125 -0.845 1.00 22.34 C ATOM 306 CG GLU A 71 -5.136 0.380 -1.726 1.00 34.31 C ATOM 307 CD GLU A 71 -4.700 0.228 -3.172 1.00 55.41 C ATOM 308 OE1 GLU A 71 -3.491 -0.037 -3.423 1.00 0.50 O ATOM 309 OE2 GLU A 71 -5.550 0.393 -4.106 1.00 73.44 O ATOM 0 H GLU A 71 -2.215 1.562 0.876 1.00 4.34 H new ATOM 0 HA GLU A 71 -4.868 0.334 1.006 1.00 5.50 H new ATOM 0 HB2 GLU A 71 -4.489 2.139 -0.666 1.00 22.34 H new ATOM 0 HB3 GLU A 71 -3.181 1.211 -1.373 1.00 22.34 H new ATOM 0 HG2 GLU A 71 -5.309 -0.610 -1.304 1.00 34.31 H new ATOM 0 HG3 GLU A 71 -6.089 0.909 -1.699 1.00 34.31 H new ATOM 316 N CYS A 72 -4.007 -1.946 0.452 1.00 55.34 N ATOM 317 CA CYS A 72 -3.555 -3.271 0.090 1.00 54.00 C ATOM 318 C CYS A 72 -3.617 -3.428 -1.445 1.00 53.10 C ATOM 319 O CYS A 72 -4.573 -3.000 -2.080 1.00 14.45 O ATOM 320 CB CYS A 72 -4.483 -4.342 0.664 1.00 73.15 C ATOM 321 SG CYS A 72 -4.829 -4.329 2.469 1.00 53.42 S ATOM 0 H CYS A 72 -4.928 -1.915 0.889 1.00 55.34 H new ATOM 0 HA CYS A 72 -2.544 -3.391 0.478 1.00 54.00 H new ATOM 0 HB2 CYS A 72 -5.438 -4.267 0.143 1.00 73.15 H new ATOM 0 HB3 CYS A 72 -4.060 -5.315 0.415 1.00 73.15 H new ATOM 0 HG CYS A 72 -6.095 -4.547 2.670 1.00 53.42 H new ATOM 326 N LYS A 73 -2.642 -4.097 -2.021 1.00 44.31 N ATOM 327 CA LYS A 73 -2.660 -4.428 -3.445 1.00 52.14 C ATOM 328 C LYS A 73 -3.843 -5.356 -3.766 1.00 3.14 C ATOM 329 O LYS A 73 -4.288 -5.466 -4.897 1.00 61.01 O ATOM 330 CB LYS A 73 -1.287 -5.043 -3.870 1.00 62.00 C ATOM 331 CG LYS A 73 -1.221 -5.602 -5.300 1.00 23.32 C ATOM 332 CD LYS A 73 -1.551 -7.085 -5.308 1.00 63.32 C ATOM 333 CE LYS A 73 -1.759 -7.657 -6.715 1.00 2.25 C ATOM 334 NZ LYS A 73 -0.594 -7.449 -7.592 1.00 12.35 N ATOM 0 H LYS A 73 -1.815 -4.429 -1.526 1.00 44.31 H new ATOM 0 HA LYS A 73 -2.803 -3.518 -4.028 1.00 52.14 H new ATOM 0 HB2 LYS A 73 -0.518 -4.278 -3.763 1.00 62.00 H new ATOM 0 HB3 LYS A 73 -1.038 -5.844 -3.174 1.00 62.00 H new ATOM 0 HG2 LYS A 73 -1.921 -5.064 -5.939 1.00 23.32 H new ATOM 0 HG3 LYS A 73 -0.225 -5.443 -5.713 1.00 23.32 H new ATOM 0 HD2 LYS A 73 -0.745 -7.631 -4.818 1.00 63.32 H new ATOM 0 HD3 LYS A 73 -2.453 -7.252 -4.719 1.00 63.32 H new ATOM 0 HE2 LYS A 73 -1.967 -8.724 -6.642 1.00 2.25 H new ATOM 0 HE3 LYS A 73 -2.636 -7.192 -7.166 1.00 2.25 H new ATOM 0 HZ1 LYS A 73 -0.376 -8.333 -8.095 1.00 12.35 H new ATOM 0 HZ2 LYS A 73 -0.808 -6.701 -8.282 1.00 12.35 H new ATOM 0 HZ3 LYS A 73 0.226 -7.166 -7.018 1.00 12.35 H new ATOM 348 N TYR A 74 -4.367 -5.956 -2.741 1.00 12.40 N ATOM 349 CA TYR A 74 -5.417 -6.906 -2.849 1.00 52.55 C ATOM 350 C TYR A 74 -6.753 -6.357 -2.338 1.00 55.40 C ATOM 351 O TYR A 74 -7.736 -7.094 -2.257 1.00 25.55 O ATOM 352 CB TYR A 74 -4.993 -8.242 -2.182 1.00 71.24 C ATOM 353 CG TYR A 74 -3.984 -8.104 -1.032 1.00 54.11 C ATOM 354 CD1 TYR A 74 -2.614 -8.001 -1.297 1.00 51.53 C ATOM 355 CD2 TYR A 74 -4.383 -8.091 0.289 1.00 3.13 C ATOM 356 CE1 TYR A 74 -1.687 -7.884 -0.280 1.00 12.55 C ATOM 357 CE2 TYR A 74 -3.454 -7.975 1.314 1.00 55.21 C ATOM 358 CZ TYR A 74 -2.112 -7.873 1.023 1.00 0.14 C ATOM 359 OH TYR A 74 -1.194 -7.759 2.044 1.00 31.05 O ATOM 0 H TYR A 74 -4.063 -5.789 -1.782 1.00 12.40 H new ATOM 0 HA TYR A 74 -5.594 -7.115 -3.904 1.00 52.55 H new ATOM 0 HB2 TYR A 74 -5.885 -8.741 -1.804 1.00 71.24 H new ATOM 0 HB3 TYR A 74 -4.564 -8.891 -2.945 1.00 71.24 H new ATOM 0 HD1 TYR A 74 -2.273 -8.013 -2.322 1.00 51.53 H new ATOM 0 HD2 TYR A 74 -5.433 -8.172 0.529 1.00 3.13 H new ATOM 0 HE1 TYR A 74 -0.635 -7.802 -0.510 1.00 12.55 H new ATOM 0 HE2 TYR A 74 -3.785 -7.965 2.342 1.00 55.21 H new ATOM 0 HH TYR A 74 -1.661 -7.766 2.906 1.00 31.05 H new ATOM 369 N CYS A 75 -6.788 -5.051 -2.017 1.00 14.41 N ATOM 370 CA CYS A 75 -8.020 -4.388 -1.605 1.00 75.34 C ATOM 371 C CYS A 75 -7.794 -2.883 -1.453 1.00 23.11 C ATOM 372 O CYS A 75 -6.908 -2.462 -0.717 1.00 44.14 O ATOM 373 CB CYS A 75 -8.584 -4.994 -0.289 1.00 0.30 C ATOM 374 SG CYS A 75 -7.630 -4.671 1.271 1.00 24.33 S ATOM 0 H CYS A 75 -5.971 -4.440 -2.038 1.00 14.41 H new ATOM 0 HA CYS A 75 -8.762 -4.553 -2.386 1.00 75.34 H new ATOM 0 HB2 CYS A 75 -9.597 -4.616 -0.150 1.00 0.30 H new ATOM 0 HB3 CYS A 75 -8.662 -6.073 -0.420 1.00 0.30 H new ATOM 0 HG CYS A 75 -7.020 -5.758 1.640 1.00 24.33 H new ATOM 379 N THR A 76 -8.611 -2.075 -2.103 1.00 43.43 N ATOM 380 CA THR A 76 -8.477 -0.628 -1.995 1.00 71.34 C ATOM 381 C THR A 76 -9.276 -0.117 -0.763 1.00 22.43 C ATOM 382 O THR A 76 -9.742 1.020 -0.690 1.00 73.22 O ATOM 383 CB THR A 76 -8.879 0.100 -3.329 1.00 70.42 C ATOM 384 OG1 THR A 76 -8.123 -0.477 -4.417 1.00 15.42 O ATOM 385 CG2 THR A 76 -8.527 1.593 -3.287 1.00 54.42 C ATOM 0 H THR A 76 -9.370 -2.389 -2.708 1.00 43.43 H new ATOM 0 HA THR A 76 -7.427 -0.383 -1.836 1.00 71.34 H new ATOM 0 HB THR A 76 -9.955 -0.018 -3.460 1.00 70.42 H new ATOM 0 HG1 THR A 76 -7.169 -0.300 -4.282 1.00 15.42 H new ATOM 0 HG21 THR A 76 -8.820 2.062 -4.226 1.00 54.42 H new ATOM 0 HG22 THR A 76 -9.058 2.069 -2.463 1.00 54.42 H new ATOM 0 HG23 THR A 76 -7.453 1.710 -3.142 1.00 54.42 H new ATOM 393 N PHE A 77 -9.413 -0.990 0.213 1.00 45.14 N ATOM 394 CA PHE A 77 -9.936 -0.613 1.481 1.00 72.22 C ATOM 395 C PHE A 77 -8.738 -0.178 2.276 1.00 71.40 C ATOM 396 O PHE A 77 -7.970 -1.002 2.813 1.00 33.43 O ATOM 397 CB PHE A 77 -10.689 -1.761 2.159 1.00 51.52 C ATOM 398 CG PHE A 77 -11.852 -2.263 1.345 1.00 74.34 C ATOM 399 CD1 PHE A 77 -12.927 -1.436 1.066 1.00 74.22 C ATOM 400 CD2 PHE A 77 -11.869 -3.557 0.861 1.00 50.33 C ATOM 401 CE1 PHE A 77 -13.993 -1.891 0.317 1.00 52.11 C ATOM 402 CE2 PHE A 77 -12.933 -4.020 0.111 1.00 23.14 C ATOM 403 CZ PHE A 77 -13.995 -3.185 -0.162 1.00 1.14 C ATOM 0 H PHE A 77 -9.162 -1.976 0.136 1.00 45.14 H new ATOM 0 HA PHE A 77 -10.675 0.183 1.392 1.00 72.22 H new ATOM 0 HB2 PHE A 77 -9.998 -2.584 2.341 1.00 51.52 H new ATOM 0 HB3 PHE A 77 -11.050 -1.427 3.132 1.00 51.52 H new ATOM 0 HD1 PHE A 77 -12.931 -0.423 1.439 1.00 74.22 H new ATOM 0 HD2 PHE A 77 -11.039 -4.215 1.072 1.00 50.33 H new ATOM 0 HE1 PHE A 77 -14.825 -1.235 0.106 1.00 52.11 H new ATOM 0 HE2 PHE A 77 -12.933 -5.034 -0.261 1.00 23.14 H new ATOM 0 HZ PHE A 77 -14.827 -3.543 -0.750 1.00 1.14 H new ATOM 413 N GLN A 78 -8.544 1.092 2.285 1.00 3.11 N ATOM 414 CA GLN A 78 -7.359 1.685 2.782 1.00 35.41 C ATOM 415 C GLN A 78 -7.580 2.395 4.093 1.00 63.03 C ATOM 416 O GLN A 78 -8.644 2.986 4.347 1.00 22.32 O ATOM 417 CB GLN A 78 -6.813 2.638 1.713 1.00 13.34 C ATOM 418 CG GLN A 78 -5.903 3.716 2.234 1.00 40.40 C ATOM 419 CD GLN A 78 -5.322 4.577 1.158 1.00 60.54 C ATOM 420 OE1 GLN A 78 -5.913 5.530 0.718 1.00 4.34 O ATOM 421 NE2 GLN A 78 -4.128 4.325 0.833 1.00 30.11 N ATOM 0 H GLN A 78 -9.226 1.765 1.936 1.00 3.11 H new ATOM 0 HA GLN A 78 -6.630 0.902 2.990 1.00 35.41 H new ATOM 0 HB2 GLN A 78 -6.272 2.054 0.968 1.00 13.34 H new ATOM 0 HB3 GLN A 78 -7.653 3.107 1.201 1.00 13.34 H new ATOM 0 HG2 GLN A 78 -6.458 4.344 2.931 1.00 40.40 H new ATOM 0 HG3 GLN A 78 -5.092 3.255 2.797 1.00 40.40 H new ATOM 0 HE21 GLN A 78 -3.654 3.510 1.223 1.00 30.11 H new ATOM 0 HE22 GLN A 78 -3.637 4.936 0.181 1.00 30.11 H new ATOM 430 N THR A 79 -6.574 2.320 4.919 1.00 42.13 N ATOM 431 CA THR A 79 -6.584 2.936 6.186 1.00 31.54 C ATOM 432 C THR A 79 -5.169 3.402 6.525 1.00 61.35 C ATOM 433 O THR A 79 -4.204 2.692 6.266 1.00 60.44 O ATOM 434 CB THR A 79 -7.120 1.962 7.275 1.00 33.31 C ATOM 435 OG1 THR A 79 -7.018 2.556 8.576 1.00 2.32 O ATOM 436 CG2 THR A 79 -6.367 0.631 7.247 1.00 51.11 C ATOM 0 H THR A 79 -5.713 1.814 4.711 1.00 42.13 H new ATOM 0 HA THR A 79 -7.252 3.797 6.161 1.00 31.54 H new ATOM 0 HB THR A 79 -8.170 1.766 7.056 1.00 33.31 H new ATOM 0 HG1 THR A 79 -7.819 2.340 9.098 1.00 2.32 H new ATOM 0 HG21 THR A 79 -6.764 -0.028 8.019 1.00 51.11 H new ATOM 0 HG22 THR A 79 -6.492 0.163 6.271 1.00 51.11 H new ATOM 0 HG23 THR A 79 -5.307 0.808 7.431 1.00 51.11 H new ATOM 444 N PRO A 80 -5.015 4.652 6.954 1.00 31.51 N ATOM 445 CA PRO A 80 -3.736 5.171 7.461 1.00 43.42 C ATOM 446 C PRO A 80 -3.381 4.623 8.845 1.00 24.51 C ATOM 447 O PRO A 80 -2.327 4.941 9.405 1.00 30.01 O ATOM 448 CB PRO A 80 -3.954 6.683 7.504 1.00 63.41 C ATOM 449 CG PRO A 80 -5.429 6.850 7.609 1.00 54.53 C ATOM 450 CD PRO A 80 -6.032 5.706 6.848 1.00 25.12 C ATOM 0 HA PRO A 80 -2.899 4.872 6.830 1.00 43.42 H new ATOM 0 HB2 PRO A 80 -3.443 7.133 8.355 1.00 63.41 H new ATOM 0 HB3 PRO A 80 -3.564 7.165 6.607 1.00 63.41 H new ATOM 0 HG2 PRO A 80 -5.750 6.837 8.651 1.00 54.53 H new ATOM 0 HG3 PRO A 80 -5.744 7.806 7.190 1.00 54.53 H new ATOM 0 HD2 PRO A 80 -6.982 5.392 7.280 1.00 25.12 H new ATOM 0 HD3 PRO A 80 -6.227 5.973 5.809 1.00 25.12 H new ATOM 458 N ASP A 81 -4.256 3.807 9.393 1.00 44.43 N ATOM 459 CA ASP A 81 -3.999 3.171 10.654 1.00 51.41 C ATOM 460 C ASP A 81 -3.412 1.817 10.387 1.00 23.24 C ATOM 461 O ASP A 81 -4.094 0.951 9.840 1.00 44.15 O ATOM 462 CB ASP A 81 -5.278 3.014 11.493 1.00 74.53 C ATOM 463 CG ASP A 81 -5.924 4.318 11.877 1.00 11.42 C ATOM 464 OD1 ASP A 81 -5.337 5.084 12.667 1.00 34.34 O ATOM 465 OD2 ASP A 81 -7.040 4.605 11.410 1.00 41.32 O ATOM 0 H ASP A 81 -5.157 3.571 8.976 1.00 44.43 H new ATOM 0 HA ASP A 81 -3.310 3.796 11.222 1.00 51.41 H new ATOM 0 HB2 ASP A 81 -5.996 2.416 10.932 1.00 74.53 H new ATOM 0 HB3 ASP A 81 -5.039 2.458 12.400 1.00 74.53 H new ATOM 470 N LEU A 82 -2.145 1.639 10.733 1.00 51.30 N ATOM 471 CA LEU A 82 -1.428 0.390 10.550 1.00 33.41 C ATOM 472 C LEU A 82 -2.200 -0.730 11.235 1.00 24.45 C ATOM 473 O LEU A 82 -2.338 -1.816 10.678 1.00 24.31 O ATOM 474 CB LEU A 82 -0.013 0.506 11.154 1.00 41.13 C ATOM 475 CG LEU A 82 1.113 -0.366 10.538 1.00 54.25 C ATOM 476 CD1 LEU A 82 0.764 -1.835 10.520 1.00 20.03 C ATOM 477 CD2 LEU A 82 1.442 0.114 9.145 1.00 42.42 C ATOM 0 H LEU A 82 -1.578 2.374 11.156 1.00 51.30 H new ATOM 0 HA LEU A 82 -1.336 0.170 9.486 1.00 33.41 H new ATOM 0 HB2 LEU A 82 0.296 1.549 11.084 1.00 41.13 H new ATOM 0 HB3 LEU A 82 -0.081 0.264 12.215 1.00 41.13 H new ATOM 0 HG LEU A 82 1.990 -0.256 11.176 1.00 54.25 H new ATOM 0 HD11 LEU A 82 1.586 -2.399 10.079 1.00 20.03 H new ATOM 0 HD12 LEU A 82 0.593 -2.181 11.539 1.00 20.03 H new ATOM 0 HD13 LEU A 82 -0.139 -1.987 9.929 1.00 20.03 H new ATOM 0 HD21 LEU A 82 2.233 -0.506 8.724 1.00 42.42 H new ATOM 0 HD22 LEU A 82 0.554 0.045 8.517 1.00 42.42 H new ATOM 0 HD23 LEU A 82 1.777 1.150 9.187 1.00 42.42 H new ATOM 489 N ASN A 83 -2.735 -0.432 12.426 1.00 31.22 N ATOM 490 CA ASN A 83 -3.525 -1.366 13.201 1.00 71.41 C ATOM 491 C ASN A 83 -4.627 -1.917 12.350 1.00 25.13 C ATOM 492 O ASN A 83 -4.723 -3.103 12.172 1.00 3.42 O ATOM 493 CB ASN A 83 -4.145 -0.668 14.411 1.00 71.03 C ATOM 494 CG ASN A 83 -5.011 -1.565 15.266 1.00 74.33 C ATOM 495 OD1 ASN A 83 -5.955 -1.104 15.897 1.00 4.33 O ATOM 496 ND2 ASN A 83 -4.727 -2.816 15.289 1.00 61.10 N ATOM 0 H ASN A 83 -2.624 0.478 12.874 1.00 31.22 H new ATOM 0 HA ASN A 83 -2.872 -2.169 13.542 1.00 71.41 H new ATOM 0 HB2 ASN A 83 -3.346 -0.257 15.028 1.00 71.03 H new ATOM 0 HB3 ASN A 83 -4.744 0.173 14.064 1.00 71.03 H new ATOM 0 HD21 ASN A 83 -5.294 -3.458 15.844 1.00 61.10 H new ATOM 0 HD22 ASN A 83 -3.934 -3.169 14.753 1.00 61.10 H new ATOM 503 N MET A 84 -5.376 -1.032 11.741 1.00 74.44 N ATOM 504 CA MET A 84 -6.534 -1.426 10.965 1.00 15.11 C ATOM 505 C MET A 84 -6.103 -2.052 9.671 1.00 3.03 C ATOM 506 O MET A 84 -6.790 -2.915 9.127 1.00 74.14 O ATOM 507 CB MET A 84 -7.437 -0.237 10.689 1.00 52.20 C ATOM 508 CG MET A 84 -7.907 0.448 11.936 1.00 43.11 C ATOM 509 SD MET A 84 -8.886 -0.642 12.995 1.00 12.31 S ATOM 510 CE MET A 84 -9.227 0.449 14.374 1.00 54.22 C ATOM 0 H MET A 84 -5.206 -0.027 11.766 1.00 74.44 H new ATOM 0 HA MET A 84 -7.097 -2.156 11.547 1.00 15.11 H new ATOM 0 HB2 MET A 84 -6.902 0.481 10.067 1.00 52.20 H new ATOM 0 HB3 MET A 84 -8.303 -0.571 10.117 1.00 52.20 H new ATOM 0 HG2 MET A 84 -7.045 0.813 12.494 1.00 43.11 H new ATOM 0 HG3 MET A 84 -8.504 1.319 11.666 1.00 43.11 H new ATOM 0 HE1 MET A 84 -9.825 -0.079 15.116 1.00 54.22 H new ATOM 0 HE2 MET A 84 -8.288 0.769 14.826 1.00 54.22 H new ATOM 0 HE3 MET A 84 -9.775 1.322 14.020 1.00 54.22 H new ATOM 520 N PHE A 85 -4.965 -1.614 9.177 1.00 11.23 N ATOM 521 CA PHE A 85 -4.415 -2.150 7.961 1.00 64.00 C ATOM 522 C PHE A 85 -4.072 -3.616 8.128 1.00 51.20 C ATOM 523 O PHE A 85 -4.621 -4.452 7.436 1.00 22.20 O ATOM 524 CB PHE A 85 -3.186 -1.343 7.521 1.00 54.24 C ATOM 525 CG PHE A 85 -2.426 -1.966 6.383 1.00 41.11 C ATOM 526 CD1 PHE A 85 -2.946 -1.979 5.092 1.00 2.22 C ATOM 527 CD2 PHE A 85 -1.187 -2.549 6.611 1.00 14.43 C ATOM 528 CE1 PHE A 85 -2.239 -2.560 4.056 1.00 61.23 C ATOM 529 CE2 PHE A 85 -0.481 -3.132 5.577 1.00 45.31 C ATOM 530 CZ PHE A 85 -1.006 -3.136 4.298 1.00 61.03 C ATOM 0 H PHE A 85 -4.402 -0.881 9.607 1.00 11.23 H new ATOM 0 HA PHE A 85 -5.169 -2.069 7.178 1.00 64.00 H new ATOM 0 HB2 PHE A 85 -3.506 -0.343 7.228 1.00 54.24 H new ATOM 0 HB3 PHE A 85 -2.516 -1.226 8.373 1.00 54.24 H new ATOM 0 HD1 PHE A 85 -3.910 -1.532 4.898 1.00 2.22 H new ATOM 0 HD2 PHE A 85 -0.771 -2.547 7.608 1.00 14.43 H new ATOM 0 HE1 PHE A 85 -2.650 -2.564 3.057 1.00 61.23 H new ATOM 0 HE2 PHE A 85 0.481 -3.585 5.767 1.00 45.31 H new ATOM 0 HZ PHE A 85 -0.453 -3.589 3.488 1.00 61.03 H new ATOM 540 N THR A 86 -3.269 -3.924 9.108 1.00 62.42 N ATOM 541 CA THR A 86 -2.850 -5.288 9.319 1.00 22.12 C ATOM 542 C THR A 86 -3.998 -6.116 9.914 1.00 73.32 C ATOM 543 O THR A 86 -4.090 -7.313 9.683 1.00 41.10 O ATOM 544 CB THR A 86 -1.531 -5.389 10.163 1.00 43.02 C ATOM 545 OG1 THR A 86 -1.090 -6.751 10.292 1.00 44.34 O ATOM 546 CG2 THR A 86 -1.700 -4.777 11.537 1.00 23.43 C ATOM 0 H THR A 86 -2.890 -3.252 9.775 1.00 62.42 H new ATOM 0 HA THR A 86 -2.603 -5.715 8.347 1.00 22.12 H new ATOM 0 HB THR A 86 -0.771 -4.825 9.622 1.00 43.02 H new ATOM 0 HG1 THR A 86 -0.266 -6.779 10.822 1.00 44.34 H new ATOM 0 HG21 THR A 86 -0.766 -4.866 12.092 1.00 23.43 H new ATOM 0 HG22 THR A 86 -1.964 -3.724 11.436 1.00 23.43 H new ATOM 0 HG23 THR A 86 -2.492 -5.300 12.073 1.00 23.43 H new ATOM 554 N PHE A 87 -4.905 -5.449 10.624 1.00 71.14 N ATOM 555 CA PHE A 87 -6.051 -6.109 11.207 1.00 35.32 C ATOM 556 C PHE A 87 -7.014 -6.574 10.143 1.00 61.11 C ATOM 557 O PHE A 87 -7.385 -7.739 10.129 1.00 53.22 O ATOM 558 CB PHE A 87 -6.754 -5.215 12.239 1.00 44.14 C ATOM 559 CG PHE A 87 -8.110 -5.695 12.657 1.00 51.41 C ATOM 560 CD1 PHE A 87 -8.263 -6.894 13.321 1.00 71.41 C ATOM 561 CD2 PHE A 87 -9.235 -4.946 12.366 1.00 51.41 C ATOM 562 CE1 PHE A 87 -9.512 -7.337 13.691 1.00 73.12 C ATOM 563 CE2 PHE A 87 -10.488 -5.384 12.735 1.00 40.21 C ATOM 564 CZ PHE A 87 -10.626 -6.580 13.400 1.00 43.34 C ATOM 0 H PHE A 87 -4.860 -4.446 10.805 1.00 71.14 H new ATOM 0 HA PHE A 87 -5.685 -6.990 11.734 1.00 35.32 H new ATOM 0 HB2 PHE A 87 -6.122 -5.137 13.123 1.00 44.14 H new ATOM 0 HB3 PHE A 87 -6.850 -4.211 11.826 1.00 44.14 H new ATOM 0 HD1 PHE A 87 -7.394 -7.491 13.553 1.00 71.41 H new ATOM 0 HD2 PHE A 87 -9.130 -4.007 11.843 1.00 51.41 H new ATOM 0 HE1 PHE A 87 -9.619 -8.278 14.210 1.00 73.12 H new ATOM 0 HE2 PHE A 87 -11.359 -4.790 12.503 1.00 40.21 H new ATOM 0 HZ PHE A 87 -11.606 -6.925 13.694 1.00 43.34 H new ATOM 574 N HIS A 88 -7.394 -5.688 9.222 1.00 23.22 N ATOM 575 CA HIS A 88 -8.333 -6.077 8.183 1.00 20.41 C ATOM 576 C HIS A 88 -7.677 -7.127 7.287 1.00 4.45 C ATOM 577 O HIS A 88 -8.336 -7.986 6.733 1.00 22.22 O ATOM 578 CB HIS A 88 -8.909 -4.862 7.385 1.00 74.25 C ATOM 579 CG HIS A 88 -8.081 -4.341 6.232 1.00 5.15 C ATOM 580 ND1 HIS A 88 -7.245 -3.252 6.304 1.00 0.35 N ATOM 581 CD2 HIS A 88 -8.010 -4.787 4.959 1.00 23.10 C ATOM 582 CE1 HIS A 88 -6.697 -3.062 5.106 1.00 22.21 C ATOM 583 NE2 HIS A 88 -7.132 -3.991 4.226 1.00 60.43 N ATOM 0 H HIS A 88 -7.073 -4.721 9.177 1.00 23.22 H new ATOM 0 HA HIS A 88 -9.209 -6.520 8.656 1.00 20.41 H new ATOM 0 HB2 HIS A 88 -9.888 -5.145 6.998 1.00 74.25 H new ATOM 0 HB3 HIS A 88 -9.068 -4.042 8.085 1.00 74.25 H new ATOM 0 HD1 HIS A 88 -7.074 -2.686 7.135 1.00 0.35 H new ATOM 0 HD2 HIS A 88 -8.553 -5.635 4.567 1.00 23.10 H new ATOM 0 HE1 HIS A 88 -5.999 -2.272 4.869 1.00 22.21 H new ATOM 591 N VAL A 89 -6.357 -7.051 7.179 1.00 33.33 N ATOM 592 CA VAL A 89 -5.609 -8.030 6.439 1.00 11.21 C ATOM 593 C VAL A 89 -5.701 -9.363 7.143 1.00 3.15 C ATOM 594 O VAL A 89 -6.265 -10.270 6.620 1.00 25.12 O ATOM 595 CB VAL A 89 -4.119 -7.625 6.237 1.00 71.12 C ATOM 596 CG1 VAL A 89 -3.294 -8.784 5.686 1.00 34.23 C ATOM 597 CG2 VAL A 89 -4.004 -6.446 5.294 1.00 32.15 C ATOM 0 H VAL A 89 -5.791 -6.315 7.600 1.00 33.33 H new ATOM 0 HA VAL A 89 -6.048 -8.099 5.444 1.00 11.21 H new ATOM 0 HB VAL A 89 -3.729 -7.349 7.217 1.00 71.12 H new ATOM 0 HG11 VAL A 89 -2.260 -8.466 5.558 1.00 34.23 H new ATOM 0 HG12 VAL A 89 -3.332 -9.621 6.383 1.00 34.23 H new ATOM 0 HG13 VAL A 89 -3.700 -9.094 4.723 1.00 34.23 H new ATOM 0 HG21 VAL A 89 -2.954 -6.181 5.169 1.00 32.15 H new ATOM 0 HG22 VAL A 89 -4.430 -6.711 4.326 1.00 32.15 H new ATOM 0 HG23 VAL A 89 -4.546 -5.595 5.707 1.00 32.15 H new ATOM 607 N ASP A 90 -5.260 -9.415 8.377 1.00 73.15 N ATOM 608 CA ASP A 90 -5.201 -10.668 9.137 1.00 45.14 C ATOM 609 C ASP A 90 -6.592 -11.269 9.352 1.00 63.04 C ATOM 610 O ASP A 90 -6.747 -12.480 9.538 1.00 71.55 O ATOM 611 CB ASP A 90 -4.508 -10.433 10.480 1.00 42.20 C ATOM 612 CG ASP A 90 -4.312 -11.695 11.287 1.00 73.42 C ATOM 613 OD1 ASP A 90 -3.291 -12.381 11.090 1.00 3.22 O ATOM 614 OD2 ASP A 90 -5.154 -12.002 12.165 1.00 64.24 O ATOM 0 H ASP A 90 -4.930 -8.599 8.893 1.00 73.15 H new ATOM 0 HA ASP A 90 -4.623 -11.385 8.554 1.00 45.14 H new ATOM 0 HB2 ASP A 90 -3.537 -9.970 10.303 1.00 42.20 H new ATOM 0 HB3 ASP A 90 -5.096 -9.725 11.064 1.00 42.20 H new ATOM 619 N SER A 91 -7.590 -10.428 9.292 1.00 40.42 N ATOM 620 CA SER A 91 -8.947 -10.846 9.490 1.00 1.11 C ATOM 621 C SER A 91 -9.571 -11.326 8.166 1.00 64.12 C ATOM 622 O SER A 91 -10.208 -12.387 8.120 1.00 34.40 O ATOM 623 CB SER A 91 -9.772 -9.690 10.098 1.00 1.53 C ATOM 624 OG SER A 91 -11.069 -10.106 10.515 1.00 65.15 O ATOM 0 H SER A 91 -7.482 -9.431 9.104 1.00 40.42 H new ATOM 0 HA SER A 91 -8.956 -11.685 10.186 1.00 1.11 H new ATOM 0 HB2 SER A 91 -9.236 -9.275 10.951 1.00 1.53 H new ATOM 0 HB3 SER A 91 -9.869 -8.891 9.363 1.00 1.53 H new ATOM 0 HG SER A 91 -11.552 -9.342 10.894 1.00 65.15 H new ATOM 630 N GLU A 92 -9.349 -10.592 7.095 1.00 52.14 N ATOM 631 CA GLU A 92 -10.024 -10.901 5.835 1.00 10.43 C ATOM 632 C GLU A 92 -9.131 -11.632 4.842 1.00 73.04 C ATOM 633 O GLU A 92 -9.541 -12.632 4.242 1.00 53.42 O ATOM 634 CB GLU A 92 -10.586 -9.636 5.211 1.00 15.21 C ATOM 635 CG GLU A 92 -11.587 -8.920 6.097 1.00 31.41 C ATOM 636 CD GLU A 92 -12.149 -7.695 5.448 1.00 5.02 C ATOM 637 OE1 GLU A 92 -13.000 -7.823 4.531 1.00 24.14 O ATOM 638 OE2 GLU A 92 -11.783 -6.576 5.836 1.00 10.24 O ATOM 0 H GLU A 92 -8.720 -9.790 7.062 1.00 52.14 H new ATOM 0 HA GLU A 92 -10.841 -11.581 6.078 1.00 10.43 H new ATOM 0 HB2 GLU A 92 -9.765 -8.957 4.981 1.00 15.21 H new ATOM 0 HB3 GLU A 92 -11.065 -9.888 4.265 1.00 15.21 H new ATOM 0 HG2 GLU A 92 -12.400 -9.602 6.346 1.00 31.41 H new ATOM 0 HG3 GLU A 92 -11.105 -8.643 7.035 1.00 31.41 H new ATOM 645 N HIS A 93 -7.923 -11.170 4.694 1.00 42.55 N ATOM 646 CA HIS A 93 -6.979 -11.710 3.741 1.00 3.21 C ATOM 647 C HIS A 93 -5.592 -11.925 4.360 1.00 35.12 C ATOM 648 O HIS A 93 -4.636 -11.258 3.982 1.00 34.22 O ATOM 649 CB HIS A 93 -6.893 -10.811 2.486 1.00 23.14 C ATOM 650 CG HIS A 93 -7.141 -9.312 2.696 1.00 2.23 C ATOM 651 ND1 HIS A 93 -8.351 -8.708 2.448 1.00 54.50 N ATOM 652 CD2 HIS A 93 -6.305 -8.310 3.089 1.00 24.15 C ATOM 653 CE1 HIS A 93 -8.242 -7.412 2.676 1.00 54.02 C ATOM 654 NE2 HIS A 93 -6.998 -7.077 3.072 1.00 65.50 N ATOM 0 H HIS A 93 -7.553 -10.392 5.240 1.00 42.55 H new ATOM 0 HA HIS A 93 -7.348 -12.690 3.439 1.00 3.21 H new ATOM 0 HB2 HIS A 93 -5.903 -10.934 2.046 1.00 23.14 H new ATOM 0 HB3 HIS A 93 -7.614 -11.176 1.755 1.00 23.14 H new ATOM 0 HD1 HIS A 93 -9.198 -9.185 2.138 1.00 54.50 H new ATOM 0 HD2 HIS A 93 -5.270 -8.438 3.371 1.00 24.15 H new ATOM 0 HE1 HIS A 93 -9.051 -6.706 2.559 1.00 54.02 H new ATOM 662 N PRO A 94 -5.480 -12.828 5.365 1.00 1.44 N ATOM 663 CA PRO A 94 -4.219 -13.071 6.047 1.00 65.35 C ATOM 664 C PRO A 94 -3.219 -13.805 5.153 1.00 23.43 C ATOM 665 O PRO A 94 -2.047 -13.432 5.064 1.00 1.35 O ATOM 666 CB PRO A 94 -4.610 -13.956 7.237 1.00 34.42 C ATOM 667 CG PRO A 94 -5.893 -14.592 6.847 1.00 53.20 C ATOM 668 CD PRO A 94 -6.578 -13.634 5.929 1.00 43.31 C ATOM 0 HA PRO A 94 -3.730 -12.141 6.337 1.00 65.35 H new ATOM 0 HB2 PRO A 94 -3.845 -14.706 7.438 1.00 34.42 H new ATOM 0 HB3 PRO A 94 -4.724 -13.365 8.146 1.00 34.42 H new ATOM 0 HG2 PRO A 94 -5.718 -15.547 6.351 1.00 53.20 H new ATOM 0 HG3 PRO A 94 -6.507 -14.796 7.724 1.00 53.20 H new ATOM 0 HD2 PRO A 94 -7.131 -14.156 5.148 1.00 43.31 H new ATOM 0 HD3 PRO A 94 -7.295 -13.012 6.465 1.00 43.31 H new ATOM 676 N ASN A 95 -3.691 -14.836 4.476 1.00 5.32 N ATOM 677 CA ASN A 95 -2.840 -15.637 3.633 1.00 10.10 C ATOM 678 C ASN A 95 -3.078 -15.272 2.198 1.00 23.11 C ATOM 679 O ASN A 95 -4.011 -15.785 1.549 1.00 60.32 O ATOM 680 CB ASN A 95 -3.087 -17.147 3.834 1.00 62.41 C ATOM 681 CG ASN A 95 -2.938 -17.591 5.273 1.00 31.34 C ATOM 682 OD1 ASN A 95 -1.855 -17.934 5.716 1.00 13.15 O ATOM 683 ND2 ASN A 95 -4.027 -17.628 5.996 1.00 64.01 N ATOM 0 H ASN A 95 -4.666 -15.135 4.498 1.00 5.32 H new ATOM 0 HA ASN A 95 -1.805 -15.433 3.908 1.00 10.10 H new ATOM 0 HB2 ASN A 95 -4.090 -17.393 3.487 1.00 62.41 H new ATOM 0 HB3 ASN A 95 -2.388 -17.708 3.214 1.00 62.41 H new ATOM 0 HD21 ASN A 95 -3.987 -17.951 6.963 1.00 64.01 H new ATOM 0 HD22 ASN A 95 -4.917 -17.334 5.593 1.00 64.01 H new ATOM 690 N VAL A 96 -2.298 -14.370 1.705 1.00 10.44 N ATOM 691 CA VAL A 96 -2.434 -13.928 0.357 1.00 30.45 C ATOM 692 C VAL A 96 -1.054 -13.819 -0.282 1.00 74.24 C ATOM 693 O VAL A 96 -0.177 -13.087 0.194 1.00 13.13 O ATOM 694 CB VAL A 96 -3.272 -12.603 0.257 1.00 64.24 C ATOM 695 CG1 VAL A 96 -2.654 -11.460 1.035 1.00 25.04 C ATOM 696 CG2 VAL A 96 -3.530 -12.213 -1.192 1.00 31.25 C ATOM 0 H VAL A 96 -1.547 -13.917 2.226 1.00 10.44 H new ATOM 0 HA VAL A 96 -3.004 -14.666 -0.208 1.00 30.45 H new ATOM 0 HB VAL A 96 -4.235 -12.812 0.724 1.00 64.24 H new ATOM 0 HG11 VAL A 96 -3.275 -10.571 0.930 1.00 25.04 H new ATOM 0 HG12 VAL A 96 -2.585 -11.732 2.088 1.00 25.04 H new ATOM 0 HG13 VAL A 96 -1.656 -11.254 0.647 1.00 25.04 H new ATOM 0 HG21 VAL A 96 -4.112 -11.292 -1.223 1.00 31.25 H new ATOM 0 HG22 VAL A 96 -2.579 -12.058 -1.702 1.00 31.25 H new ATOM 0 HG23 VAL A 96 -4.084 -13.009 -1.690 1.00 31.25 H new ATOM 706 N VAL A 97 -0.856 -14.602 -1.310 1.00 40.21 N ATOM 707 CA VAL A 97 0.408 -14.685 -1.991 1.00 30.10 C ATOM 708 C VAL A 97 0.232 -14.183 -3.405 1.00 30.12 C ATOM 709 O VAL A 97 -0.484 -14.790 -4.207 1.00 72.40 O ATOM 710 CB VAL A 97 0.943 -16.151 -2.012 1.00 75.25 C ATOM 711 CG1 VAL A 97 2.281 -16.251 -2.741 1.00 33.20 C ATOM 712 CG2 VAL A 97 1.078 -16.691 -0.593 1.00 60.21 C ATOM 0 H VAL A 97 -1.577 -15.207 -1.702 1.00 40.21 H new ATOM 0 HA VAL A 97 1.136 -14.072 -1.460 1.00 30.10 H new ATOM 0 HB VAL A 97 0.218 -16.756 -2.556 1.00 75.25 H new ATOM 0 HG11 VAL A 97 2.622 -17.286 -2.735 1.00 33.20 H new ATOM 0 HG12 VAL A 97 2.160 -15.914 -3.771 1.00 33.20 H new ATOM 0 HG13 VAL A 97 3.017 -15.624 -2.238 1.00 33.20 H new ATOM 0 HG21 VAL A 97 1.452 -17.714 -0.627 1.00 60.21 H new ATOM 0 HG22 VAL A 97 1.775 -16.068 -0.032 1.00 60.21 H new ATOM 0 HG23 VAL A 97 0.104 -16.677 -0.104 1.00 60.21 H new ATOM 722 N LEU A 98 0.829 -13.069 -3.690 1.00 43.35 N ATOM 723 CA LEU A 98 0.753 -12.462 -4.996 1.00 13.10 C ATOM 724 C LEU A 98 2.018 -12.787 -5.773 1.00 61.40 C ATOM 725 O LEU A 98 2.758 -13.703 -5.397 1.00 21.12 O ATOM 726 CB LEU A 98 0.555 -10.931 -4.881 1.00 53.54 C ATOM 727 CG LEU A 98 -0.726 -10.429 -4.174 1.00 44.52 C ATOM 728 CD1 LEU A 98 -1.976 -11.099 -4.716 1.00 53.44 C ATOM 729 CD2 LEU A 98 -0.638 -10.539 -2.658 1.00 42.22 C ATOM 0 H LEU A 98 1.391 -12.544 -3.020 1.00 43.35 H new ATOM 0 HA LEU A 98 -0.108 -12.865 -5.529 1.00 13.10 H new ATOM 0 HB2 LEU A 98 1.415 -10.519 -4.352 1.00 53.54 H new ATOM 0 HB3 LEU A 98 0.570 -10.513 -5.888 1.00 53.54 H new ATOM 0 HG LEU A 98 -0.805 -9.367 -4.404 1.00 44.52 H new ATOM 0 HD11 LEU A 98 -2.851 -10.716 -4.191 1.00 53.44 H new ATOM 0 HD12 LEU A 98 -2.070 -10.886 -5.781 1.00 53.44 H new ATOM 0 HD13 LEU A 98 -1.905 -12.176 -4.566 1.00 53.44 H new ATOM 0 HD21 LEU A 98 -1.563 -10.173 -2.212 1.00 42.22 H new ATOM 0 HD22 LEU A 98 -0.487 -11.581 -2.377 1.00 42.22 H new ATOM 0 HD23 LEU A 98 0.199 -9.941 -2.298 1.00 42.22 H new ATOM 741 N ASN A 99 2.265 -12.088 -6.854 1.00 54.24 N ATOM 742 CA ASN A 99 3.466 -12.355 -7.618 1.00 55.33 C ATOM 743 C ASN A 99 4.378 -11.130 -7.682 1.00 10.21 C ATOM 744 O ASN A 99 5.338 -11.042 -6.946 1.00 21.05 O ATOM 745 CB ASN A 99 3.148 -12.873 -9.019 1.00 74.15 C ATOM 746 CG ASN A 99 4.395 -13.329 -9.759 1.00 12.20 C ATOM 747 OD1 ASN A 99 5.348 -13.826 -9.158 1.00 12.23 O ATOM 748 ND2 ASN A 99 4.408 -13.156 -11.049 1.00 34.00 N ATOM 0 H ASN A 99 1.669 -11.346 -7.221 1.00 54.24 H new ATOM 0 HA ASN A 99 4.004 -13.144 -7.091 1.00 55.33 H new ATOM 0 HB2 ASN A 99 2.446 -13.704 -8.947 1.00 74.15 H new ATOM 0 HB3 ASN A 99 2.654 -12.088 -9.592 1.00 74.15 H new ATOM 0 HD21 ASN A 99 5.225 -13.435 -11.593 1.00 34.00 H new ATOM 0 HD22 ASN A 99 3.602 -12.741 -11.516 1.00 34.00 H new ATOM 755 N SER A 100 4.064 -10.170 -8.536 1.00 25.12 N ATOM 756 CA SER A 100 4.904 -8.994 -8.673 1.00 24.54 C ATOM 757 C SER A 100 4.122 -7.733 -8.302 1.00 1.04 C ATOM 758 O SER A 100 3.077 -7.435 -8.901 1.00 71.01 O ATOM 759 CB SER A 100 5.431 -8.911 -10.101 1.00 14.41 C ATOM 760 OG SER A 100 6.068 -10.128 -10.461 1.00 10.42 O ATOM 0 H SER A 100 3.242 -10.182 -9.139 1.00 25.12 H new ATOM 0 HA SER A 100 5.750 -9.072 -7.991 1.00 24.54 H new ATOM 0 HB2 SER A 100 4.610 -8.705 -10.788 1.00 14.41 H new ATOM 0 HB3 SER A 100 6.135 -8.084 -10.189 1.00 14.41 H new ATOM 0 HG SER A 100 6.401 -10.063 -11.380 1.00 10.42 H new ATOM 766 N SER A 101 4.577 -7.038 -7.278 1.00 61.32 N ATOM 767 CA SER A 101 3.962 -5.847 -6.786 1.00 34.14 C ATOM 768 C SER A 101 5.016 -5.014 -6.048 1.00 74.53 C ATOM 769 O SER A 101 6.151 -5.487 -5.865 1.00 5.40 O ATOM 770 CB SER A 101 2.829 -6.238 -5.843 1.00 12.03 C ATOM 771 OG SER A 101 1.852 -7.029 -6.517 1.00 23.12 O ATOM 0 H SER A 101 5.412 -7.305 -6.757 1.00 61.32 H new ATOM 0 HA SER A 101 3.555 -5.254 -7.605 1.00 34.14 H new ATOM 0 HB2 SER A 101 3.231 -6.794 -4.997 1.00 12.03 H new ATOM 0 HB3 SER A 101 2.360 -5.340 -5.440 1.00 12.03 H new ATOM 0 HG SER A 101 1.665 -7.835 -5.992 1.00 23.12 H new ATOM 777 N TYR A 102 4.651 -3.811 -5.645 1.00 75.55 N ATOM 778 CA TYR A 102 5.536 -2.905 -4.929 1.00 4.23 C ATOM 779 C TYR A 102 5.037 -2.638 -3.518 1.00 20.11 C ATOM 780 O TYR A 102 3.823 -2.486 -3.288 1.00 23.35 O ATOM 781 CB TYR A 102 5.652 -1.584 -5.665 1.00 51.35 C ATOM 782 CG TYR A 102 6.750 -1.469 -6.695 1.00 44.34 C ATOM 783 CD1 TYR A 102 6.967 -2.439 -7.664 1.00 52.04 C ATOM 784 CD2 TYR A 102 7.577 -0.355 -6.688 1.00 44.22 C ATOM 785 CE1 TYR A 102 7.975 -2.298 -8.596 1.00 71.12 C ATOM 786 CE2 TYR A 102 8.581 -0.208 -7.614 1.00 52.23 C ATOM 787 CZ TYR A 102 8.778 -1.179 -8.567 1.00 24.23 C ATOM 788 OH TYR A 102 9.783 -1.027 -9.496 1.00 34.53 O ATOM 0 H TYR A 102 3.719 -3.429 -5.807 1.00 75.55 H new ATOM 0 HA TYR A 102 6.512 -3.386 -4.873 1.00 4.23 H new ATOM 0 HB2 TYR A 102 4.701 -1.387 -6.160 1.00 51.35 H new ATOM 0 HB3 TYR A 102 5.796 -0.796 -4.926 1.00 51.35 H new ATOM 0 HD1 TYR A 102 6.338 -3.317 -7.689 1.00 52.04 H new ATOM 0 HD2 TYR A 102 7.429 0.411 -5.941 1.00 44.22 H new ATOM 0 HE1 TYR A 102 8.133 -3.061 -9.344 1.00 71.12 H new ATOM 0 HE2 TYR A 102 9.213 0.667 -7.593 1.00 52.23 H new ATOM 0 HH TYR A 102 10.253 -0.182 -9.334 1.00 34.53 H new ATOM 798 N VAL A 103 5.963 -2.589 -2.583 1.00 73.22 N ATOM 799 CA VAL A 103 5.651 -2.328 -1.192 1.00 52.31 C ATOM 800 C VAL A 103 6.578 -1.241 -0.622 1.00 74.31 C ATOM 801 O VAL A 103 7.754 -1.175 -0.950 1.00 5.31 O ATOM 802 CB VAL A 103 5.773 -3.646 -0.343 1.00 53.42 C ATOM 803 CG1 VAL A 103 7.145 -4.167 -0.365 1.00 4.23 C ATOM 804 CG2 VAL A 103 5.346 -3.484 1.087 1.00 62.13 C ATOM 0 H VAL A 103 6.957 -2.729 -2.766 1.00 73.22 H new ATOM 0 HA VAL A 103 4.623 -1.970 -1.135 1.00 52.31 H new ATOM 0 HB VAL A 103 5.090 -4.351 -0.817 1.00 53.42 H new ATOM 0 HG11 VAL A 103 7.198 -5.078 0.231 1.00 4.23 H new ATOM 0 HG12 VAL A 103 7.434 -4.388 -1.393 1.00 4.23 H new ATOM 0 HG13 VAL A 103 7.824 -3.422 0.051 1.00 4.23 H new ATOM 0 HG21 VAL A 103 5.458 -4.434 1.610 1.00 62.13 H new ATOM 0 HG22 VAL A 103 5.967 -2.729 1.569 1.00 62.13 H new ATOM 0 HG23 VAL A 103 4.302 -3.171 1.122 1.00 62.13 H new ATOM 814 N CYS A 104 6.033 -0.371 0.184 1.00 15.34 N ATOM 815 CA CYS A 104 6.843 0.583 0.905 1.00 25.44 C ATOM 816 C CYS A 104 7.340 -0.145 2.092 1.00 61.33 C ATOM 817 O CYS A 104 6.576 -0.397 2.967 1.00 64.12 O ATOM 818 CB CYS A 104 5.985 1.795 1.341 1.00 14.22 C ATOM 819 SG CYS A 104 6.756 3.021 2.549 1.00 23.03 S ATOM 0 H CYS A 104 5.031 -0.300 0.361 1.00 15.34 H new ATOM 0 HA CYS A 104 7.658 0.970 0.293 1.00 25.44 H new ATOM 0 HB2 CYS A 104 5.697 2.343 0.444 1.00 14.22 H new ATOM 0 HB3 CYS A 104 5.068 1.413 1.789 1.00 14.22 H new ATOM 0 HG CYS A 104 6.221 2.868 3.724 1.00 23.03 H new ATOM 824 N VAL A 105 8.594 -0.546 2.085 1.00 52.54 N ATOM 825 CA VAL A 105 9.202 -1.309 3.191 1.00 13.31 C ATOM 826 C VAL A 105 9.041 -0.574 4.497 1.00 53.53 C ATOM 827 O VAL A 105 8.838 -1.177 5.543 1.00 40.22 O ATOM 828 CB VAL A 105 10.708 -1.512 2.988 1.00 14.33 C ATOM 829 CG1 VAL A 105 11.089 -2.906 3.237 1.00 73.05 C ATOM 830 CG2 VAL A 105 11.157 -1.095 1.635 1.00 33.44 C ATOM 0 H VAL A 105 9.236 -0.358 1.315 1.00 52.54 H new ATOM 0 HA VAL A 105 8.691 -2.272 3.208 1.00 13.31 H new ATOM 0 HB VAL A 105 11.209 -0.871 3.714 1.00 14.33 H new ATOM 0 HG11 VAL A 105 12.162 -3.022 3.086 1.00 73.05 H new ATOM 0 HG12 VAL A 105 10.836 -3.175 4.262 1.00 73.05 H new ATOM 0 HG13 VAL A 105 10.553 -3.558 2.548 1.00 73.05 H new ATOM 0 HG21 VAL A 105 12.231 -1.259 1.541 1.00 33.44 H new ATOM 0 HG22 VAL A 105 10.633 -1.682 0.881 1.00 33.44 H new ATOM 0 HG23 VAL A 105 10.937 -0.038 1.488 1.00 33.44 H new ATOM 840 N GLU A 106 9.082 0.738 4.394 1.00 31.03 N ATOM 841 CA GLU A 106 9.000 1.629 5.529 1.00 23.50 C ATOM 842 C GLU A 106 7.681 1.429 6.251 1.00 64.44 C ATOM 843 O GLU A 106 7.612 1.427 7.471 1.00 53.14 O ATOM 844 CB GLU A 106 9.093 3.084 5.054 1.00 42.44 C ATOM 845 CG GLU A 106 10.240 3.374 4.087 1.00 24.34 C ATOM 846 CD GLU A 106 11.611 3.262 4.705 1.00 25.54 C ATOM 847 OE1 GLU A 106 11.804 2.433 5.635 1.00 31.04 O ATOM 848 OE2 GLU A 106 12.529 3.971 4.233 1.00 14.35 O ATOM 0 H GLU A 106 9.175 1.223 3.501 1.00 31.03 H new ATOM 0 HA GLU A 106 9.824 1.409 6.208 1.00 23.50 H new ATOM 0 HB2 GLU A 106 8.154 3.354 4.572 1.00 42.44 H new ATOM 0 HB3 GLU A 106 9.200 3.729 5.926 1.00 42.44 H new ATOM 0 HG2 GLU A 106 10.175 2.684 3.246 1.00 24.34 H new ATOM 0 HG3 GLU A 106 10.116 4.379 3.684 1.00 24.34 H new ATOM 855 N CYS A 107 6.641 1.246 5.477 1.00 62.32 N ATOM 856 CA CYS A 107 5.308 1.082 6.058 1.00 40.40 C ATOM 857 C CYS A 107 4.857 -0.379 5.994 1.00 60.32 C ATOM 858 O CYS A 107 3.918 -0.781 6.672 1.00 64.33 O ATOM 859 CB CYS A 107 4.331 1.940 5.267 1.00 12.31 C ATOM 860 SG CYS A 107 4.946 3.641 4.914 1.00 34.11 S ATOM 0 H CYS A 107 6.676 1.205 4.458 1.00 62.32 H new ATOM 0 HA CYS A 107 5.336 1.386 7.104 1.00 40.40 H new ATOM 0 HB2 CYS A 107 4.107 1.442 4.323 1.00 12.31 H new ATOM 0 HB3 CYS A 107 3.394 2.010 5.820 1.00 12.31 H new ATOM 0 HG CYS A 107 5.206 3.754 3.645 1.00 34.11 H new ATOM 865 N ASN A 108 5.574 -1.149 5.203 1.00 5.42 N ATOM 866 CA ASN A 108 5.207 -2.502 4.816 1.00 32.51 C ATOM 867 C ASN A 108 3.794 -2.590 4.277 1.00 34.50 C ATOM 868 O ASN A 108 2.947 -3.349 4.772 1.00 43.34 O ATOM 869 CB ASN A 108 5.516 -3.552 5.868 1.00 61.12 C ATOM 870 CG ASN A 108 6.934 -4.084 5.794 1.00 12.01 C ATOM 871 OD1 ASN A 108 7.524 -4.425 6.803 1.00 21.35 O ATOM 872 ND2 ASN A 108 7.468 -4.233 4.605 1.00 51.20 N ATOM 0 H ASN A 108 6.458 -0.844 4.796 1.00 5.42 H new ATOM 0 HA ASN A 108 5.865 -2.751 3.984 1.00 32.51 H new ATOM 0 HB2 ASN A 108 5.348 -3.125 6.857 1.00 61.12 H new ATOM 0 HB3 ASN A 108 4.819 -4.382 5.757 1.00 61.12 H new ATOM 0 HD21 ASN A 108 8.397 -4.642 4.511 1.00 51.20 H new ATOM 0 HD22 ASN A 108 6.954 -3.939 3.775 1.00 51.20 H new ATOM 879 N PHE A 109 3.549 -1.810 3.236 1.00 23.25 N ATOM 880 CA PHE A 109 2.250 -1.770 2.619 1.00 61.44 C ATOM 881 C PHE A 109 2.405 -2.051 1.144 1.00 45.33 C ATOM 882 O PHE A 109 3.191 -1.378 0.449 1.00 64.45 O ATOM 883 CB PHE A 109 1.501 -0.428 2.898 1.00 40.01 C ATOM 884 CG PHE A 109 1.458 0.614 1.782 1.00 55.25 C ATOM 885 CD1 PHE A 109 0.426 0.599 0.870 1.00 10.03 C ATOM 886 CD2 PHE A 109 2.413 1.606 1.669 1.00 10.22 C ATOM 887 CE1 PHE A 109 0.338 1.556 -0.132 1.00 74.43 C ATOM 888 CE2 PHE A 109 2.329 2.569 0.662 1.00 32.02 C ATOM 889 CZ PHE A 109 1.285 2.545 -0.236 1.00 32.32 C ATOM 0 H PHE A 109 4.241 -1.197 2.806 1.00 23.25 H new ATOM 0 HA PHE A 109 1.620 -2.542 3.061 1.00 61.44 H new ATOM 0 HB2 PHE A 109 0.473 -0.669 3.169 1.00 40.01 H new ATOM 0 HB3 PHE A 109 1.961 0.036 3.771 1.00 40.01 H new ATOM 0 HD1 PHE A 109 -0.328 -0.171 0.935 1.00 10.03 H new ATOM 0 HD2 PHE A 109 3.235 1.637 2.369 1.00 10.22 H new ATOM 0 HE1 PHE A 109 -0.481 1.522 -0.835 1.00 74.43 H new ATOM 0 HE2 PHE A 109 3.086 3.336 0.587 1.00 32.02 H new ATOM 0 HZ PHE A 109 1.212 3.294 -1.011 1.00 32.32 H new ATOM 899 N LEU A 110 1.723 -3.052 0.695 1.00 22.44 N ATOM 900 CA LEU A 110 1.768 -3.485 -0.675 1.00 5.44 C ATOM 901 C LEU A 110 0.641 -2.855 -1.365 1.00 60.41 C ATOM 902 O LEU A 110 -0.469 -3.003 -0.920 1.00 42.22 O ATOM 903 CB LEU A 110 1.615 -4.998 -0.783 1.00 34.12 C ATOM 904 CG LEU A 110 2.872 -5.820 -0.968 1.00 21.34 C ATOM 905 CD1 LEU A 110 2.516 -7.274 -0.848 1.00 2.23 C ATOM 906 CD2 LEU A 110 3.441 -5.574 -2.352 1.00 65.33 C ATOM 0 H LEU A 110 1.101 -3.610 1.280 1.00 22.44 H new ATOM 0 HA LEU A 110 2.727 -3.207 -1.112 1.00 5.44 H new ATOM 0 HB2 LEU A 110 1.114 -5.350 0.119 1.00 34.12 H new ATOM 0 HB3 LEU A 110 0.950 -5.209 -1.620 1.00 34.12 H new ATOM 0 HG LEU A 110 3.607 -5.541 -0.213 1.00 21.34 H new ATOM 0 HD11 LEU A 110 3.412 -7.880 -0.979 1.00 2.23 H new ATOM 0 HD12 LEU A 110 2.090 -7.464 0.137 1.00 2.23 H new ATOM 0 HD13 LEU A 110 1.787 -7.534 -1.615 1.00 2.23 H new ATOM 0 HD21 LEU A 110 4.346 -6.167 -2.484 1.00 65.33 H new ATOM 0 HD22 LEU A 110 2.706 -5.862 -3.104 1.00 65.33 H new ATOM 0 HD23 LEU A 110 3.680 -4.517 -2.464 1.00 65.33 H new ATOM 918 N THR A 111 0.898 -2.208 -2.437 1.00 62.22 N ATOM 919 CA THR A 111 -0.119 -1.471 -3.110 1.00 11.23 C ATOM 920 C THR A 111 -0.211 -1.874 -4.576 1.00 40.23 C ATOM 921 O THR A 111 0.700 -2.518 -5.109 1.00 15.34 O ATOM 922 CB THR A 111 0.142 0.028 -2.938 1.00 14.11 C ATOM 923 OG1 THR A 111 -0.884 0.832 -3.538 1.00 23.02 O ATOM 924 CG2 THR A 111 1.523 0.415 -3.449 1.00 20.22 C ATOM 0 H THR A 111 1.816 -2.169 -2.879 1.00 62.22 H new ATOM 0 HA THR A 111 -1.087 -1.703 -2.666 1.00 11.23 H new ATOM 0 HB THR A 111 0.115 0.231 -1.867 1.00 14.11 H new ATOM 0 HG1 THR A 111 -1.760 0.428 -3.364 1.00 23.02 H new ATOM 0 HG21 THR A 111 1.675 1.486 -3.312 1.00 20.22 H new ATOM 0 HG22 THR A 111 2.283 -0.134 -2.893 1.00 20.22 H new ATOM 0 HG23 THR A 111 1.601 0.171 -4.508 1.00 20.22 H new ATOM 932 N LYS A 112 -1.322 -1.531 -5.202 1.00 31.13 N ATOM 933 CA LYS A 112 -1.614 -1.915 -6.569 1.00 11.54 C ATOM 934 C LYS A 112 -0.722 -1.226 -7.590 1.00 22.45 C ATOM 935 O LYS A 112 -0.045 -1.888 -8.370 1.00 30.51 O ATOM 936 CB LYS A 112 -3.084 -1.655 -6.884 1.00 24.01 C ATOM 937 CG LYS A 112 -4.012 -2.404 -5.963 1.00 61.13 C ATOM 938 CD LYS A 112 -5.462 -2.182 -6.290 1.00 74.10 C ATOM 939 CE LYS A 112 -6.329 -3.013 -5.364 1.00 51.53 C ATOM 940 NZ LYS A 112 -7.754 -2.849 -5.655 1.00 14.14 N ATOM 0 H LYS A 112 -2.056 -0.971 -4.769 1.00 31.13 H new ATOM 0 HA LYS A 112 -1.403 -2.982 -6.647 1.00 11.54 H new ATOM 0 HB2 LYS A 112 -3.285 -0.587 -6.807 1.00 24.01 H new ATOM 0 HB3 LYS A 112 -3.288 -1.945 -7.915 1.00 24.01 H new ATOM 0 HG2 LYS A 112 -3.791 -3.470 -6.020 1.00 61.13 H new ATOM 0 HG3 LYS A 112 -3.825 -2.094 -4.935 1.00 61.13 H new ATOM 0 HD2 LYS A 112 -5.710 -1.126 -6.186 1.00 74.10 H new ATOM 0 HD3 LYS A 112 -5.656 -2.454 -7.327 1.00 74.10 H new ATOM 0 HE2 LYS A 112 -6.058 -4.064 -5.460 1.00 51.53 H new ATOM 0 HE3 LYS A 112 -6.134 -2.726 -4.331 1.00 51.53 H new ATOM 0 HZ1 LYS A 112 -8.288 -3.634 -5.231 1.00 14.14 H new ATOM 0 HZ2 LYS A 112 -8.088 -1.948 -5.257 1.00 14.14 H new ATOM 0 HZ3 LYS A 112 -7.900 -2.848 -6.685 1.00 14.14 H new ATOM 954 N ARG A 113 -0.701 0.080 -7.585 1.00 72.14 N ATOM 955 CA ARG A 113 0.068 0.781 -8.591 1.00 10.44 C ATOM 956 C ARG A 113 1.382 1.295 -8.017 1.00 22.14 C ATOM 957 O ARG A 113 1.427 1.746 -6.858 1.00 43.34 O ATOM 958 CB ARG A 113 -0.742 1.924 -9.271 1.00 22.45 C ATOM 959 CG ARG A 113 -0.839 3.258 -8.509 1.00 0.22 C ATOM 960 CD ARG A 113 -1.529 3.158 -7.171 1.00 21.12 C ATOM 961 NE ARG A 113 -2.913 2.705 -7.265 1.00 43.11 N ATOM 962 CZ ARG A 113 -3.508 1.980 -6.325 1.00 13.33 C ATOM 963 NH1 ARG A 113 -2.825 1.600 -5.284 1.00 2.01 N ATOM 964 NH2 ARG A 113 -4.787 1.650 -6.416 1.00 63.24 N ATOM 0 H ARG A 113 -1.192 0.673 -6.916 1.00 72.14 H new ATOM 0 HA ARG A 113 0.300 0.058 -9.373 1.00 10.44 H new ATOM 0 HB2 ARG A 113 -0.296 2.122 -10.246 1.00 22.45 H new ATOM 0 HB3 ARG A 113 -1.754 1.562 -9.451 1.00 22.45 H new ATOM 0 HG2 ARG A 113 0.166 3.651 -8.358 1.00 0.22 H new ATOM 0 HG3 ARG A 113 -1.374 3.979 -9.128 1.00 0.22 H new ATOM 0 HD2 ARG A 113 -0.972 2.471 -6.534 1.00 21.12 H new ATOM 0 HD3 ARG A 113 -1.506 4.133 -6.685 1.00 21.12 H new ATOM 0 HE ARG A 113 -3.450 2.958 -8.094 1.00 43.11 H new ATOM 0 HH11 ARG A 113 -1.842 1.859 -5.196 1.00 2.01 H new ATOM 0 HH12 ARG A 113 -3.272 1.043 -4.556 1.00 2.01 H new ATOM 0 HH21 ARG A 113 -5.336 1.953 -7.220 1.00 63.24 H new ATOM 0 HH22 ARG A 113 -5.223 1.092 -5.682 1.00 63.24 H new ATOM 978 N TYR A 114 2.433 1.248 -8.828 1.00 1.44 N ATOM 979 CA TYR A 114 3.783 1.689 -8.436 1.00 23.12 C ATOM 980 C TYR A 114 3.781 3.167 -8.032 1.00 21.20 C ATOM 981 O TYR A 114 4.614 3.621 -7.237 1.00 14.13 O ATOM 982 CB TYR A 114 4.794 1.473 -9.587 1.00 73.41 C ATOM 983 CG TYR A 114 4.583 2.381 -10.793 1.00 1.52 C ATOM 984 CD1 TYR A 114 3.625 2.096 -11.748 1.00 74.51 C ATOM 985 CD2 TYR A 114 5.347 3.537 -10.961 1.00 53.20 C ATOM 986 CE1 TYR A 114 3.427 2.918 -12.828 1.00 62.35 C ATOM 987 CE2 TYR A 114 5.152 4.366 -12.043 1.00 24.23 C ATOM 988 CZ TYR A 114 4.190 4.050 -12.974 1.00 25.40 C ATOM 989 OH TYR A 114 4.000 4.868 -14.071 1.00 75.01 O ATOM 0 H TYR A 114 2.380 0.901 -9.786 1.00 1.44 H new ATOM 0 HA TYR A 114 4.086 1.086 -7.580 1.00 23.12 H new ATOM 0 HB2 TYR A 114 5.802 1.629 -9.202 1.00 73.41 H new ATOM 0 HB3 TYR A 114 4.735 0.435 -9.915 1.00 73.41 H new ATOM 0 HD1 TYR A 114 3.020 1.208 -11.642 1.00 74.51 H new ATOM 0 HD2 TYR A 114 6.103 3.785 -10.231 1.00 53.20 H new ATOM 0 HE1 TYR A 114 2.673 2.675 -13.562 1.00 62.35 H new ATOM 0 HE2 TYR A 114 5.750 5.258 -12.160 1.00 24.23 H new ATOM 0 HH TYR A 114 4.618 5.627 -14.024 1.00 75.01 H new ATOM 999 N ASP A 115 2.830 3.900 -8.586 1.00 14.24 N ATOM 1000 CA ASP A 115 2.673 5.323 -8.352 1.00 61.15 C ATOM 1001 C ASP A 115 2.537 5.622 -6.874 1.00 52.03 C ATOM 1002 O ASP A 115 3.131 6.553 -6.403 1.00 54.23 O ATOM 1003 CB ASP A 115 1.454 5.881 -9.098 1.00 73.51 C ATOM 1004 CG ASP A 115 1.424 5.542 -10.576 1.00 10.32 C ATOM 1005 OD1 ASP A 115 1.065 4.399 -10.907 1.00 72.23 O ATOM 1006 OD2 ASP A 115 1.737 6.417 -11.421 1.00 24.01 O ATOM 0 H ASP A 115 2.133 3.514 -9.223 1.00 14.24 H new ATOM 0 HA ASP A 115 3.571 5.809 -8.732 1.00 61.15 H new ATOM 0 HB2 ASP A 115 0.548 5.497 -8.630 1.00 73.51 H new ATOM 0 HB3 ASP A 115 1.437 6.965 -8.984 1.00 73.51 H new ATOM 1011 N ALA A 116 1.839 4.759 -6.124 1.00 44.23 N ATOM 1012 CA ALA A 116 1.580 5.013 -4.696 1.00 10.20 C ATOM 1013 C ALA A 116 2.880 5.030 -3.880 1.00 20.52 C ATOM 1014 O ALA A 116 2.945 5.622 -2.812 1.00 10.44 O ATOM 1015 CB ALA A 116 0.595 3.992 -4.141 1.00 31.12 C ATOM 0 H ALA A 116 1.446 3.886 -6.476 1.00 44.23 H new ATOM 0 HA ALA A 116 1.132 6.003 -4.609 1.00 10.20 H new ATOM 0 HB1 ALA A 116 0.416 4.196 -3.085 1.00 31.12 H new ATOM 0 HB2 ALA A 116 -0.345 4.059 -4.688 1.00 31.12 H new ATOM 0 HB3 ALA A 116 1.009 2.990 -4.252 1.00 31.12 H new ATOM 1021 N LEU A 117 3.898 4.373 -4.397 1.00 35.10 N ATOM 1022 CA LEU A 117 5.219 4.355 -3.771 1.00 10.11 C ATOM 1023 C LEU A 117 6.004 5.596 -4.162 1.00 1.44 C ATOM 1024 O LEU A 117 6.833 6.087 -3.411 1.00 61.24 O ATOM 1025 CB LEU A 117 6.028 3.136 -4.195 1.00 62.13 C ATOM 1026 CG LEU A 117 5.434 1.758 -3.915 1.00 21.02 C ATOM 1027 CD1 LEU A 117 4.881 1.658 -2.507 1.00 31.33 C ATOM 1028 CD2 LEU A 117 4.403 1.400 -4.941 1.00 32.10 C ATOM 0 H LEU A 117 3.841 3.835 -5.262 1.00 35.10 H new ATOM 0 HA LEU A 117 5.058 4.323 -2.693 1.00 10.11 H new ATOM 0 HB2 LEU A 117 6.211 3.211 -5.267 1.00 62.13 H new ATOM 0 HB3 LEU A 117 6.999 3.189 -3.702 1.00 62.13 H new ATOM 0 HG LEU A 117 6.242 1.030 -3.989 1.00 21.02 H new ATOM 0 HD11 LEU A 117 4.468 0.662 -2.348 1.00 31.33 H new ATOM 0 HD12 LEU A 117 5.681 1.838 -1.788 1.00 31.33 H new ATOM 0 HD13 LEU A 117 4.096 2.402 -2.371 1.00 31.33 H new ATOM 0 HD21 LEU A 117 3.995 0.414 -4.719 1.00 32.10 H new ATOM 0 HD22 LEU A 117 3.600 2.137 -4.923 1.00 32.10 H new ATOM 0 HD23 LEU A 117 4.862 1.388 -5.930 1.00 32.10 H new ATOM 1040 N SER A 118 5.735 6.079 -5.338 1.00 11.42 N ATOM 1041 CA SER A 118 6.392 7.260 -5.882 1.00 63.33 C ATOM 1042 C SER A 118 5.864 8.512 -5.219 1.00 1.35 C ATOM 1043 O SER A 118 6.612 9.416 -4.878 1.00 33.21 O ATOM 1044 CB SER A 118 6.112 7.326 -7.367 1.00 42.34 C ATOM 1045 OG SER A 118 6.924 6.434 -8.126 1.00 74.50 O ATOM 0 H SER A 118 5.045 5.667 -5.966 1.00 11.42 H new ATOM 0 HA SER A 118 7.464 7.194 -5.697 1.00 63.33 H new ATOM 0 HB2 SER A 118 5.062 7.093 -7.544 1.00 42.34 H new ATOM 0 HB3 SER A 118 6.276 8.345 -7.717 1.00 42.34 H new ATOM 0 HG SER A 118 6.700 6.517 -9.077 1.00 74.50 H new ATOM 1051 N GLU A 119 4.575 8.571 -5.070 1.00 42.43 N ATOM 1052 CA GLU A 119 3.946 9.694 -4.414 1.00 52.44 C ATOM 1053 C GLU A 119 4.120 9.576 -2.923 1.00 30.12 C ATOM 1054 O GLU A 119 3.918 10.518 -2.202 1.00 13.13 O ATOM 1055 CB GLU A 119 2.480 9.788 -4.722 1.00 54.20 C ATOM 1056 CG GLU A 119 2.105 9.255 -6.062 1.00 65.12 C ATOM 1057 CD GLU A 119 0.687 9.570 -6.430 1.00 30.40 C ATOM 1058 OE1 GLU A 119 0.421 10.624 -7.033 1.00 41.11 O ATOM 1059 OE2 GLU A 119 -0.202 8.755 -6.141 1.00 63.05 O ATOM 0 H GLU A 119 3.928 7.852 -5.394 1.00 42.43 H new ATOM 0 HA GLU A 119 4.430 10.595 -4.790 1.00 52.44 H new ATOM 0 HB2 GLU A 119 1.924 9.245 -3.958 1.00 54.20 H new ATOM 0 HB3 GLU A 119 2.172 10.832 -4.659 1.00 54.20 H new ATOM 0 HG2 GLU A 119 2.773 9.672 -6.815 1.00 65.12 H new ATOM 0 HG3 GLU A 119 2.248 8.174 -6.072 1.00 65.12 H new ATOM 1066 N HIS A 120 4.406 8.382 -2.473 1.00 15.31 N ATOM 1067 CA HIS A 120 4.554 8.077 -1.055 1.00 53.31 C ATOM 1068 C HIS A 120 5.449 9.100 -0.339 1.00 63.32 C ATOM 1069 O HIS A 120 5.023 9.730 0.538 1.00 22.21 O ATOM 1070 CB HIS A 120 5.116 6.702 -0.888 1.00 42.55 C ATOM 1071 CG HIS A 120 4.811 6.081 0.399 1.00 34.12 C ATOM 1072 ND1 HIS A 120 3.549 5.698 0.780 1.00 34.34 N ATOM 1073 CD2 HIS A 120 5.610 5.786 1.402 1.00 62.32 C ATOM 1074 CE1 HIS A 120 3.617 5.192 1.997 1.00 33.35 C ATOM 1075 NE2 HIS A 120 4.868 5.212 2.439 1.00 34.10 N ATOM 0 H HIS A 120 4.547 7.576 -3.082 1.00 15.31 H new ATOM 0 HA HIS A 120 3.565 8.129 -0.599 1.00 53.31 H new ATOM 0 HB2 HIS A 120 4.732 6.066 -1.685 1.00 42.55 H new ATOM 0 HB3 HIS A 120 6.198 6.747 -1.009 1.00 42.55 H new ATOM 0 HD1 HIS A 120 2.703 5.789 0.218 1.00 34.34 H new ATOM 0 HD2 HIS A 120 6.676 5.960 1.421 1.00 62.32 H new ATOM 0 HE1 HIS A 120 2.773 4.815 2.555 1.00 33.35 H new ATOM 1083 N ASN A 121 6.651 9.271 -0.763 1.00 53.41 N ATOM 1084 CA ASN A 121 7.576 10.287 -0.188 1.00 52.32 C ATOM 1085 C ASN A 121 7.140 11.716 -0.522 1.00 41.33 C ATOM 1086 O ASN A 121 7.642 12.683 0.014 1.00 54.31 O ATOM 1087 CB ASN A 121 9.030 10.006 -0.554 1.00 31.11 C ATOM 1088 CG ASN A 121 9.292 9.877 -2.026 1.00 41.13 C ATOM 1089 OD1 ASN A 121 8.424 9.563 -2.807 1.00 34.14 O ATOM 1090 ND2 ASN A 121 10.498 10.003 -2.387 1.00 51.43 N ATOM 0 H ASN A 121 7.059 8.726 -1.522 1.00 53.41 H new ATOM 0 HA ASN A 121 7.515 10.201 0.897 1.00 52.32 H new ATOM 0 HB2 ASN A 121 9.652 10.808 -0.157 1.00 31.11 H new ATOM 0 HB3 ASN A 121 9.343 9.086 -0.061 1.00 31.11 H new ATOM 0 HD21 ASN A 121 10.759 9.839 -3.359 1.00 51.43 H new ATOM 0 HD22 ASN A 121 11.209 10.269 -1.706 1.00 51.43 H new ATOM 1097 N LEU A 122 6.287 11.842 -1.470 1.00 54.41 N ATOM 1098 CA LEU A 122 5.738 13.125 -1.834 1.00 52.03 C ATOM 1099 C LEU A 122 4.680 13.562 -0.796 1.00 75.32 C ATOM 1100 O LEU A 122 4.751 14.657 -0.239 1.00 62.33 O ATOM 1101 CB LEU A 122 5.159 13.031 -3.274 1.00 3.25 C ATOM 1102 CG LEU A 122 4.054 14.009 -3.682 1.00 23.51 C ATOM 1103 CD1 LEU A 122 4.517 15.458 -3.589 1.00 10.53 C ATOM 1104 CD2 LEU A 122 3.580 13.701 -5.093 1.00 71.23 C ATOM 0 H LEU A 122 5.938 11.062 -2.028 1.00 54.41 H new ATOM 0 HA LEU A 122 6.514 13.890 -1.832 1.00 52.03 H new ATOM 0 HB2 LEU A 122 5.986 13.155 -3.973 1.00 3.25 H new ATOM 0 HB3 LEU A 122 4.775 12.020 -3.411 1.00 3.25 H new ATOM 0 HG LEU A 122 3.226 13.882 -2.985 1.00 23.51 H new ATOM 0 HD11 LEU A 122 3.704 16.120 -3.887 1.00 10.53 H new ATOM 0 HD12 LEU A 122 4.809 15.681 -2.563 1.00 10.53 H new ATOM 0 HD13 LEU A 122 5.370 15.611 -4.251 1.00 10.53 H new ATOM 0 HD21 LEU A 122 2.794 14.402 -5.374 1.00 71.23 H new ATOM 0 HD22 LEU A 122 4.416 13.796 -5.786 1.00 71.23 H new ATOM 0 HD23 LEU A 122 3.190 12.684 -5.132 1.00 71.23 H new ATOM 1116 N LYS A 123 3.727 12.692 -0.535 1.00 21.13 N ATOM 1117 CA LYS A 123 2.605 13.012 0.348 1.00 72.11 C ATOM 1118 C LYS A 123 2.654 12.331 1.715 1.00 0.31 C ATOM 1119 O LYS A 123 2.241 12.896 2.724 1.00 41.25 O ATOM 1120 CB LYS A 123 1.259 12.781 -0.363 1.00 43.04 C ATOM 1121 CG LYS A 123 1.301 11.788 -1.509 1.00 42.14 C ATOM 1122 CD LYS A 123 0.015 11.775 -2.328 1.00 4.10 C ATOM 1123 CE LYS A 123 -1.220 11.447 -1.491 1.00 24.41 C ATOM 1124 NZ LYS A 123 -2.442 11.363 -2.313 1.00 21.12 N ATOM 0 H LYS A 123 3.700 11.748 -0.921 1.00 21.13 H new ATOM 0 HA LYS A 123 2.703 14.074 0.571 1.00 72.11 H new ATOM 0 HB2 LYS A 123 0.532 12.434 0.372 1.00 43.04 H new ATOM 0 HB3 LYS A 123 0.897 13.736 -0.743 1.00 43.04 H new ATOM 0 HG2 LYS A 123 2.140 12.029 -2.162 1.00 42.14 H new ATOM 0 HG3 LYS A 123 1.483 10.789 -1.112 1.00 42.14 H new ATOM 0 HD2 LYS A 123 -0.120 12.749 -2.799 1.00 4.10 H new ATOM 0 HD3 LYS A 123 0.109 11.043 -3.130 1.00 4.10 H new ATOM 0 HE2 LYS A 123 -1.066 10.500 -0.974 1.00 24.41 H new ATOM 0 HE3 LYS A 123 -1.351 12.211 -0.725 1.00 24.41 H new ATOM 0 HZ1 LYS A 123 -3.163 10.809 -1.808 1.00 21.12 H new ATOM 0 HZ2 LYS A 123 -2.805 12.321 -2.494 1.00 21.12 H new ATOM 0 HZ3 LYS A 123 -2.221 10.900 -3.217 1.00 21.12 H new ATOM 1138 N TYR A 124 3.119 11.135 1.728 1.00 41.14 N ATOM 1139 CA TYR A 124 3.167 10.294 2.938 1.00 12.25 C ATOM 1140 C TYR A 124 4.455 10.526 3.719 1.00 70.53 C ATOM 1141 O TYR A 124 4.428 10.760 4.929 1.00 72.54 O ATOM 1142 CB TYR A 124 3.086 8.815 2.563 1.00 53.45 C ATOM 1143 CG TYR A 124 1.823 8.378 1.868 1.00 45.53 C ATOM 1144 CD1 TYR A 124 1.431 8.941 0.666 1.00 3.21 C ATOM 1145 CD2 TYR A 124 1.030 7.395 2.408 1.00 65.54 C ATOM 1146 CE1 TYR A 124 0.299 8.541 0.033 1.00 24.31 C ATOM 1147 CE2 TYR A 124 -0.108 6.991 1.777 1.00 61.21 C ATOM 1148 CZ TYR A 124 -0.467 7.565 0.590 1.00 32.12 C ATOM 1149 OH TYR A 124 -1.611 7.172 -0.024 1.00 61.32 O ATOM 0 H TYR A 124 3.492 10.675 0.897 1.00 41.14 H new ATOM 0 HA TYR A 124 2.315 10.569 3.559 1.00 12.25 H new ATOM 0 HB2 TYR A 124 3.932 8.577 1.919 1.00 53.45 H new ATOM 0 HB3 TYR A 124 3.201 8.224 3.471 1.00 53.45 H new ATOM 0 HD1 TYR A 124 2.039 9.715 0.222 1.00 3.21 H new ATOM 0 HD2 TYR A 124 1.312 6.937 3.344 1.00 65.54 H new ATOM 0 HE1 TYR A 124 0.009 8.993 -0.904 1.00 24.31 H new ATOM 0 HE2 TYR A 124 -0.725 6.219 2.214 1.00 61.21 H new ATOM 0 HH TYR A 124 -2.262 6.885 0.650 1.00 61.32 H new ATOM 1159 N HIS A 125 5.596 10.408 3.040 1.00 64.12 N ATOM 1160 CA HIS A 125 6.900 10.688 3.693 1.00 15.21 C ATOM 1161 C HIS A 125 7.566 11.920 3.051 1.00 61.22 C ATOM 1162 O HIS A 125 8.537 11.771 2.364 1.00 12.01 O ATOM 1163 CB HIS A 125 7.883 9.490 3.571 1.00 54.52 C ATOM 1164 CG HIS A 125 7.508 8.186 4.223 1.00 71.35 C ATOM 1165 ND1 HIS A 125 8.224 7.599 5.253 1.00 52.24 N ATOM 1166 CD2 HIS A 125 6.592 7.287 3.859 1.00 54.20 C ATOM 1167 CE1 HIS A 125 7.734 6.376 5.463 1.00 21.45 C ATOM 1168 NE2 HIS A 125 6.719 6.114 4.620 1.00 34.35 N ATOM 0 H HIS A 125 5.658 10.128 2.061 1.00 64.12 H new ATOM 0 HA HIS A 125 6.690 10.868 4.747 1.00 15.21 H new ATOM 0 HB2 HIS A 125 8.041 9.297 2.510 1.00 54.52 H new ATOM 0 HB3 HIS A 125 8.842 9.804 3.984 1.00 54.52 H new ATOM 0 HD1 HIS A 125 8.995 8.029 5.764 1.00 52.24 H new ATOM 0 HD2 HIS A 125 5.854 7.440 3.085 1.00 54.20 H new ATOM 0 HE1 HIS A 125 8.103 5.688 6.210 1.00 21.45 H new ATOM 1176 N PRO A 126 7.038 13.125 3.251 1.00 32.44 N ATOM 1177 CA PRO A 126 7.552 14.339 2.604 1.00 52.12 C ATOM 1178 C PRO A 126 8.869 14.876 3.186 1.00 52.12 C ATOM 1179 O PRO A 126 9.140 14.789 4.408 1.00 60.23 O ATOM 1180 CB PRO A 126 6.430 15.339 2.818 1.00 41.21 C ATOM 1181 CG PRO A 126 5.816 14.900 4.100 1.00 33.14 C ATOM 1182 CD PRO A 126 5.896 13.417 4.099 1.00 24.34 C ATOM 0 HA PRO A 126 7.804 14.142 1.562 1.00 52.12 H new ATOM 0 HB2 PRO A 126 6.808 16.359 2.882 1.00 41.21 H new ATOM 0 HB3 PRO A 126 5.710 15.317 2.000 1.00 41.21 H new ATOM 0 HG2 PRO A 126 6.349 15.320 4.953 1.00 33.14 H new ATOM 0 HG3 PRO A 126 4.782 15.236 4.174 1.00 33.14 H new ATOM 0 HD2 PRO A 126 6.037 13.025 5.106 1.00 24.34 H new ATOM 0 HD3 PRO A 126 4.983 12.969 3.707 1.00 24.34 H new ATOM 1190 N GLY A 127 9.668 15.446 2.310 1.00 75.34 N ATOM 1191 CA GLY A 127 10.932 16.029 2.691 1.00 34.52 C ATOM 1192 C GLY A 127 11.921 15.990 1.557 1.00 61.13 C ATOM 1193 O GLY A 127 12.570 16.991 1.242 1.00 42.32 O ATOM 0 H GLY A 127 9.458 15.517 1.314 1.00 75.34 H new ATOM 0 HA2 GLY A 127 10.778 17.061 3.005 1.00 34.52 H new ATOM 0 HA3 GLY A 127 11.338 15.492 3.548 1.00 34.52 H new ATOM 1197 N GLU A 128 12.006 14.850 0.923 1.00 15.43 N ATOM 1198 CA GLU A 128 12.920 14.626 -0.172 1.00 11.51 C ATOM 1199 C GLU A 128 12.333 13.571 -1.062 1.00 21.41 C ATOM 1200 O GLU A 128 11.279 13.004 -0.736 1.00 3.22 O ATOM 1201 CB GLU A 128 14.313 14.222 0.374 1.00 62.01 C ATOM 1202 CG GLU A 128 14.327 12.974 1.258 1.00 3.01 C ATOM 1203 CD GLU A 128 14.738 11.718 0.534 1.00 71.21 C ATOM 1204 OE1 GLU A 128 13.894 11.056 -0.069 1.00 13.52 O ATOM 1205 OE2 GLU A 128 15.931 11.394 0.542 1.00 65.43 O ATOM 0 H GLU A 128 11.435 14.037 1.154 1.00 15.43 H new ATOM 0 HA GLU A 128 13.061 15.537 -0.754 1.00 11.51 H new ATOM 0 HB2 GLU A 128 14.983 14.058 -0.470 1.00 62.01 H new ATOM 0 HB3 GLU A 128 14.718 15.057 0.945 1.00 62.01 H new ATOM 0 HG2 GLU A 128 15.008 13.140 2.093 1.00 3.01 H new ATOM 0 HG3 GLU A 128 13.333 12.829 1.681 1.00 3.01 H new ATOM 1212 N GLU A 129 12.948 13.310 -2.172 1.00 32.13 N ATOM 1213 CA GLU A 129 12.448 12.284 -3.027 1.00 23.21 C ATOM 1214 C GLU A 129 13.571 11.379 -3.451 1.00 13.13 C ATOM 1215 O GLU A 129 14.250 11.634 -4.449 1.00 23.02 O ATOM 1216 CB GLU A 129 11.786 12.889 -4.250 1.00 43.03 C ATOM 1217 CG GLU A 129 11.085 11.870 -5.131 1.00 11.01 C ATOM 1218 CD GLU A 129 10.416 12.480 -6.328 1.00 41.33 C ATOM 1219 OE1 GLU A 129 9.480 13.293 -6.156 1.00 51.42 O ATOM 1220 OE2 GLU A 129 10.802 12.156 -7.463 1.00 35.11 O ATOM 0 H GLU A 129 13.787 13.787 -2.504 1.00 32.13 H new ATOM 0 HA GLU A 129 11.706 11.704 -2.478 1.00 23.21 H new ATOM 0 HB2 GLU A 129 11.062 13.637 -3.928 1.00 43.03 H new ATOM 0 HB3 GLU A 129 12.540 13.409 -4.841 1.00 43.03 H new ATOM 0 HG2 GLU A 129 11.811 11.130 -5.467 1.00 11.01 H new ATOM 0 HG3 GLU A 129 10.340 11.339 -4.538 1.00 11.01 H new ATOM 1227 N ASN A 130 13.781 10.333 -2.688 1.00 64.50 N ATOM 1228 CA ASN A 130 14.822 9.363 -2.956 1.00 50.22 C ATOM 1229 C ASN A 130 14.397 8.011 -2.449 1.00 45.12 C ATOM 1230 O ASN A 130 14.555 7.690 -1.277 1.00 32.25 O ATOM 1231 CB ASN A 130 16.136 9.779 -2.257 1.00 32.12 C ATOM 1232 CG ASN A 130 16.684 11.093 -2.777 1.00 32.45 C ATOM 1233 OD1 ASN A 130 17.504 11.131 -3.704 1.00 43.03 O ATOM 1234 ND2 ASN A 130 16.227 12.171 -2.186 1.00 13.51 N ATOM 0 H ASN A 130 13.230 10.127 -1.855 1.00 64.50 H new ATOM 0 HA ASN A 130 14.989 9.318 -4.032 1.00 50.22 H new ATOM 0 HB2 ASN A 130 15.962 9.862 -1.184 1.00 32.12 H new ATOM 0 HB3 ASN A 130 16.882 8.997 -2.399 1.00 32.12 H new ATOM 0 HD21 ASN A 130 16.547 13.092 -2.486 1.00 13.51 H new ATOM 0 HD22 ASN A 130 15.552 12.089 -1.426 1.00 13.51 H new ATOM 1241 N PHE A 131 13.825 7.247 -3.313 1.00 65.32 N ATOM 1242 CA PHE A 131 13.411 5.909 -2.994 1.00 10.43 C ATOM 1243 C PHE A 131 14.326 4.911 -3.674 1.00 53.21 C ATOM 1244 O PHE A 131 14.769 5.132 -4.807 1.00 51.24 O ATOM 1245 CB PHE A 131 11.974 5.665 -3.423 1.00 72.31 C ATOM 1246 CG PHE A 131 10.959 5.638 -2.307 1.00 25.23 C ATOM 1247 CD1 PHE A 131 10.908 4.574 -1.436 1.00 64.32 C ATOM 1248 CD2 PHE A 131 10.033 6.643 -2.162 1.00 64.04 C ATOM 1249 CE1 PHE A 131 9.954 4.510 -0.445 1.00 51.12 C ATOM 1250 CE2 PHE A 131 9.067 6.581 -1.169 1.00 54.30 C ATOM 1251 CZ PHE A 131 9.029 5.510 -0.320 1.00 31.14 C ATOM 0 H PHE A 131 13.626 7.528 -4.273 1.00 65.32 H new ATOM 0 HA PHE A 131 13.472 5.782 -1.913 1.00 10.43 H new ATOM 0 HB2 PHE A 131 11.688 6.442 -4.132 1.00 72.31 H new ATOM 0 HB3 PHE A 131 11.928 4.715 -3.955 1.00 72.31 H new ATOM 0 HD1 PHE A 131 11.629 3.775 -1.531 1.00 64.32 H new ATOM 0 HD2 PHE A 131 10.058 7.492 -2.830 1.00 64.04 H new ATOM 0 HE1 PHE A 131 9.936 3.670 0.234 1.00 51.12 H new ATOM 0 HE2 PHE A 131 8.345 7.378 -1.066 1.00 54.30 H new ATOM 0 HZ PHE A 131 8.271 5.454 0.447 1.00 31.14 H new ATOM 1261 N LYS A 132 14.606 3.846 -2.997 1.00 4.30 N ATOM 1262 CA LYS A 132 15.469 2.810 -3.500 1.00 64.10 C ATOM 1263 C LYS A 132 14.619 1.561 -3.727 1.00 61.51 C ATOM 1264 O LYS A 132 13.527 1.469 -3.186 1.00 52.14 O ATOM 1265 CB LYS A 132 16.565 2.504 -2.467 1.00 51.25 C ATOM 1266 CG LYS A 132 16.228 1.351 -1.533 1.00 50.31 C ATOM 1267 CD LYS A 132 17.381 1.005 -0.646 1.00 52.13 C ATOM 1268 CE LYS A 132 17.242 -0.410 -0.117 1.00 30.01 C ATOM 1269 NZ LYS A 132 18.401 -0.815 0.708 1.00 55.41 N ATOM 0 H LYS A 132 14.239 3.662 -2.063 1.00 4.30 H new ATOM 0 HA LYS A 132 15.941 3.126 -4.430 1.00 64.10 H new ATOM 0 HB2 LYS A 132 17.492 2.274 -2.993 1.00 51.25 H new ATOM 0 HB3 LYS A 132 16.750 3.398 -1.872 1.00 51.25 H new ATOM 0 HG2 LYS A 132 15.366 1.617 -0.922 1.00 50.31 H new ATOM 0 HG3 LYS A 132 15.945 0.477 -2.120 1.00 50.31 H new ATOM 0 HD2 LYS A 132 18.315 1.102 -1.200 1.00 52.13 H new ATOM 0 HD3 LYS A 132 17.430 1.707 0.186 1.00 52.13 H new ATOM 0 HE2 LYS A 132 16.331 -0.486 0.477 1.00 30.01 H new ATOM 0 HE3 LYS A 132 17.135 -1.100 -0.954 1.00 30.01 H new ATOM 0 HZ1 LYS A 132 18.262 -1.788 1.048 1.00 55.41 H new ATOM 0 HZ2 LYS A 132 19.268 -0.768 0.135 1.00 55.41 H new ATOM 0 HZ3 LYS A 132 18.489 -0.174 1.522 1.00 55.41 H new ATOM 1283 N LEU A 133 15.119 0.595 -4.451 1.00 42.43 N ATOM 1284 CA LEU A 133 14.362 -0.606 -4.698 1.00 42.23 C ATOM 1285 C LEU A 133 15.124 -1.810 -4.194 1.00 33.44 C ATOM 1286 O LEU A 133 16.334 -1.923 -4.390 1.00 24.44 O ATOM 1287 CB LEU A 133 13.980 -0.799 -6.187 1.00 34.35 C ATOM 1288 CG LEU A 133 15.125 -0.900 -7.207 1.00 2.21 C ATOM 1289 CD1 LEU A 133 14.629 -1.567 -8.476 1.00 22.23 C ATOM 1290 CD2 LEU A 133 15.661 0.476 -7.557 1.00 2.51 C ATOM 0 H LEU A 133 16.044 0.615 -4.880 1.00 42.43 H new ATOM 0 HA LEU A 133 13.425 -0.501 -4.152 1.00 42.23 H new ATOM 0 HB2 LEU A 133 13.379 -1.705 -6.265 1.00 34.35 H new ATOM 0 HB3 LEU A 133 13.341 0.034 -6.481 1.00 34.35 H new ATOM 0 HG LEU A 133 15.923 -1.492 -6.759 1.00 2.21 H new ATOM 0 HD11 LEU A 133 15.446 -1.635 -9.194 1.00 22.23 H new ATOM 0 HD12 LEU A 133 14.266 -2.568 -8.243 1.00 22.23 H new ATOM 0 HD13 LEU A 133 13.818 -0.978 -8.904 1.00 22.23 H new ATOM 0 HD21 LEU A 133 16.470 0.378 -8.280 1.00 2.51 H new ATOM 0 HD22 LEU A 133 14.861 1.079 -7.987 1.00 2.51 H new ATOM 0 HD23 LEU A 133 16.037 0.960 -6.656 1.00 2.51 H new ATOM 1302 N THR A 134 14.441 -2.664 -3.517 1.00 63.31 N ATOM 1303 CA THR A 134 15.001 -3.871 -3.006 1.00 44.44 C ATOM 1304 C THR A 134 13.914 -4.948 -3.039 1.00 63.11 C ATOM 1305 O THR A 134 12.908 -4.829 -2.367 1.00 63.41 O ATOM 1306 CB THR A 134 15.578 -3.643 -1.547 1.00 14.50 C ATOM 1307 OG1 THR A 134 16.091 -4.850 -0.979 1.00 70.01 O ATOM 1308 CG2 THR A 134 14.552 -3.020 -0.598 1.00 22.34 C ATOM 0 H THR A 134 13.453 -2.542 -3.296 1.00 63.31 H new ATOM 0 HA THR A 134 15.841 -4.197 -3.620 1.00 44.44 H new ATOM 0 HB THR A 134 16.399 -2.936 -1.665 1.00 14.50 H new ATOM 0 HG1 THR A 134 16.439 -4.667 -0.081 1.00 70.01 H new ATOM 0 HG21 THR A 134 15.001 -2.886 0.386 1.00 22.34 H new ATOM 0 HG22 THR A 134 14.237 -2.052 -0.988 1.00 22.34 H new ATOM 0 HG23 THR A 134 13.686 -3.677 -0.516 1.00 22.34 H new ATOM 1316 N MET A 135 14.045 -5.963 -3.863 1.00 45.04 N ATOM 1317 CA MET A 135 12.988 -6.942 -3.851 1.00 64.44 C ATOM 1318 C MET A 135 13.391 -8.034 -2.924 1.00 51.24 C ATOM 1319 O MET A 135 14.231 -8.880 -3.257 1.00 5.12 O ATOM 1320 CB MET A 135 12.838 -7.502 -5.269 1.00 55.31 C ATOM 1321 CG MET A 135 11.843 -8.644 -5.453 1.00 21.44 C ATOM 1322 SD MET A 135 11.884 -9.273 -7.149 1.00 71.55 S ATOM 1323 CE MET A 135 10.670 -10.579 -7.093 1.00 23.23 C ATOM 0 H MET A 135 14.818 -6.127 -4.508 1.00 45.04 H new ATOM 0 HA MET A 135 12.044 -6.505 -3.527 1.00 64.44 H new ATOM 0 HB2 MET A 135 12.544 -6.685 -5.928 1.00 55.31 H new ATOM 0 HB3 MET A 135 13.816 -7.846 -5.604 1.00 55.31 H new ATOM 0 HG2 MET A 135 12.076 -9.450 -4.757 1.00 21.44 H new ATOM 0 HG3 MET A 135 10.838 -8.297 -5.214 1.00 21.44 H new ATOM 0 HE1 MET A 135 10.492 -10.954 -8.101 1.00 23.23 H new ATOM 0 HE2 MET A 135 11.037 -11.390 -6.463 1.00 23.23 H new ATOM 0 HE3 MET A 135 9.738 -10.192 -6.681 1.00 23.23 H new ATOM 1333 N VAL A 136 12.790 -8.007 -1.772 1.00 61.25 N ATOM 1334 CA VAL A 136 12.955 -8.999 -0.753 1.00 15.53 C ATOM 1335 C VAL A 136 11.677 -9.094 0.052 1.00 3.43 C ATOM 1336 O VAL A 136 11.376 -8.209 0.782 1.00 62.11 O ATOM 1337 CB VAL A 136 14.168 -8.669 0.181 1.00 42.23 C ATOM 1338 CG1 VAL A 136 15.482 -9.117 -0.450 1.00 41.44 C ATOM 1339 CG2 VAL A 136 14.234 -7.166 0.450 1.00 43.52 C ATOM 0 H VAL A 136 12.145 -7.263 -1.506 1.00 61.25 H new ATOM 0 HA VAL A 136 13.166 -9.957 -1.228 1.00 15.53 H new ATOM 0 HB VAL A 136 14.022 -9.207 1.118 1.00 42.23 H new ATOM 0 HG11 VAL A 136 16.308 -8.876 0.219 1.00 41.44 H new ATOM 0 HG12 VAL A 136 15.455 -10.193 -0.621 1.00 41.44 H new ATOM 0 HG13 VAL A 136 15.623 -8.602 -1.400 1.00 41.44 H new ATOM 0 HG21 VAL A 136 15.081 -6.950 1.100 1.00 43.52 H new ATOM 0 HG22 VAL A 136 14.355 -6.633 -0.493 1.00 43.52 H new ATOM 0 HG23 VAL A 136 13.313 -6.842 0.935 1.00 43.52 H new ATOM 1349 N LYS A 137 10.938 -10.108 -0.053 1.00 20.31 N ATOM 1350 CA LYS A 137 9.774 -10.170 0.773 1.00 60.11 C ATOM 1351 C LYS A 137 9.672 -11.555 1.263 1.00 55.50 C ATOM 1352 O LYS A 137 9.712 -12.501 0.473 1.00 23.30 O ATOM 1353 CB LYS A 137 8.544 -9.717 0.027 1.00 55.13 C ATOM 1354 CG LYS A 137 7.321 -9.348 0.873 1.00 61.53 C ATOM 1355 CD LYS A 137 7.549 -8.009 1.591 1.00 31.45 C ATOM 1356 CE LYS A 137 6.250 -7.361 2.092 1.00 74.31 C ATOM 1357 NZ LYS A 137 5.719 -7.990 3.319 1.00 20.13 N ATOM 0 H LYS A 137 11.091 -10.899 -0.678 1.00 20.31 H new ATOM 0 HA LYS A 137 9.854 -9.488 1.619 1.00 60.11 H new ATOM 0 HB2 LYS A 137 8.813 -8.851 -0.578 1.00 55.13 H new ATOM 0 HB3 LYS A 137 8.254 -10.509 -0.663 1.00 55.13 H new ATOM 0 HG2 LYS A 137 6.438 -9.281 0.237 1.00 61.53 H new ATOM 0 HG3 LYS A 137 7.128 -10.132 1.605 1.00 61.53 H new ATOM 0 HD2 LYS A 137 8.218 -8.167 2.437 1.00 31.45 H new ATOM 0 HD3 LYS A 137 8.052 -7.321 0.911 1.00 31.45 H new ATOM 0 HE2 LYS A 137 6.430 -6.303 2.283 1.00 74.31 H new ATOM 0 HE3 LYS A 137 5.496 -7.419 1.307 1.00 74.31 H new ATOM 0 HZ1 LYS A 137 4.788 -8.408 3.120 1.00 20.13 H new ATOM 0 HZ2 LYS A 137 6.372 -8.734 3.638 1.00 20.13 H new ATOM 0 HZ3 LYS A 137 5.623 -7.271 4.064 1.00 20.13 H new ATOM 1371 N ARG A 138 9.600 -11.704 2.520 1.00 4.12 N ATOM 1372 CA ARG A 138 9.596 -12.996 3.095 1.00 21.44 C ATOM 1373 C ARG A 138 8.264 -13.192 3.766 1.00 42.24 C ATOM 1374 O ARG A 138 7.593 -12.204 4.050 1.00 20.02 O ATOM 1375 CB ARG A 138 10.774 -13.155 4.086 1.00 21.00 C ATOM 1376 CG ARG A 138 12.201 -12.966 3.487 1.00 24.14 C ATOM 1377 CD ARG A 138 12.558 -11.505 3.142 1.00 33.11 C ATOM 1378 NE ARG A 138 12.324 -10.553 4.248 1.00 1.43 N ATOM 1379 CZ ARG A 138 12.768 -9.276 4.283 1.00 44.13 C ATOM 1380 NH1 ARG A 138 13.720 -8.870 3.466 1.00 54.24 N ATOM 1381 NH2 ARG A 138 12.309 -8.442 5.198 1.00 41.34 N ATOM 0 H ARG A 138 9.542 -10.937 3.189 1.00 4.12 H new ATOM 0 HA ARG A 138 9.733 -13.761 2.331 1.00 21.44 H new ATOM 0 HB2 ARG A 138 10.643 -12.436 4.894 1.00 21.00 H new ATOM 0 HB3 ARG A 138 10.717 -14.148 4.531 1.00 21.00 H new ATOM 0 HG2 ARG A 138 12.934 -13.348 4.198 1.00 24.14 H new ATOM 0 HG3 ARG A 138 12.286 -13.571 2.584 1.00 24.14 H new ATOM 0 HD2 ARG A 138 13.607 -11.457 2.851 1.00 33.11 H new ATOM 0 HD3 ARG A 138 11.972 -11.193 2.277 1.00 33.11 H new ATOM 0 HE ARG A 138 11.785 -10.885 5.048 1.00 1.43 H new ATOM 0 HH11 ARG A 138 14.131 -9.522 2.797 1.00 54.24 H new ATOM 0 HH12 ARG A 138 14.046 -7.904 3.503 1.00 54.24 H new ATOM 0 HH21 ARG A 138 11.619 -8.761 5.879 1.00 41.34 H new ATOM 0 HH22 ARG A 138 12.644 -7.479 5.224 1.00 41.34 H new ATOM 1395 N ASN A 139 7.846 -14.444 3.931 1.00 11.12 N ATOM 1396 CA ASN A 139 6.564 -14.811 4.595 1.00 4.21 C ATOM 1397 C ASN A 139 5.357 -14.378 3.772 1.00 4.43 C ATOM 1398 O ASN A 139 4.227 -14.381 4.260 1.00 41.33 O ATOM 1399 CB ASN A 139 6.449 -14.210 6.018 1.00 32.01 C ATOM 1400 CG ASN A 139 7.547 -14.650 6.952 1.00 50.11 C ATOM 1401 OD1 ASN A 139 8.602 -14.005 7.040 1.00 61.11 O ATOM 1402 ND2 ASN A 139 7.324 -15.718 7.662 1.00 54.50 N ATOM 0 H ASN A 139 8.381 -15.251 3.610 1.00 11.12 H new ATOM 0 HA ASN A 139 6.571 -15.898 4.675 1.00 4.21 H new ATOM 0 HB2 ASN A 139 6.460 -13.122 5.945 1.00 32.01 H new ATOM 0 HB3 ASN A 139 5.486 -14.491 6.445 1.00 32.01 H new ATOM 0 HD21 ASN A 139 8.030 -16.051 8.319 1.00 54.50 H new ATOM 0 HD22 ASN A 139 6.443 -16.222 7.562 1.00 54.50 H new ATOM 1409 N ASN A 140 5.584 -14.045 2.522 1.00 71.42 N ATOM 1410 CA ASN A 140 4.524 -13.547 1.661 1.00 2.13 C ATOM 1411 C ASN A 140 4.727 -14.061 0.248 1.00 42.24 C ATOM 1412 O ASN A 140 4.197 -15.105 -0.130 1.00 61.33 O ATOM 1413 CB ASN A 140 4.495 -11.995 1.633 1.00 34.31 C ATOM 1414 CG ASN A 140 4.135 -11.317 2.936 1.00 22.10 C ATOM 1415 OD1 ASN A 140 2.977 -11.072 3.210 1.00 23.35 O ATOM 1416 ND2 ASN A 140 5.128 -10.961 3.718 1.00 33.44 N ATOM 0 H ASN A 140 6.497 -14.109 2.072 1.00 71.42 H new ATOM 0 HA ASN A 140 3.576 -13.905 2.062 1.00 2.13 H new ATOM 0 HB2 ASN A 140 5.476 -11.638 1.319 1.00 34.31 H new ATOM 0 HB3 ASN A 140 3.782 -11.678 0.872 1.00 34.31 H new ATOM 0 HD21 ASN A 140 4.939 -10.462 4.587 1.00 33.44 H new ATOM 0 HD22 ASN A 140 6.088 -11.183 3.456 1.00 33.44 H new ATOM 1423 N GLN A 141 5.547 -13.339 -0.488 1.00 64.43 N ATOM 1424 CA GLN A 141 5.935 -13.609 -1.844 1.00 51.15 C ATOM 1425 C GLN A 141 7.025 -12.657 -2.113 1.00 55.35 C ATOM 1426 O GLN A 141 7.159 -11.732 -1.353 1.00 34.25 O ATOM 1427 CB GLN A 141 4.815 -13.337 -2.856 1.00 2.24 C ATOM 1428 CG GLN A 141 4.372 -11.894 -3.077 1.00 23.13 C ATOM 1429 CD GLN A 141 3.559 -11.320 -1.964 1.00 52.34 C ATOM 1430 OE1 GLN A 141 2.358 -11.470 -1.930 1.00 4.04 O ATOM 1431 NE2 GLN A 141 4.183 -10.601 -1.101 1.00 74.14 N ATOM 0 H GLN A 141 5.985 -12.493 -0.124 1.00 64.43 H new ATOM 0 HA GLN A 141 6.205 -14.660 -1.950 1.00 51.15 H new ATOM 0 HB2 GLN A 141 5.133 -13.738 -3.819 1.00 2.24 H new ATOM 0 HB3 GLN A 141 3.941 -13.909 -2.545 1.00 2.24 H new ATOM 0 HG2 GLN A 141 5.256 -11.274 -3.222 1.00 23.13 H new ATOM 0 HG3 GLN A 141 3.792 -11.842 -3.998 1.00 23.13 H new ATOM 0 HE21 GLN A 141 5.196 -10.497 -1.161 1.00 74.14 H new ATOM 0 HE22 GLN A 141 3.665 -10.134 -0.356 1.00 74.14 H new ATOM 1440 N THR A 142 7.751 -12.804 -3.167 1.00 62.51 N ATOM 1441 CA THR A 142 8.776 -11.868 -3.443 1.00 71.12 C ATOM 1442 C THR A 142 8.292 -10.768 -4.379 1.00 31.25 C ATOM 1443 O THR A 142 7.983 -10.976 -5.541 1.00 10.20 O ATOM 1444 CB THR A 142 10.100 -12.517 -3.878 1.00 51.22 C ATOM 1445 OG1 THR A 142 9.868 -13.595 -4.797 1.00 72.51 O ATOM 1446 CG2 THR A 142 10.882 -13.011 -2.663 1.00 44.04 C ATOM 0 H THR A 142 7.653 -13.559 -3.846 1.00 62.51 H new ATOM 0 HA THR A 142 9.019 -11.382 -2.498 1.00 71.12 H new ATOM 0 HB THR A 142 10.694 -11.758 -4.388 1.00 51.22 H new ATOM 0 HG1 THR A 142 10.725 -13.991 -5.060 1.00 72.51 H new ATOM 0 HG21 THR A 142 11.816 -13.467 -2.992 1.00 44.04 H new ATOM 0 HG22 THR A 142 11.101 -12.170 -2.005 1.00 44.04 H new ATOM 0 HG23 THR A 142 10.288 -13.749 -2.124 1.00 44.04 H new ATOM 1454 N ILE A 143 8.208 -9.624 -3.794 1.00 44.24 N ATOM 1455 CA ILE A 143 7.690 -8.400 -4.334 1.00 20.34 C ATOM 1456 C ILE A 143 8.700 -7.298 -4.085 1.00 0.31 C ATOM 1457 O ILE A 143 9.557 -7.452 -3.204 1.00 32.13 O ATOM 1458 CB ILE A 143 6.248 -8.052 -3.838 1.00 73.14 C ATOM 1459 CG1 ILE A 143 6.098 -8.223 -2.355 1.00 11.32 C ATOM 1460 CG2 ILE A 143 5.187 -8.820 -4.577 1.00 71.12 C ATOM 1461 CD1 ILE A 143 6.698 -7.095 -1.591 1.00 54.02 C ATOM 0 H ILE A 143 8.529 -9.503 -2.833 1.00 44.24 H new ATOM 0 HA ILE A 143 7.558 -8.521 -5.409 1.00 20.34 H new ATOM 0 HB ILE A 143 6.103 -6.995 -4.062 1.00 73.14 H new ATOM 0 HG12 ILE A 143 5.040 -8.305 -2.106 1.00 11.32 H new ATOM 0 HG13 ILE A 143 6.570 -9.157 -2.050 1.00 11.32 H new ATOM 0 HG21 ILE A 143 4.204 -8.542 -4.195 1.00 71.12 H new ATOM 0 HG22 ILE A 143 5.243 -8.586 -5.640 1.00 71.12 H new ATOM 0 HG23 ILE A 143 5.344 -9.889 -4.432 1.00 71.12 H new ATOM 0 HD11 ILE A 143 6.563 -7.266 -0.523 1.00 54.02 H new ATOM 0 HD12 ILE A 143 7.762 -7.028 -1.816 1.00 54.02 H new ATOM 0 HD13 ILE A 143 6.208 -6.163 -1.874 1.00 54.02 H new ATOM 1473 N PHE A 144 8.668 -6.258 -4.862 1.00 42.22 N ATOM 1474 CA PHE A 144 9.716 -5.267 -4.842 1.00 4.43 C ATOM 1475 C PHE A 144 9.398 -4.234 -3.795 1.00 13.40 C ATOM 1476 O PHE A 144 8.356 -3.572 -3.837 1.00 33.31 O ATOM 1477 CB PHE A 144 9.732 -4.530 -6.188 1.00 75.45 C ATOM 1478 CG PHE A 144 10.092 -5.354 -7.379 1.00 54.11 C ATOM 1479 CD1 PHE A 144 9.112 -6.014 -8.111 1.00 14.11 C ATOM 1480 CD2 PHE A 144 11.404 -5.449 -7.784 1.00 72.02 C ATOM 1481 CE1 PHE A 144 9.447 -6.757 -9.224 1.00 70.13 C ATOM 1482 CE2 PHE A 144 11.748 -6.187 -8.901 1.00 61.12 C ATOM 1483 CZ PHE A 144 10.767 -6.845 -9.620 1.00 40.10 C ATOM 0 H PHE A 144 7.920 -6.067 -5.528 1.00 42.22 H new ATOM 0 HA PHE A 144 10.668 -5.759 -4.642 1.00 4.43 H new ATOM 0 HB2 PHE A 144 8.746 -4.097 -6.355 1.00 75.45 H new ATOM 0 HB3 PHE A 144 10.436 -3.701 -6.118 1.00 75.45 H new ATOM 0 HD1 PHE A 144 8.078 -5.944 -7.806 1.00 14.11 H new ATOM 0 HD2 PHE A 144 12.174 -4.941 -7.222 1.00 72.02 H new ATOM 0 HE1 PHE A 144 8.679 -7.269 -9.784 1.00 70.13 H new ATOM 0 HE2 PHE A 144 12.781 -6.250 -9.211 1.00 61.12 H new ATOM 0 HZ PHE A 144 11.033 -7.427 -10.490 1.00 40.10 H new ATOM 1493 N GLU A 145 10.284 -4.130 -2.836 1.00 5.23 N ATOM 1494 CA GLU A 145 10.125 -3.230 -1.762 1.00 32.54 C ATOM 1495 C GLU A 145 10.856 -1.959 -2.104 1.00 71.12 C ATOM 1496 O GLU A 145 11.899 -1.987 -2.768 1.00 22.20 O ATOM 1497 CB GLU A 145 10.677 -3.812 -0.456 1.00 51.01 C ATOM 1498 CG GLU A 145 10.236 -5.218 -0.123 1.00 14.33 C ATOM 1499 CD GLU A 145 10.279 -5.468 1.362 1.00 4.20 C ATOM 1500 OE1 GLU A 145 11.372 -5.702 1.911 1.00 62.13 O ATOM 1501 OE2 GLU A 145 9.201 -5.383 2.027 1.00 14.42 O ATOM 0 H GLU A 145 11.140 -4.682 -2.795 1.00 5.23 H new ATOM 0 HA GLU A 145 9.063 -3.037 -1.611 1.00 32.54 H new ATOM 0 HB2 GLU A 145 11.766 -3.795 -0.505 1.00 51.01 H new ATOM 0 HB3 GLU A 145 10.384 -3.156 0.364 1.00 51.01 H new ATOM 0 HG2 GLU A 145 9.223 -5.381 -0.492 1.00 14.33 H new ATOM 0 HG3 GLU A 145 10.880 -5.934 -0.633 1.00 14.33 H new ATOM 1508 N GLN A 146 10.320 -0.869 -1.693 1.00 12.41 N ATOM 1509 CA GLN A 146 10.906 0.401 -1.991 1.00 2.30 C ATOM 1510 C GLN A 146 11.158 1.159 -0.677 1.00 35.31 C ATOM 1511 O GLN A 146 10.199 1.455 0.060 1.00 62.12 O ATOM 1512 CB GLN A 146 9.955 1.159 -2.932 1.00 41.33 C ATOM 1513 CG GLN A 146 10.648 2.216 -3.750 1.00 42.21 C ATOM 1514 CD GLN A 146 9.776 2.867 -4.782 1.00 64.03 C ATOM 1515 OE1 GLN A 146 9.702 2.415 -5.923 1.00 21.35 O ATOM 1516 NE2 GLN A 146 9.116 3.930 -4.407 1.00 64.24 N ATOM 0 H GLN A 146 9.464 -0.824 -1.141 1.00 12.41 H new ATOM 0 HA GLN A 146 11.868 0.292 -2.493 1.00 2.30 H new ATOM 0 HB2 GLN A 146 9.474 0.447 -3.603 1.00 41.33 H new ATOM 0 HB3 GLN A 146 9.165 1.625 -2.342 1.00 41.33 H new ATOM 0 HG2 GLN A 146 11.033 2.984 -3.079 1.00 42.21 H new ATOM 0 HG3 GLN A 146 11.508 1.768 -4.248 1.00 42.21 H new ATOM 0 HE21 GLN A 146 9.204 4.274 -3.451 1.00 64.24 H new ATOM 0 HE22 GLN A 146 8.513 4.416 -5.070 1.00 64.24 H new ATOM 1525 N THR A 147 12.435 1.390 -0.338 1.00 31.14 N ATOM 1526 CA THR A 147 12.813 2.060 0.919 1.00 52.41 C ATOM 1527 C THR A 147 13.398 3.420 0.628 1.00 35.42 C ATOM 1528 O THR A 147 13.827 3.687 -0.481 1.00 71.01 O ATOM 1529 CB THR A 147 13.880 1.249 1.689 1.00 51.50 C ATOM 1530 OG1 THR A 147 14.172 0.028 0.977 1.00 32.51 O ATOM 1531 CG2 THR A 147 13.399 0.919 3.100 1.00 12.15 C ATOM 0 H THR A 147 13.229 1.122 -0.919 1.00 31.14 H new ATOM 0 HA THR A 147 11.909 2.146 1.522 1.00 52.41 H new ATOM 0 HB THR A 147 14.784 1.854 1.765 1.00 51.50 H new ATOM 0 HG1 THR A 147 14.526 -0.639 1.602 1.00 32.51 H new ATOM 0 HG21 THR A 147 14.167 0.348 3.622 1.00 12.15 H new ATOM 0 HG22 THR A 147 13.202 1.843 3.643 1.00 12.15 H new ATOM 0 HG23 THR A 147 12.484 0.330 3.044 1.00 12.15 H new ATOM 1539 N ILE A 148 13.420 4.254 1.607 1.00 60.11 N ATOM 1540 CA ILE A 148 13.959 5.580 1.484 1.00 5.32 C ATOM 1541 C ILE A 148 15.284 5.595 2.205 1.00 40.12 C ATOM 1542 O ILE A 148 15.550 4.733 3.030 1.00 40.43 O ATOM 1543 CB ILE A 148 13.019 6.624 2.122 1.00 70.43 C ATOM 1544 CG1 ILE A 148 11.590 6.282 1.731 1.00 60.43 C ATOM 1545 CG2 ILE A 148 13.374 7.994 1.564 1.00 73.32 C ATOM 1546 CD1 ILE A 148 10.501 6.832 2.614 1.00 13.12 C ATOM 0 H ILE A 148 13.060 4.039 2.537 1.00 60.11 H new ATOM 0 HA ILE A 148 14.073 5.835 0.430 1.00 5.32 H new ATOM 0 HB ILE A 148 13.121 6.625 3.207 1.00 70.43 H new ATOM 0 HG12 ILE A 148 11.419 6.640 0.716 1.00 60.43 H new ATOM 0 HG13 ILE A 148 11.494 5.197 1.707 1.00 60.43 H new ATOM 0 HG21 ILE A 148 12.719 8.747 2.004 1.00 73.32 H new ATOM 0 HG22 ILE A 148 14.411 8.228 1.807 1.00 73.32 H new ATOM 0 HG23 ILE A 148 13.247 7.990 0.481 1.00 73.32 H new ATOM 0 HD11 ILE A 148 9.530 6.519 2.231 1.00 13.12 H new ATOM 0 HD12 ILE A 148 10.630 6.455 3.628 1.00 13.12 H new ATOM 0 HD13 ILE A 148 10.554 7.921 2.622 1.00 13.12 H new ATOM 1558 N ASN A 149 16.132 6.494 1.840 1.00 73.31 N ATOM 1559 CA ASN A 149 17.429 6.634 2.472 1.00 13.41 C ATOM 1560 C ASN A 149 17.420 7.756 3.501 1.00 22.34 C ATOM 1561 O ASN A 149 18.454 8.104 4.063 1.00 33.41 O ATOM 1562 CB ASN A 149 18.507 6.887 1.397 1.00 54.32 C ATOM 1563 CG ASN A 149 18.133 7.963 0.368 1.00 71.31 C ATOM 1564 OD1 ASN A 149 18.505 7.855 -0.795 1.00 50.13 O ATOM 1565 ND2 ASN A 149 17.434 9.001 0.780 1.00 51.14 N ATOM 0 H ASN A 149 15.958 7.164 1.091 1.00 73.31 H new ATOM 0 HA ASN A 149 17.662 5.708 2.998 1.00 13.41 H new ATOM 0 HB2 ASN A 149 19.434 7.179 1.890 1.00 54.32 H new ATOM 0 HB3 ASN A 149 18.706 5.953 0.872 1.00 54.32 H new ATOM 0 HD21 ASN A 149 17.188 9.743 0.125 1.00 51.14 H new ATOM 0 HD22 ASN A 149 17.139 9.063 1.754 1.00 51.14 H new ATOM 1572 N ASP A 150 16.248 8.315 3.771 1.00 21.23 N ATOM 1573 CA ASP A 150 16.191 9.489 4.645 1.00 14.24 C ATOM 1574 C ASP A 150 14.880 9.580 5.398 1.00 14.34 C ATOM 1575 O ASP A 150 14.852 9.666 6.630 1.00 22.23 O ATOM 1576 CB ASP A 150 16.347 10.735 3.806 1.00 42.31 C ATOM 1577 CG ASP A 150 16.714 11.953 4.636 1.00 0.10 C ATOM 1578 OD1 ASP A 150 15.812 12.671 5.129 1.00 60.10 O ATOM 1579 OD2 ASP A 150 17.923 12.209 4.820 1.00 25.41 O ATOM 0 H ASP A 150 15.349 7.992 3.414 1.00 21.23 H new ATOM 0 HA ASP A 150 16.996 9.396 5.374 1.00 14.24 H new ATOM 0 HB2 ASP A 150 17.116 10.568 3.052 1.00 42.31 H new ATOM 0 HB3 ASP A 150 15.416 10.929 3.273 1.00 42.31 H new ATOM 1584 N LEU A 151 13.787 9.507 4.655 1.00 20.15 N ATOM 1585 CA LEU A 151 12.423 9.677 5.188 1.00 45.03 C ATOM 1586 C LEU A 151 11.952 8.398 5.894 1.00 32.43 C ATOM 1587 O LEU A 151 10.775 8.237 6.225 1.00 35.41 O ATOM 1588 CB LEU A 151 11.493 9.991 4.029 1.00 43.30 C ATOM 1589 CG LEU A 151 11.911 11.140 3.119 1.00 72.24 C ATOM 1590 CD1 LEU A 151 11.393 10.916 1.716 1.00 54.35 C ATOM 1591 CD2 LEU A 151 11.357 12.431 3.630 1.00 52.34 C ATOM 0 H LEU A 151 13.811 9.326 3.651 1.00 20.15 H new ATOM 0 HA LEU A 151 12.416 10.489 5.915 1.00 45.03 H new ATOM 0 HB2 LEU A 151 11.390 9.093 3.420 1.00 43.30 H new ATOM 0 HB3 LEU A 151 10.506 10.217 4.434 1.00 43.30 H new ATOM 0 HG LEU A 151 13.000 11.182 3.107 1.00 72.24 H new ATOM 0 HD11 LEU A 151 11.700 11.745 1.078 1.00 54.35 H new ATOM 0 HD12 LEU A 151 11.801 9.985 1.322 1.00 54.35 H new ATOM 0 HD13 LEU A 151 10.305 10.856 1.735 1.00 54.35 H new ATOM 0 HD21 LEU A 151 11.663 13.244 2.971 1.00 52.34 H new ATOM 0 HD22 LEU A 151 10.269 12.375 3.656 1.00 52.34 H new ATOM 0 HD23 LEU A 151 11.735 12.617 4.635 1.00 52.34 H new ATOM 1603 N THR A 152 12.887 7.518 6.090 1.00 42.12 N ATOM 1604 CA THR A 152 12.745 6.243 6.734 1.00 1.01 C ATOM 1605 C THR A 152 12.357 6.419 8.211 1.00 62.34 C ATOM 1606 O THR A 152 11.651 5.590 8.791 1.00 24.30 O ATOM 1607 CB THR A 152 14.126 5.600 6.652 1.00 13.04 C ATOM 1608 OG1 THR A 152 14.581 5.774 5.322 1.00 74.43 O ATOM 1609 CG2 THR A 152 14.107 4.122 6.973 1.00 73.53 C ATOM 0 H THR A 152 13.844 7.684 5.780 1.00 42.12 H new ATOM 0 HA THR A 152 11.968 5.643 6.260 1.00 1.01 H new ATOM 0 HB THR A 152 14.778 6.073 7.387 1.00 13.04 H new ATOM 0 HG1 THR A 152 14.091 5.169 4.727 1.00 74.43 H new ATOM 0 HG21 THR A 152 15.118 3.720 6.898 1.00 73.53 H new ATOM 0 HG22 THR A 152 13.732 3.974 7.986 1.00 73.53 H new ATOM 0 HG23 THR A 152 13.458 3.605 6.267 1.00 73.53 H new ATOM 1617 N PHE A 153 12.791 7.518 8.789 1.00 71.04 N ATOM 1618 CA PHE A 153 12.576 7.784 10.201 1.00 34.43 C ATOM 1619 C PHE A 153 11.861 9.104 10.367 1.00 32.31 C ATOM 1620 O PHE A 153 11.653 9.820 9.370 1.00 33.11 O ATOM 1621 CB PHE A 153 13.914 7.814 10.952 1.00 3.40 C ATOM 1622 CG PHE A 153 14.708 6.534 10.856 1.00 43.11 C ATOM 1623 CD1 PHE A 153 14.376 5.435 11.631 1.00 50.13 C ATOM 1624 CD2 PHE A 153 15.784 6.434 9.990 1.00 10.02 C ATOM 1625 CE1 PHE A 153 15.101 4.263 11.542 1.00 14.11 C ATOM 1626 CE2 PHE A 153 16.511 5.267 9.899 1.00 73.44 C ATOM 1627 CZ PHE A 153 16.168 4.180 10.675 1.00 60.40 C ATOM 0 H PHE A 153 13.302 8.252 8.298 1.00 71.04 H new ATOM 0 HA PHE A 153 11.962 6.986 10.619 1.00 34.43 H new ATOM 0 HB2 PHE A 153 14.518 8.633 10.562 1.00 3.40 H new ATOM 0 HB3 PHE A 153 13.723 8.032 12.003 1.00 3.40 H new ATOM 0 HD1 PHE A 153 13.541 5.495 12.313 1.00 50.13 H new ATOM 0 HD2 PHE A 153 16.057 7.281 9.378 1.00 10.02 H new ATOM 0 HE1 PHE A 153 14.832 3.413 12.151 1.00 14.11 H new ATOM 0 HE2 PHE A 153 17.349 5.204 9.220 1.00 73.44 H new ATOM 0 HZ PHE A 153 16.736 3.264 10.603 1.00 60.40 H new TER 1637 PHE A 153 HETATM 1638 ZN ZN A 205 -6.558 -4.742 2.696 1.00 62.04 ZN HETATM 1639 ZN ZN A 305 5.925 4.276 3.577 1.00 12.15 ZN