USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 935 hydrogens (29 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: B 6 PTR HN2 : B 6 PTR N : B 5 VAL C :(H bumps) USER MOD NoAdj-H: B 6 PTR H : B 6 PTR N : B 5 VAL C :(H bumps) USER MOD NoAdj-H: B 10 PTR HN2 : B 10 PTR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 10 PTR H : B 10 PTR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 14 GMA HE2 : B 14 GMA OE2 : B 14 GMA CD :(short bond) USER MOD NoAdj-H: B 14 GMA H2 : B 14 GMA N : B 13 PRO C :(H bumps) USER MOD NoAdj-H: B 14 GMA H : B 14 GMA N : B 13 PRO C :(H bumps) USER MOD Set 1.1: A 8 SER OG : rot 179:sc= 0.533 USER MOD Set 1.2: A 82 SER OG : rot 72:sc= 2.1 USER MOD Set 2.1: A 13 HIS : no HE2:sc= -2.97! C(o=-2.5!,f=-21!) USER MOD Set 2.2: A 76 SER OG : rot -57:sc= 0.463 USER MOD Set 3.1: A 54 LYS NZ :NH3+ -156:sc= 1.12 (180deg=0) USER MOD Set 3.2: A 90 TYR OH : rot -121:sc= 0.939 USER MOD Set 4.1: A 38 LYS NZ :NH3+ -111:sc= 0.229 (180deg=-0.17) USER MOD Set 4.2: A 62 GLN : amide:sc= 0.24 K(o=0.47,f=-0.52) USER MOD Set 5.1: A 26 MET CE :methyl -147:sc= -0.404 (180deg=0) USER MOD Set 5.2: A 57 HIS : no HD1:sc= -2.3 K(o=-2.7,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.121 (180deg=-0.121) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.491 K(o=-0.49,f=-2.2!) USER MOD Single : A 9 LYS NZ :NH3+ 154:sc= 1.15 (180deg=-1.14) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 175:sc= -4.69! USER MOD Single : A 20 GLN : amide:sc= -0.686 K(o=-0.69,f=-4.8!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.0549 K(o=0.055,f=-2.4!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 44 SER OG : rot 132:sc= -3.06! USER MOD Single : A 45 TYR OH : rot 15:sc= -2.02! USER MOD Single : A 48 SER OG : rot 50:sc= -1.34! USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= 0.977 (180deg=0.643) USER MOD Single : A 58 CYS SG : rot 38:sc= -3.73! USER MOD Single : A 61 GLN : amide:sc= -0.738 K(o=-0.74,f=-5.2!) USER MOD Single : A 65 GLN : amide:sc= -0.0225 X(o=-0.023,f=0) USER MOD Single : A 66 THR OG1 : rot -17:sc= 0.489 USER MOD Single : A 68 MET CE :methyl 170:sc= -0.619 (180deg=-0.915) USER MOD Single : A 71 ASN : amide:sc= -0.295 K(o=-0.29,f=-0.81) USER MOD Single : A 72 SER OG : rot 24:sc= 0.204 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 74:sc= -0.402 USER MOD Single : A 86 LYS NZ :NH3+ 149:sc= 0.611 (180deg=-0.097!) USER MOD Single : A 87 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.5) USER MOD Single : A 92 LYS NZ :NH3+ 140:sc= -1.4 (180deg=-3.92!) USER MOD Single : A 93 MET CE :methyl -164:sc= -5.51! (180deg=-6.45!) USER MOD Single : A 94 LYS NZ :NH3+ -149:sc= 1.08 (180deg=0.308) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.0627 K(o=0.063,f=-2) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 68:sc= 0.299 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE B 1 9.271 -8.201 -13.080 1.00 5.12 C HETATM 2 O ACE B 1 10.185 -8.643 -13.738 1.00 4.87 O HETATM 3 CH3 ACE B 1 8.462 -9.128 -12.160 1.00 6.31 C HETATM 0 H1 ACE B 1 8.542 -8.779 -11.130 1.00 6.31 H new HETATM 0 H2 ACE B 1 7.416 -9.121 -12.465 1.00 6.31 H new HETATM 0 H3 ACE B 1 8.854 -10.143 -12.231 1.00 6.31 H new ATOM 7 N ASP B 2 8.918 -6.931 -13.126 1.00 4.70 N ATOM 8 CA ASP B 2 9.629 -5.924 -13.982 1.00 3.87 C ATOM 9 C ASP B 2 9.036 -4.539 -13.652 1.00 2.92 C ATOM 10 O ASP B 2 8.846 -4.259 -12.489 1.00 3.28 O ATOM 11 CB ASP B 2 9.410 -6.380 -15.447 1.00 4.44 C ATOM 12 CG ASP B 2 10.341 -5.603 -16.385 1.00 4.87 C ATOM 13 OD1 ASP B 2 11.527 -5.882 -16.409 1.00 5.24 O ATOM 14 OD2 ASP B 2 9.822 -4.757 -17.088 1.00 5.26 O ATOM 0 H ASP B 2 8.143 -6.543 -12.588 1.00 4.70 H new ATOM 0 HA ASP B 2 10.703 -5.852 -13.809 1.00 3.87 H new ATOM 0 HB2 ASP B 2 9.601 -7.449 -15.536 1.00 4.44 H new ATOM 0 HB3 ASP B 2 8.372 -6.217 -15.736 1.00 4.44 H new ATOM 19 N THR B 3 8.755 -3.668 -14.626 1.00 2.29 N ATOM 20 CA THR B 3 8.175 -2.298 -14.274 1.00 2.00 C ATOM 21 C THR B 3 6.649 -2.187 -14.464 1.00 1.61 C ATOM 22 O THR B 3 6.090 -1.244 -13.990 1.00 2.15 O ATOM 23 CB THR B 3 8.872 -1.239 -15.138 1.00 2.57 C ATOM 24 OG1 THR B 3 8.352 -1.256 -16.464 1.00 3.23 O ATOM 25 CG2 THR B 3 10.373 -1.470 -15.139 1.00 3.26 C ATOM 0 H THR B 3 8.897 -3.839 -15.621 1.00 2.29 H new ATOM 0 HA THR B 3 8.356 -2.143 -13.210 1.00 2.00 H new ATOM 0 HB THR B 3 8.677 -0.254 -14.713 1.00 2.57 H new ATOM 0 HG1 THR B 3 8.805 -0.574 -17.002 1.00 3.23 H new ATOM 0 HG21 THR B 3 10.857 -0.713 -15.755 1.00 3.26 H new ATOM 0 HG22 THR B 3 10.752 -1.405 -14.119 1.00 3.26 H new ATOM 0 HG23 THR B 3 10.589 -2.459 -15.543 1.00 3.26 H new ATOM 33 N GLU B 4 5.963 -3.114 -15.120 1.00 1.24 N ATOM 34 CA GLU B 4 4.464 -2.944 -15.259 1.00 1.08 C ATOM 35 C GLU B 4 3.716 -4.291 -15.467 1.00 0.97 C ATOM 36 O GLU B 4 3.031 -4.470 -16.460 1.00 1.55 O ATOM 37 CB GLU B 4 4.333 -2.033 -16.483 1.00 1.38 C ATOM 38 CG GLU B 4 4.133 -0.570 -16.031 1.00 1.78 C ATOM 39 CD GLU B 4 2.673 -0.306 -15.659 1.00 2.13 C ATOM 40 OE1 GLU B 4 1.989 -1.239 -15.278 1.00 2.68 O ATOM 41 OE2 GLU B 4 2.256 0.833 -15.774 1.00 2.43 O ATOM 0 H GLU B 4 6.358 -3.950 -15.550 1.00 1.24 H new ATOM 0 HA GLU B 4 4.011 -2.533 -14.357 1.00 1.08 H new ATOM 0 HB2 GLU B 4 5.226 -2.112 -17.103 1.00 1.38 H new ATOM 0 HB3 GLU B 4 3.490 -2.352 -17.096 1.00 1.38 H new ATOM 0 HG2 GLU B 4 4.774 -0.359 -15.175 1.00 1.78 H new ATOM 0 HG3 GLU B 4 4.436 0.106 -16.830 1.00 1.78 H new ATOM 48 N VAL B 5 3.810 -5.244 -14.542 1.00 0.95 N ATOM 49 CA VAL B 5 3.066 -6.538 -14.746 1.00 1.01 C ATOM 50 C VAL B 5 3.060 -7.486 -13.491 1.00 0.93 C ATOM 51 O VAL B 5 3.896 -8.353 -13.342 1.00 1.10 O ATOM 52 CB VAL B 5 3.762 -7.177 -15.998 1.00 1.22 C ATOM 53 CG1 VAL B 5 4.986 -8.027 -15.624 1.00 1.77 C ATOM 54 CG2 VAL B 5 2.763 -8.047 -16.771 1.00 2.13 C ATOM 0 H VAL B 5 4.355 -5.179 -13.682 1.00 0.95 H new ATOM 0 HA VAL B 5 2.001 -6.366 -14.900 1.00 1.01 H new ATOM 0 HB VAL B 5 4.107 -6.352 -16.620 1.00 1.22 H new ATOM 0 HG11 VAL B 5 5.429 -8.445 -16.528 1.00 1.77 H new ATOM 0 HG12 VAL B 5 5.721 -7.403 -15.115 1.00 1.77 H new ATOM 0 HG13 VAL B 5 4.678 -8.837 -14.963 1.00 1.77 H new ATOM 0 HG21 VAL B 5 3.257 -8.485 -17.638 1.00 2.13 H new ATOM 0 HG22 VAL B 5 2.395 -8.842 -16.122 1.00 2.13 H new ATOM 0 HG23 VAL B 5 1.926 -7.433 -17.103 1.00 2.13 H new HETATM 64 N PTR B 6 2.062 -7.379 -12.614 1.00 0.83 N HETATM 65 CA PTR B 6 1.970 -8.353 -11.449 1.00 0.85 C HETATM 66 C PTR B 6 0.575 -9.030 -11.442 1.00 0.83 C HETATM 67 O PTR B 6 -0.101 -9.075 -12.452 1.00 1.21 O HETATM 68 CB PTR B 6 2.165 -7.631 -10.096 1.00 1.00 C HETATM 69 CG PTR B 6 2.602 -6.190 -10.195 1.00 0.78 C HETATM 70 CD1 PTR B 6 3.959 -5.868 -10.180 1.00 0.93 C HETATM 71 CD2 PTR B 6 1.639 -5.175 -10.202 1.00 0.90 C HETATM 72 CE1 PTR B 6 4.359 -4.526 -10.169 1.00 1.18 C HETATM 73 CE2 PTR B 6 2.037 -3.837 -10.208 1.00 1.18 C HETATM 74 CZ PTR B 6 3.399 -3.510 -10.186 1.00 1.31 C HETATM 75 OH PTR B 6 3.786 -2.178 -10.167 1.00 1.77 O HETATM 76 P PTR B 6 4.854 -1.684 -11.193 1.00 2.36 P HETATM 77 O1P PTR B 6 5.920 -0.983 -10.310 1.00 3.08 O HETATM 78 O2P PTR B 6 4.101 -0.602 -12.000 1.00 2.77 O HETATM 79 O3P PTR B 6 5.357 -2.945 -12.016 1.00 3.13 O HETATM 0 HE2 PTR B 6 1.287 -3.046 -10.230 1.00 1.18 H new HETATM 0 HE1 PTR B 6 5.419 -4.274 -10.147 1.00 1.18 H new HETATM 0 HD2 PTR B 6 0.579 -5.429 -10.203 1.00 0.90 H new HETATM 0 HD1 PTR B 6 4.708 -6.660 -10.177 1.00 0.93 H new HETATM 0 HB3 PTR B 6 1.227 -7.673 -9.542 1.00 1.00 H new HETATM 0 HB2 PTR B 6 2.905 -8.179 -9.513 1.00 1.00 H new HETATM 0 HA PTR B 6 2.759 -9.095 -11.575 1.00 0.85 H new ATOM 89 N GLU B 7 0.137 -9.545 -10.298 1.00 0.82 N ATOM 90 CA GLU B 7 -1.216 -10.204 -10.223 1.00 0.87 C ATOM 91 C GLU B 7 -1.830 -10.105 -8.800 1.00 0.88 C ATOM 92 O GLU B 7 -2.839 -9.468 -8.616 1.00 1.35 O ATOM 93 CB GLU B 7 -0.975 -11.666 -10.621 1.00 1.11 C ATOM 94 CG GLU B 7 -2.203 -12.185 -11.386 1.00 1.85 C ATOM 95 CD GLU B 7 -3.407 -12.280 -10.444 1.00 2.54 C ATOM 96 OE1 GLU B 7 -3.283 -12.926 -9.411 1.00 3.02 O ATOM 97 OE2 GLU B 7 -4.435 -11.700 -10.775 1.00 3.08 O ATOM 0 H GLU B 7 0.659 -9.534 -9.422 1.00 0.82 H new ATOM 0 HA GLU B 7 -1.932 -9.713 -10.882 1.00 0.87 H new ATOM 0 HB2 GLU B 7 -0.083 -11.745 -11.243 1.00 1.11 H new ATOM 0 HB3 GLU B 7 -0.800 -12.274 -9.733 1.00 1.11 H new ATOM 0 HG2 GLU B 7 -2.433 -11.518 -12.217 1.00 1.85 H new ATOM 0 HG3 GLU B 7 -1.988 -13.164 -11.814 1.00 1.85 H new ATOM 104 N SER B 8 -1.243 -10.735 -7.799 1.00 1.06 N ATOM 105 CA SER B 8 -1.837 -10.668 -6.413 1.00 1.07 C ATOM 106 C SER B 8 -0.981 -9.779 -5.478 1.00 0.88 C ATOM 107 O SER B 8 0.137 -10.130 -5.147 1.00 1.06 O ATOM 108 CB SER B 8 -1.877 -12.122 -5.948 1.00 1.46 C ATOM 109 OG SER B 8 -3.112 -12.702 -6.361 1.00 2.04 O ATOM 0 H SER B 8 -0.389 -11.286 -7.879 1.00 1.06 H new ATOM 0 HA SER B 8 -2.828 -10.213 -6.402 1.00 1.07 H new ATOM 0 HB2 SER B 8 -1.039 -12.677 -6.371 1.00 1.46 H new ATOM 0 HB3 SER B 8 -1.779 -12.174 -4.864 1.00 1.46 H new ATOM 0 HG SER B 8 -3.130 -12.773 -7.338 1.00 2.04 H new ATOM 115 N PRO B 9 -1.529 -8.617 -5.133 1.00 1.01 N ATOM 116 CA PRO B 9 -0.800 -7.613 -4.294 1.00 1.16 C ATOM 117 C PRO B 9 -0.915 -7.859 -2.758 1.00 0.96 C ATOM 118 O PRO B 9 -0.452 -8.863 -2.253 1.00 1.26 O ATOM 119 CB PRO B 9 -1.454 -6.292 -4.731 1.00 1.72 C ATOM 120 CG PRO B 9 -2.829 -6.650 -5.214 1.00 1.86 C ATOM 121 CD PRO B 9 -2.866 -8.136 -5.491 1.00 1.47 C ATOM 0 HA PRO B 9 0.279 -7.647 -4.448 1.00 1.16 H new ATOM 0 HB2 PRO B 9 -1.503 -5.588 -3.900 1.00 1.72 H new ATOM 0 HB3 PRO B 9 -0.876 -5.813 -5.521 1.00 1.72 H new ATOM 0 HG2 PRO B 9 -3.575 -6.385 -4.465 1.00 1.86 H new ATOM 0 HG3 PRO B 9 -3.072 -6.090 -6.117 1.00 1.86 H new ATOM 0 HD2 PRO B 9 -3.636 -8.630 -4.898 1.00 1.47 H new ATOM 0 HD3 PRO B 9 -3.092 -8.338 -6.538 1.00 1.47 H new HETATM 129 N PTR B 10 -1.473 -6.926 -2.006 1.00 0.94 N HETATM 130 CA PTR B 10 -1.554 -7.088 -0.519 1.00 0.90 C HETATM 131 C PTR B 10 -2.982 -7.426 -0.079 1.00 1.19 C HETATM 132 O PTR B 10 -3.862 -6.588 -0.086 1.00 1.70 O HETATM 133 CB PTR B 10 -1.123 -5.726 0.024 1.00 0.95 C HETATM 134 CG PTR B 10 0.304 -5.806 0.504 1.00 0.85 C HETATM 135 CD1 PTR B 10 0.573 -6.340 1.759 1.00 1.05 C HETATM 136 CD2 PTR B 10 1.351 -5.333 -0.292 1.00 0.94 C HETATM 137 CE1 PTR B 10 1.882 -6.406 2.234 1.00 1.35 C HETATM 138 CE2 PTR B 10 2.670 -5.403 0.179 1.00 1.23 C HETATM 139 CZ PTR B 10 2.937 -5.939 1.445 1.00 1.44 C HETATM 140 OH PTR B 10 4.240 -5.993 1.913 1.00 1.89 O HETATM 141 P PTR B 10 4.786 -7.308 2.565 1.00 1.87 P HETATM 142 O1P PTR B 10 6.139 -7.522 1.852 1.00 2.52 O HETATM 143 O2P PTR B 10 3.817 -8.435 2.110 1.00 2.12 O HETATM 144 O3P PTR B 10 4.867 -7.071 4.136 1.00 2.60 O HETATM 0 HE2 PTR B 10 3.489 -5.039 -0.442 1.00 1.23 H new HETATM 0 HE1 PTR B 10 2.083 -6.822 3.221 1.00 1.35 H new HETATM 0 HD2 PTR B 10 1.143 -4.911 -1.275 1.00 0.94 H new HETATM 0 HD1 PTR B 10 -0.246 -6.710 2.376 1.00 1.05 H new HETATM 0 HB3 PTR B 10 -1.215 -4.967 -0.753 1.00 0.95 H new HETATM 0 HB2 PTR B 10 -1.777 -5.425 0.842 1.00 0.95 H new HETATM 0 HA PTR B 10 -0.930 -7.903 -0.152 1.00 0.90 H new ATOM 154 N ALA B 11 -3.212 -8.661 0.275 1.00 1.26 N ATOM 155 CA ALA B 11 -4.586 -9.095 0.676 1.00 1.61 C ATOM 156 C ALA B 11 -4.763 -9.272 2.203 1.00 1.61 C ATOM 157 O ALA B 11 -5.820 -8.974 2.733 1.00 1.91 O ATOM 158 CB ALA B 11 -4.755 -10.437 -0.039 1.00 2.00 C ATOM 0 H ALA B 11 -2.504 -9.395 0.305 1.00 1.26 H new ATOM 0 HA ALA B 11 -5.329 -8.344 0.407 1.00 1.61 H new ATOM 0 HB1 ALA B 11 -5.738 -10.849 0.188 1.00 2.00 H new ATOM 0 HB2 ALA B 11 -4.663 -10.290 -1.115 1.00 2.00 H new ATOM 0 HB3 ALA B 11 -3.985 -11.129 0.300 1.00 2.00 H new ATOM 164 N ASP B 12 -3.780 -9.785 2.908 1.00 1.98 N ATOM 165 CA ASP B 12 -3.963 -10.011 4.385 1.00 2.17 C ATOM 166 C ASP B 12 -3.087 -9.082 5.237 1.00 1.67 C ATOM 167 O ASP B 12 -2.050 -8.625 4.789 1.00 1.42 O ATOM 168 CB ASP B 12 -3.497 -11.460 4.643 1.00 2.67 C ATOM 169 CG ASP B 12 -3.992 -12.415 3.556 1.00 3.58 C ATOM 170 OD1 ASP B 12 -5.072 -12.957 3.717 1.00 4.02 O ATOM 171 OD2 ASP B 12 -3.267 -12.604 2.591 1.00 4.22 O ATOM 0 H ASP B 12 -2.870 -10.055 2.534 1.00 1.98 H new ATOM 0 HA ASP B 12 -5.001 -9.820 4.656 1.00 2.17 H new ATOM 0 HB2 ASP B 12 -2.408 -11.490 4.686 1.00 2.67 H new ATOM 0 HB3 ASP B 12 -3.863 -11.793 5.614 1.00 2.67 H new ATOM 176 N PRO B 13 -3.488 -8.906 6.483 1.00 1.84 N ATOM 177 CA PRO B 13 -2.660 -8.119 7.426 1.00 1.69 C ATOM 178 C PRO B 13 -1.422 -8.982 7.727 1.00 1.52 C ATOM 179 O PRO B 13 -1.403 -10.154 7.392 1.00 2.06 O ATOM 180 CB PRO B 13 -3.565 -7.940 8.652 1.00 2.29 C ATOM 181 CG PRO B 13 -4.534 -9.081 8.585 1.00 2.65 C ATOM 182 CD PRO B 13 -4.713 -9.422 7.123 1.00 2.46 C ATOM 0 HA PRO B 13 -2.317 -7.148 7.069 1.00 1.69 H new ATOM 0 HB2 PRO B 13 -2.988 -7.965 9.576 1.00 2.29 H new ATOM 0 HB3 PRO B 13 -4.082 -6.981 8.625 1.00 2.29 H new ATOM 0 HG2 PRO B 13 -4.156 -9.941 9.138 1.00 2.65 H new ATOM 0 HG3 PRO B 13 -5.487 -8.805 9.036 1.00 2.65 H new ATOM 0 HD2 PRO B 13 -4.819 -10.497 6.974 1.00 2.46 H new ATOM 0 HD3 PRO B 13 -5.607 -8.953 6.710 1.00 2.46 H new HETATM 190 N GMA B 14 -0.381 -8.454 8.312 1.00 1.54 N HETATM 191 CA GMA B 14 0.822 -9.319 8.558 1.00 1.68 C HETATM 192 C GMA B 14 0.473 -10.545 9.421 1.00 2.37 C HETATM 193 O GMA B 14 0.636 -11.672 9.000 1.00 2.97 O HETATM 194 CB GMA B 14 1.843 -8.444 9.281 1.00 1.97 C HETATM 195 CG GMA B 14 3.039 -9.323 9.690 1.00 2.70 C HETATM 196 CD GMA B 14 3.890 -9.703 8.468 1.00 3.50 C HETATM 197 OE1 GMA B 14 5.061 -9.972 8.663 1.00 3.93 O HETATM 198 OE2 GMA B 14 3.365 -9.734 7.361 1.00 4.13 O HETATM 199 N2 GMA B 14 0.035 -10.371 10.634 1.00 2.97 N HETATM 0 HN2A GMA B 14 -0.075 -9.428 11.006 1.00 2.97 H new HETATM 0 HN1 GMA B 14 -0.199 -11.178 11.213 1.00 2.97 H new HETATM 0 HG3 GMA B 14 3.655 -8.790 10.414 1.00 2.70 H new HETATM 0 HG2 GMA B 14 2.679 -10.227 10.181 1.00 2.70 H new HETATM 0 HB3 GMA B 14 2.174 -7.633 8.632 1.00 1.97 H new HETATM 0 HB2 GMA B 14 1.392 -7.985 10.161 1.00 1.97 H new HETATM 0 HA GMA B 14 1.211 -9.701 7.614 1.00 1.68 H new TER 208 GMA B 14 ATOM 209 N GLY A 1 -12.554 4.979 10.038 1.00 6.76 N ATOM 210 CA GLY A 1 -13.146 4.744 11.397 1.00 6.13 C ATOM 211 C GLY A 1 -12.446 3.529 12.005 1.00 5.20 C ATOM 212 O GLY A 1 -11.245 3.529 12.113 1.00 5.44 O ATOM 0 H1 GLY A 1 -13.012 5.802 9.598 1.00 6.76 H new ATOM 0 H2 GLY A 1 -11.534 5.158 10.130 1.00 6.76 H new ATOM 0 H3 GLY A 1 -12.706 4.139 9.443 1.00 6.76 H new ATOM 0 HA2 GLY A 1 -13.010 5.621 12.030 1.00 6.13 H new ATOM 0 HA3 GLY A 1 -14.219 4.569 11.322 1.00 6.13 H new ATOM 218 N SER A 2 -13.169 2.490 12.378 1.00 4.45 N ATOM 219 CA SER A 2 -12.487 1.267 12.953 1.00 3.82 C ATOM 220 C SER A 2 -11.328 0.838 12.021 1.00 2.81 C ATOM 221 O SER A 2 -10.198 0.747 12.469 1.00 2.94 O ATOM 222 CB SER A 2 -13.572 0.184 13.050 1.00 4.13 C ATOM 223 OG SER A 2 -14.476 0.514 14.100 1.00 4.45 O ATOM 0 H SER A 2 -14.185 2.432 12.312 1.00 4.45 H new ATOM 0 HA SER A 2 -12.051 1.453 13.935 1.00 3.82 H new ATOM 0 HB2 SER A 2 -14.108 0.105 12.104 1.00 4.13 H new ATOM 0 HB3 SER A 2 -13.116 -0.788 13.240 1.00 4.13 H new ATOM 0 HG SER A 2 -15.170 -0.175 14.163 1.00 4.45 H new ATOM 229 N PRO A 3 -11.629 0.666 10.733 1.00 2.39 N ATOM 230 CA PRO A 3 -10.565 0.352 9.750 1.00 2.07 C ATOM 231 C PRO A 3 -9.848 1.699 9.459 1.00 1.53 C ATOM 232 O PRO A 3 -9.343 2.327 10.366 1.00 2.01 O ATOM 233 CB PRO A 3 -11.333 -0.205 8.538 1.00 2.89 C ATOM 234 CG PRO A 3 -12.702 0.384 8.634 1.00 3.31 C ATOM 235 CD PRO A 3 -12.957 0.715 10.092 1.00 3.09 C ATOM 0 HA PRO A 3 -9.808 -0.367 10.062 1.00 2.07 H new ATOM 0 HB2 PRO A 3 -10.849 0.076 7.603 1.00 2.89 H new ATOM 0 HB3 PRO A 3 -11.371 -1.294 8.563 1.00 2.89 H new ATOM 0 HG2 PRO A 3 -12.777 1.281 8.019 1.00 3.31 H new ATOM 0 HG3 PRO A 3 -13.448 -0.319 8.265 1.00 3.31 H new ATOM 0 HD2 PRO A 3 -13.411 1.700 10.199 1.00 3.09 H new ATOM 0 HD3 PRO A 3 -13.641 -0.002 10.546 1.00 3.09 H new ATOM 243 N GLY A 4 -9.814 2.181 8.240 1.00 1.36 N ATOM 244 CA GLY A 4 -9.142 3.509 8.010 1.00 1.08 C ATOM 245 C GLY A 4 -10.028 4.432 7.175 1.00 1.02 C ATOM 246 O GLY A 4 -10.959 5.036 7.684 1.00 1.19 O ATOM 0 H GLY A 4 -10.208 1.732 7.413 1.00 1.36 H new ATOM 0 HA2 GLY A 4 -8.921 3.980 8.968 1.00 1.08 H new ATOM 0 HA3 GLY A 4 -8.190 3.356 7.503 1.00 1.08 H new ATOM 250 N ILE A 5 -9.730 4.546 5.905 1.00 0.89 N ATOM 251 CA ILE A 5 -10.515 5.428 4.974 1.00 1.02 C ATOM 252 C ILE A 5 -10.357 6.924 5.337 1.00 1.16 C ATOM 253 O ILE A 5 -10.091 7.738 4.474 1.00 1.34 O ATOM 254 CB ILE A 5 -11.967 4.920 5.054 1.00 1.19 C ATOM 255 CG1 ILE A 5 -12.082 3.643 4.207 1.00 1.17 C ATOM 256 CG2 ILE A 5 -12.941 5.968 4.508 1.00 1.49 C ATOM 257 CD1 ILE A 5 -11.347 2.490 4.902 1.00 1.02 C ATOM 0 H ILE A 5 -8.956 4.053 5.459 1.00 0.89 H new ATOM 0 HA ILE A 5 -10.154 5.371 3.947 1.00 1.02 H new ATOM 0 HB ILE A 5 -12.219 4.721 6.096 1.00 1.19 H new ATOM 0 HG12 ILE A 5 -13.131 3.384 4.064 1.00 1.17 H new ATOM 0 HG13 ILE A 5 -11.658 3.813 3.217 1.00 1.17 H new ATOM 0 HG21 ILE A 5 -13.960 5.587 4.575 1.00 1.49 H new ATOM 0 HG22 ILE A 5 -12.857 6.883 5.094 1.00 1.49 H new ATOM 0 HG23 ILE A 5 -12.700 6.181 3.466 1.00 1.49 H new ATOM 0 HD11 ILE A 5 -11.432 1.587 4.297 1.00 1.02 H new ATOM 0 HD12 ILE A 5 -10.295 2.749 5.022 1.00 1.02 H new ATOM 0 HD13 ILE A 5 -11.791 2.313 5.882 1.00 1.02 H new ATOM 269 N HIS A 6 -10.487 7.298 6.590 1.00 1.22 N ATOM 270 CA HIS A 6 -10.298 8.741 6.970 1.00 1.46 C ATOM 271 C HIS A 6 -9.037 8.867 7.845 1.00 1.39 C ATOM 272 O HIS A 6 -8.078 9.514 7.472 1.00 1.50 O ATOM 273 CB HIS A 6 -11.562 9.145 7.751 1.00 1.74 C ATOM 274 CG HIS A 6 -12.569 9.784 6.822 1.00 2.17 C ATOM 275 ND1 HIS A 6 -12.773 9.336 5.525 1.00 2.79 N ATOM 276 CD2 HIS A 6 -13.449 10.827 6.998 1.00 2.40 C ATOM 277 CE1 HIS A 6 -13.743 10.094 4.978 1.00 3.25 C ATOM 278 NE2 HIS A 6 -14.189 11.018 5.832 1.00 2.98 N ATOM 0 H HIS A 6 -10.714 6.672 7.363 1.00 1.22 H new ATOM 0 HA HIS A 6 -10.164 9.389 6.104 1.00 1.46 H new ATOM 0 HB2 HIS A 6 -12.001 8.267 8.226 1.00 1.74 H new ATOM 0 HB3 HIS A 6 -11.299 9.841 8.548 1.00 1.74 H new ATOM 0 HD2 HIS A 6 -13.551 11.409 7.902 1.00 2.40 H new ATOM 0 HE1 HIS A 6 -14.114 9.969 3.972 1.00 3.25 H new ATOM 0 HE2 HIS A 6 -14.916 11.715 5.667 1.00 2.98 H new ATOM 286 N GLU A 7 -9.029 8.233 9.002 1.00 1.33 N ATOM 287 CA GLU A 7 -7.819 8.293 9.898 1.00 1.36 C ATOM 288 C GLU A 7 -6.631 7.546 9.260 1.00 1.24 C ATOM 289 O GLU A 7 -5.512 7.656 9.722 1.00 1.33 O ATOM 290 CB GLU A 7 -8.230 7.608 11.216 1.00 1.47 C ATOM 291 CG GLU A 7 -7.308 8.078 12.365 1.00 1.61 C ATOM 292 CD GLU A 7 -6.353 6.955 12.776 1.00 1.97 C ATOM 293 OE1 GLU A 7 -6.833 5.860 13.030 1.00 2.64 O ATOM 294 OE2 GLU A 7 -5.155 7.203 12.818 1.00 2.27 O ATOM 0 H GLU A 7 -9.805 7.679 9.363 1.00 1.33 H new ATOM 0 HA GLU A 7 -7.501 9.323 10.061 1.00 1.36 H new ATOM 0 HB2 GLU A 7 -9.268 7.845 11.451 1.00 1.47 H new ATOM 0 HB3 GLU A 7 -8.167 6.525 11.108 1.00 1.47 H new ATOM 0 HG2 GLU A 7 -6.738 8.951 12.048 1.00 1.61 H new ATOM 0 HG3 GLU A 7 -7.910 8.384 13.221 1.00 1.61 H new ATOM 301 N SER A 8 -6.853 6.780 8.205 1.00 1.24 N ATOM 302 CA SER A 8 -5.710 6.045 7.576 1.00 1.32 C ATOM 303 C SER A 8 -4.867 6.992 6.704 1.00 1.27 C ATOM 304 O SER A 8 -4.788 8.178 6.975 1.00 1.56 O ATOM 305 CB SER A 8 -6.328 4.893 6.773 1.00 1.53 C ATOM 306 OG SER A 8 -6.935 5.382 5.586 1.00 1.78 O ATOM 0 H SER A 8 -7.762 6.638 7.764 1.00 1.24 H new ATOM 0 HA SER A 8 -5.021 5.649 8.322 1.00 1.32 H new ATOM 0 HB2 SER A 8 -5.558 4.164 6.521 1.00 1.53 H new ATOM 0 HB3 SER A 8 -7.070 4.375 7.381 1.00 1.53 H new ATOM 0 HG SER A 8 -7.309 4.633 5.077 1.00 1.78 H new ATOM 312 N LYS A 9 -4.193 6.493 5.694 1.00 1.12 N ATOM 313 CA LYS A 9 -3.325 7.408 4.883 1.00 1.30 C ATOM 314 C LYS A 9 -3.149 6.971 3.410 1.00 1.24 C ATOM 315 O LYS A 9 -3.127 7.809 2.516 1.00 2.06 O ATOM 316 CB LYS A 9 -1.978 7.350 5.600 1.00 1.68 C ATOM 317 CG LYS A 9 -0.900 8.081 4.769 1.00 1.99 C ATOM 318 CD LYS A 9 -1.325 9.546 4.568 1.00 2.35 C ATOM 319 CE LYS A 9 -0.646 10.185 3.334 1.00 3.36 C ATOM 320 NZ LYS A 9 -1.104 9.430 2.116 1.00 4.00 N ATOM 0 H LYS A 9 -4.204 5.516 5.401 1.00 1.12 H new ATOM 0 HA LYS A 9 -3.770 8.401 4.821 1.00 1.30 H new ATOM 0 HB2 LYS A 9 -2.062 7.809 6.585 1.00 1.68 H new ATOM 0 HB3 LYS A 9 -1.685 6.312 5.756 1.00 1.68 H new ATOM 0 HG2 LYS A 9 0.062 8.035 5.279 1.00 1.99 H new ATOM 0 HG3 LYS A 9 -0.773 7.591 3.804 1.00 1.99 H new ATOM 0 HD2 LYS A 9 -2.408 9.596 4.452 1.00 2.35 H new ATOM 0 HD3 LYS A 9 -1.073 10.122 5.459 1.00 2.35 H new ATOM 0 HE2 LYS A 9 -0.913 11.239 3.253 1.00 3.36 H new ATOM 0 HE3 LYS A 9 0.439 10.138 3.427 1.00 3.36 H new ATOM 0 HZ1 LYS A 9 -1.049 10.050 1.283 1.00 4.00 H new ATOM 0 HZ2 LYS A 9 -0.493 8.601 1.972 1.00 4.00 H new ATOM 0 HZ3 LYS A 9 -2.087 9.117 2.251 1.00 4.00 H new ATOM 334 N GLU A 10 -2.974 5.699 3.134 1.00 0.93 N ATOM 335 CA GLU A 10 -2.756 5.290 1.704 1.00 0.94 C ATOM 336 C GLU A 10 -4.074 5.052 0.967 1.00 0.94 C ATOM 337 O GLU A 10 -4.294 4.021 0.361 1.00 1.16 O ATOM 338 CB GLU A 10 -1.893 4.028 1.740 1.00 1.10 C ATOM 339 CG GLU A 10 -0.573 4.296 0.998 1.00 1.21 C ATOM 340 CD GLU A 10 -0.035 5.679 1.376 1.00 2.19 C ATOM 341 OE1 GLU A 10 0.192 5.902 2.556 1.00 2.84 O ATOM 342 OE2 GLU A 10 0.118 6.496 0.483 1.00 2.87 O ATOM 0 H GLU A 10 -2.972 4.941 3.817 1.00 0.93 H new ATOM 0 HA GLU A 10 -2.258 6.086 1.150 1.00 0.94 H new ATOM 0 HB2 GLU A 10 -1.692 3.740 2.772 1.00 1.10 H new ATOM 0 HB3 GLU A 10 -2.423 3.197 1.275 1.00 1.10 H new ATOM 0 HG2 GLU A 10 0.159 3.529 1.252 1.00 1.21 H new ATOM 0 HG3 GLU A 10 -0.733 4.240 -0.079 1.00 1.21 H new ATOM 349 N TRP A 11 -4.923 6.035 0.971 1.00 0.89 N ATOM 350 CA TRP A 11 -6.207 5.933 0.225 1.00 1.17 C ATOM 351 C TRP A 11 -6.073 6.726 -1.096 1.00 1.25 C ATOM 352 O TRP A 11 -7.040 7.008 -1.776 1.00 1.69 O ATOM 353 CB TRP A 11 -7.256 6.546 1.169 1.00 1.41 C ATOM 354 CG TRP A 11 -6.896 7.954 1.543 1.00 1.53 C ATOM 355 CD1 TRP A 11 -6.311 8.323 2.709 1.00 2.02 C ATOM 356 CD2 TRP A 11 -7.101 9.181 0.784 1.00 1.74 C ATOM 357 NE1 TRP A 11 -6.148 9.699 2.712 1.00 2.50 N ATOM 358 CE2 TRP A 11 -6.617 10.271 1.545 1.00 2.34 C ATOM 359 CE3 TRP A 11 -7.650 9.451 -0.482 1.00 1.81 C ATOM 360 CZ2 TRP A 11 -6.687 11.581 1.068 1.00 2.82 C ATOM 361 CZ3 TRP A 11 -7.719 10.764 -0.965 1.00 2.30 C ATOM 362 CH2 TRP A 11 -7.236 11.828 -0.192 1.00 2.75 C ATOM 0 H TRP A 11 -4.783 6.917 1.465 1.00 0.89 H new ATOM 0 HA TRP A 11 -6.485 4.914 -0.046 1.00 1.17 H new ATOM 0 HB2 TRP A 11 -8.233 6.534 0.687 1.00 1.41 H new ATOM 0 HB3 TRP A 11 -7.338 5.938 2.070 1.00 1.41 H new ATOM 0 HD1 TRP A 11 -6.020 7.654 3.505 1.00 2.02 H new ATOM 0 HE1 TRP A 11 -5.733 10.225 3.481 1.00 2.50 H new ATOM 0 HE3 TRP A 11 -8.022 8.638 -1.088 1.00 1.81 H new ATOM 0 HZ2 TRP A 11 -6.319 12.399 1.670 1.00 2.82 H new ATOM 0 HZ3 TRP A 11 -8.147 10.957 -1.938 1.00 2.30 H new ATOM 0 HH2 TRP A 11 -7.288 12.838 -0.570 1.00 2.75 H new ATOM 373 N TYR A 12 -4.852 7.085 -1.445 1.00 1.10 N ATOM 374 CA TYR A 12 -4.577 7.875 -2.689 1.00 1.34 C ATOM 375 C TYR A 12 -4.458 6.958 -3.924 1.00 1.05 C ATOM 376 O TYR A 12 -3.417 6.893 -4.547 1.00 1.27 O ATOM 377 CB TYR A 12 -3.218 8.532 -2.382 1.00 1.85 C ATOM 378 CG TYR A 12 -2.994 9.800 -3.181 1.00 2.15 C ATOM 379 CD1 TYR A 12 -3.671 10.052 -4.387 1.00 3.15 C ATOM 380 CD2 TYR A 12 -2.062 10.731 -2.714 1.00 2.24 C ATOM 381 CE1 TYR A 12 -3.421 11.229 -5.104 1.00 3.87 C ATOM 382 CE2 TYR A 12 -1.811 11.903 -3.431 1.00 3.05 C ATOM 383 CZ TYR A 12 -2.487 12.159 -4.628 1.00 3.73 C ATOM 384 OH TYR A 12 -2.229 13.312 -5.336 1.00 4.68 O ATOM 0 H TYR A 12 -4.019 6.856 -0.904 1.00 1.10 H new ATOM 0 HA TYR A 12 -5.370 8.585 -2.923 1.00 1.34 H new ATOM 0 HB2 TYR A 12 -3.161 8.762 -1.318 1.00 1.85 H new ATOM 0 HB3 TYR A 12 -2.418 7.824 -2.598 1.00 1.85 H new ATOM 0 HD1 TYR A 12 -4.387 9.335 -4.762 1.00 3.15 H new ATOM 0 HD2 TYR A 12 -1.532 10.543 -1.792 1.00 2.24 H new ATOM 0 HE1 TYR A 12 -3.949 11.420 -6.026 1.00 3.87 H new ATOM 0 HE2 TYR A 12 -1.090 12.616 -3.059 1.00 3.05 H new ATOM 0 HH TYR A 12 -1.556 13.844 -4.861 1.00 4.68 H new ATOM 394 N HIS A 13 -5.501 6.258 -4.300 1.00 0.82 N ATOM 395 CA HIS A 13 -5.392 5.372 -5.507 1.00 0.79 C ATOM 396 C HIS A 13 -6.143 5.981 -6.711 1.00 0.80 C ATOM 397 O HIS A 13 -7.045 5.381 -7.276 1.00 1.00 O ATOM 398 CB HIS A 13 -5.977 4.007 -5.086 1.00 0.84 C ATOM 399 CG HIS A 13 -7.425 4.128 -4.674 1.00 1.09 C ATOM 400 ND1 HIS A 13 -8.414 4.553 -5.548 1.00 1.60 N ATOM 401 CD2 HIS A 13 -8.068 3.842 -3.498 1.00 1.94 C ATOM 402 CE1 HIS A 13 -9.585 4.504 -4.897 1.00 2.06 C ATOM 403 NE2 HIS A 13 -9.428 4.078 -3.641 1.00 2.24 N ATOM 0 H HIS A 13 -6.409 6.259 -3.835 1.00 0.82 H new ATOM 0 HA HIS A 13 -4.358 5.261 -5.834 1.00 0.79 H new ATOM 0 HB2 HIS A 13 -5.891 3.302 -5.913 1.00 0.84 H new ATOM 0 HB3 HIS A 13 -5.395 3.600 -4.259 1.00 0.84 H new ATOM 0 HD1 HIS A 13 -8.275 4.850 -6.514 1.00 1.60 H new ATOM 0 HD2 HIS A 13 -7.589 3.487 -2.597 1.00 1.94 H new ATOM 0 HE1 HIS A 13 -10.535 4.775 -5.333 1.00 2.06 H new ATOM 411 N ALA A 14 -5.768 7.168 -7.126 1.00 0.95 N ATOM 412 CA ALA A 14 -6.467 7.789 -8.292 1.00 1.04 C ATOM 413 C ALA A 14 -5.485 8.330 -9.352 1.00 1.37 C ATOM 414 O ALA A 14 -5.355 7.753 -10.415 1.00 2.19 O ATOM 415 CB ALA A 14 -7.320 8.914 -7.694 1.00 1.05 C ATOM 0 H ALA A 14 -5.020 7.725 -6.714 1.00 0.95 H new ATOM 0 HA ALA A 14 -7.070 7.053 -8.824 1.00 1.04 H new ATOM 0 HB1 ALA A 14 -7.866 9.420 -8.491 1.00 1.05 H new ATOM 0 HB2 ALA A 14 -8.028 8.494 -6.980 1.00 1.05 H new ATOM 0 HB3 ALA A 14 -6.674 9.630 -7.186 1.00 1.05 H new ATOM 421 N SER A 15 -4.827 9.448 -9.113 1.00 1.23 N ATOM 422 CA SER A 15 -3.917 10.000 -10.177 1.00 1.71 C ATOM 423 C SER A 15 -2.520 10.375 -9.658 1.00 1.50 C ATOM 424 O SER A 15 -2.283 11.486 -9.222 1.00 1.92 O ATOM 425 CB SER A 15 -4.636 11.250 -10.699 1.00 2.41 C ATOM 426 OG SER A 15 -4.815 11.145 -12.110 1.00 3.25 O ATOM 0 H SER A 15 -4.878 9.990 -8.250 1.00 1.23 H new ATOM 0 HA SER A 15 -3.738 9.246 -10.944 1.00 1.71 H new ATOM 0 HB2 SER A 15 -5.602 11.358 -10.207 1.00 2.41 H new ATOM 0 HB3 SER A 15 -4.056 12.142 -10.461 1.00 2.41 H new ATOM 0 HG SER A 15 -5.276 11.944 -12.442 1.00 3.25 H new ATOM 432 N LEU A 16 -1.584 9.470 -9.762 1.00 1.21 N ATOM 433 CA LEU A 16 -0.180 9.773 -9.344 1.00 1.09 C ATOM 434 C LEU A 16 0.786 9.103 -10.347 1.00 1.02 C ATOM 435 O LEU A 16 0.404 8.813 -11.467 1.00 1.12 O ATOM 436 CB LEU A 16 -0.039 9.209 -7.919 1.00 0.93 C ATOM 437 CG LEU A 16 0.023 7.684 -7.943 1.00 0.71 C ATOM 438 CD1 LEU A 16 1.146 7.211 -7.018 1.00 0.87 C ATOM 439 CD2 LEU A 16 -1.308 7.116 -7.451 1.00 0.59 C ATOM 0 H LEU A 16 -1.731 8.527 -10.121 1.00 1.21 H new ATOM 0 HA LEU A 16 0.055 10.837 -9.341 1.00 1.09 H new ATOM 0 HB2 LEU A 16 0.863 9.607 -7.453 1.00 0.93 H new ATOM 0 HB3 LEU A 16 -0.882 9.534 -7.310 1.00 0.93 H new ATOM 0 HG LEU A 16 0.214 7.341 -8.960 1.00 0.71 H new ATOM 0 HD11 LEU A 16 1.194 6.122 -7.032 1.00 0.87 H new ATOM 0 HD12 LEU A 16 2.096 7.621 -7.360 1.00 0.87 H new ATOM 0 HD13 LEU A 16 0.949 7.553 -6.002 1.00 0.87 H new ATOM 0 HD21 LEU A 16 -1.267 6.027 -7.467 1.00 0.59 H new ATOM 0 HD22 LEU A 16 -1.495 7.457 -6.433 1.00 0.59 H new ATOM 0 HD23 LEU A 16 -2.113 7.458 -8.102 1.00 0.59 H new ATOM 451 N THR A 17 2.014 8.841 -9.973 1.00 0.91 N ATOM 452 CA THR A 17 2.954 8.172 -10.938 1.00 0.89 C ATOM 453 C THR A 17 2.696 6.657 -10.942 1.00 0.78 C ATOM 454 O THR A 17 1.967 6.152 -10.117 1.00 0.78 O ATOM 455 CB THR A 17 4.367 8.476 -10.430 1.00 0.91 C ATOM 456 OG1 THR A 17 4.391 8.370 -9.017 1.00 0.88 O ATOM 457 CG2 THR A 17 4.776 9.892 -10.839 1.00 1.07 C ATOM 0 H THR A 17 2.406 9.056 -9.056 1.00 0.91 H new ATOM 0 HA THR A 17 2.818 8.532 -11.958 1.00 0.89 H new ATOM 0 HB THR A 17 5.065 7.762 -10.866 1.00 0.91 H new ATOM 0 HG1 THR A 17 5.310 8.484 -8.696 1.00 0.88 H new ATOM 0 HG21 THR A 17 5.782 10.100 -10.474 1.00 1.07 H new ATOM 0 HG22 THR A 17 4.760 9.976 -11.926 1.00 1.07 H new ATOM 0 HG23 THR A 17 4.078 10.611 -10.409 1.00 1.07 H new ATOM 465 N ARG A 18 3.269 5.928 -11.871 1.00 0.78 N ATOM 466 CA ARG A 18 3.023 4.442 -11.916 1.00 0.74 C ATOM 467 C ARG A 18 4.204 3.662 -11.274 1.00 0.63 C ATOM 468 O ARG A 18 4.627 3.995 -10.183 1.00 0.56 O ATOM 469 CB ARG A 18 2.855 4.117 -13.408 1.00 0.89 C ATOM 470 CG ARG A 18 1.697 4.946 -13.998 1.00 1.28 C ATOM 471 CD ARG A 18 1.892 5.176 -15.517 1.00 1.91 C ATOM 472 NE ARG A 18 2.478 3.904 -16.078 1.00 2.36 N ATOM 473 CZ ARG A 18 2.124 3.477 -17.257 1.00 2.83 C ATOM 474 NH1 ARG A 18 0.896 3.129 -17.489 1.00 3.45 N ATOM 475 NH2 ARG A 18 3.012 3.380 -18.200 1.00 3.27 N ATOM 0 H ARG A 18 3.891 6.289 -12.595 1.00 0.78 H new ATOM 0 HA ARG A 18 2.143 4.147 -11.345 1.00 0.74 H new ATOM 0 HB2 ARG A 18 3.779 4.335 -13.943 1.00 0.89 H new ATOM 0 HB3 ARG A 18 2.655 3.053 -13.537 1.00 0.89 H new ATOM 0 HG2 ARG A 18 0.752 4.432 -13.824 1.00 1.28 H new ATOM 0 HG3 ARG A 18 1.636 5.907 -13.487 1.00 1.28 H new ATOM 0 HD2 ARG A 18 0.942 5.409 -15.998 1.00 1.91 H new ATOM 0 HD3 ARG A 18 2.557 6.021 -15.698 1.00 1.91 H new ATOM 0 HE ARG A 18 3.156 3.374 -15.530 1.00 2.36 H new ATOM 0 HH11 ARG A 18 0.200 3.189 -16.746 1.00 3.45 H new ATOM 0 HH12 ARG A 18 0.627 2.796 -18.415 1.00 3.45 H new ATOM 0 HH21 ARG A 18 3.982 3.638 -18.016 1.00 3.27 H new ATOM 0 HH22 ARG A 18 2.740 3.046 -19.125 1.00 3.27 H new ATOM 489 N ALA A 19 4.725 2.624 -11.924 1.00 0.68 N ATOM 490 CA ALA A 19 5.870 1.826 -11.335 1.00 0.66 C ATOM 491 C ALA A 19 6.846 2.746 -10.597 1.00 0.58 C ATOM 492 O ALA A 19 7.323 2.441 -9.516 1.00 0.56 O ATOM 493 CB ALA A 19 6.570 1.182 -12.535 1.00 0.79 C ATOM 0 H ALA A 19 4.404 2.299 -12.836 1.00 0.68 H new ATOM 0 HA ALA A 19 5.517 1.088 -10.615 1.00 0.66 H new ATOM 0 HB1 ALA A 19 7.413 0.586 -12.187 1.00 0.79 H new ATOM 0 HB2 ALA A 19 5.866 0.541 -13.066 1.00 0.79 H new ATOM 0 HB3 ALA A 19 6.929 1.961 -13.208 1.00 0.79 H new ATOM 499 N GLN A 20 7.114 3.875 -11.193 1.00 0.61 N ATOM 500 CA GLN A 20 8.027 4.898 -10.601 1.00 0.62 C ATOM 501 C GLN A 20 7.736 5.111 -9.105 1.00 0.56 C ATOM 502 O GLN A 20 8.600 4.916 -8.268 1.00 0.56 O ATOM 503 CB GLN A 20 7.686 6.157 -11.412 1.00 0.71 C ATOM 504 CG GLN A 20 8.574 7.345 -11.013 1.00 1.47 C ATOM 505 CD GLN A 20 8.234 8.546 -11.911 1.00 2.33 C ATOM 506 OE1 GLN A 20 7.083 8.829 -12.154 1.00 2.83 O ATOM 507 NE2 GLN A 20 9.189 9.272 -12.419 1.00 3.06 N ATOM 0 H GLN A 20 6.724 4.140 -12.098 1.00 0.61 H new ATOM 0 HA GLN A 20 9.079 4.617 -10.650 1.00 0.62 H new ATOM 0 HB2 GLN A 20 7.810 5.950 -12.475 1.00 0.71 H new ATOM 0 HB3 GLN A 20 6.639 6.417 -11.258 1.00 0.71 H new ATOM 0 HG2 GLN A 20 8.413 7.600 -9.966 1.00 1.47 H new ATOM 0 HG3 GLN A 20 9.626 7.081 -11.119 1.00 1.47 H new ATOM 0 HE21 GLN A 20 10.163 9.044 -12.222 1.00 3.06 H new ATOM 0 HE22 GLN A 20 8.962 10.069 -13.014 1.00 3.06 H new ATOM 516 N ALA A 21 6.532 5.515 -8.764 1.00 0.58 N ATOM 517 CA ALA A 21 6.198 5.754 -7.324 1.00 0.63 C ATOM 518 C ALA A 21 6.463 4.497 -6.483 1.00 0.63 C ATOM 519 O ALA A 21 7.080 4.567 -5.432 1.00 0.63 O ATOM 520 CB ALA A 21 4.709 6.119 -7.299 1.00 0.75 C ATOM 0 H ALA A 21 5.770 5.688 -9.420 1.00 0.58 H new ATOM 0 HA ALA A 21 6.814 6.546 -6.898 1.00 0.63 H new ATOM 0 HB1 ALA A 21 4.398 6.307 -6.271 1.00 0.75 H new ATOM 0 HB2 ALA A 21 4.544 7.015 -7.898 1.00 0.75 H new ATOM 0 HB3 ALA A 21 4.125 5.295 -7.710 1.00 0.75 H new ATOM 526 N GLU A 22 6.011 3.351 -6.933 1.00 0.68 N ATOM 527 CA GLU A 22 6.250 2.097 -6.149 1.00 0.76 C ATOM 528 C GLU A 22 7.747 1.790 -6.104 1.00 0.69 C ATOM 529 O GLU A 22 8.305 1.613 -5.042 1.00 0.74 O ATOM 530 CB GLU A 22 5.482 0.996 -6.873 1.00 0.92 C ATOM 531 CG GLU A 22 4.000 1.043 -6.461 1.00 1.15 C ATOM 532 CD GLU A 22 3.545 -0.356 -6.042 1.00 1.93 C ATOM 533 OE1 GLU A 22 4.301 -1.014 -5.348 1.00 2.48 O ATOM 534 OE2 GLU A 22 2.459 -0.744 -6.426 1.00 2.61 O ATOM 0 H GLU A 22 5.491 3.229 -7.802 1.00 0.68 H new ATOM 0 HA GLU A 22 5.913 2.188 -5.116 1.00 0.76 H new ATOM 0 HB2 GLU A 22 5.574 1.123 -7.952 1.00 0.92 H new ATOM 0 HB3 GLU A 22 5.907 0.022 -6.630 1.00 0.92 H new ATOM 0 HG2 GLU A 22 3.862 1.744 -5.638 1.00 1.15 H new ATOM 0 HG3 GLU A 22 3.392 1.402 -7.291 1.00 1.15 H new ATOM 541 N HIS A 23 8.417 1.765 -7.239 1.00 0.64 N ATOM 542 CA HIS A 23 9.896 1.520 -7.219 1.00 0.67 C ATOM 543 C HIS A 23 10.514 2.487 -6.200 1.00 0.63 C ATOM 544 O HIS A 23 11.272 2.098 -5.329 1.00 0.69 O ATOM 545 CB HIS A 23 10.382 1.852 -8.634 1.00 0.73 C ATOM 546 CG HIS A 23 10.982 0.633 -9.283 1.00 1.08 C ATOM 547 ND1 HIS A 23 10.239 -0.205 -10.104 1.00 1.98 N ATOM 548 CD2 HIS A 23 12.256 0.111 -9.268 1.00 1.50 C ATOM 549 CE1 HIS A 23 11.062 -1.176 -10.547 1.00 2.37 C ATOM 550 NE2 HIS A 23 12.303 -1.031 -10.069 1.00 2.02 N ATOM 0 H HIS A 23 8.008 1.902 -8.163 1.00 0.64 H new ATOM 0 HA HIS A 23 10.165 0.500 -6.944 1.00 0.67 H new ATOM 0 HB2 HIS A 23 9.550 2.219 -9.234 1.00 0.73 H new ATOM 0 HB3 HIS A 23 11.122 2.651 -8.593 1.00 0.73 H new ATOM 0 HD2 HIS A 23 13.091 0.522 -8.720 1.00 1.50 H new ATOM 0 HE1 HIS A 23 10.757 -1.974 -11.208 1.00 2.37 H new ATOM 0 HE2 HIS A 23 13.110 -1.627 -10.251 1.00 2.02 H new ATOM 558 N MET A 24 10.140 3.749 -6.289 1.00 0.57 N ATOM 559 CA MET A 24 10.637 4.774 -5.319 1.00 0.60 C ATOM 560 C MET A 24 10.290 4.318 -3.898 1.00 0.59 C ATOM 561 O MET A 24 11.152 4.210 -3.054 1.00 0.64 O ATOM 562 CB MET A 24 9.882 6.069 -5.703 1.00 0.62 C ATOM 563 CG MET A 24 9.645 6.969 -4.476 1.00 0.91 C ATOM 564 SD MET A 24 9.073 8.597 -5.028 1.00 1.20 S ATOM 565 CE MET A 24 8.900 9.365 -3.394 1.00 1.97 C ATOM 0 H MET A 24 9.505 4.110 -7.001 1.00 0.57 H new ATOM 0 HA MET A 24 11.716 4.924 -5.351 1.00 0.60 H new ATOM 0 HB2 MET A 24 10.454 6.616 -6.452 1.00 0.62 H new ATOM 0 HB3 MET A 24 8.925 5.812 -6.158 1.00 0.62 H new ATOM 0 HG2 MET A 24 8.906 6.516 -3.816 1.00 0.91 H new ATOM 0 HG3 MET A 24 10.566 7.070 -3.902 1.00 0.91 H new ATOM 0 HE1 MET A 24 8.551 10.391 -3.509 1.00 1.97 H new ATOM 0 HE2 MET A 24 8.179 8.801 -2.802 1.00 1.97 H new ATOM 0 HE3 MET A 24 9.865 9.365 -2.888 1.00 1.97 H new ATOM 575 N LEU A 25 9.033 4.035 -3.640 1.00 0.56 N ATOM 576 CA LEU A 25 8.629 3.578 -2.271 1.00 0.59 C ATOM 577 C LEU A 25 9.338 2.260 -1.907 1.00 0.60 C ATOM 578 O LEU A 25 9.873 2.122 -0.828 1.00 0.64 O ATOM 579 CB LEU A 25 7.110 3.375 -2.337 1.00 0.61 C ATOM 580 CG LEU A 25 6.321 4.617 -1.865 1.00 0.88 C ATOM 581 CD1 LEU A 25 5.493 4.231 -0.644 1.00 1.57 C ATOM 582 CD2 LEU A 25 7.229 5.798 -1.485 1.00 1.64 C ATOM 0 H LEU A 25 8.272 4.101 -4.316 1.00 0.56 H new ATOM 0 HA LEU A 25 8.906 4.304 -1.506 1.00 0.59 H new ATOM 0 HB2 LEU A 25 6.824 3.136 -3.361 1.00 0.61 H new ATOM 0 HB3 LEU A 25 6.835 2.519 -1.721 1.00 0.61 H new ATOM 0 HG LEU A 25 5.695 4.941 -2.697 1.00 0.88 H new ATOM 0 HD11 LEU A 25 4.929 5.097 -0.298 1.00 1.57 H new ATOM 0 HD12 LEU A 25 4.802 3.432 -0.911 1.00 1.57 H new ATOM 0 HD13 LEU A 25 6.155 3.888 0.151 1.00 1.57 H new ATOM 0 HD21 LEU A 25 6.616 6.639 -1.162 1.00 1.64 H new ATOM 0 HD22 LEU A 25 7.893 5.500 -0.673 1.00 1.64 H new ATOM 0 HD23 LEU A 25 7.823 6.093 -2.350 1.00 1.64 H new ATOM 594 N MET A 26 9.352 1.298 -2.787 1.00 0.62 N ATOM 595 CA MET A 26 10.034 0.005 -2.468 1.00 0.65 C ATOM 596 C MET A 26 11.550 0.206 -2.286 1.00 0.66 C ATOM 597 O MET A 26 12.175 -0.451 -1.470 1.00 0.71 O ATOM 598 CB MET A 26 9.752 -0.898 -3.673 1.00 0.68 C ATOM 599 CG MET A 26 10.397 -2.271 -3.448 1.00 1.05 C ATOM 600 SD MET A 26 11.393 -2.738 -4.889 1.00 2.56 S ATOM 601 CE MET A 26 10.176 -3.821 -5.681 1.00 3.02 C ATOM 0 H MET A 26 8.923 1.347 -3.711 1.00 0.62 H new ATOM 0 HA MET A 26 9.669 -0.424 -1.535 1.00 0.65 H new ATOM 0 HB2 MET A 26 8.677 -1.009 -3.814 1.00 0.68 H new ATOM 0 HB3 MET A 26 10.147 -0.444 -4.581 1.00 0.68 H new ATOM 0 HG2 MET A 26 11.024 -2.245 -2.557 1.00 1.05 H new ATOM 0 HG3 MET A 26 9.624 -3.020 -3.273 1.00 1.05 H new ATOM 0 HE1 MET A 26 10.691 -4.631 -6.198 1.00 3.02 H new ATOM 0 HE2 MET A 26 9.512 -4.238 -4.923 1.00 3.02 H new ATOM 0 HE3 MET A 26 9.591 -3.247 -6.399 1.00 3.02 H new ATOM 611 N ARG A 27 12.152 1.092 -3.049 1.00 0.65 N ATOM 612 CA ARG A 27 13.636 1.312 -2.932 1.00 0.69 C ATOM 613 C ARG A 27 13.999 2.407 -1.915 1.00 0.71 C ATOM 614 O ARG A 27 15.171 2.692 -1.715 1.00 0.77 O ATOM 615 CB ARG A 27 14.083 1.739 -4.337 1.00 0.74 C ATOM 616 CG ARG A 27 13.742 3.224 -4.569 1.00 0.76 C ATOM 617 CD ARG A 27 15.031 4.062 -4.619 1.00 1.04 C ATOM 618 NE ARG A 27 14.973 4.980 -3.428 1.00 1.80 N ATOM 619 CZ ARG A 27 16.076 5.410 -2.869 1.00 2.23 C ATOM 620 NH1 ARG A 27 16.710 4.648 -2.032 1.00 2.85 N ATOM 621 NH2 ARG A 27 16.529 6.598 -3.148 1.00 2.58 N ATOM 0 H ARG A 27 11.683 1.671 -3.746 1.00 0.65 H new ATOM 0 HA ARG A 27 14.128 0.407 -2.576 1.00 0.69 H new ATOM 0 HB2 ARG A 27 15.156 1.582 -4.450 1.00 0.74 H new ATOM 0 HB3 ARG A 27 13.589 1.122 -5.088 1.00 0.74 H new ATOM 0 HG2 ARG A 27 13.190 3.337 -5.502 1.00 0.76 H new ATOM 0 HG3 ARG A 27 13.095 3.586 -3.770 1.00 0.76 H new ATOM 0 HD2 ARG A 27 15.914 3.424 -4.577 1.00 1.04 H new ATOM 0 HD3 ARG A 27 15.092 4.630 -5.547 1.00 1.04 H new ATOM 0 HE ARG A 27 14.069 5.269 -3.054 1.00 1.80 H new ATOM 0 HH11 ARG A 27 16.349 3.720 -1.813 1.00 2.85 H new ATOM 0 HH12 ARG A 27 17.570 4.977 -1.593 1.00 2.85 H new ATOM 0 HH21 ARG A 27 16.024 7.195 -3.803 1.00 2.58 H new ATOM 0 HH22 ARG A 27 17.388 6.932 -2.712 1.00 2.58 H new ATOM 635 N VAL A 28 13.030 3.049 -1.294 1.00 0.72 N ATOM 636 CA VAL A 28 13.376 4.139 -0.322 1.00 0.81 C ATOM 637 C VAL A 28 14.358 3.638 0.737 1.00 0.81 C ATOM 638 O VAL A 28 14.570 2.448 0.895 1.00 0.80 O ATOM 639 CB VAL A 28 12.081 4.591 0.370 1.00 0.90 C ATOM 640 CG1 VAL A 28 11.181 5.328 -0.613 1.00 1.05 C ATOM 641 CG2 VAL A 28 11.334 3.395 0.950 1.00 0.92 C ATOM 0 H VAL A 28 12.033 2.869 -1.416 1.00 0.72 H new ATOM 0 HA VAL A 28 13.844 4.964 -0.860 1.00 0.81 H new ATOM 0 HB VAL A 28 12.351 5.266 1.182 1.00 0.90 H new ATOM 0 HG11 VAL A 28 10.268 5.641 -0.106 1.00 1.05 H new ATOM 0 HG12 VAL A 28 11.702 6.205 -0.996 1.00 1.05 H new ATOM 0 HG13 VAL A 28 10.927 4.666 -1.441 1.00 1.05 H new ATOM 0 HG21 VAL A 28 10.420 3.737 1.435 1.00 0.92 H new ATOM 0 HG22 VAL A 28 11.081 2.701 0.149 1.00 0.92 H new ATOM 0 HG23 VAL A 28 11.966 2.891 1.681 1.00 0.92 H new ATOM 651 N PRO A 29 14.922 4.580 1.434 1.00 0.87 N ATOM 652 CA PRO A 29 15.891 4.260 2.513 1.00 0.93 C ATOM 653 C PRO A 29 15.210 3.561 3.716 1.00 0.97 C ATOM 654 O PRO A 29 15.617 2.483 4.120 1.00 1.25 O ATOM 655 CB PRO A 29 16.445 5.635 2.891 1.00 1.01 C ATOM 656 CG PRO A 29 15.393 6.613 2.473 1.00 1.00 C ATOM 657 CD PRO A 29 14.713 6.028 1.280 1.00 0.94 C ATOM 0 HA PRO A 29 16.664 3.558 2.199 1.00 0.93 H new ATOM 0 HB2 PRO A 29 16.639 5.700 3.962 1.00 1.01 H new ATOM 0 HB3 PRO A 29 17.389 5.832 2.383 1.00 1.01 H new ATOM 0 HG2 PRO A 29 14.680 6.783 3.280 1.00 1.00 H new ATOM 0 HG3 PRO A 29 15.837 7.579 2.231 1.00 1.00 H new ATOM 0 HD2 PRO A 29 13.653 6.280 1.260 1.00 0.94 H new ATOM 0 HD3 PRO A 29 15.146 6.398 0.351 1.00 0.94 H new ATOM 665 N ARG A 30 14.195 4.160 4.296 1.00 0.99 N ATOM 666 CA ARG A 30 13.519 3.531 5.486 1.00 1.03 C ATOM 667 C ARG A 30 12.475 2.478 5.098 1.00 0.88 C ATOM 668 O ARG A 30 12.007 2.414 3.978 1.00 1.07 O ATOM 669 CB ARG A 30 12.802 4.679 6.202 1.00 1.17 C ATOM 670 CG ARG A 30 13.781 5.417 7.110 1.00 1.23 C ATOM 671 CD ARG A 30 14.113 4.577 8.352 1.00 1.67 C ATOM 672 NE ARG A 30 15.609 4.585 8.429 1.00 1.89 N ATOM 673 CZ ARG A 30 16.271 5.718 8.447 1.00 2.46 C ATOM 674 NH1 ARG A 30 16.649 6.263 7.333 1.00 2.96 N ATOM 675 NH2 ARG A 30 16.557 6.294 9.573 1.00 3.16 N ATOM 0 H ARG A 30 13.804 5.055 4.000 1.00 0.99 H new ATOM 0 HA ARG A 30 14.263 3.021 6.097 1.00 1.03 H new ATOM 0 HB2 ARG A 30 12.380 5.368 5.471 1.00 1.17 H new ATOM 0 HB3 ARG A 30 11.970 4.290 6.789 1.00 1.17 H new ATOM 0 HG2 ARG A 30 14.696 5.640 6.561 1.00 1.23 H new ATOM 0 HG3 ARG A 30 13.352 6.371 7.415 1.00 1.23 H new ATOM 0 HD2 ARG A 30 13.668 5.005 9.250 1.00 1.67 H new ATOM 0 HD3 ARG A 30 13.727 3.562 8.258 1.00 1.67 H new ATOM 0 HE ARG A 30 16.118 3.702 8.468 1.00 1.89 H new ATOM 0 HH11 ARG A 30 16.432 5.811 6.445 1.00 2.96 H new ATOM 0 HH12 ARG A 30 17.164 7.144 7.345 1.00 2.96 H new ATOM 0 HH21 ARG A 30 16.267 5.867 10.453 1.00 3.16 H new ATOM 0 HH22 ARG A 30 17.072 7.175 9.579 1.00 3.16 H new ATOM 689 N ASP A 31 12.077 1.693 6.068 1.00 0.91 N ATOM 690 CA ASP A 31 11.022 0.660 5.858 1.00 0.88 C ATOM 691 C ASP A 31 9.649 1.306 6.044 1.00 0.83 C ATOM 692 O ASP A 31 9.533 2.363 6.643 1.00 0.94 O ATOM 693 CB ASP A 31 11.240 -0.362 6.977 1.00 1.10 C ATOM 694 CG ASP A 31 12.210 -1.444 6.524 1.00 1.47 C ATOM 695 OD1 ASP A 31 11.956 -2.054 5.496 1.00 2.13 O ATOM 696 OD2 ASP A 31 13.195 -1.638 7.215 1.00 2.02 O ATOM 0 H ASP A 31 12.449 1.728 7.017 1.00 0.91 H new ATOM 0 HA ASP A 31 11.070 0.213 4.865 1.00 0.88 H new ATOM 0 HB2 ASP A 31 11.630 0.137 7.864 1.00 1.10 H new ATOM 0 HB3 ASP A 31 10.288 -0.812 7.258 1.00 1.10 H new ATOM 701 N GLY A 32 8.609 0.683 5.572 1.00 0.91 N ATOM 702 CA GLY A 32 7.255 1.273 5.766 1.00 0.99 C ATOM 703 C GLY A 32 6.732 1.896 4.472 1.00 1.08 C ATOM 704 O GLY A 32 5.565 1.928 4.257 1.00 1.97 O ATOM 0 H GLY A 32 8.634 -0.201 5.064 1.00 0.91 H new ATOM 0 HA2 GLY A 32 6.565 0.501 6.106 1.00 0.99 H new ATOM 0 HA3 GLY A 32 7.295 2.032 6.548 1.00 0.99 H new ATOM 708 N ALA A 33 7.572 2.408 3.624 1.00 0.84 N ATOM 709 CA ALA A 33 7.073 3.050 2.354 1.00 0.80 C ATOM 710 C ALA A 33 5.753 2.413 1.823 1.00 0.69 C ATOM 711 O ALA A 33 5.760 1.333 1.260 1.00 0.82 O ATOM 712 CB ALA A 33 8.210 2.831 1.358 1.00 0.84 C ATOM 0 H ALA A 33 8.585 2.416 3.744 1.00 0.84 H new ATOM 0 HA ALA A 33 6.828 4.100 2.516 1.00 0.80 H new ATOM 0 HB1 ALA A 33 7.940 3.266 0.396 1.00 0.84 H new ATOM 0 HB2 ALA A 33 9.117 3.308 1.730 1.00 0.84 H new ATOM 0 HB3 ALA A 33 8.386 1.762 1.236 1.00 0.84 H new ATOM 718 N PHE A 34 4.623 3.100 1.980 1.00 0.58 N ATOM 719 CA PHE A 34 3.301 2.562 1.460 1.00 0.53 C ATOM 720 C PHE A 34 2.766 3.472 0.342 1.00 0.56 C ATOM 721 O PHE A 34 2.794 4.680 0.469 1.00 0.61 O ATOM 722 CB PHE A 34 2.275 2.608 2.609 1.00 0.55 C ATOM 723 CG PHE A 34 2.901 2.343 3.951 1.00 0.90 C ATOM 724 CD1 PHE A 34 3.082 1.029 4.386 1.00 1.52 C ATOM 725 CD2 PHE A 34 3.273 3.415 4.769 1.00 1.40 C ATOM 726 CE1 PHE A 34 3.645 0.783 5.639 1.00 2.12 C ATOM 727 CE2 PHE A 34 3.835 3.172 6.028 1.00 1.95 C ATOM 728 CZ PHE A 34 4.023 1.854 6.462 1.00 2.20 C ATOM 0 H PHE A 34 4.562 4.006 2.444 1.00 0.58 H new ATOM 0 HA PHE A 34 3.450 1.549 1.086 1.00 0.53 H new ATOM 0 HB2 PHE A 34 1.794 3.586 2.623 1.00 0.55 H new ATOM 0 HB3 PHE A 34 1.494 1.871 2.424 1.00 0.55 H new ATOM 0 HD1 PHE A 34 2.787 0.204 3.754 1.00 1.52 H new ATOM 0 HD2 PHE A 34 3.127 4.430 4.429 1.00 1.40 H new ATOM 0 HE1 PHE A 34 3.790 -0.233 5.975 1.00 2.12 H new ATOM 0 HE2 PHE A 34 4.122 3.998 6.662 1.00 1.95 H new ATOM 0 HZ PHE A 34 4.459 1.662 7.431 1.00 2.20 H new ATOM 738 N LEU A 35 2.258 2.923 -0.742 1.00 0.57 N ATOM 739 CA LEU A 35 1.715 3.813 -1.827 1.00 0.61 C ATOM 740 C LEU A 35 0.903 3.033 -2.879 1.00 0.58 C ATOM 741 O LEU A 35 1.371 2.068 -3.450 1.00 0.61 O ATOM 742 CB LEU A 35 2.954 4.446 -2.462 1.00 0.72 C ATOM 743 CG LEU A 35 2.534 5.472 -3.517 1.00 0.57 C ATOM 744 CD1 LEU A 35 1.871 6.671 -2.833 1.00 0.96 C ATOM 745 CD2 LEU A 35 3.772 5.947 -4.275 1.00 0.65 C ATOM 0 H LEU A 35 2.196 1.921 -0.921 1.00 0.57 H new ATOM 0 HA LEU A 35 1.021 4.549 -1.421 1.00 0.61 H new ATOM 0 HB2 LEU A 35 3.560 4.928 -1.695 1.00 0.72 H new ATOM 0 HB3 LEU A 35 3.573 3.674 -2.919 1.00 0.72 H new ATOM 0 HG LEU A 35 1.828 5.013 -4.210 1.00 0.57 H new ATOM 0 HD11 LEU A 35 1.573 7.400 -3.586 1.00 0.96 H new ATOM 0 HD12 LEU A 35 0.991 6.336 -2.284 1.00 0.96 H new ATOM 0 HD13 LEU A 35 2.577 7.131 -2.141 1.00 0.96 H new ATOM 0 HD21 LEU A 35 3.479 6.678 -5.028 1.00 0.65 H new ATOM 0 HD22 LEU A 35 4.472 6.406 -3.577 1.00 0.65 H new ATOM 0 HD23 LEU A 35 4.249 5.096 -4.762 1.00 0.65 H new ATOM 757 N VAL A 36 -0.301 3.477 -3.155 1.00 0.60 N ATOM 758 CA VAL A 36 -1.154 2.800 -4.194 1.00 0.60 C ATOM 759 C VAL A 36 -1.251 3.685 -5.439 1.00 0.64 C ATOM 760 O VAL A 36 -1.590 4.847 -5.353 1.00 0.75 O ATOM 761 CB VAL A 36 -2.559 2.613 -3.584 1.00 0.62 C ATOM 762 CG1 VAL A 36 -2.595 1.326 -2.765 1.00 1.38 C ATOM 763 CG2 VAL A 36 -2.934 3.801 -2.685 1.00 1.35 C ATOM 0 H VAL A 36 -0.735 4.283 -2.705 1.00 0.60 H new ATOM 0 HA VAL A 36 -0.723 1.841 -4.482 1.00 0.60 H new ATOM 0 HB VAL A 36 -3.280 2.556 -4.399 1.00 0.62 H new ATOM 0 HG11 VAL A 36 -3.588 1.196 -2.335 1.00 1.38 H new ATOM 0 HG12 VAL A 36 -2.365 0.478 -3.410 1.00 1.38 H new ATOM 0 HG13 VAL A 36 -1.858 1.384 -1.964 1.00 1.38 H new ATOM 0 HG21 VAL A 36 -3.929 3.642 -2.269 1.00 1.35 H new ATOM 0 HG22 VAL A 36 -2.211 3.886 -1.874 1.00 1.35 H new ATOM 0 HG23 VAL A 36 -2.929 4.718 -3.274 1.00 1.35 H new ATOM 773 N ARG A 37 -0.963 3.145 -6.595 1.00 0.69 N ATOM 774 CA ARG A 37 -1.048 3.972 -7.842 1.00 0.75 C ATOM 775 C ARG A 37 -1.571 3.146 -9.044 1.00 0.74 C ATOM 776 O ARG A 37 -1.750 1.944 -8.958 1.00 0.69 O ATOM 777 CB ARG A 37 0.371 4.508 -8.057 1.00 0.81 C ATOM 778 CG ARG A 37 1.100 3.737 -9.153 1.00 0.93 C ATOM 779 CD ARG A 37 1.254 2.280 -8.748 1.00 1.24 C ATOM 780 NE ARG A 37 2.050 1.671 -9.840 1.00 1.35 N ATOM 781 CZ ARG A 37 2.575 0.517 -9.665 1.00 1.83 C ATOM 782 NH1 ARG A 37 1.892 -0.543 -9.896 1.00 2.44 N ATOM 783 NH2 ARG A 37 3.790 0.420 -9.262 1.00 2.48 N ATOM 0 H ARG A 37 -0.675 2.176 -6.732 1.00 0.69 H new ATOM 0 HA ARG A 37 -1.765 4.788 -7.749 1.00 0.75 H new ATOM 0 HB2 ARG A 37 0.326 5.564 -8.322 1.00 0.81 H new ATOM 0 HB3 ARG A 37 0.933 4.437 -7.126 1.00 0.81 H new ATOM 0 HG2 ARG A 37 0.545 3.806 -10.089 1.00 0.93 H new ATOM 0 HG3 ARG A 37 2.080 4.180 -9.330 1.00 0.93 H new ATOM 0 HD2 ARG A 37 1.762 2.187 -7.788 1.00 1.24 H new ATOM 0 HD3 ARG A 37 0.285 1.793 -8.645 1.00 1.24 H new ATOM 0 HE ARG A 37 2.178 2.167 -10.722 1.00 1.35 H new ATOM 0 HH11 ARG A 37 0.928 -0.468 -10.220 1.00 2.44 H new ATOM 0 HH12 ARG A 37 2.313 -1.462 -9.756 1.00 2.44 H new ATOM 0 HH21 ARG A 37 4.336 1.262 -9.081 1.00 2.48 H new ATOM 0 HH22 ARG A 37 4.209 -0.499 -9.122 1.00 2.48 H new ATOM 797 N LYS A 38 -1.856 3.804 -10.145 1.00 0.79 N ATOM 798 CA LYS A 38 -2.422 3.101 -11.347 1.00 0.81 C ATOM 799 C LYS A 38 -1.388 2.250 -12.113 1.00 0.85 C ATOM 800 O LYS A 38 -0.225 2.598 -12.215 1.00 0.98 O ATOM 801 CB LYS A 38 -2.938 4.231 -12.256 1.00 0.88 C ATOM 802 CG LYS A 38 -4.449 4.035 -12.504 1.00 0.91 C ATOM 803 CD LYS A 38 -4.689 3.675 -13.975 1.00 1.65 C ATOM 804 CE LYS A 38 -6.050 2.987 -14.144 1.00 1.98 C ATOM 805 NZ LYS A 38 -5.858 1.565 -13.691 1.00 3.11 N ATOM 0 H LYS A 38 -1.720 4.808 -10.264 1.00 0.79 H new ATOM 0 HA LYS A 38 -3.193 2.396 -11.036 1.00 0.81 H new ATOM 0 HB2 LYS A 38 -2.757 5.200 -11.790 1.00 0.88 H new ATOM 0 HB3 LYS A 38 -2.399 4.227 -13.203 1.00 0.88 H new ATOM 0 HG2 LYS A 38 -4.834 3.245 -11.859 1.00 0.91 H new ATOM 0 HG3 LYS A 38 -4.990 4.946 -12.250 1.00 0.91 H new ATOM 0 HD2 LYS A 38 -4.652 4.576 -14.587 1.00 1.65 H new ATOM 0 HD3 LYS A 38 -3.896 3.017 -14.329 1.00 1.65 H new ATOM 0 HE2 LYS A 38 -6.815 3.486 -13.549 1.00 1.98 H new ATOM 0 HE3 LYS A 38 -6.379 3.024 -15.182 1.00 1.98 H new ATOM 0 HZ1 LYS A 38 -5.923 0.928 -14.510 1.00 3.11 H new ATOM 0 HZ2 LYS A 38 -4.922 1.465 -13.248 1.00 3.11 H new ATOM 0 HZ3 LYS A 38 -6.596 1.318 -13.001 1.00 3.11 H new ATOM 819 N ARG A 39 -1.839 1.150 -12.681 1.00 0.85 N ATOM 820 CA ARG A 39 -0.939 0.262 -13.491 1.00 0.95 C ATOM 821 C ARG A 39 -1.368 0.299 -14.978 1.00 0.89 C ATOM 822 O ARG A 39 -2.427 0.800 -15.313 1.00 1.04 O ATOM 823 CB ARG A 39 -1.136 -1.142 -12.911 1.00 1.13 C ATOM 824 CG ARG A 39 0.196 -1.892 -12.926 1.00 1.17 C ATOM 825 CD ARG A 39 0.011 -3.313 -12.390 1.00 1.46 C ATOM 826 NE ARG A 39 -0.949 -3.986 -13.329 1.00 1.64 N ATOM 827 CZ ARG A 39 -0.500 -4.718 -14.308 1.00 1.82 C ATOM 828 NH1 ARG A 39 0.116 -4.179 -15.310 1.00 2.51 N ATOM 829 NH2 ARG A 39 -0.657 -5.996 -14.278 1.00 2.03 N ATOM 0 H ARG A 39 -2.805 0.828 -12.616 1.00 0.85 H new ATOM 0 HA ARG A 39 0.104 0.575 -13.447 1.00 0.95 H new ATOM 0 HB2 ARG A 39 -1.517 -1.076 -11.892 1.00 1.13 H new ATOM 0 HB3 ARG A 39 -1.879 -1.687 -13.494 1.00 1.13 H new ATOM 0 HG2 ARG A 39 0.590 -1.928 -13.942 1.00 1.17 H new ATOM 0 HG3 ARG A 39 0.928 -1.359 -12.319 1.00 1.17 H new ATOM 0 HD2 ARG A 39 0.962 -3.845 -12.357 1.00 1.46 H new ATOM 0 HD3 ARG A 39 -0.382 -3.299 -11.373 1.00 1.46 H new ATOM 0 HE ARG A 39 -1.954 -3.869 -13.200 1.00 1.64 H new ATOM 0 HH11 ARG A 39 0.255 -3.169 -15.340 1.00 2.51 H new ATOM 0 HH12 ARG A 39 0.463 -4.764 -16.070 1.00 2.51 H new ATOM 0 HH21 ARG A 39 -1.132 -6.433 -13.488 1.00 2.03 H new ATOM 0 HH22 ARG A 39 -0.306 -6.571 -15.044 1.00 2.03 H new ATOM 843 N ASN A 40 -0.547 -0.213 -15.867 1.00 1.00 N ATOM 844 CA ASN A 40 -0.886 -0.198 -17.340 1.00 1.01 C ATOM 845 C ASN A 40 -2.066 -1.130 -17.675 1.00 1.01 C ATOM 846 O ASN A 40 -2.676 -1.012 -18.719 1.00 1.36 O ATOM 847 CB ASN A 40 0.378 -0.707 -18.044 1.00 1.07 C ATOM 848 CG ASN A 40 0.450 -0.159 -19.469 1.00 1.46 C ATOM 849 OD1 ASN A 40 0.187 1.003 -19.701 1.00 2.20 O ATOM 850 ND2 ASN A 40 0.818 -0.948 -20.438 1.00 1.85 N ATOM 0 H ASN A 40 0.349 -0.644 -15.640 1.00 1.00 H new ATOM 0 HA ASN A 40 -1.184 0.802 -17.655 1.00 1.01 H new ATOM 0 HB2 ASN A 40 1.262 -0.401 -17.485 1.00 1.07 H new ATOM 0 HB3 ASN A 40 0.376 -1.797 -18.066 1.00 1.07 H new ATOM 0 HD21 ASN A 40 0.885 -0.589 -21.390 1.00 1.85 H new ATOM 0 HD22 ASN A 40 1.039 -1.925 -20.244 1.00 1.85 H new ATOM 857 N GLU A 41 -2.370 -2.066 -16.818 1.00 0.86 N ATOM 858 CA GLU A 41 -3.483 -3.024 -17.096 1.00 0.91 C ATOM 859 C GLU A 41 -4.844 -2.449 -16.637 1.00 0.96 C ATOM 860 O GLU A 41 -4.928 -1.805 -15.607 1.00 1.08 O ATOM 861 CB GLU A 41 -3.086 -4.264 -16.280 1.00 0.96 C ATOM 862 CG GLU A 41 -3.447 -5.554 -17.034 1.00 1.85 C ATOM 863 CD GLU A 41 -2.194 -6.154 -17.677 1.00 2.80 C ATOM 864 OE1 GLU A 41 -1.280 -6.501 -16.936 1.00 3.43 O ATOM 865 OE2 GLU A 41 -2.165 -6.245 -18.895 1.00 3.43 O ATOM 0 H GLU A 41 -1.892 -2.211 -15.929 1.00 0.86 H new ATOM 0 HA GLU A 41 -3.612 -3.239 -18.157 1.00 0.91 H new ATOM 0 HB2 GLU A 41 -2.015 -4.244 -16.077 1.00 0.96 H new ATOM 0 HB3 GLU A 41 -3.593 -4.247 -15.315 1.00 0.96 H new ATOM 0 HG2 GLU A 41 -3.893 -6.273 -16.347 1.00 1.85 H new ATOM 0 HG3 GLU A 41 -4.192 -5.340 -17.800 1.00 1.85 H new ATOM 872 N PRO A 42 -5.876 -2.724 -17.409 1.00 1.07 N ATOM 873 CA PRO A 42 -7.246 -2.240 -17.063 1.00 1.20 C ATOM 874 C PRO A 42 -7.753 -2.983 -15.818 1.00 1.11 C ATOM 875 O PRO A 42 -7.461 -4.150 -15.626 1.00 1.47 O ATOM 876 CB PRO A 42 -8.073 -2.583 -18.300 1.00 1.40 C ATOM 877 CG PRO A 42 -7.332 -3.701 -18.960 1.00 1.41 C ATOM 878 CD PRO A 42 -5.871 -3.490 -18.663 1.00 1.26 C ATOM 0 HA PRO A 42 -7.293 -1.177 -16.825 1.00 1.20 H new ATOM 0 HB2 PRO A 42 -9.084 -2.886 -18.028 1.00 1.40 H new ATOM 0 HB3 PRO A 42 -8.165 -1.724 -18.964 1.00 1.40 H new ATOM 0 HG2 PRO A 42 -7.668 -4.665 -18.579 1.00 1.41 H new ATOM 0 HG3 PRO A 42 -7.512 -3.702 -20.035 1.00 1.41 H new ATOM 0 HD2 PRO A 42 -5.345 -4.438 -18.551 1.00 1.26 H new ATOM 0 HD3 PRO A 42 -5.375 -2.943 -19.464 1.00 1.26 H new ATOM 886 N ASN A 43 -8.479 -2.309 -14.952 1.00 1.16 N ATOM 887 CA ASN A 43 -8.958 -2.975 -13.697 1.00 1.12 C ATOM 888 C ASN A 43 -7.738 -3.578 -12.981 1.00 1.07 C ATOM 889 O ASN A 43 -7.757 -4.702 -12.511 1.00 1.73 O ATOM 890 CB ASN A 43 -9.952 -4.057 -14.158 1.00 1.13 C ATOM 891 CG ASN A 43 -11.386 -3.574 -13.913 1.00 1.51 C ATOM 892 OD1 ASN A 43 -11.712 -2.444 -14.195 1.00 2.17 O ATOM 893 ND2 ASN A 43 -12.263 -4.387 -13.399 1.00 2.01 N ATOM 0 H ASN A 43 -8.758 -1.334 -15.060 1.00 1.16 H new ATOM 0 HA ASN A 43 -9.446 -2.296 -12.997 1.00 1.12 H new ATOM 0 HB2 ASN A 43 -9.806 -4.273 -15.216 1.00 1.13 H new ATOM 0 HB3 ASN A 43 -9.772 -4.985 -13.616 1.00 1.13 H new ATOM 0 HD21 ASN A 43 -13.219 -4.070 -13.236 1.00 2.01 H new ATOM 0 HD22 ASN A 43 -11.995 -5.341 -13.159 1.00 2.01 H new ATOM 900 N SER A 44 -6.657 -2.827 -12.936 1.00 0.78 N ATOM 901 CA SER A 44 -5.400 -3.326 -12.302 1.00 0.73 C ATOM 902 C SER A 44 -4.667 -2.205 -11.555 1.00 0.80 C ATOM 903 O SER A 44 -3.844 -1.505 -12.113 1.00 1.48 O ATOM 904 CB SER A 44 -4.557 -3.806 -13.479 1.00 0.90 C ATOM 905 OG SER A 44 -3.354 -4.406 -13.008 1.00 1.41 O ATOM 0 H SER A 44 -6.597 -1.882 -13.316 1.00 0.78 H new ATOM 0 HA SER A 44 -5.596 -4.105 -11.566 1.00 0.73 H new ATOM 0 HB2 SER A 44 -5.123 -4.524 -14.072 1.00 0.90 H new ATOM 0 HB3 SER A 44 -4.322 -2.967 -14.134 1.00 0.90 H new ATOM 0 HG SER A 44 -3.220 -5.266 -13.458 1.00 1.41 H new ATOM 911 N TYR A 45 -4.934 -2.054 -10.288 1.00 0.61 N ATOM 912 CA TYR A 45 -4.220 -1.013 -9.483 1.00 0.57 C ATOM 913 C TYR A 45 -3.112 -1.705 -8.686 1.00 0.55 C ATOM 914 O TYR A 45 -3.065 -2.901 -8.647 1.00 0.92 O ATOM 915 CB TYR A 45 -5.274 -0.414 -8.548 1.00 0.66 C ATOM 916 CG TYR A 45 -5.052 1.073 -8.498 1.00 0.75 C ATOM 917 CD1 TYR A 45 -5.535 1.879 -9.530 1.00 1.25 C ATOM 918 CD2 TYR A 45 -4.327 1.637 -7.445 1.00 0.76 C ATOM 919 CE1 TYR A 45 -5.297 3.257 -9.507 1.00 1.46 C ATOM 920 CE2 TYR A 45 -4.080 3.012 -7.429 1.00 1.03 C ATOM 921 CZ TYR A 45 -4.566 3.821 -8.460 1.00 1.28 C ATOM 922 OH TYR A 45 -4.305 5.173 -8.457 1.00 1.60 O ATOM 0 H TYR A 45 -5.617 -2.606 -9.770 1.00 0.61 H new ATOM 0 HA TYR A 45 -3.765 -0.234 -10.095 1.00 0.57 H new ATOM 0 HB2 TYR A 45 -6.277 -0.639 -8.910 1.00 0.66 H new ATOM 0 HB3 TYR A 45 -5.190 -0.847 -7.551 1.00 0.66 H new ATOM 0 HD1 TYR A 45 -6.091 1.439 -10.345 1.00 1.25 H new ATOM 0 HD2 TYR A 45 -3.958 1.011 -6.645 1.00 0.76 H new ATOM 0 HE1 TYR A 45 -5.679 3.884 -10.299 1.00 1.46 H new ATOM 0 HE2 TYR A 45 -3.514 3.450 -6.620 1.00 1.03 H new ATOM 0 HH TYR A 45 -4.887 5.620 -9.107 1.00 1.60 H new ATOM 932 N ALA A 46 -2.220 -1.005 -8.049 1.00 0.56 N ATOM 933 CA ALA A 46 -1.166 -1.744 -7.281 1.00 0.54 C ATOM 934 C ALA A 46 -0.887 -1.081 -5.930 1.00 0.51 C ATOM 935 O ALA A 46 -1.229 0.065 -5.704 1.00 0.62 O ATOM 936 CB ALA A 46 0.066 -1.748 -8.180 1.00 0.65 C ATOM 0 H ALA A 46 -2.167 0.013 -8.021 1.00 0.56 H new ATOM 0 HA ALA A 46 -1.481 -2.759 -7.040 1.00 0.54 H new ATOM 0 HB1 ALA A 46 0.879 -2.274 -7.680 1.00 0.65 H new ATOM 0 HB2 ALA A 46 -0.169 -2.251 -9.118 1.00 0.65 H new ATOM 0 HB3 ALA A 46 0.370 -0.722 -8.386 1.00 0.65 H new ATOM 942 N ILE A 47 -0.292 -1.818 -5.022 1.00 0.49 N ATOM 943 CA ILE A 47 -0.005 -1.273 -3.657 1.00 0.48 C ATOM 944 C ILE A 47 1.490 -1.363 -3.314 1.00 0.52 C ATOM 945 O ILE A 47 2.032 -2.443 -3.168 1.00 0.78 O ATOM 946 CB ILE A 47 -0.785 -2.183 -2.696 1.00 0.52 C ATOM 947 CG1 ILE A 47 -2.292 -2.096 -2.968 1.00 0.85 C ATOM 948 CG2 ILE A 47 -0.496 -1.753 -1.254 1.00 1.10 C ATOM 949 CD1 ILE A 47 -3.038 -3.062 -2.042 1.00 1.07 C ATOM 0 H ILE A 47 0.009 -2.781 -5.170 1.00 0.49 H new ATOM 0 HA ILE A 47 -0.288 -0.222 -3.592 1.00 0.48 H new ATOM 0 HB ILE A 47 -0.468 -3.214 -2.849 1.00 0.52 H new ATOM 0 HG12 ILE A 47 -2.643 -1.077 -2.806 1.00 0.85 H new ATOM 0 HG13 ILE A 47 -2.499 -2.342 -4.010 1.00 0.85 H new ATOM 0 HG21 ILE A 47 -1.046 -2.395 -0.566 1.00 1.10 H new ATOM 0 HG22 ILE A 47 0.572 -1.840 -1.056 1.00 1.10 H new ATOM 0 HG23 ILE A 47 -0.808 -0.718 -1.113 1.00 1.10 H new ATOM 0 HD11 ILE A 47 -4.109 -2.999 -2.237 1.00 1.07 H new ATOM 0 HD12 ILE A 47 -2.695 -4.080 -2.226 1.00 1.07 H new ATOM 0 HD13 ILE A 47 -2.842 -2.795 -1.004 1.00 1.07 H new ATOM 961 N SER A 48 2.151 -0.247 -3.139 1.00 0.57 N ATOM 962 CA SER A 48 3.595 -0.296 -2.756 1.00 0.63 C ATOM 963 C SER A 48 3.716 -0.414 -1.240 1.00 0.53 C ATOM 964 O SER A 48 3.162 0.375 -0.498 1.00 0.66 O ATOM 965 CB SER A 48 4.218 1.000 -3.266 1.00 0.82 C ATOM 966 OG SER A 48 5.502 0.702 -3.802 1.00 1.55 O ATOM 0 H SER A 48 1.758 0.688 -3.244 1.00 0.57 H new ATOM 0 HA SER A 48 4.106 -1.157 -3.187 1.00 0.63 H new ATOM 0 HB2 SER A 48 3.584 1.451 -4.029 1.00 0.82 H new ATOM 0 HB3 SER A 48 4.304 1.724 -2.455 1.00 0.82 H new ATOM 0 HG SER A 48 5.430 -0.053 -4.422 1.00 1.55 H new ATOM 972 N PHE A 49 4.405 -1.424 -0.785 1.00 0.60 N ATOM 973 CA PHE A 49 4.551 -1.655 0.683 1.00 0.59 C ATOM 974 C PHE A 49 5.968 -2.162 0.998 1.00 0.60 C ATOM 975 O PHE A 49 6.335 -3.261 0.621 1.00 0.75 O ATOM 976 CB PHE A 49 3.513 -2.743 0.967 1.00 0.67 C ATOM 977 CG PHE A 49 2.768 -2.463 2.247 1.00 0.76 C ATOM 978 CD1 PHE A 49 3.296 -2.891 3.468 1.00 0.92 C ATOM 979 CD2 PHE A 49 1.537 -1.801 2.210 1.00 0.99 C ATOM 980 CE1 PHE A 49 2.595 -2.652 4.653 1.00 1.18 C ATOM 981 CE2 PHE A 49 0.834 -1.565 3.397 1.00 1.29 C ATOM 982 CZ PHE A 49 1.365 -1.991 4.619 1.00 1.34 C ATOM 0 H PHE A 49 4.879 -2.108 -1.374 1.00 0.60 H new ATOM 0 HA PHE A 49 4.404 -0.757 1.283 1.00 0.59 H new ATOM 0 HB2 PHE A 49 2.808 -2.802 0.138 1.00 0.67 H new ATOM 0 HB3 PHE A 49 4.007 -3.712 1.035 1.00 0.67 H new ATOM 0 HD1 PHE A 49 4.245 -3.406 3.496 1.00 0.92 H new ATOM 0 HD2 PHE A 49 1.129 -1.472 1.266 1.00 0.99 H new ATOM 0 HE1 PHE A 49 3.005 -2.979 5.597 1.00 1.18 H new ATOM 0 HE2 PHE A 49 -0.117 -1.055 3.370 1.00 1.29 H new ATOM 0 HZ PHE A 49 0.824 -1.809 5.536 1.00 1.34 H new ATOM 992 N ARG A 50 6.774 -1.373 1.668 1.00 0.56 N ATOM 993 CA ARG A 50 8.169 -1.828 1.986 1.00 0.61 C ATOM 994 C ARG A 50 8.266 -2.330 3.429 1.00 0.60 C ATOM 995 O ARG A 50 8.133 -1.569 4.371 1.00 0.57 O ATOM 996 CB ARG A 50 9.057 -0.596 1.791 1.00 0.65 C ATOM 997 CG ARG A 50 10.491 -0.934 2.217 1.00 0.81 C ATOM 998 CD ARG A 50 11.416 0.238 1.895 1.00 1.04 C ATOM 999 NE ARG A 50 12.786 -0.353 1.883 1.00 1.14 N ATOM 1000 CZ ARG A 50 13.636 -0.075 2.827 1.00 1.38 C ATOM 1001 NH1 ARG A 50 13.552 -0.659 3.982 1.00 2.04 N ATOM 1002 NH2 ARG A 50 14.550 0.808 2.629 1.00 1.99 N ATOM 0 H ARG A 50 6.531 -0.442 2.007 1.00 0.56 H new ATOM 0 HA ARG A 50 8.472 -2.656 1.345 1.00 0.61 H new ATOM 0 HB2 ARG A 50 9.040 -0.282 0.747 1.00 0.65 H new ATOM 0 HB3 ARG A 50 8.677 0.238 2.381 1.00 0.65 H new ATOM 0 HG2 ARG A 50 10.521 -1.151 3.285 1.00 0.81 H new ATOM 0 HG3 ARG A 50 10.832 -1.831 1.700 1.00 0.81 H new ATOM 0 HD2 ARG A 50 11.169 0.684 0.932 1.00 1.04 H new ATOM 0 HD3 ARG A 50 11.331 1.026 2.643 1.00 1.04 H new ATOM 0 HE ARG A 50 13.058 -0.981 1.127 1.00 1.14 H new ATOM 0 HH11 ARG A 50 12.815 -1.342 4.156 1.00 2.04 H new ATOM 0 HH12 ARG A 50 14.223 -0.435 4.717 1.00 2.04 H new ATOM 0 HH21 ARG A 50 14.608 1.290 1.732 1.00 1.99 H new ATOM 0 HH22 ARG A 50 15.217 1.026 3.369 1.00 1.99 H new ATOM 1016 N ALA A 51 8.512 -3.603 3.609 1.00 0.70 N ATOM 1017 CA ALA A 51 8.629 -4.157 4.990 1.00 0.73 C ATOM 1018 C ALA A 51 10.067 -4.610 5.285 1.00 0.77 C ATOM 1019 O ALA A 51 10.839 -4.915 4.391 1.00 0.83 O ATOM 1020 CB ALA A 51 7.679 -5.353 5.015 1.00 0.76 C ATOM 0 H ALA A 51 8.637 -4.282 2.858 1.00 0.70 H new ATOM 0 HA ALA A 51 8.380 -3.412 5.746 1.00 0.73 H new ATOM 0 HB1 ALA A 51 7.706 -5.819 6.000 1.00 0.76 H new ATOM 0 HB2 ALA A 51 6.665 -5.017 4.800 1.00 0.76 H new ATOM 0 HB3 ALA A 51 7.988 -6.079 4.262 1.00 0.76 H new ATOM 1026 N GLU A 52 10.415 -4.653 6.547 1.00 0.79 N ATOM 1027 CA GLU A 52 11.792 -5.084 6.965 1.00 0.87 C ATOM 1028 C GLU A 52 12.184 -6.423 6.316 1.00 0.95 C ATOM 1029 O GLU A 52 11.558 -7.443 6.536 1.00 0.98 O ATOM 1030 CB GLU A 52 11.740 -5.232 8.501 1.00 0.89 C ATOM 1031 CG GLU A 52 10.435 -5.920 8.936 1.00 0.94 C ATOM 1032 CD GLU A 52 10.497 -6.297 10.419 1.00 1.39 C ATOM 1033 OE1 GLU A 52 11.420 -7.000 10.800 1.00 1.98 O ATOM 1034 OE2 GLU A 52 9.613 -5.878 11.147 1.00 1.89 O ATOM 0 H GLU A 52 9.796 -4.405 7.319 1.00 0.79 H new ATOM 0 HA GLU A 52 12.538 -4.355 6.649 1.00 0.87 H new ATOM 0 HB2 GLU A 52 12.596 -5.813 8.845 1.00 0.89 H new ATOM 0 HB3 GLU A 52 11.813 -4.250 8.969 1.00 0.89 H new ATOM 0 HG2 GLU A 52 9.590 -5.255 8.759 1.00 0.94 H new ATOM 0 HG3 GLU A 52 10.270 -6.813 8.334 1.00 0.94 H new ATOM 1041 N GLY A 53 13.230 -6.418 5.523 1.00 1.07 N ATOM 1042 CA GLY A 53 13.698 -7.678 4.854 1.00 1.23 C ATOM 1043 C GLY A 53 12.531 -8.408 4.164 1.00 1.16 C ATOM 1044 O GLY A 53 12.493 -9.622 4.130 1.00 1.23 O ATOM 0 H GLY A 53 13.785 -5.589 5.308 1.00 1.07 H new ATOM 0 HA2 GLY A 53 14.466 -7.439 4.119 1.00 1.23 H new ATOM 0 HA3 GLY A 53 14.157 -8.336 5.592 1.00 1.23 H new ATOM 1048 N LYS A 54 11.592 -7.683 3.603 1.00 1.10 N ATOM 1049 CA LYS A 54 10.436 -8.338 2.900 1.00 1.09 C ATOM 1050 C LYS A 54 9.720 -7.313 2.028 1.00 1.00 C ATOM 1051 O LYS A 54 9.298 -6.273 2.496 1.00 1.15 O ATOM 1052 CB LYS A 54 9.477 -8.842 3.989 1.00 1.15 C ATOM 1053 CG LYS A 54 8.490 -9.854 3.365 1.00 1.35 C ATOM 1054 CD LYS A 54 7.077 -9.663 3.951 1.00 1.96 C ATOM 1055 CE LYS A 54 6.496 -11.021 4.390 1.00 2.33 C ATOM 1056 NZ LYS A 54 5.408 -10.685 5.359 1.00 2.88 N ATOM 0 H LYS A 54 11.574 -6.663 3.600 1.00 1.10 H new ATOM 0 HA LYS A 54 10.777 -9.156 2.266 1.00 1.09 H new ATOM 0 HB2 LYS A 54 10.039 -9.313 4.796 1.00 1.15 H new ATOM 0 HB3 LYS A 54 8.932 -8.006 4.426 1.00 1.15 H new ATOM 0 HG2 LYS A 54 8.462 -9.724 2.283 1.00 1.35 H new ATOM 0 HG3 LYS A 54 8.834 -10.871 3.555 1.00 1.35 H new ATOM 0 HD2 LYS A 54 7.117 -8.984 4.803 1.00 1.96 H new ATOM 0 HD3 LYS A 54 6.426 -9.204 3.207 1.00 1.96 H new ATOM 0 HE2 LYS A 54 6.106 -11.577 3.537 1.00 2.33 H new ATOM 0 HE3 LYS A 54 7.259 -11.644 4.855 1.00 2.33 H new ATOM 0 HZ1 LYS A 54 5.244 -11.494 5.991 1.00 2.88 H new ATOM 0 HZ2 LYS A 54 5.688 -9.857 5.922 1.00 2.88 H new ATOM 0 HZ3 LYS A 54 4.534 -10.470 4.838 1.00 2.88 H new ATOM 1070 N ILE A 55 9.581 -7.587 0.767 1.00 0.82 N ATOM 1071 CA ILE A 55 8.894 -6.608 -0.114 1.00 0.77 C ATOM 1072 C ILE A 55 8.139 -7.323 -1.241 1.00 0.75 C ATOM 1073 O ILE A 55 8.711 -8.096 -1.987 1.00 0.77 O ATOM 1074 CB ILE A 55 10.023 -5.750 -0.692 1.00 0.80 C ATOM 1075 CG1 ILE A 55 10.479 -4.706 0.341 1.00 0.89 C ATOM 1076 CG2 ILE A 55 9.516 -5.039 -1.947 1.00 0.75 C ATOM 1077 CD1 ILE A 55 11.404 -3.687 -0.333 1.00 1.18 C ATOM 0 H ILE A 55 9.909 -8.438 0.310 1.00 0.82 H new ATOM 0 HA ILE A 55 8.155 -6.018 0.428 1.00 0.77 H new ATOM 0 HB ILE A 55 10.869 -6.390 -0.942 1.00 0.80 H new ATOM 0 HG12 ILE A 55 9.613 -4.200 0.768 1.00 0.89 H new ATOM 0 HG13 ILE A 55 10.999 -5.197 1.164 1.00 0.89 H new ATOM 0 HG21 ILE A 55 10.314 -4.426 -2.365 1.00 0.75 H new ATOM 0 HG22 ILE A 55 9.204 -5.779 -2.683 1.00 0.75 H new ATOM 0 HG23 ILE A 55 8.668 -4.404 -1.688 1.00 0.75 H new ATOM 0 HD11 ILE A 55 11.726 -2.948 0.400 1.00 1.18 H new ATOM 0 HD12 ILE A 55 12.276 -4.200 -0.739 1.00 1.18 H new ATOM 0 HD13 ILE A 55 10.868 -3.188 -1.140 1.00 1.18 H new ATOM 1089 N LYS A 56 6.871 -7.049 -1.388 1.00 0.76 N ATOM 1090 CA LYS A 56 6.092 -7.691 -2.491 1.00 0.77 C ATOM 1091 C LYS A 56 4.806 -6.901 -2.773 1.00 0.74 C ATOM 1092 O LYS A 56 4.082 -6.534 -1.872 1.00 1.16 O ATOM 1093 CB LYS A 56 5.778 -9.121 -2.014 1.00 0.87 C ATOM 1094 CG LYS A 56 5.011 -9.093 -0.682 1.00 1.06 C ATOM 1095 CD LYS A 56 3.656 -9.806 -0.836 1.00 1.35 C ATOM 1096 CE LYS A 56 2.514 -8.812 -0.596 1.00 1.67 C ATOM 1097 NZ LYS A 56 1.873 -9.252 0.679 1.00 2.58 N ATOM 0 H LYS A 56 6.340 -6.411 -0.795 1.00 0.76 H new ATOM 0 HA LYS A 56 6.654 -7.707 -3.425 1.00 0.77 H new ATOM 0 HB2 LYS A 56 5.187 -9.640 -2.769 1.00 0.87 H new ATOM 0 HB3 LYS A 56 6.705 -9.682 -1.894 1.00 0.87 H new ATOM 0 HG2 LYS A 56 5.600 -9.579 0.096 1.00 1.06 H new ATOM 0 HG3 LYS A 56 4.854 -8.062 -0.366 1.00 1.06 H new ATOM 0 HD2 LYS A 56 3.572 -10.235 -1.834 1.00 1.35 H new ATOM 0 HD3 LYS A 56 3.587 -10.631 -0.127 1.00 1.35 H new ATOM 0 HE2 LYS A 56 2.890 -7.792 -0.516 1.00 1.67 H new ATOM 0 HE3 LYS A 56 1.801 -8.825 -1.420 1.00 1.67 H new ATOM 0 HZ1 LYS A 56 0.985 -8.729 0.820 1.00 2.58 H new ATOM 0 HZ2 LYS A 56 1.670 -10.271 0.632 1.00 2.58 H new ATOM 0 HZ3 LYS A 56 2.516 -9.063 1.474 1.00 2.58 H new ATOM 1111 N HIS A 57 4.522 -6.644 -4.019 1.00 0.54 N ATOM 1112 CA HIS A 57 3.281 -5.888 -4.380 1.00 0.52 C ATOM 1113 C HIS A 57 2.788 -6.352 -5.754 1.00 0.65 C ATOM 1114 O HIS A 57 3.548 -6.889 -6.537 1.00 0.98 O ATOM 1115 CB HIS A 57 3.666 -4.394 -4.395 1.00 0.58 C ATOM 1116 CG HIS A 57 5.006 -4.165 -5.058 1.00 0.97 C ATOM 1117 ND1 HIS A 57 5.827 -3.111 -4.689 1.00 1.84 N ATOM 1118 CD2 HIS A 57 5.679 -4.829 -6.057 1.00 1.41 C ATOM 1119 CE1 HIS A 57 6.933 -3.168 -5.447 1.00 2.05 C ATOM 1120 NE2 HIS A 57 6.897 -4.197 -6.300 1.00 1.73 N ATOM 0 H HIS A 57 5.098 -6.926 -4.812 1.00 0.54 H new ATOM 0 HA HIS A 57 2.473 -6.059 -3.669 1.00 0.52 H new ATOM 0 HB2 HIS A 57 2.899 -3.826 -4.921 1.00 0.58 H new ATOM 0 HB3 HIS A 57 3.697 -4.017 -3.373 1.00 0.58 H new ATOM 0 HD2 HIS A 57 5.319 -5.706 -6.574 1.00 1.41 H new ATOM 0 HE1 HIS A 57 7.752 -2.468 -5.377 1.00 2.05 H new ATOM 0 HE2 HIS A 57 7.608 -4.462 -6.982 1.00 1.73 H new ATOM 1128 N CYS A 58 1.530 -6.167 -6.054 1.00 0.61 N ATOM 1129 CA CYS A 58 1.014 -6.623 -7.383 1.00 0.79 C ATOM 1130 C CYS A 58 -0.212 -5.797 -7.824 1.00 0.70 C ATOM 1131 O CYS A 58 -0.389 -4.672 -7.398 1.00 0.58 O ATOM 1132 CB CYS A 58 0.653 -8.094 -7.172 1.00 1.02 C ATOM 1133 SG CYS A 58 2.089 -9.150 -7.502 1.00 1.51 S ATOM 0 H CYS A 58 0.841 -5.725 -5.445 1.00 0.61 H new ATOM 0 HA CYS A 58 1.750 -6.492 -8.177 1.00 0.79 H new ATOM 0 HB2 CYS A 58 0.308 -8.247 -6.149 1.00 1.02 H new ATOM 0 HB3 CYS A 58 -0.170 -8.371 -7.831 1.00 1.02 H new ATOM 0 HG CYS A 58 3.167 -8.562 -7.076 1.00 1.51 H new ATOM 1139 N ARG A 59 -1.042 -6.337 -8.698 1.00 0.85 N ATOM 1140 CA ARG A 59 -2.227 -5.563 -9.193 1.00 0.80 C ATOM 1141 C ARG A 59 -3.518 -5.850 -8.401 1.00 0.71 C ATOM 1142 O ARG A 59 -3.812 -6.960 -8.018 1.00 0.80 O ATOM 1143 CB ARG A 59 -2.371 -5.964 -10.677 1.00 0.93 C ATOM 1144 CG ARG A 59 -3.800 -6.435 -11.007 1.00 1.00 C ATOM 1145 CD ARG A 59 -3.797 -7.932 -11.300 1.00 1.20 C ATOM 1146 NE ARG A 59 -5.242 -8.305 -11.318 1.00 1.18 N ATOM 1147 CZ ARG A 59 -5.754 -8.894 -12.351 1.00 1.71 C ATOM 1148 NH1 ARG A 59 -5.660 -10.163 -12.508 1.00 2.43 N ATOM 1149 NH2 ARG A 59 -6.381 -8.216 -13.248 1.00 2.37 N ATOM 0 H ARG A 59 -0.947 -7.276 -9.085 1.00 0.85 H new ATOM 0 HA ARG A 59 -2.071 -4.492 -9.062 1.00 0.80 H new ATOM 0 HB2 ARG A 59 -2.113 -5.115 -11.310 1.00 0.93 H new ATOM 0 HB3 ARG A 59 -1.663 -6.760 -10.909 1.00 0.93 H new ATOM 0 HG2 ARG A 59 -4.465 -6.220 -10.171 1.00 1.00 H new ATOM 0 HG3 ARG A 59 -4.183 -5.888 -11.868 1.00 1.00 H new ATOM 0 HD2 ARG A 59 -3.318 -8.150 -12.254 1.00 1.20 H new ATOM 0 HD3 ARG A 59 -3.252 -8.486 -10.536 1.00 1.20 H new ATOM 0 HE ARG A 59 -5.830 -8.095 -10.511 1.00 1.18 H new ATOM 0 HH11 ARG A 59 -5.175 -10.728 -11.812 1.00 2.43 H new ATOM 0 HH12 ARG A 59 -6.071 -10.607 -13.329 1.00 2.43 H new ATOM 0 HH21 ARG A 59 -6.478 -7.206 -13.148 1.00 2.37 H new ATOM 0 HH22 ARG A 59 -6.781 -8.689 -14.058 1.00 2.37 H new ATOM 1163 N VAL A 60 -4.295 -4.822 -8.208 1.00 0.68 N ATOM 1164 CA VAL A 60 -5.599 -4.918 -7.500 1.00 0.65 C ATOM 1165 C VAL A 60 -6.718 -4.625 -8.516 1.00 0.60 C ATOM 1166 O VAL A 60 -6.588 -3.740 -9.350 1.00 0.60 O ATOM 1167 CB VAL A 60 -5.513 -3.837 -6.394 1.00 0.66 C ATOM 1168 CG1 VAL A 60 -6.739 -2.909 -6.406 1.00 1.16 C ATOM 1169 CG2 VAL A 60 -5.436 -4.518 -5.029 1.00 1.29 C ATOM 0 H VAL A 60 -4.067 -3.880 -8.527 1.00 0.68 H new ATOM 0 HA VAL A 60 -5.810 -5.896 -7.067 1.00 0.65 H new ATOM 0 HB VAL A 60 -4.623 -3.238 -6.585 1.00 0.66 H new ATOM 0 HG11 VAL A 60 -6.640 -2.165 -5.615 1.00 1.16 H new ATOM 0 HG12 VAL A 60 -6.805 -2.406 -7.371 1.00 1.16 H new ATOM 0 HG13 VAL A 60 -7.642 -3.497 -6.240 1.00 1.16 H new ATOM 0 HG21 VAL A 60 -5.375 -3.761 -4.247 1.00 1.29 H new ATOM 0 HG22 VAL A 60 -6.327 -5.127 -4.876 1.00 1.29 H new ATOM 0 HG23 VAL A 60 -4.551 -5.153 -4.989 1.00 1.29 H new ATOM 1179 N GLN A 61 -7.807 -5.346 -8.455 1.00 0.63 N ATOM 1180 CA GLN A 61 -8.927 -5.099 -9.418 1.00 0.64 C ATOM 1181 C GLN A 61 -9.881 -4.037 -8.849 1.00 0.62 C ATOM 1182 O GLN A 61 -10.487 -4.223 -7.811 1.00 0.71 O ATOM 1183 CB GLN A 61 -9.636 -6.453 -9.573 1.00 0.74 C ATOM 1184 CG GLN A 61 -9.311 -7.053 -10.947 1.00 1.18 C ATOM 1185 CD GLN A 61 -9.277 -8.580 -10.845 1.00 1.75 C ATOM 1186 OE1 GLN A 61 -8.235 -9.182 -10.996 1.00 2.05 O ATOM 1187 NE2 GLN A 61 -10.373 -9.237 -10.595 1.00 2.52 N ATOM 0 H GLN A 61 -7.971 -6.095 -7.782 1.00 0.63 H new ATOM 0 HA GLN A 61 -8.575 -4.725 -10.379 1.00 0.64 H new ATOM 0 HB2 GLN A 61 -9.317 -7.134 -8.784 1.00 0.74 H new ATOM 0 HB3 GLN A 61 -10.713 -6.324 -9.467 1.00 0.74 H new ATOM 0 HG2 GLN A 61 -10.060 -6.744 -11.676 1.00 1.18 H new ATOM 0 HG3 GLN A 61 -8.349 -6.680 -11.300 1.00 1.18 H new ATOM 0 HE21 GLN A 61 -11.251 -8.734 -10.467 1.00 2.52 H new ATOM 0 HE22 GLN A 61 -10.353 -10.255 -10.527 1.00 2.52 H new ATOM 1196 N GLN A 62 -10.010 -2.920 -9.516 1.00 0.66 N ATOM 1197 CA GLN A 62 -10.914 -1.841 -9.010 1.00 0.71 C ATOM 1198 C GLN A 62 -12.241 -1.818 -9.786 1.00 0.81 C ATOM 1199 O GLN A 62 -12.265 -1.846 -11.002 1.00 0.87 O ATOM 1200 CB GLN A 62 -10.139 -0.529 -9.215 1.00 0.78 C ATOM 1201 CG GLN A 62 -10.112 -0.148 -10.704 1.00 0.86 C ATOM 1202 CD GLN A 62 -9.045 0.921 -10.940 1.00 1.28 C ATOM 1203 OE1 GLN A 62 -8.040 0.670 -11.576 1.00 1.53 O ATOM 1204 NE2 GLN A 62 -9.220 2.114 -10.452 1.00 1.69 N ATOM 0 H GLN A 62 -9.529 -2.707 -10.390 1.00 0.66 H new ATOM 0 HA GLN A 62 -11.177 -1.998 -7.964 1.00 0.71 H new ATOM 0 HB2 GLN A 62 -10.605 0.270 -8.637 1.00 0.78 H new ATOM 0 HB3 GLN A 62 -9.120 -0.639 -8.843 1.00 0.78 H new ATOM 0 HG2 GLN A 62 -9.900 -1.028 -11.311 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -11.089 0.224 -11.012 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -10.062 2.328 -9.918 1.00 1.69 H new ATOM 0 HE22 GLN A 62 -8.515 2.835 -10.604 1.00 1.69 H new ATOM 1213 N GLU A 63 -13.337 -1.749 -9.080 1.00 0.90 N ATOM 1214 CA GLU A 63 -14.673 -1.697 -9.744 1.00 1.04 C ATOM 1215 C GLU A 63 -15.410 -0.434 -9.269 1.00 1.09 C ATOM 1216 O GLU A 63 -15.283 -0.032 -8.124 1.00 1.02 O ATOM 1217 CB GLU A 63 -15.383 -2.989 -9.304 1.00 1.08 C ATOM 1218 CG GLU A 63 -16.916 -2.810 -9.332 1.00 1.57 C ATOM 1219 CD GLU A 63 -17.443 -2.768 -10.777 1.00 2.24 C ATOM 1220 OE1 GLU A 63 -16.641 -2.663 -11.692 1.00 2.68 O ATOM 1221 OE2 GLU A 63 -18.649 -2.833 -10.938 1.00 2.84 O ATOM 0 H GLU A 63 -13.365 -1.726 -8.061 1.00 0.90 H new ATOM 0 HA GLU A 63 -14.625 -1.641 -10.832 1.00 1.04 H new ATOM 0 HB2 GLU A 63 -15.096 -3.809 -9.962 1.00 1.08 H new ATOM 0 HB3 GLU A 63 -15.063 -3.261 -8.298 1.00 1.08 H new ATOM 0 HG2 GLU A 63 -17.391 -3.629 -8.792 1.00 1.57 H new ATOM 0 HG3 GLU A 63 -17.187 -1.889 -8.816 1.00 1.57 H new ATOM 1228 N GLY A 64 -16.156 0.206 -10.144 1.00 1.29 N ATOM 1229 CA GLY A 64 -16.890 1.469 -9.765 1.00 1.40 C ATOM 1230 C GLY A 64 -17.981 1.189 -8.718 1.00 1.30 C ATOM 1231 O GLY A 64 -19.135 1.526 -8.903 1.00 1.38 O ATOM 0 H GLY A 64 -16.291 -0.091 -11.110 1.00 1.29 H new ATOM 0 HA2 GLY A 64 -16.183 2.198 -9.370 1.00 1.40 H new ATOM 0 HA3 GLY A 64 -17.341 1.911 -10.654 1.00 1.40 H new ATOM 1235 N GLN A 65 -17.601 0.593 -7.617 1.00 1.21 N ATOM 1236 CA GLN A 65 -18.558 0.272 -6.504 1.00 1.28 C ATOM 1237 C GLN A 65 -17.812 -0.498 -5.400 1.00 1.25 C ATOM 1238 O GLN A 65 -18.048 -0.304 -4.222 1.00 1.41 O ATOM 1239 CB GLN A 65 -19.660 -0.611 -7.121 1.00 1.36 C ATOM 1240 CG GLN A 65 -20.786 -0.828 -6.094 1.00 1.53 C ATOM 1241 CD GLN A 65 -21.769 -1.889 -6.605 1.00 1.89 C ATOM 1242 OE1 GLN A 65 -22.943 -1.623 -6.748 1.00 2.23 O ATOM 1243 NE2 GLN A 65 -21.345 -3.089 -6.884 1.00 2.40 N ATOM 0 H GLN A 65 -16.640 0.306 -7.434 1.00 1.21 H new ATOM 0 HA GLN A 65 -18.984 1.172 -6.060 1.00 1.28 H new ATOM 0 HB2 GLN A 65 -20.059 -0.138 -8.018 1.00 1.36 H new ATOM 0 HB3 GLN A 65 -19.243 -1.571 -7.426 1.00 1.36 H new ATOM 0 HG2 GLN A 65 -20.363 -1.143 -5.140 1.00 1.53 H new ATOM 0 HG3 GLN A 65 -21.312 0.110 -5.916 1.00 1.53 H new ATOM 0 HE21 GLN A 65 -20.359 -3.322 -6.767 1.00 2.40 H new ATOM 0 HE22 GLN A 65 -21.999 -3.796 -7.220 1.00 2.40 H new ATOM 1252 N THR A 66 -16.909 -1.377 -5.778 1.00 1.11 N ATOM 1253 CA THR A 66 -16.145 -2.165 -4.758 1.00 1.14 C ATOM 1254 C THR A 66 -14.816 -2.668 -5.345 1.00 1.04 C ATOM 1255 O THR A 66 -14.798 -3.515 -6.214 1.00 1.41 O ATOM 1256 CB THR A 66 -17.053 -3.353 -4.415 1.00 1.28 C ATOM 1257 OG1 THR A 66 -18.285 -2.887 -3.870 1.00 1.39 O ATOM 1258 CG2 THR A 66 -16.357 -4.250 -3.392 1.00 1.64 C ATOM 0 H THR A 66 -16.670 -1.581 -6.748 1.00 1.11 H new ATOM 0 HA THR A 66 -15.897 -1.564 -3.883 1.00 1.14 H new ATOM 0 HB THR A 66 -17.254 -3.918 -5.325 1.00 1.28 H new ATOM 0 HG1 THR A 66 -18.185 -1.955 -3.585 1.00 1.39 H new ATOM 0 HG21 THR A 66 -17.003 -5.094 -3.149 1.00 1.64 H new ATOM 0 HG22 THR A 66 -15.420 -4.619 -3.809 1.00 1.64 H new ATOM 0 HG23 THR A 66 -16.151 -3.678 -2.487 1.00 1.64 H new ATOM 1266 N VAL A 67 -13.704 -2.172 -4.868 1.00 0.75 N ATOM 1267 CA VAL A 67 -12.385 -2.652 -5.398 1.00 0.67 C ATOM 1268 C VAL A 67 -12.083 -4.051 -4.835 1.00 0.68 C ATOM 1269 O VAL A 67 -12.553 -4.422 -3.774 1.00 0.77 O ATOM 1270 CB VAL A 67 -11.347 -1.621 -4.928 1.00 0.68 C ATOM 1271 CG1 VAL A 67 -9.944 -2.061 -5.359 1.00 0.74 C ATOM 1272 CG2 VAL A 67 -11.655 -0.264 -5.566 1.00 0.70 C ATOM 0 H VAL A 67 -13.648 -1.460 -4.140 1.00 0.75 H new ATOM 0 HA VAL A 67 -12.377 -2.738 -6.485 1.00 0.67 H new ATOM 0 HB VAL A 67 -11.389 -1.543 -3.842 1.00 0.68 H new ATOM 0 HG11 VAL A 67 -9.213 -1.326 -5.023 1.00 0.74 H new ATOM 0 HG12 VAL A 67 -9.714 -3.030 -4.916 1.00 0.74 H new ATOM 0 HG13 VAL A 67 -9.905 -2.141 -6.445 1.00 0.74 H new ATOM 0 HG21 VAL A 67 -10.920 0.469 -5.234 1.00 0.70 H new ATOM 0 HG22 VAL A 67 -11.613 -0.354 -6.651 1.00 0.70 H new ATOM 0 HG23 VAL A 67 -12.652 0.061 -5.267 1.00 0.70 H new ATOM 1282 N MET A 68 -11.325 -4.842 -5.542 1.00 0.68 N ATOM 1283 CA MET A 68 -11.023 -6.218 -5.045 1.00 0.75 C ATOM 1284 C MET A 68 -9.535 -6.560 -5.219 1.00 0.74 C ATOM 1285 O MET A 68 -8.922 -6.246 -6.226 1.00 0.80 O ATOM 1286 CB MET A 68 -11.896 -7.138 -5.905 1.00 0.90 C ATOM 1287 CG MET A 68 -11.895 -8.553 -5.314 1.00 1.49 C ATOM 1288 SD MET A 68 -11.966 -9.775 -6.652 1.00 1.97 S ATOM 1289 CE MET A 68 -13.691 -10.283 -6.427 1.00 2.68 C ATOM 0 H MET A 68 -10.902 -4.599 -6.438 1.00 0.68 H new ATOM 0 HA MET A 68 -11.231 -6.322 -3.980 1.00 0.75 H new ATOM 0 HB2 MET A 68 -12.915 -6.752 -5.948 1.00 0.90 H new ATOM 0 HB3 MET A 68 -11.520 -7.160 -6.928 1.00 0.90 H new ATOM 0 HG2 MET A 68 -10.997 -8.707 -4.715 1.00 1.49 H new ATOM 0 HG3 MET A 68 -12.748 -8.680 -4.647 1.00 1.49 H new ATOM 0 HE1 MET A 68 -13.999 -10.907 -7.266 1.00 2.68 H new ATOM 0 HE2 MET A 68 -13.786 -10.848 -5.500 1.00 2.68 H new ATOM 0 HE3 MET A 68 -14.327 -9.399 -6.380 1.00 2.68 H new ATOM 1299 N LEU A 69 -8.959 -7.217 -4.246 1.00 0.75 N ATOM 1300 CA LEU A 69 -7.520 -7.603 -4.345 1.00 0.84 C ATOM 1301 C LEU A 69 -7.397 -9.071 -4.784 1.00 0.92 C ATOM 1302 O LEU A 69 -8.385 -9.759 -4.965 1.00 0.92 O ATOM 1303 CB LEU A 69 -6.950 -7.410 -2.936 1.00 0.92 C ATOM 1304 CG LEU A 69 -5.485 -6.978 -3.042 1.00 1.10 C ATOM 1305 CD1 LEU A 69 -5.247 -5.723 -2.206 1.00 1.67 C ATOM 1306 CD2 LEU A 69 -4.584 -8.099 -2.530 1.00 1.41 C ATOM 0 H LEU A 69 -9.425 -7.504 -3.385 1.00 0.75 H new ATOM 0 HA LEU A 69 -6.983 -7.004 -5.080 1.00 0.84 H new ATOM 0 HB2 LEU A 69 -7.526 -6.657 -2.398 1.00 0.92 H new ATOM 0 HB3 LEU A 69 -7.028 -8.337 -2.369 1.00 0.92 H new ATOM 0 HG LEU A 69 -5.254 -6.765 -4.086 1.00 1.10 H new ATOM 0 HD11 LEU A 69 -4.202 -5.424 -2.288 1.00 1.67 H new ATOM 0 HD12 LEU A 69 -5.885 -4.917 -2.570 1.00 1.67 H new ATOM 0 HD13 LEU A 69 -5.484 -5.931 -1.163 1.00 1.67 H new ATOM 0 HD21 LEU A 69 -3.541 -7.791 -2.606 1.00 1.41 H new ATOM 0 HD22 LEU A 69 -4.825 -8.312 -1.489 1.00 1.41 H new ATOM 0 HD23 LEU A 69 -4.742 -8.995 -3.130 1.00 1.41 H new ATOM 1318 N GLY A 70 -6.190 -9.553 -4.958 1.00 1.06 N ATOM 1319 CA GLY A 70 -5.984 -10.978 -5.392 1.00 1.21 C ATOM 1320 C GLY A 70 -6.337 -11.961 -4.259 1.00 1.25 C ATOM 1321 O GLY A 70 -5.563 -12.839 -3.940 1.00 1.37 O ATOM 0 H GLY A 70 -5.332 -9.020 -4.818 1.00 1.06 H new ATOM 0 HA2 GLY A 70 -6.602 -11.188 -6.265 1.00 1.21 H new ATOM 0 HA3 GLY A 70 -4.947 -11.123 -5.693 1.00 1.21 H new ATOM 1325 N ASN A 71 -7.507 -11.833 -3.672 1.00 1.31 N ATOM 1326 CA ASN A 71 -7.938 -12.770 -2.568 1.00 1.43 C ATOM 1327 C ASN A 71 -9.289 -12.330 -1.975 1.00 1.38 C ATOM 1328 O ASN A 71 -10.113 -13.153 -1.635 1.00 1.70 O ATOM 1329 CB ASN A 71 -6.837 -12.706 -1.484 1.00 1.77 C ATOM 1330 CG ASN A 71 -7.144 -13.665 -0.314 1.00 2.47 C ATOM 1331 OD1 ASN A 71 -7.858 -14.635 -0.469 1.00 3.20 O ATOM 1332 ND2 ASN A 71 -6.620 -13.435 0.863 1.00 2.93 N ATOM 0 H ASN A 71 -8.191 -11.114 -3.910 1.00 1.31 H new ATOM 0 HA ASN A 71 -8.066 -13.783 -2.948 1.00 1.43 H new ATOM 0 HB2 ASN A 71 -5.874 -12.964 -1.925 1.00 1.77 H new ATOM 0 HB3 ASN A 71 -6.753 -11.686 -1.108 1.00 1.77 H new ATOM 0 HD21 ASN A 71 -6.813 -14.068 1.640 1.00 2.93 H new ATOM 0 HD22 ASN A 71 -6.019 -12.623 1.004 1.00 2.93 H new ATOM 1339 N SER A 72 -9.519 -11.045 -1.818 1.00 1.23 N ATOM 1340 CA SER A 72 -10.814 -10.601 -1.208 1.00 1.40 C ATOM 1341 C SER A 72 -11.331 -9.278 -1.797 1.00 1.19 C ATOM 1342 O SER A 72 -10.616 -8.537 -2.452 1.00 1.05 O ATOM 1343 CB SER A 72 -10.491 -10.423 0.278 1.00 1.81 C ATOM 1344 OG SER A 72 -10.703 -11.658 0.954 1.00 2.24 O ATOM 0 H SER A 72 -8.878 -10.297 -2.081 1.00 1.23 H new ATOM 0 HA SER A 72 -11.603 -11.328 -1.401 1.00 1.40 H new ATOM 0 HB2 SER A 72 -9.457 -10.100 0.402 1.00 1.81 H new ATOM 0 HB3 SER A 72 -11.122 -9.646 0.709 1.00 1.81 H new ATOM 0 HG SER A 72 -10.623 -12.398 0.316 1.00 2.24 H new ATOM 1350 N GLU A 73 -12.584 -8.990 -1.531 1.00 1.25 N ATOM 1351 CA GLU A 73 -13.226 -7.723 -2.014 1.00 1.11 C ATOM 1352 C GLU A 73 -12.997 -6.610 -0.977 1.00 1.03 C ATOM 1353 O GLU A 73 -13.011 -6.861 0.213 1.00 1.33 O ATOM 1354 CB GLU A 73 -14.721 -8.066 -2.111 1.00 1.35 C ATOM 1355 CG GLU A 73 -15.196 -7.942 -3.569 1.00 1.70 C ATOM 1356 CD GLU A 73 -15.749 -9.281 -4.073 1.00 2.33 C ATOM 1357 OE1 GLU A 73 -15.240 -10.313 -3.663 1.00 2.90 O ATOM 1358 OE2 GLU A 73 -16.665 -9.249 -4.878 1.00 2.81 O ATOM 0 H GLU A 73 -13.202 -9.593 -0.988 1.00 1.25 H new ATOM 0 HA GLU A 73 -12.823 -7.372 -2.964 1.00 1.11 H new ATOM 0 HB2 GLU A 73 -14.894 -9.079 -1.748 1.00 1.35 H new ATOM 0 HB3 GLU A 73 -15.298 -7.396 -1.474 1.00 1.35 H new ATOM 0 HG2 GLU A 73 -15.966 -7.174 -3.642 1.00 1.70 H new ATOM 0 HG3 GLU A 73 -14.367 -7.624 -4.201 1.00 1.70 H new ATOM 1365 N PHE A 74 -12.778 -5.389 -1.402 1.00 0.82 N ATOM 1366 CA PHE A 74 -12.541 -4.293 -0.408 1.00 0.95 C ATOM 1367 C PHE A 74 -13.180 -2.966 -0.864 1.00 0.90 C ATOM 1368 O PHE A 74 -13.136 -2.601 -2.026 1.00 0.95 O ATOM 1369 CB PHE A 74 -11.016 -4.170 -0.335 1.00 1.11 C ATOM 1370 CG PHE A 74 -10.500 -4.929 0.872 1.00 1.35 C ATOM 1371 CD1 PHE A 74 -10.380 -4.279 2.101 1.00 1.90 C ATOM 1372 CD2 PHE A 74 -10.141 -6.277 0.761 1.00 1.83 C ATOM 1373 CE1 PHE A 74 -9.902 -4.968 3.222 1.00 2.42 C ATOM 1374 CE2 PHE A 74 -9.663 -6.970 1.884 1.00 2.31 C ATOM 1375 CZ PHE A 74 -9.543 -6.314 3.114 1.00 2.46 C ATOM 0 H PHE A 74 -12.753 -5.105 -2.381 1.00 0.82 H new ATOM 0 HA PHE A 74 -12.990 -4.516 0.560 1.00 0.95 H new ATOM 0 HB2 PHE A 74 -10.565 -4.565 -1.245 1.00 1.11 H new ATOM 0 HB3 PHE A 74 -10.729 -3.121 -0.267 1.00 1.11 H new ATOM 0 HD1 PHE A 74 -10.657 -3.239 2.188 1.00 1.90 H new ATOM 0 HD2 PHE A 74 -10.232 -6.784 -0.188 1.00 1.83 H new ATOM 0 HE1 PHE A 74 -9.811 -4.459 4.170 1.00 2.42 H new ATOM 0 HE2 PHE A 74 -9.388 -8.011 1.799 1.00 2.31 H new ATOM 0 HZ PHE A 74 -9.174 -6.847 3.978 1.00 2.46 H new ATOM 1385 N ASP A 75 -13.763 -2.235 0.052 1.00 0.90 N ATOM 1386 CA ASP A 75 -14.393 -0.929 -0.313 1.00 0.94 C ATOM 1387 C ASP A 75 -13.297 0.086 -0.674 1.00 0.86 C ATOM 1388 O ASP A 75 -12.832 0.840 0.163 1.00 1.24 O ATOM 1389 CB ASP A 75 -15.159 -0.493 0.941 1.00 1.14 C ATOM 1390 CG ASP A 75 -16.230 0.529 0.564 1.00 1.49 C ATOM 1391 OD1 ASP A 75 -15.874 1.675 0.347 1.00 2.14 O ATOM 1392 OD2 ASP A 75 -17.388 0.147 0.499 1.00 1.84 O ATOM 0 H ASP A 75 -13.830 -2.486 1.038 1.00 0.90 H new ATOM 0 HA ASP A 75 -15.055 -1.004 -1.176 1.00 0.94 H new ATOM 0 HB2 ASP A 75 -15.621 -1.359 1.416 1.00 1.14 H new ATOM 0 HB3 ASP A 75 -14.470 -0.061 1.667 1.00 1.14 H new ATOM 1397 N SER A 76 -12.871 0.087 -1.921 1.00 0.72 N ATOM 1398 CA SER A 76 -11.787 1.023 -2.371 1.00 0.80 C ATOM 1399 C SER A 76 -10.431 0.577 -1.779 1.00 0.75 C ATOM 1400 O SER A 76 -10.346 0.243 -0.614 1.00 1.39 O ATOM 1401 CB SER A 76 -12.210 2.401 -1.849 1.00 0.97 C ATOM 1402 OG SER A 76 -11.593 3.402 -2.632 1.00 1.74 O ATOM 0 H SER A 76 -13.233 -0.527 -2.651 1.00 0.72 H new ATOM 0 HA SER A 76 -11.660 1.037 -3.453 1.00 0.80 H new ATOM 0 HB2 SER A 76 -13.294 2.503 -1.894 1.00 0.97 H new ATOM 0 HB3 SER A 76 -11.923 2.511 -0.803 1.00 0.97 H new ATOM 0 HG SER A 76 -10.621 3.283 -2.607 1.00 1.74 H new ATOM 1408 N LEU A 77 -9.371 0.552 -2.573 1.00 0.82 N ATOM 1409 CA LEU A 77 -8.019 0.105 -2.047 1.00 0.66 C ATOM 1410 C LEU A 77 -7.773 0.645 -0.633 1.00 0.62 C ATOM 1411 O LEU A 77 -7.238 -0.041 0.220 1.00 0.61 O ATOM 1412 CB LEU A 77 -6.970 0.673 -3.016 1.00 0.81 C ATOM 1413 CG LEU A 77 -6.553 -0.402 -4.025 1.00 0.66 C ATOM 1414 CD1 LEU A 77 -6.586 0.190 -5.432 1.00 0.80 C ATOM 1415 CD2 LEU A 77 -5.129 -0.885 -3.726 1.00 1.01 C ATOM 0 H LEU A 77 -9.381 0.820 -3.557 1.00 0.82 H new ATOM 0 HA LEU A 77 -7.968 -0.982 -1.988 1.00 0.66 H new ATOM 0 HB2 LEU A 77 -7.377 1.537 -3.540 1.00 0.81 H new ATOM 0 HB3 LEU A 77 -6.099 1.019 -2.460 1.00 0.81 H new ATOM 0 HG LEU A 77 -7.243 -1.243 -3.951 1.00 0.66 H new ATOM 0 HD11 LEU A 77 -6.290 -0.571 -6.154 1.00 0.80 H new ATOM 0 HD12 LEU A 77 -7.596 0.532 -5.659 1.00 0.80 H new ATOM 0 HD13 LEU A 77 -5.896 1.032 -5.489 1.00 0.80 H new ATOM 0 HD21 LEU A 77 -4.844 -1.649 -4.450 1.00 1.01 H new ATOM 0 HD22 LEU A 77 -4.438 -0.045 -3.794 1.00 1.01 H new ATOM 0 HD23 LEU A 77 -5.091 -1.305 -2.721 1.00 1.01 H new ATOM 1427 N VAL A 78 -8.177 1.865 -0.380 1.00 0.65 N ATOM 1428 CA VAL A 78 -7.993 2.465 0.976 1.00 0.67 C ATOM 1429 C VAL A 78 -8.483 1.509 2.076 1.00 0.60 C ATOM 1430 O VAL A 78 -7.931 1.489 3.154 1.00 0.61 O ATOM 1431 CB VAL A 78 -8.836 3.748 0.970 1.00 0.75 C ATOM 1432 CG1 VAL A 78 -10.268 3.435 0.526 1.00 1.12 C ATOM 1433 CG2 VAL A 78 -8.875 4.336 2.382 1.00 1.26 C ATOM 0 H VAL A 78 -8.630 2.475 -1.061 1.00 0.65 H new ATOM 0 HA VAL A 78 -6.942 2.664 1.184 1.00 0.67 H new ATOM 0 HB VAL A 78 -8.389 4.461 0.278 1.00 0.75 H new ATOM 0 HG11 VAL A 78 -10.857 4.352 0.525 1.00 1.12 H new ATOM 0 HG12 VAL A 78 -10.253 3.012 -0.479 1.00 1.12 H new ATOM 0 HG13 VAL A 78 -10.714 2.718 1.215 1.00 1.12 H new ATOM 0 HG21 VAL A 78 -9.473 5.247 2.380 1.00 1.26 H new ATOM 0 HG22 VAL A 78 -9.319 3.612 3.065 1.00 1.26 H new ATOM 0 HG23 VAL A 78 -7.861 4.568 2.708 1.00 1.26 H new ATOM 1443 N ASP A 79 -9.508 0.724 1.818 1.00 0.58 N ATOM 1444 CA ASP A 79 -10.023 -0.220 2.862 1.00 0.57 C ATOM 1445 C ASP A 79 -8.918 -1.213 3.285 1.00 0.55 C ATOM 1446 O ASP A 79 -8.417 -1.142 4.397 1.00 0.53 O ATOM 1447 CB ASP A 79 -11.217 -0.924 2.191 1.00 0.70 C ATOM 1448 CG ASP A 79 -12.034 -1.733 3.208 1.00 1.17 C ATOM 1449 OD1 ASP A 79 -11.863 -1.524 4.399 1.00 1.81 O ATOM 1450 OD2 ASP A 79 -12.826 -2.553 2.768 1.00 1.75 O ATOM 0 H ASP A 79 -10.008 0.698 0.929 1.00 0.58 H new ATOM 0 HA ASP A 79 -10.326 0.283 3.780 1.00 0.57 H new ATOM 0 HB2 ASP A 79 -11.858 -0.182 1.715 1.00 0.70 H new ATOM 0 HB3 ASP A 79 -10.856 -1.585 1.404 1.00 0.70 H new ATOM 1455 N LEU A 80 -8.520 -2.127 2.419 1.00 0.63 N ATOM 1456 CA LEU A 80 -7.432 -3.098 2.812 1.00 0.67 C ATOM 1457 C LEU A 80 -6.171 -2.334 3.245 1.00 0.62 C ATOM 1458 O LEU A 80 -5.510 -2.706 4.200 1.00 0.65 O ATOM 1459 CB LEU A 80 -7.136 -4.038 1.611 1.00 0.79 C ATOM 1460 CG LEU A 80 -7.215 -3.331 0.246 1.00 0.87 C ATOM 1461 CD1 LEU A 80 -5.824 -2.887 -0.196 1.00 1.09 C ATOM 1462 CD2 LEU A 80 -7.759 -4.318 -0.786 1.00 1.12 C ATOM 0 H LEU A 80 -8.892 -2.243 1.476 1.00 0.63 H new ATOM 0 HA LEU A 80 -7.760 -3.701 3.659 1.00 0.67 H new ATOM 0 HB2 LEU A 80 -6.142 -4.468 1.732 1.00 0.79 H new ATOM 0 HB3 LEU A 80 -7.845 -4.866 1.624 1.00 0.79 H new ATOM 0 HG LEU A 80 -7.865 -2.460 0.330 1.00 0.87 H new ATOM 0 HD11 LEU A 80 -5.891 -2.388 -1.163 1.00 1.09 H new ATOM 0 HD12 LEU A 80 -5.411 -2.197 0.540 1.00 1.09 H new ATOM 0 HD13 LEU A 80 -5.174 -3.758 -0.282 1.00 1.09 H new ATOM 0 HD21 LEU A 80 -7.820 -3.830 -1.759 1.00 1.12 H new ATOM 0 HD22 LEU A 80 -7.093 -5.178 -0.853 1.00 1.12 H new ATOM 0 HD23 LEU A 80 -8.752 -4.650 -0.483 1.00 1.12 H new ATOM 1474 N ILE A 81 -5.850 -1.248 2.586 1.00 0.58 N ATOM 1475 CA ILE A 81 -4.654 -0.455 3.011 1.00 0.59 C ATOM 1476 C ILE A 81 -4.923 0.113 4.412 1.00 0.64 C ATOM 1477 O ILE A 81 -4.102 -0.004 5.300 1.00 0.71 O ATOM 1478 CB ILE A 81 -4.486 0.657 1.966 1.00 0.60 C ATOM 1479 CG1 ILE A 81 -4.335 0.040 0.574 1.00 0.62 C ATOM 1480 CG2 ILE A 81 -3.225 1.461 2.270 1.00 0.68 C ATOM 1481 CD1 ILE A 81 -3.024 -0.748 0.498 1.00 0.65 C ATOM 0 H ILE A 81 -6.357 -0.879 1.782 1.00 0.58 H new ATOM 0 HA ILE A 81 -3.742 -1.050 3.066 1.00 0.59 H new ATOM 0 HB ILE A 81 -5.363 1.303 1.998 1.00 0.60 H new ATOM 0 HG12 ILE A 81 -5.178 -0.618 0.364 1.00 0.62 H new ATOM 0 HG13 ILE A 81 -4.344 0.823 -0.184 1.00 0.62 H new ATOM 0 HG21 ILE A 81 -3.108 2.250 1.527 1.00 0.68 H new ATOM 0 HG22 ILE A 81 -3.308 1.906 3.261 1.00 0.68 H new ATOM 0 HG23 ILE A 81 -2.357 0.802 2.239 1.00 0.68 H new ATOM 0 HD11 ILE A 81 -2.920 -1.186 -0.495 1.00 0.65 H new ATOM 0 HD12 ILE A 81 -2.185 -0.078 0.689 1.00 0.65 H new ATOM 0 HD13 ILE A 81 -3.032 -1.541 1.246 1.00 0.65 H new ATOM 1493 N SER A 82 -6.091 0.679 4.631 1.00 0.64 N ATOM 1494 CA SER A 82 -6.429 1.199 5.994 1.00 0.72 C ATOM 1495 C SER A 82 -6.279 0.059 7.002 1.00 0.74 C ATOM 1496 O SER A 82 -5.729 0.233 8.076 1.00 0.78 O ATOM 1497 CB SER A 82 -7.886 1.648 5.915 1.00 0.81 C ATOM 1498 OG SER A 82 -7.970 2.858 5.168 1.00 1.26 O ATOM 0 H SER A 82 -6.819 0.801 3.927 1.00 0.64 H new ATOM 0 HA SER A 82 -5.782 2.019 6.305 1.00 0.72 H new ATOM 0 HB2 SER A 82 -8.491 0.874 5.443 1.00 0.81 H new ATOM 0 HB3 SER A 82 -8.286 1.798 6.918 1.00 0.81 H new ATOM 0 HG SER A 82 -7.800 2.670 4.221 1.00 1.26 H new ATOM 1504 N TYR A 83 -6.733 -1.123 6.638 1.00 0.72 N ATOM 1505 CA TYR A 83 -6.576 -2.304 7.544 1.00 0.78 C ATOM 1506 C TYR A 83 -5.085 -2.454 7.878 1.00 0.78 C ATOM 1507 O TYR A 83 -4.708 -2.683 9.014 1.00 0.86 O ATOM 1508 CB TYR A 83 -7.049 -3.519 6.725 1.00 0.80 C ATOM 1509 CG TYR A 83 -8.334 -4.107 7.292 1.00 1.19 C ATOM 1510 CD1 TYR A 83 -8.306 -4.864 8.471 1.00 1.77 C ATOM 1511 CD2 TYR A 83 -9.551 -3.912 6.624 1.00 1.97 C ATOM 1512 CE1 TYR A 83 -9.493 -5.425 8.977 1.00 2.34 C ATOM 1513 CE2 TYR A 83 -10.735 -4.477 7.130 1.00 2.57 C ATOM 1514 CZ TYR A 83 -10.705 -5.230 8.307 1.00 2.54 C ATOM 1515 OH TYR A 83 -11.869 -5.786 8.808 1.00 3.27 O ATOM 0 H TYR A 83 -7.204 -1.316 5.754 1.00 0.72 H new ATOM 0 HA TYR A 83 -7.140 -2.205 8.472 1.00 0.78 H new ATOM 0 HB2 TYR A 83 -7.210 -3.221 5.689 1.00 0.80 H new ATOM 0 HB3 TYR A 83 -6.270 -4.281 6.720 1.00 0.80 H new ATOM 0 HD1 TYR A 83 -7.372 -5.017 8.992 1.00 1.77 H new ATOM 0 HD2 TYR A 83 -9.579 -3.326 5.717 1.00 1.97 H new ATOM 0 HE1 TYR A 83 -9.468 -6.008 9.886 1.00 2.34 H new ATOM 0 HE2 TYR A 83 -11.669 -4.329 6.608 1.00 2.57 H new ATOM 0 HH TYR A 83 -12.620 -5.554 8.223 1.00 3.27 H new ATOM 1525 N TYR A 84 -4.237 -2.309 6.880 1.00 0.72 N ATOM 1526 CA TYR A 84 -2.766 -2.430 7.110 1.00 0.76 C ATOM 1527 C TYR A 84 -2.294 -1.375 8.105 1.00 0.79 C ATOM 1528 O TYR A 84 -1.606 -1.688 9.052 1.00 0.91 O ATOM 1529 CB TYR A 84 -2.106 -2.251 5.735 1.00 0.77 C ATOM 1530 CG TYR A 84 -1.564 -3.595 5.314 1.00 0.99 C ATOM 1531 CD1 TYR A 84 -0.694 -4.281 6.168 1.00 1.44 C ATOM 1532 CD2 TYR A 84 -1.952 -4.173 4.102 1.00 1.63 C ATOM 1533 CE1 TYR A 84 -0.214 -5.544 5.817 1.00 1.91 C ATOM 1534 CE2 TYR A 84 -1.463 -5.438 3.749 1.00 2.09 C ATOM 1535 CZ TYR A 84 -0.595 -6.122 4.611 1.00 2.06 C ATOM 1536 OH TYR A 84 -0.125 -7.374 4.278 1.00 2.66 O ATOM 0 H TYR A 84 -4.507 -2.112 5.916 1.00 0.72 H new ATOM 0 HA TYR A 84 -2.500 -3.395 7.541 1.00 0.76 H new ATOM 0 HB2 TYR A 84 -2.830 -1.884 5.007 1.00 0.77 H new ATOM 0 HB3 TYR A 84 -1.305 -1.514 5.787 1.00 0.77 H new ATOM 0 HD1 TYR A 84 -0.392 -3.832 7.103 1.00 1.44 H new ATOM 0 HD2 TYR A 84 -2.625 -3.647 3.441 1.00 1.63 H new ATOM 0 HE1 TYR A 84 0.453 -6.072 6.482 1.00 1.91 H new ATOM 0 HE2 TYR A 84 -1.756 -5.887 2.811 1.00 2.09 H new ATOM 0 HH TYR A 84 -0.588 -8.051 4.815 1.00 2.66 H new ATOM 1546 N GLU A 85 -2.670 -0.135 7.927 1.00 0.73 N ATOM 1547 CA GLU A 85 -2.243 0.905 8.914 1.00 0.83 C ATOM 1548 C GLU A 85 -2.725 0.507 10.302 1.00 0.90 C ATOM 1549 O GLU A 85 -1.986 0.522 11.275 1.00 1.05 O ATOM 1550 CB GLU A 85 -2.940 2.198 8.521 1.00 0.83 C ATOM 1551 CG GLU A 85 -2.495 3.276 9.515 1.00 1.02 C ATOM 1552 CD GLU A 85 -3.380 4.500 9.405 1.00 1.65 C ATOM 1553 OE1 GLU A 85 -4.444 4.486 9.998 1.00 2.27 O ATOM 1554 OE2 GLU A 85 -2.967 5.446 8.762 1.00 2.33 O ATOM 0 H GLU A 85 -3.245 0.200 7.154 1.00 0.73 H new ATOM 0 HA GLU A 85 -1.158 1.014 8.921 1.00 0.83 H new ATOM 0 HB2 GLU A 85 -2.676 2.482 7.502 1.00 0.83 H new ATOM 0 HB3 GLU A 85 -4.023 2.074 8.547 1.00 0.83 H new ATOM 0 HG2 GLU A 85 -2.536 2.881 10.530 1.00 1.02 H new ATOM 0 HG3 GLU A 85 -1.458 3.551 9.321 1.00 1.02 H new ATOM 1561 N LYS A 86 -3.977 0.158 10.392 1.00 0.86 N ATOM 1562 CA LYS A 86 -4.547 -0.254 11.699 1.00 0.98 C ATOM 1563 C LYS A 86 -3.785 -1.487 12.219 1.00 1.02 C ATOM 1564 O LYS A 86 -3.407 -1.538 13.374 1.00 1.17 O ATOM 1565 CB LYS A 86 -6.021 -0.570 11.398 1.00 1.03 C ATOM 1566 CG LYS A 86 -6.908 0.579 11.899 1.00 1.34 C ATOM 1567 CD LYS A 86 -6.611 1.845 11.088 1.00 1.27 C ATOM 1568 CE LYS A 86 -6.538 3.054 12.021 1.00 2.02 C ATOM 1569 NZ LYS A 86 -6.580 4.231 11.113 1.00 2.40 N ATOM 0 H LYS A 86 -4.632 0.141 9.610 1.00 0.86 H new ATOM 0 HA LYS A 86 -4.463 0.509 12.473 1.00 0.98 H new ATOM 0 HB2 LYS A 86 -6.162 -0.710 10.326 1.00 1.03 H new ATOM 0 HB3 LYS A 86 -6.309 -1.503 11.882 1.00 1.03 H new ATOM 0 HG2 LYS A 86 -7.960 0.310 11.801 1.00 1.34 H new ATOM 0 HG3 LYS A 86 -6.723 0.761 12.958 1.00 1.34 H new ATOM 0 HD2 LYS A 86 -5.669 1.731 10.551 1.00 1.27 H new ATOM 0 HD3 LYS A 86 -7.388 1.999 10.339 1.00 1.27 H new ATOM 0 HE2 LYS A 86 -7.372 3.064 12.722 1.00 2.02 H new ATOM 0 HE3 LYS A 86 -5.623 3.043 12.614 1.00 2.02 H new ATOM 0 HZ1 LYS A 86 -7.046 5.026 11.596 1.00 2.40 H new ATOM 0 HZ2 LYS A 86 -5.611 4.504 10.854 1.00 2.40 H new ATOM 0 HZ3 LYS A 86 -7.113 3.988 10.254 1.00 2.40 H new ATOM 1583 N HIS A 87 -3.536 -2.467 11.369 1.00 0.97 N ATOM 1584 CA HIS A 87 -2.782 -3.690 11.817 1.00 1.05 C ATOM 1585 C HIS A 87 -1.499 -3.918 10.975 1.00 1.03 C ATOM 1586 O HIS A 87 -1.425 -4.851 10.192 1.00 1.15 O ATOM 1587 CB HIS A 87 -3.778 -4.841 11.631 1.00 1.18 C ATOM 1588 CG HIS A 87 -4.135 -5.404 12.981 1.00 1.38 C ATOM 1589 ND1 HIS A 87 -3.360 -6.372 13.603 1.00 2.18 N ATOM 1590 CD2 HIS A 87 -5.157 -5.121 13.854 1.00 1.70 C ATOM 1591 CE1 HIS A 87 -3.917 -6.630 14.801 1.00 2.64 C ATOM 1592 NE2 HIS A 87 -5.016 -5.896 15.004 1.00 2.23 N ATOM 0 H HIS A 87 -3.822 -2.471 10.390 1.00 0.97 H new ATOM 0 HA HIS A 87 -2.436 -3.599 12.846 1.00 1.05 H new ATOM 0 HB2 HIS A 87 -4.674 -4.485 11.123 1.00 1.18 H new ATOM 0 HB3 HIS A 87 -3.342 -5.618 11.002 1.00 1.18 H new ATOM 0 HD2 HIS A 87 -5.948 -4.408 13.677 1.00 1.70 H new ATOM 0 HE1 HIS A 87 -3.524 -7.343 15.511 1.00 2.64 H new ATOM 0 HE2 HIS A 87 -5.622 -5.902 15.825 1.00 2.23 H new ATOM 1600 N PRO A 88 -0.520 -3.054 11.174 1.00 0.98 N ATOM 1601 CA PRO A 88 0.773 -3.154 10.445 1.00 1.04 C ATOM 1602 C PRO A 88 1.831 -3.948 11.262 1.00 0.98 C ATOM 1603 O PRO A 88 2.375 -4.927 10.786 1.00 1.30 O ATOM 1604 CB PRO A 88 1.169 -1.689 10.306 1.00 1.22 C ATOM 1605 CG PRO A 88 0.502 -0.970 11.449 1.00 1.23 C ATOM 1606 CD PRO A 88 -0.525 -1.898 12.061 1.00 1.00 C ATOM 0 HA PRO A 88 0.700 -3.686 9.496 1.00 1.04 H new ATOM 0 HB2 PRO A 88 2.252 -1.571 10.349 1.00 1.22 H new ATOM 0 HB3 PRO A 88 0.843 -1.286 9.347 1.00 1.22 H new ATOM 0 HG2 PRO A 88 1.240 -0.676 12.195 1.00 1.23 H new ATOM 0 HG3 PRO A 88 0.025 -0.056 11.096 1.00 1.23 H new ATOM 0 HD2 PRO A 88 -0.257 -2.175 13.081 1.00 1.00 H new ATOM 0 HD3 PRO A 88 -1.509 -1.432 12.105 1.00 1.00 H new ATOM 1614 N LEU A 89 2.117 -3.522 12.487 1.00 1.01 N ATOM 1615 CA LEU A 89 3.121 -4.225 13.387 1.00 1.24 C ATOM 1616 C LEU A 89 4.592 -4.088 12.907 1.00 1.18 C ATOM 1617 O LEU A 89 5.497 -4.136 13.713 1.00 1.95 O ATOM 1618 CB LEU A 89 2.730 -5.716 13.421 1.00 1.52 C ATOM 1619 CG LEU A 89 1.340 -5.950 14.060 1.00 1.77 C ATOM 1620 CD1 LEU A 89 1.090 -5.001 15.241 1.00 1.95 C ATOM 1621 CD2 LEU A 89 0.245 -5.747 13.012 1.00 1.82 C ATOM 0 H LEU A 89 1.688 -2.699 12.910 1.00 1.01 H new ATOM 0 HA LEU A 89 3.084 -3.758 14.371 1.00 1.24 H new ATOM 0 HB2 LEU A 89 2.731 -6.112 12.405 1.00 1.52 H new ATOM 0 HB3 LEU A 89 3.482 -6.273 13.980 1.00 1.52 H new ATOM 0 HG LEU A 89 1.318 -6.974 14.434 1.00 1.77 H new ATOM 0 HD11 LEU A 89 0.104 -5.197 15.662 1.00 1.95 H new ATOM 0 HD12 LEU A 89 1.850 -5.163 16.005 1.00 1.95 H new ATOM 0 HD13 LEU A 89 1.138 -3.969 14.895 1.00 1.95 H new ATOM 0 HD21 LEU A 89 -0.731 -5.913 13.468 1.00 1.82 H new ATOM 0 HD22 LEU A 89 0.296 -4.729 12.625 1.00 1.82 H new ATOM 0 HD23 LEU A 89 0.388 -6.454 12.195 1.00 1.82 H new ATOM 1633 N TYR A 90 4.849 -3.960 11.626 1.00 1.12 N ATOM 1634 CA TYR A 90 6.271 -3.868 11.119 1.00 1.06 C ATOM 1635 C TYR A 90 7.044 -2.670 11.727 1.00 1.15 C ATOM 1636 O TYR A 90 7.331 -1.706 11.050 1.00 1.87 O ATOM 1637 CB TYR A 90 6.124 -3.655 9.611 1.00 1.07 C ATOM 1638 CG TYR A 90 6.000 -4.952 8.849 1.00 1.09 C ATOM 1639 CD1 TYR A 90 7.108 -5.779 8.657 1.00 1.54 C ATOM 1640 CD2 TYR A 90 4.774 -5.285 8.281 1.00 1.71 C ATOM 1641 CE1 TYR A 90 6.978 -6.953 7.895 1.00 1.70 C ATOM 1642 CE2 TYR A 90 4.644 -6.440 7.509 1.00 1.84 C ATOM 1643 CZ TYR A 90 5.745 -7.279 7.315 1.00 1.47 C ATOM 1644 OH TYR A 90 5.618 -8.407 6.520 1.00 1.77 O ATOM 0 H TYR A 90 4.134 -3.914 10.900 1.00 1.12 H new ATOM 0 HA TYR A 90 6.835 -4.761 11.390 1.00 1.06 H new ATOM 0 HB2 TYR A 90 5.245 -3.040 9.419 1.00 1.07 H new ATOM 0 HB3 TYR A 90 6.987 -3.102 9.240 1.00 1.07 H new ATOM 0 HD1 TYR A 90 8.061 -5.518 9.092 1.00 1.54 H new ATOM 0 HD2 TYR A 90 3.918 -4.646 8.439 1.00 1.71 H new ATOM 0 HE1 TYR A 90 7.829 -7.604 7.757 1.00 1.70 H new ATOM 0 HE2 TYR A 90 3.692 -6.686 7.061 1.00 1.84 H new ATOM 0 HH TYR A 90 5.320 -8.144 5.624 1.00 1.77 H new ATOM 1654 N ARG A 91 7.404 -2.751 12.982 1.00 1.31 N ATOM 1655 CA ARG A 91 8.193 -1.654 13.671 1.00 1.35 C ATOM 1656 C ARG A 91 7.795 -0.227 13.206 1.00 1.25 C ATOM 1657 O ARG A 91 6.907 0.378 13.780 1.00 1.86 O ATOM 1658 CB ARG A 91 9.673 -1.964 13.367 1.00 1.45 C ATOM 1659 CG ARG A 91 9.881 -3.485 13.310 1.00 1.88 C ATOM 1660 CD ARG A 91 11.150 -3.897 14.059 1.00 2.06 C ATOM 1661 NE ARG A 91 11.641 -5.101 13.312 1.00 2.30 N ATOM 1662 CZ ARG A 91 11.331 -6.302 13.714 1.00 2.70 C ATOM 1663 NH1 ARG A 91 10.130 -6.556 14.130 1.00 3.34 N ATOM 1664 NH2 ARG A 91 12.215 -7.251 13.682 1.00 3.08 N ATOM 0 H ARG A 91 7.184 -3.546 13.582 1.00 1.31 H new ATOM 0 HA ARG A 91 7.987 -1.648 14.741 1.00 1.35 H new ATOM 0 HB2 ARG A 91 9.962 -1.512 12.418 1.00 1.45 H new ATOM 0 HB3 ARG A 91 10.311 -1.528 14.136 1.00 1.45 H new ATOM 0 HG2 ARG A 91 9.018 -3.989 13.745 1.00 1.88 H new ATOM 0 HG3 ARG A 91 9.948 -3.807 12.271 1.00 1.88 H new ATOM 0 HD2 ARG A 91 11.891 -3.098 14.058 1.00 2.06 H new ATOM 0 HD3 ARG A 91 10.938 -4.134 15.102 1.00 2.06 H new ATOM 0 HE ARG A 91 12.222 -4.979 12.483 1.00 2.30 H new ATOM 0 HH11 ARG A 91 9.428 -5.816 14.143 1.00 3.34 H new ATOM 0 HH12 ARG A 91 9.887 -7.495 14.445 1.00 3.34 H new ATOM 0 HH21 ARG A 91 13.157 -7.059 13.341 1.00 3.08 H new ATOM 0 HH22 ARG A 91 11.968 -8.189 13.998 1.00 3.08 H new ATOM 1678 N LYS A 92 8.432 0.324 12.184 1.00 1.08 N ATOM 1679 CA LYS A 92 8.068 1.712 11.731 1.00 1.00 C ATOM 1680 C LYS A 92 7.068 1.672 10.566 1.00 0.98 C ATOM 1681 O LYS A 92 7.037 2.550 9.721 1.00 1.17 O ATOM 1682 CB LYS A 92 9.398 2.359 11.301 1.00 1.00 C ATOM 1683 CG LYS A 92 9.858 1.806 9.941 1.00 1.02 C ATOM 1684 CD LYS A 92 11.391 1.741 9.893 1.00 1.60 C ATOM 1685 CE LYS A 92 11.893 0.508 10.663 1.00 2.45 C ATOM 1686 NZ LYS A 92 12.926 -0.129 9.778 1.00 2.90 N ATOM 0 H LYS A 92 9.178 -0.125 11.653 1.00 1.08 H new ATOM 0 HA LYS A 92 7.580 2.280 12.523 1.00 1.00 H new ATOM 0 HB2 LYS A 92 9.278 3.441 11.237 1.00 1.00 H new ATOM 0 HB3 LYS A 92 10.162 2.167 12.054 1.00 1.00 H new ATOM 0 HG2 LYS A 92 9.438 0.813 9.782 1.00 1.02 H new ATOM 0 HG3 LYS A 92 9.487 2.441 9.136 1.00 1.02 H new ATOM 0 HD2 LYS A 92 11.728 1.695 8.858 1.00 1.60 H new ATOM 0 HD3 LYS A 92 11.815 2.647 10.326 1.00 1.60 H new ATOM 0 HE2 LYS A 92 12.322 0.794 11.623 1.00 2.45 H new ATOM 0 HE3 LYS A 92 11.076 -0.183 10.872 1.00 2.45 H new ATOM 0 HZ1 LYS A 92 13.723 -0.461 10.358 1.00 2.90 H new ATOM 0 HZ2 LYS A 92 12.503 -0.936 9.276 1.00 2.90 H new ATOM 0 HZ3 LYS A 92 13.268 0.568 9.086 1.00 2.90 H new ATOM 1700 N MET A 93 6.254 0.660 10.516 1.00 0.99 N ATOM 1701 CA MET A 93 5.265 0.546 9.418 1.00 1.04 C ATOM 1702 C MET A 93 3.841 0.773 9.942 1.00 0.99 C ATOM 1703 O MET A 93 3.325 -0.008 10.712 1.00 1.71 O ATOM 1704 CB MET A 93 5.432 -0.888 8.927 1.00 1.35 C ATOM 1705 CG MET A 93 4.204 -1.311 8.113 1.00 1.50 C ATOM 1706 SD MET A 93 4.601 -2.725 7.052 1.00 2.22 S ATOM 1707 CE MET A 93 5.992 -1.998 6.153 1.00 2.97 C ATOM 0 H MET A 93 6.232 -0.100 11.196 1.00 0.99 H new ATOM 0 HA MET A 93 5.421 1.285 8.632 1.00 1.04 H new ATOM 0 HB2 MET A 93 6.330 -0.969 8.314 1.00 1.35 H new ATOM 0 HB3 MET A 93 5.564 -1.559 9.776 1.00 1.35 H new ATOM 0 HG2 MET A 93 3.387 -1.572 8.786 1.00 1.50 H new ATOM 0 HG3 MET A 93 3.860 -0.476 7.502 1.00 1.50 H new ATOM 0 HE1 MET A 93 6.200 -2.592 5.263 1.00 2.97 H new ATOM 0 HE2 MET A 93 5.742 -0.978 5.859 1.00 2.97 H new ATOM 0 HE3 MET A 93 6.873 -1.985 6.795 1.00 2.97 H new ATOM 1717 N LYS A 94 3.202 1.831 9.521 1.00 0.73 N ATOM 1718 CA LYS A 94 1.796 2.099 9.970 1.00 0.79 C ATOM 1719 C LYS A 94 1.109 3.066 8.992 1.00 0.81 C ATOM 1720 O LYS A 94 0.450 4.002 9.398 1.00 1.20 O ATOM 1721 CB LYS A 94 1.916 2.708 11.378 1.00 0.86 C ATOM 1722 CG LYS A 94 1.040 1.912 12.350 1.00 1.09 C ATOM 1723 CD LYS A 94 0.623 2.784 13.539 1.00 1.53 C ATOM 1724 CE LYS A 94 -0.469 2.055 14.349 1.00 2.06 C ATOM 1725 NZ LYS A 94 -1.697 2.104 13.492 1.00 2.90 N ATOM 0 H LYS A 94 3.590 2.526 8.883 1.00 0.73 H new ATOM 0 HA LYS A 94 1.188 1.194 9.992 1.00 0.79 H new ATOM 0 HB2 LYS A 94 2.955 2.689 11.708 1.00 0.86 H new ATOM 0 HB3 LYS A 94 1.605 3.753 11.363 1.00 0.86 H new ATOM 0 HG2 LYS A 94 0.153 1.546 11.832 1.00 1.09 H new ATOM 0 HG3 LYS A 94 1.585 1.038 12.707 1.00 1.09 H new ATOM 0 HD2 LYS A 94 1.485 2.990 14.173 1.00 1.53 H new ATOM 0 HD3 LYS A 94 0.249 3.745 13.186 1.00 1.53 H new ATOM 0 HE2 LYS A 94 -0.179 1.026 14.562 1.00 2.06 H new ATOM 0 HE3 LYS A 94 -0.639 2.544 15.308 1.00 2.06 H new ATOM 0 HZ1 LYS A 94 -2.542 2.133 14.098 1.00 2.90 H new ATOM 0 HZ2 LYS A 94 -1.670 2.955 12.894 1.00 2.90 H new ATOM 0 HZ3 LYS A 94 -1.733 1.258 12.888 1.00 2.90 H new ATOM 1739 N LEU A 95 1.275 2.834 7.707 1.00 0.61 N ATOM 1740 CA LEU A 95 0.663 3.705 6.644 1.00 0.65 C ATOM 1741 C LEU A 95 0.743 5.201 6.989 1.00 0.79 C ATOM 1742 O LEU A 95 -0.045 5.977 6.537 1.00 1.50 O ATOM 1743 CB LEU A 95 -0.799 3.263 6.533 1.00 0.66 C ATOM 1744 CG LEU A 95 -0.919 1.816 6.006 1.00 0.69 C ATOM 1745 CD1 LEU A 95 -2.032 1.751 4.970 1.00 1.36 C ATOM 1746 CD2 LEU A 95 0.377 1.352 5.339 1.00 1.47 C ATOM 0 H LEU A 95 1.824 2.056 7.341 1.00 0.61 H new ATOM 0 HA LEU A 95 1.205 3.590 5.705 1.00 0.65 H new ATOM 0 HB2 LEU A 95 -1.276 3.335 7.510 1.00 0.66 H new ATOM 0 HB3 LEU A 95 -1.334 3.939 5.866 1.00 0.66 H new ATOM 0 HG LEU A 95 -1.131 1.168 6.857 1.00 0.69 H new ATOM 0 HD11 LEU A 95 -2.121 0.731 4.595 1.00 1.36 H new ATOM 0 HD12 LEU A 95 -2.974 2.052 5.428 1.00 1.36 H new ATOM 0 HD13 LEU A 95 -1.800 2.423 4.144 1.00 1.36 H new ATOM 0 HD21 LEU A 95 0.256 0.330 4.980 1.00 1.47 H new ATOM 0 HD22 LEU A 95 0.608 2.006 4.499 1.00 1.47 H new ATOM 0 HD23 LEU A 95 1.192 1.389 6.062 1.00 1.47 H new ATOM 1758 N ARG A 96 1.697 5.613 7.760 1.00 1.07 N ATOM 1759 CA ARG A 96 1.804 7.063 8.087 1.00 1.19 C ATOM 1760 C ARG A 96 3.265 7.379 8.410 1.00 1.09 C ATOM 1761 O ARG A 96 3.593 7.943 9.438 1.00 1.20 O ATOM 1762 CB ARG A 96 0.864 7.281 9.287 1.00 1.40 C ATOM 1763 CG ARG A 96 0.440 8.758 9.344 1.00 1.54 C ATOM 1764 CD ARG A 96 -0.478 9.015 10.559 1.00 1.89 C ATOM 1765 NE ARG A 96 -1.846 8.566 10.136 1.00 1.94 N ATOM 1766 CZ ARG A 96 -2.734 8.186 11.019 1.00 2.34 C ATOM 1767 NH1 ARG A 96 -3.366 9.057 11.743 1.00 2.85 N ATOM 1768 NH2 ARG A 96 -2.993 6.929 11.162 1.00 2.85 N ATOM 0 H ARG A 96 2.409 5.016 8.180 1.00 1.07 H new ATOM 0 HA ARG A 96 1.515 7.725 7.270 1.00 1.19 H new ATOM 0 HB2 ARG A 96 -0.015 6.643 9.195 1.00 1.40 H new ATOM 0 HB3 ARG A 96 1.367 7.000 10.212 1.00 1.40 H new ATOM 0 HG2 ARG A 96 1.324 9.393 9.409 1.00 1.54 H new ATOM 0 HG3 ARG A 96 -0.080 9.028 8.425 1.00 1.54 H new ATOM 0 HD2 ARG A 96 -0.136 8.460 11.432 1.00 1.89 H new ATOM 0 HD3 ARG A 96 -0.479 10.070 10.833 1.00 1.89 H new ATOM 0 HE ARG A 96 -2.087 8.557 9.145 1.00 1.94 H new ATOM 0 HH11 ARG A 96 -3.173 10.052 11.628 1.00 2.85 H new ATOM 0 HH12 ARG A 96 -4.056 8.747 12.428 1.00 2.85 H new ATOM 0 HH21 ARG A 96 -2.507 6.240 10.589 1.00 2.85 H new ATOM 0 HH22 ARG A 96 -3.684 6.625 11.848 1.00 2.85 H new ATOM 1782 N TYR A 97 4.140 6.997 7.514 1.00 0.95 N ATOM 1783 CA TYR A 97 5.598 7.239 7.698 1.00 0.89 C ATOM 1784 C TYR A 97 6.243 7.571 6.345 1.00 0.82 C ATOM 1785 O TYR A 97 5.981 6.899 5.362 1.00 0.85 O ATOM 1786 CB TYR A 97 6.163 5.915 8.224 1.00 0.93 C ATOM 1787 CG TYR A 97 7.454 6.186 8.959 1.00 0.95 C ATOM 1788 CD1 TYR A 97 7.426 6.825 10.200 1.00 1.38 C ATOM 1789 CD2 TYR A 97 8.676 5.804 8.396 1.00 1.25 C ATOM 1790 CE1 TYR A 97 8.623 7.083 10.883 1.00 1.51 C ATOM 1791 CE2 TYR A 97 9.872 6.062 9.079 1.00 1.42 C ATOM 1792 CZ TYR A 97 9.846 6.701 10.321 1.00 1.31 C ATOM 1793 OH TYR A 97 11.026 6.953 10.995 1.00 1.58 O ATOM 0 H TYR A 97 3.897 6.518 6.647 1.00 0.95 H new ATOM 0 HA TYR A 97 5.793 8.070 8.376 1.00 0.89 H new ATOM 0 HB2 TYR A 97 5.444 5.438 8.890 1.00 0.93 H new ATOM 0 HB3 TYR A 97 6.338 5.226 7.398 1.00 0.93 H new ATOM 0 HD1 TYR A 97 6.482 7.121 10.634 1.00 1.38 H new ATOM 0 HD2 TYR A 97 8.698 5.311 7.436 1.00 1.25 H new ATOM 0 HE1 TYR A 97 8.601 7.577 11.843 1.00 1.51 H new ATOM 0 HE2 TYR A 97 10.816 5.766 8.645 1.00 1.42 H new ATOM 0 HH TYR A 97 11.782 6.623 10.466 1.00 1.58 H new ATOM 1803 N PRO A 98 7.074 8.584 6.334 1.00 0.77 N ATOM 1804 CA PRO A 98 7.763 8.973 5.082 1.00 0.75 C ATOM 1805 C PRO A 98 8.938 8.016 4.806 1.00 0.71 C ATOM 1806 O PRO A 98 9.064 6.973 5.421 1.00 0.72 O ATOM 1807 CB PRO A 98 8.251 10.392 5.370 1.00 0.77 C ATOM 1808 CG PRO A 98 8.363 10.485 6.862 1.00 0.77 C ATOM 1809 CD PRO A 98 7.446 9.446 7.463 1.00 0.78 C ATOM 0 HA PRO A 98 7.126 8.927 4.199 1.00 0.75 H new ATOM 0 HB2 PRO A 98 9.212 10.580 4.892 1.00 0.77 H new ATOM 0 HB3 PRO A 98 7.552 11.133 4.982 1.00 0.77 H new ATOM 0 HG2 PRO A 98 9.392 10.314 7.179 1.00 0.77 H new ATOM 0 HG3 PRO A 98 8.086 11.482 7.204 1.00 0.77 H new ATOM 0 HD2 PRO A 98 7.949 8.879 8.246 1.00 0.78 H new ATOM 0 HD3 PRO A 98 6.568 9.906 7.916 1.00 0.78 H new ATOM 1817 N ILE A 99 9.797 8.357 3.886 1.00 0.73 N ATOM 1818 CA ILE A 99 10.956 7.464 3.577 1.00 0.74 C ATOM 1819 C ILE A 99 12.270 8.185 3.900 1.00 0.78 C ATOM 1820 O ILE A 99 12.936 8.729 3.040 1.00 0.84 O ATOM 1821 CB ILE A 99 10.812 7.128 2.089 1.00 0.80 C ATOM 1822 CG1 ILE A 99 10.728 8.421 1.238 1.00 0.86 C ATOM 1823 CG2 ILE A 99 9.543 6.281 1.911 1.00 0.82 C ATOM 1824 CD1 ILE A 99 9.266 8.823 0.981 1.00 1.43 C ATOM 0 H ILE A 99 9.749 9.213 3.334 1.00 0.73 H new ATOM 0 HA ILE A 99 10.969 6.551 4.173 1.00 0.74 H new ATOM 0 HB ILE A 99 11.685 6.571 1.749 1.00 0.80 H new ATOM 0 HG12 ILE A 99 11.246 9.231 1.751 1.00 0.86 H new ATOM 0 HG13 ILE A 99 11.238 8.268 0.287 1.00 0.86 H new ATOM 0 HG21 ILE A 99 9.419 6.029 0.858 1.00 0.82 H new ATOM 0 HG22 ILE A 99 9.632 5.365 2.495 1.00 0.82 H new ATOM 0 HG23 ILE A 99 8.677 6.847 2.253 1.00 0.82 H new ATOM 0 HD11 ILE A 99 9.239 9.733 0.382 1.00 1.43 H new ATOM 0 HD12 ILE A 99 8.757 8.021 0.446 1.00 1.43 H new ATOM 0 HD13 ILE A 99 8.765 9.000 1.933 1.00 1.43 H new ATOM 1836 N ASN A 100 12.614 8.214 5.163 1.00 0.82 N ATOM 1837 CA ASN A 100 13.854 8.928 5.615 1.00 0.88 C ATOM 1838 C ASN A 100 15.136 8.255 5.109 1.00 0.82 C ATOM 1839 O ASN A 100 15.310 7.053 5.199 1.00 0.90 O ATOM 1840 CB ASN A 100 13.803 8.890 7.143 1.00 1.05 C ATOM 1841 CG ASN A 100 12.491 9.505 7.636 1.00 1.28 C ATOM 1842 OD1 ASN A 100 11.486 8.827 7.745 1.00 1.79 O ATOM 1843 ND2 ASN A 100 12.455 10.771 7.934 1.00 1.44 N ATOM 0 H ASN A 100 12.083 7.769 5.912 1.00 0.82 H new ATOM 0 HA ASN A 100 13.880 9.943 5.218 1.00 0.88 H new ATOM 0 HB2 ASN A 100 13.886 7.861 7.493 1.00 1.05 H new ATOM 0 HB3 ASN A 100 14.650 9.437 7.558 1.00 1.05 H new ATOM 0 HD21 ASN A 100 11.585 11.194 8.258 1.00 1.44 H new ATOM 0 HD22 ASN A 100 13.296 11.340 7.843 1.00 1.44 H new ATOM 1850 N GLU A 101 16.030 9.046 4.576 1.00 0.91 N ATOM 1851 CA GLU A 101 17.324 8.511 4.037 1.00 1.02 C ATOM 1852 C GLU A 101 18.358 8.268 5.132 1.00 1.21 C ATOM 1853 O GLU A 101 18.773 9.184 5.806 1.00 1.57 O ATOM 1854 CB GLU A 101 17.854 9.612 3.127 1.00 1.39 C ATOM 1855 CG GLU A 101 17.620 9.246 1.651 1.00 2.14 C ATOM 1856 CD GLU A 101 18.639 8.182 1.194 1.00 2.95 C ATOM 1857 OE1 GLU A 101 19.758 8.200 1.685 1.00 3.57 O ATOM 1858 OE2 GLU A 101 18.275 7.368 0.354 1.00 3.50 O ATOM 0 H GLU A 101 15.920 10.056 4.488 1.00 0.91 H new ATOM 0 HA GLU A 101 17.155 7.556 3.539 1.00 1.02 H new ATOM 0 HB2 GLU A 101 17.357 10.554 3.358 1.00 1.39 H new ATOM 0 HB3 GLU A 101 18.919 9.761 3.307 1.00 1.39 H new ATOM 0 HG2 GLU A 101 16.606 8.868 1.520 1.00 2.14 H new ATOM 0 HG3 GLU A 101 17.711 10.137 1.030 1.00 2.14 H new ATOM 1865 N GLU A 102 18.811 7.048 5.261 1.00 1.34 N ATOM 1866 CA GLU A 102 19.876 6.712 6.263 1.00 1.78 C ATOM 1867 C GLU A 102 20.917 7.854 6.322 1.00 1.91 C ATOM 1868 O GLU A 102 21.256 8.353 7.375 1.00 2.36 O ATOM 1869 CB GLU A 102 20.530 5.453 5.670 1.00 2.20 C ATOM 1870 CG GLU A 102 19.978 4.162 6.315 1.00 2.31 C ATOM 1871 CD GLU A 102 18.441 4.095 6.257 1.00 2.43 C ATOM 1872 OE1 GLU A 102 17.866 4.582 5.296 1.00 2.84 O ATOM 1873 OE2 GLU A 102 17.868 3.541 7.178 1.00 2.76 O ATOM 0 H GLU A 102 18.485 6.256 4.707 1.00 1.34 H new ATOM 0 HA GLU A 102 19.490 6.569 7.272 1.00 1.78 H new ATOM 0 HB2 GLU A 102 20.356 5.425 4.594 1.00 2.20 H new ATOM 0 HB3 GLU A 102 21.609 5.500 5.817 1.00 2.20 H new ATOM 0 HG2 GLU A 102 20.397 3.295 5.805 1.00 2.31 H new ATOM 0 HG3 GLU A 102 20.303 4.109 7.354 1.00 2.31 H new ATOM 1880 N ASN A 103 21.407 8.262 5.165 1.00 1.98 N ATOM 1881 CA ASN A 103 22.427 9.370 5.079 1.00 2.69 C ATOM 1882 C ASN A 103 21.867 10.700 5.628 1.00 3.25 C ATOM 1883 O ASN A 103 22.543 11.418 6.344 1.00 3.88 O ATOM 1884 CB ASN A 103 22.721 9.492 3.565 1.00 3.12 C ATOM 1885 CG ASN A 103 24.120 10.073 3.306 1.00 3.82 C ATOM 1886 OD1 ASN A 103 25.097 9.355 3.333 1.00 4.04 O ATOM 1887 ND2 ASN A 103 24.268 11.342 3.032 1.00 4.57 N ATOM 0 H ASN A 103 21.139 7.867 4.264 1.00 1.98 H new ATOM 0 HA ASN A 103 23.316 9.155 5.672 1.00 2.69 H new ATOM 0 HB2 ASN A 103 22.642 8.510 3.098 1.00 3.12 H new ATOM 0 HB3 ASN A 103 21.970 10.129 3.098 1.00 3.12 H new ATOM 0 HD21 ASN A 103 25.197 11.718 2.844 1.00 4.57 H new ATOM 0 HD22 ASN A 103 23.454 11.956 3.006 1.00 4.57 H new ATOM 1894 N SER A 104 20.650 11.049 5.273 1.00 3.19 N ATOM 1895 CA SER A 104 20.052 12.349 5.742 1.00 4.02 C ATOM 1896 C SER A 104 19.281 12.222 7.077 1.00 4.59 C ATOM 1897 O SER A 104 19.381 13.082 7.933 1.00 5.30 O ATOM 1898 CB SER A 104 19.096 12.769 4.624 1.00 4.33 C ATOM 1899 OG SER A 104 19.636 13.890 3.933 1.00 4.62 O ATOM 0 H SER A 104 20.041 10.489 4.676 1.00 3.19 H new ATOM 0 HA SER A 104 20.840 13.077 5.936 1.00 4.02 H new ATOM 0 HB2 SER A 104 18.943 11.941 3.932 1.00 4.33 H new ATOM 0 HB3 SER A 104 18.121 13.021 5.041 1.00 4.33 H new ATOM 0 HG SER A 104 19.024 14.158 3.216 1.00 4.62 H new ATOM 1905 N SER A 105 18.498 11.188 7.270 1.00 4.63 N ATOM 1906 CA SER A 105 17.729 11.054 8.559 1.00 5.48 C ATOM 1907 C SER A 105 17.341 9.589 8.819 1.00 5.86 C ATOM 1908 O SER A 105 17.486 9.158 9.949 1.00 6.12 O ATOM 1909 CB SER A 105 16.471 11.933 8.404 1.00 5.91 C ATOM 1910 OG SER A 105 16.102 12.035 7.028 1.00 6.36 O ATOM 1911 OXT SER A 105 16.907 8.922 7.896 1.00 6.15 O ATOM 0 H SER A 105 18.355 10.433 6.599 1.00 4.63 H new ATOM 0 HA SER A 105 18.332 11.372 9.410 1.00 5.48 H new ATOM 0 HB2 SER A 105 15.648 11.506 8.977 1.00 5.91 H new ATOM 0 HB3 SER A 105 16.661 12.926 8.811 1.00 5.91 H new ATOM 0 HG SER A 105 15.301 12.594 6.945 1.00 6.36 H new TER 1917 SER A 105