USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 GLN : amide:sc= 1.44 K(o=2.5,f=-5.5!) USER MOD Set 1.2: A 54 THR OG1 : rot -55:sc= 1.11 USER MOD Set 2.1: A 13 ASN : amide:sc= 1.07 K(o=2.3,f=1.3) USER MOD Set 2.2: A 17 SER OG : rot -92:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.132 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00271 X(o=-0.0027,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= -1.27! (180deg=-1.62!) USER MOD Single : A 19 MET CE :methyl 160:sc= -0.141 (180deg=-0.607) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0386 (180deg=-0.354) USER MOD Single : A 24 ASN : amide:sc= 0.132 K(o=0.13,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0322) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00261 USER MOD Single : A 36 GLN : amide:sc= -0.697 K(o=-0.7,f=-7.1!) USER MOD Single : A 40 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= -0.0314 (180deg=-0.221) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.19) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00398 USER MOD Single : A 48 CYS SG : rot 180:sc= -5.11! USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 0.831 (180deg=0.281) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -167:sc= -0.0493 (180deg=-0.333) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.152 F(o=-2.4!,f=-0.15) USER MOD Single : A 57 CYS SG : rot -79:sc= 1.32 USER MOD Single : A 58 THR OG1 : rot -26:sc= 0.835 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 69:sc= 0.00617 USER MOD Single : A 67 HIS : no HD1:sc= 0.478 K(o=0.48,f=-4!) USER MOD Single : A 71 LYS NZ :NH3+ -139:sc= 1.04 (180deg=-0.42!) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.227 F(o=-1.3,f=-0.23) USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.692) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.746 K(o=0.75,f=-5.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc=-0.00954 (180deg=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 44.350 -0.247 -3.858 1.00 19.14 N ATOM 2 CA GLY A 1 43.769 1.081 -3.746 1.00 18.53 C ATOM 3 C GLY A 1 42.516 1.201 -4.567 1.00 18.04 C ATOM 4 O GLY A 1 41.974 0.179 -5.013 1.00 17.99 O ATOM 0 H1 GLY A 1 44.500 -0.642 -2.908 1.00 19.14 H new ATOM 0 H2 GLY A 1 43.705 -0.864 -4.391 1.00 19.14 H new ATOM 0 H3 GLY A 1 45.261 -0.186 -4.355 1.00 19.14 H new ATOM 0 HA2 GLY A 1 43.543 1.294 -2.701 1.00 18.53 H new ATOM 0 HA3 GLY A 1 44.494 1.826 -4.074 1.00 18.53 H new ATOM 10 N HIS A 2 42.059 2.453 -4.778 1.00 17.81 N ATOM 11 CA HIS A 2 40.840 2.771 -5.526 1.00 17.49 C ATOM 12 C HIS A 2 39.588 2.427 -4.743 1.00 16.98 C ATOM 13 O HIS A 2 39.423 1.303 -4.275 1.00 17.17 O ATOM 14 CB HIS A 2 40.822 2.150 -6.940 1.00 17.97 C ATOM 15 CG HIS A 2 41.863 2.701 -7.863 1.00 18.64 C ATOM 16 ND1 HIS A 2 42.885 1.951 -8.395 1.00 19.07 N ATOM 17 CD2 HIS A 2 42.009 3.942 -8.382 1.00 19.08 C ATOM 18 CE1 HIS A 2 43.604 2.702 -9.202 1.00 19.72 C ATOM 19 NE2 HIS A 2 43.091 3.911 -9.206 1.00 19.74 N ATOM 0 H HIS A 2 42.540 3.280 -4.425 1.00 17.81 H new ATOM 0 HA HIS A 2 40.847 3.852 -5.668 1.00 17.49 H new ATOM 0 HB2 HIS A 2 40.962 1.072 -6.854 1.00 17.97 H new ATOM 0 HB3 HIS A 2 39.839 2.309 -7.382 1.00 17.97 H new ATOM 0 HD2 HIS A 2 41.383 4.798 -8.180 1.00 19.08 H new ATOM 0 HE1 HIS A 2 44.468 2.379 -9.764 1.00 19.72 H new ATOM 0 HE2 HIS A 2 43.448 4.702 -9.742 1.00 19.74 H new ATOM 28 N HIS A 3 38.691 3.420 -4.624 1.00 16.46 N ATOM 29 CA HIS A 3 37.431 3.310 -3.850 1.00 16.07 C ATOM 30 C HIS A 3 37.727 3.378 -2.341 1.00 15.28 C ATOM 31 O HIS A 3 38.821 3.758 -1.946 1.00 15.31 O ATOM 32 CB HIS A 3 36.603 2.047 -4.210 1.00 16.31 C ATOM 33 CG HIS A 3 36.195 1.955 -5.654 1.00 16.79 C ATOM 34 ND1 HIS A 3 35.115 2.630 -6.189 1.00 17.14 N ATOM 35 CD2 HIS A 3 36.728 1.256 -6.680 1.00 17.13 C ATOM 36 CE1 HIS A 3 35.011 2.347 -7.471 1.00 17.67 C ATOM 37 NE2 HIS A 3 35.970 1.522 -7.793 1.00 17.67 N ATOM 0 H HIS A 3 38.816 4.332 -5.064 1.00 16.46 H new ATOM 0 HA HIS A 3 36.808 4.161 -4.127 1.00 16.07 H new ATOM 0 HB2 HIS A 3 37.185 1.162 -3.954 1.00 16.31 H new ATOM 0 HB3 HIS A 3 35.706 2.028 -3.591 1.00 16.31 H new ATOM 0 HD2 HIS A 3 37.591 0.608 -6.633 1.00 17.13 H new ATOM 0 HE1 HIS A 3 34.259 2.733 -8.143 1.00 17.67 H new ATOM 0 HE2 HIS A 3 36.131 1.136 -8.724 1.00 17.67 H new ATOM 46 N HIS A 4 36.752 3.054 -1.509 1.00 14.74 N ATOM 47 CA HIS A 4 36.938 3.170 -0.066 1.00 14.10 C ATOM 48 C HIS A 4 37.408 1.861 0.534 1.00 13.70 C ATOM 49 O HIS A 4 37.347 0.830 -0.114 1.00 14.01 O ATOM 50 CB HIS A 4 35.667 3.655 0.645 1.00 13.88 C ATOM 51 CG HIS A 4 35.211 5.029 0.202 1.00 13.85 C ATOM 52 ND1 HIS A 4 33.899 5.437 0.233 1.00 14.10 N ATOM 53 CD2 HIS A 4 35.913 6.087 -0.273 1.00 13.80 C ATOM 54 CE1 HIS A 4 33.816 6.675 -0.215 1.00 14.18 C ATOM 55 NE2 HIS A 4 35.020 7.084 -0.526 1.00 14.00 N ATOM 0 H HIS A 4 35.835 2.713 -1.798 1.00 14.74 H new ATOM 0 HA HIS A 4 37.711 3.922 0.089 1.00 14.10 H new ATOM 0 HB2 HIS A 4 34.865 2.940 0.465 1.00 13.88 H new ATOM 0 HB3 HIS A 4 35.845 3.670 1.720 1.00 13.88 H new ATOM 0 HD2 HIS A 4 36.982 6.131 -0.423 1.00 13.80 H new ATOM 0 HE1 HIS A 4 32.909 7.253 -0.309 1.00 14.18 H new ATOM 0 HE2 HIS A 4 35.253 8.004 -0.899 1.00 14.00 H new ATOM 64 N HIS A 5 37.866 1.916 1.780 1.00 13.18 N ATOM 65 CA HIS A 5 38.404 0.725 2.464 1.00 12.93 C ATOM 66 C HIS A 5 37.312 -0.259 2.874 1.00 12.32 C ATOM 67 O HIS A 5 37.552 -1.457 2.956 1.00 12.40 O ATOM 68 CB HIS A 5 39.241 1.099 3.700 1.00 13.06 C ATOM 69 CG HIS A 5 40.504 1.840 3.406 1.00 13.43 C ATOM 70 ND1 HIS A 5 41.710 1.230 3.188 1.00 13.64 N ATOM 71 CD2 HIS A 5 40.743 3.163 3.307 1.00 13.81 C ATOM 72 CE1 HIS A 5 42.627 2.136 2.973 1.00 14.12 C ATOM 73 NE2 HIS A 5 42.072 3.317 3.035 1.00 14.24 N ATOM 0 H HIS A 5 37.879 2.766 2.344 1.00 13.18 H new ATOM 0 HA HIS A 5 39.049 0.237 1.733 1.00 12.93 H new ATOM 0 HB2 HIS A 5 38.628 1.706 4.365 1.00 13.06 H new ATOM 0 HB3 HIS A 5 39.490 0.186 4.241 1.00 13.06 H new ATOM 0 HD2 HIS A 5 40.017 3.955 3.422 1.00 13.81 H new ATOM 0 HE1 HIS A 5 43.671 1.941 2.777 1.00 14.12 H new ATOM 0 HE2 HIS A 5 42.552 4.207 2.902 1.00 14.24 H new ATOM 82 N HIS A 6 36.119 0.233 3.130 1.00 11.88 N ATOM 83 CA HIS A 6 35.049 -0.639 3.572 1.00 11.42 C ATOM 84 C HIS A 6 33.847 -0.545 2.650 1.00 10.42 C ATOM 85 O HIS A 6 33.404 0.553 2.307 1.00 10.22 O ATOM 86 CB HIS A 6 34.649 -0.361 5.035 1.00 11.97 C ATOM 87 CG HIS A 6 35.753 -0.606 6.047 1.00 12.55 C ATOM 88 ND1 HIS A 6 36.345 0.399 6.795 1.00 12.82 N ATOM 89 CD2 HIS A 6 36.347 -1.757 6.451 1.00 13.11 C ATOM 90 CE1 HIS A 6 37.248 -0.133 7.605 1.00 13.49 C ATOM 91 NE2 HIS A 6 37.267 -1.429 7.414 1.00 13.67 N ATOM 0 H HIS A 6 35.866 1.217 3.042 1.00 11.88 H new ATOM 0 HA HIS A 6 35.428 -1.660 3.528 1.00 11.42 H new ATOM 0 HB2 HIS A 6 34.321 0.675 5.118 1.00 11.97 H new ATOM 0 HB3 HIS A 6 33.794 -0.987 5.290 1.00 11.97 H new ATOM 0 HD2 HIS A 6 36.134 -2.749 6.082 1.00 13.11 H new ATOM 0 HE1 HIS A 6 37.865 0.410 8.305 1.00 13.49 H new ATOM 0 HE2 HIS A 6 37.870 -2.090 7.904 1.00 13.67 H new ATOM 100 N HIS A 7 33.344 -1.689 2.234 1.00 9.98 N ATOM 101 CA HIS A 7 32.192 -1.760 1.359 1.00 9.18 C ATOM 102 C HIS A 7 31.217 -2.819 1.867 1.00 9.04 C ATOM 103 O HIS A 7 31.578 -3.981 1.993 1.00 9.71 O ATOM 104 CB HIS A 7 32.650 -2.049 -0.096 1.00 9.12 C ATOM 105 CG HIS A 7 31.532 -2.206 -1.115 1.00 9.44 C ATOM 106 ND1 HIS A 7 31.002 -1.149 -1.853 1.00 9.56 N ATOM 107 CD2 HIS A 7 30.863 -3.312 -1.529 1.00 9.92 C ATOM 108 CE1 HIS A 7 30.073 -1.608 -2.664 1.00 10.08 C ATOM 109 NE2 HIS A 7 29.967 -2.912 -2.490 1.00 10.30 N ATOM 0 H HIS A 7 33.724 -2.599 2.494 1.00 9.98 H new ATOM 0 HA HIS A 7 31.671 -0.802 1.359 1.00 9.18 H new ATOM 0 HB2 HIS A 7 33.303 -1.239 -0.421 1.00 9.12 H new ATOM 0 HB3 HIS A 7 33.249 -2.960 -0.096 1.00 9.12 H new ATOM 0 HD2 HIS A 7 31.008 -4.320 -1.169 1.00 9.92 H new ATOM 0 HE1 HIS A 7 29.494 -1.016 -3.357 1.00 10.08 H new ATOM 0 HE2 HIS A 7 29.323 -3.525 -2.989 1.00 10.30 H new ATOM 118 N LEU A 8 29.997 -2.373 2.178 1.00 8.37 N ATOM 119 CA LEU A 8 28.864 -3.209 2.670 1.00 8.37 C ATOM 120 C LEU A 8 29.110 -3.759 4.086 1.00 8.86 C ATOM 121 O LEU A 8 28.427 -3.372 5.024 1.00 9.23 O ATOM 122 CB LEU A 8 28.477 -4.319 1.628 1.00 9.01 C ATOM 123 CG LEU A 8 27.175 -5.155 1.863 1.00 9.38 C ATOM 124 CD1 LEU A 8 26.860 -5.963 0.616 1.00 9.11 C ATOM 125 CD2 LEU A 8 27.308 -6.109 3.045 1.00 10.10 C ATOM 0 H LEU A 8 29.747 -1.387 2.096 1.00 8.37 H new ATOM 0 HA LEU A 8 27.994 -2.559 2.764 1.00 8.37 H new ATOM 0 HB2 LEU A 8 28.390 -3.840 0.653 1.00 9.01 H new ATOM 0 HB3 LEU A 8 29.311 -5.018 1.566 1.00 9.01 H new ATOM 0 HG LEU A 8 26.372 -4.452 2.084 1.00 9.38 H new ATOM 0 HD11 LEU A 8 25.953 -6.545 0.779 1.00 9.11 H new ATOM 0 HD12 LEU A 8 26.711 -5.288 -0.227 1.00 9.11 H new ATOM 0 HD13 LEU A 8 27.690 -6.636 0.399 1.00 9.11 H new ATOM 0 HD21 LEU A 8 26.380 -6.667 3.168 1.00 10.10 H new ATOM 0 HD22 LEU A 8 28.127 -6.804 2.861 1.00 10.10 H new ATOM 0 HD23 LEU A 8 27.512 -5.539 3.951 1.00 10.10 H new ATOM 137 N GLU A 9 30.117 -4.613 4.239 1.00 9.12 N ATOM 138 CA GLU A 9 30.416 -5.279 5.533 1.00 9.86 C ATOM 139 C GLU A 9 31.101 -4.316 6.546 1.00 9.89 C ATOM 140 O GLU A 9 31.717 -4.749 7.529 1.00 10.56 O ATOM 141 CB GLU A 9 31.283 -6.534 5.285 1.00 10.56 C ATOM 142 CG GLU A 9 32.621 -6.261 4.600 1.00 11.13 C ATOM 143 CD GLU A 9 33.401 -7.527 4.320 1.00 11.53 C ATOM 144 OE1 GLU A 9 33.195 -8.126 3.256 1.00 11.70 O ATOM 145 OE2 GLU A 9 34.242 -7.924 5.158 1.00 11.87 O ATOM 0 H GLU A 9 30.753 -4.871 3.485 1.00 9.12 H new ATOM 0 HA GLU A 9 29.470 -5.580 5.983 1.00 9.86 H new ATOM 0 HB2 GLU A 9 31.473 -7.022 6.241 1.00 10.56 H new ATOM 0 HB3 GLU A 9 30.715 -7.237 4.675 1.00 10.56 H new ATOM 0 HG2 GLU A 9 32.444 -5.733 3.663 1.00 11.13 H new ATOM 0 HG3 GLU A 9 33.219 -5.602 5.229 1.00 11.13 H new ATOM 152 N GLY A 10 30.926 -3.034 6.326 1.00 9.36 N ATOM 153 CA GLY A 10 31.522 -2.047 7.162 1.00 9.60 C ATOM 154 C GLY A 10 30.499 -1.177 7.854 1.00 8.87 C ATOM 155 O GLY A 10 30.658 -0.852 9.029 1.00 9.04 O ATOM 0 H GLY A 10 30.366 -2.658 5.561 1.00 9.36 H new ATOM 0 HA2 GLY A 10 32.143 -2.538 7.912 1.00 9.60 H new ATOM 0 HA3 GLY A 10 32.182 -1.419 6.563 1.00 9.60 H new ATOM 159 N GLY A 11 29.452 -0.802 7.139 1.00 8.30 N ATOM 160 CA GLY A 11 28.459 0.088 7.704 1.00 7.80 C ATOM 161 C GLY A 11 28.939 1.514 7.696 1.00 8.13 C ATOM 162 O GLY A 11 29.433 1.990 6.674 1.00 8.45 O ATOM 0 H GLY A 11 29.271 -1.096 6.179 1.00 8.30 H new ATOM 0 HA2 GLY A 11 27.532 0.010 7.136 1.00 7.80 H new ATOM 0 HA3 GLY A 11 28.233 -0.217 8.726 1.00 7.80 H new ATOM 166 N GLY A 12 28.808 2.190 8.826 1.00 8.34 N ATOM 167 CA GLY A 12 29.296 3.549 8.934 1.00 8.95 C ATOM 168 C GLY A 12 28.402 4.578 8.260 1.00 8.79 C ATOM 169 O GLY A 12 28.823 5.255 7.327 1.00 9.24 O ATOM 0 H GLY A 12 28.372 1.822 9.672 1.00 8.34 H new ATOM 0 HA2 GLY A 12 29.398 3.806 9.988 1.00 8.95 H new ATOM 0 HA3 GLY A 12 30.292 3.603 8.495 1.00 8.95 H new ATOM 173 N ASN A 13 27.182 4.702 8.739 1.00 8.39 N ATOM 174 CA ASN A 13 26.277 5.712 8.235 1.00 8.53 C ATOM 175 C ASN A 13 26.628 7.052 8.887 1.00 9.29 C ATOM 176 O ASN A 13 26.326 7.260 10.064 1.00 9.68 O ATOM 177 CB ASN A 13 24.822 5.343 8.581 1.00 8.84 C ATOM 178 CG ASN A 13 23.813 6.387 8.102 1.00 9.25 C ATOM 179 OD1 ASN A 13 24.001 7.046 7.066 1.00 9.50 O ATOM 180 ND2 ASN A 13 22.741 6.557 8.856 1.00 9.58 N ATOM 0 H ASN A 13 26.794 4.115 9.478 1.00 8.39 H new ATOM 0 HA ASN A 13 26.374 5.780 7.151 1.00 8.53 H new ATOM 0 HB2 ASN A 13 24.581 4.379 8.133 1.00 8.84 H new ATOM 0 HB3 ASN A 13 24.730 5.224 9.661 1.00 8.84 H new ATOM 0 HD21 ASN A 13 22.037 7.246 8.593 1.00 9.58 H new ATOM 0 HD22 ASN A 13 22.618 5.999 9.701 1.00 9.58 H new ATOM 187 N ALA A 14 27.304 7.923 8.165 1.00 9.70 N ATOM 188 CA ALA A 14 27.670 9.217 8.703 1.00 10.58 C ATOM 189 C ALA A 14 27.537 10.281 7.639 1.00 11.08 C ATOM 190 O ALA A 14 28.461 10.511 6.845 1.00 11.12 O ATOM 191 CB ALA A 14 29.083 9.207 9.298 1.00 10.70 C ATOM 0 H ALA A 14 27.610 7.758 7.206 1.00 9.70 H new ATOM 0 HA ALA A 14 26.983 9.448 9.517 1.00 10.58 H new ATOM 0 HB1 ALA A 14 29.319 10.196 9.691 1.00 10.70 H new ATOM 0 HB2 ALA A 14 29.133 8.475 10.104 1.00 10.70 H new ATOM 0 HB3 ALA A 14 29.802 8.943 8.523 1.00 10.70 H new ATOM 197 N GLN A 15 26.351 10.891 7.590 1.00 11.67 N ATOM 198 CA GLN A 15 25.986 11.929 6.600 1.00 12.40 C ATOM 199 C GLN A 15 25.980 11.345 5.173 1.00 12.25 C ATOM 200 O GLN A 15 26.457 10.223 4.942 1.00 12.05 O ATOM 201 CB GLN A 15 26.920 13.149 6.674 1.00 13.27 C ATOM 202 CG GLN A 15 26.959 13.854 8.026 1.00 13.75 C ATOM 203 CD GLN A 15 27.891 15.047 8.024 1.00 14.68 C ATOM 204 OE1 GLN A 15 29.076 14.928 8.297 1.00 15.07 O ATOM 205 NE2 GLN A 15 27.359 16.210 7.729 1.00 15.18 N ATOM 0 H GLN A 15 25.598 10.680 8.245 1.00 11.67 H new ATOM 0 HA GLN A 15 24.980 12.269 6.847 1.00 12.40 H new ATOM 0 HB2 GLN A 15 27.930 12.829 6.419 1.00 13.27 H new ATOM 0 HB3 GLN A 15 26.613 13.869 5.915 1.00 13.27 H new ATOM 0 HG2 GLN A 15 25.954 14.181 8.292 1.00 13.75 H new ATOM 0 HG3 GLN A 15 27.278 13.148 8.793 1.00 13.75 H new ATOM 0 HE21 GLN A 15 26.366 16.275 7.506 1.00 15.18 H new ATOM 0 HE22 GLN A 15 27.939 17.049 7.723 1.00 15.18 H new ATOM 214 N LYS A 16 25.456 12.107 4.208 1.00 12.53 N ATOM 215 CA LYS A 16 25.336 11.639 2.803 1.00 12.66 C ATOM 216 C LYS A 16 24.441 10.387 2.747 1.00 11.86 C ATOM 217 O LYS A 16 24.464 9.612 1.773 1.00 12.01 O ATOM 218 CB LYS A 16 26.723 11.354 2.135 1.00 12.80 C ATOM 219 CG LYS A 16 27.630 12.593 1.899 1.00 13.55 C ATOM 220 CD LYS A 16 28.226 13.218 3.185 1.00 14.34 C ATOM 221 CE LYS A 16 29.443 12.447 3.764 1.00 15.06 C ATOM 222 NZ LYS A 16 29.146 11.063 4.235 1.00 15.42 N ATOM 0 H LYS A 16 25.105 13.052 4.363 1.00 12.53 H new ATOM 0 HA LYS A 16 24.879 12.446 2.230 1.00 12.66 H new ATOM 0 HB2 LYS A 16 27.266 10.644 2.759 1.00 12.80 H new ATOM 0 HB3 LYS A 16 26.549 10.867 1.175 1.00 12.80 H new ATOM 0 HG2 LYS A 16 28.448 12.306 1.239 1.00 13.55 H new ATOM 0 HG3 LYS A 16 27.051 13.355 1.377 1.00 13.55 H new ATOM 0 HD2 LYS A 16 28.528 14.243 2.971 1.00 14.34 H new ATOM 0 HD3 LYS A 16 27.447 13.268 3.946 1.00 14.34 H new ATOM 0 HE2 LYS A 16 30.219 12.396 3.000 1.00 15.06 H new ATOM 0 HE3 LYS A 16 29.853 13.018 4.597 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 29.523 10.935 5.196 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 28.117 10.913 4.244 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 29.590 10.375 3.594 1.00 15.42 H new ATOM 236 N SER A 17 23.586 10.269 3.760 1.00 11.21 N ATOM 237 CA SER A 17 22.707 9.133 3.967 1.00 10.50 C ATOM 238 C SER A 17 21.650 8.984 2.862 1.00 10.66 C ATOM 239 O SER A 17 20.864 8.029 2.864 1.00 10.17 O ATOM 240 CB SER A 17 22.040 9.277 5.323 1.00 10.42 C ATOM 241 OG SER A 17 23.025 9.493 6.331 1.00 10.72 O ATOM 0 H SER A 17 23.487 10.986 4.479 1.00 11.21 H new ATOM 0 HA SER A 17 23.312 8.227 3.931 1.00 10.50 H new ATOM 0 HB2 SER A 17 21.337 10.110 5.305 1.00 10.42 H new ATOM 0 HB3 SER A 17 21.465 8.380 5.552 1.00 10.42 H new ATOM 0 HG SER A 17 23.290 8.633 6.719 1.00 10.72 H new ATOM 247 N ALA A 18 21.635 9.930 1.928 1.00 11.52 N ATOM 248 CA ALA A 18 20.763 9.876 0.785 1.00 11.99 C ATOM 249 C ALA A 18 21.155 8.689 -0.098 1.00 11.45 C ATOM 250 O ALA A 18 20.314 8.036 -0.686 1.00 11.42 O ATOM 251 CB ALA A 18 20.846 11.181 -0.002 1.00 13.14 C ATOM 0 H ALA A 18 22.234 10.755 1.953 1.00 11.52 H new ATOM 0 HA ALA A 18 19.734 9.745 1.120 1.00 11.99 H new ATOM 0 HB1 ALA A 18 20.182 11.128 -0.865 1.00 13.14 H new ATOM 0 HB2 ALA A 18 20.546 12.011 0.637 1.00 13.14 H new ATOM 0 HB3 ALA A 18 21.870 11.337 -0.341 1.00 13.14 H new ATOM 257 N MET A 19 22.458 8.417 -0.165 1.00 11.20 N ATOM 258 CA MET A 19 22.950 7.288 -0.941 1.00 10.90 C ATOM 259 C MET A 19 23.840 6.353 -0.118 1.00 9.99 C ATOM 260 O MET A 19 24.022 5.203 -0.479 1.00 9.63 O ATOM 261 CB MET A 19 23.672 7.734 -2.225 1.00 11.94 C ATOM 262 CG MET A 19 22.766 8.397 -3.265 1.00 12.49 C ATOM 263 SD MET A 19 23.658 8.875 -4.766 1.00 13.40 S ATOM 264 CE MET A 19 24.256 7.294 -5.352 1.00 14.08 C ATOM 0 H MET A 19 23.183 8.959 0.305 1.00 11.20 H new ATOM 0 HA MET A 19 22.065 6.723 -1.235 1.00 10.90 H new ATOM 0 HB2 MET A 19 24.466 8.431 -1.957 1.00 11.94 H new ATOM 0 HB3 MET A 19 24.150 6.865 -2.679 1.00 11.94 H new ATOM 0 HG2 MET A 19 21.961 7.712 -3.529 1.00 12.49 H new ATOM 0 HG3 MET A 19 22.302 9.280 -2.826 1.00 12.49 H new ATOM 0 HE1 MET A 19 24.503 7.368 -6.411 1.00 14.08 H new ATOM 0 HE2 MET A 19 25.147 7.011 -4.791 1.00 14.08 H new ATOM 0 HE3 MET A 19 23.483 6.538 -5.211 1.00 14.08 H new ATOM 274 N ALA A 20 24.364 6.840 0.997 1.00 9.77 N ATOM 275 CA ALA A 20 25.265 6.033 1.854 1.00 9.13 C ATOM 276 C ALA A 20 24.521 4.908 2.593 1.00 8.17 C ATOM 277 O ALA A 20 25.137 4.060 3.235 1.00 7.84 O ATOM 278 CB ALA A 20 26.014 6.913 2.840 1.00 9.45 C ATOM 0 H ALA A 20 24.191 7.784 1.341 1.00 9.77 H new ATOM 0 HA ALA A 20 25.987 5.560 1.189 1.00 9.13 H new ATOM 0 HB1 ALA A 20 26.667 6.295 3.456 1.00 9.45 H new ATOM 0 HB2 ALA A 20 26.613 7.643 2.295 1.00 9.45 H new ATOM 0 HB3 ALA A 20 25.300 7.434 3.478 1.00 9.45 H new ATOM 284 N ARG A 21 23.200 4.907 2.506 1.00 7.98 N ATOM 285 CA ARG A 21 22.412 3.837 3.109 1.00 7.29 C ATOM 286 C ARG A 21 22.003 2.834 2.042 1.00 7.26 C ATOM 287 O ARG A 21 21.647 1.692 2.338 1.00 7.10 O ATOM 288 CB ARG A 21 21.176 4.380 3.831 1.00 7.43 C ATOM 289 CG ARG A 21 21.490 5.263 5.029 1.00 8.11 C ATOM 290 CD ARG A 21 20.221 5.748 5.714 1.00 8.51 C ATOM 291 NE ARG A 21 19.403 6.604 4.840 1.00 8.99 N ATOM 292 CZ ARG A 21 18.112 6.896 5.049 1.00 9.65 C ATOM 293 NH1 ARG A 21 17.445 6.317 6.044 1.00 9.90 N ATOM 294 NH2 ARG A 21 17.472 7.715 4.220 1.00 10.29 N ATOM 0 H ARG A 21 22.654 5.625 2.030 1.00 7.98 H new ATOM 0 HA ARG A 21 23.033 3.341 3.854 1.00 7.29 H new ATOM 0 HB2 ARG A 21 20.576 4.950 3.121 1.00 7.43 H new ATOM 0 HB3 ARG A 21 20.565 3.540 4.163 1.00 7.43 H new ATOM 0 HG2 ARG A 21 22.099 4.707 5.742 1.00 8.11 H new ATOM 0 HG3 ARG A 21 22.080 6.120 4.705 1.00 8.11 H new ATOM 0 HD2 ARG A 21 19.631 4.888 6.031 1.00 8.51 H new ATOM 0 HD3 ARG A 21 20.487 6.302 6.615 1.00 8.51 H new ATOM 0 HE ARG A 21 19.851 7.004 4.016 1.00 8.99 H new ATOM 0 HH11 ARG A 21 17.916 5.647 6.652 1.00 9.90 H new ATOM 0 HH12 ARG A 21 16.462 6.543 6.199 1.00 9.90 H new ATOM 0 HH21 ARG A 21 17.964 8.122 3.424 1.00 10.29 H new ATOM 0 HH22 ARG A 21 16.489 7.937 4.380 1.00 10.29 H new ATOM 308 N ALA A 22 22.084 3.255 0.799 1.00 7.72 N ATOM 309 CA ALA A 22 21.690 2.419 -0.298 1.00 8.05 C ATOM 310 C ALA A 22 22.766 1.399 -0.563 1.00 7.56 C ATOM 311 O ALA A 22 23.939 1.728 -0.572 1.00 7.73 O ATOM 312 CB ALA A 22 21.409 3.258 -1.530 1.00 9.15 C ATOM 0 H ALA A 22 22.422 4.178 0.528 1.00 7.72 H new ATOM 0 HA ALA A 22 20.770 1.894 -0.042 1.00 8.05 H new ATOM 0 HB1 ALA A 22 21.111 2.608 -2.353 1.00 9.15 H new ATOM 0 HB2 ALA A 22 20.605 3.962 -1.315 1.00 9.15 H new ATOM 0 HB3 ALA A 22 22.308 3.808 -1.809 1.00 9.15 H new ATOM 318 N LYS A 23 22.348 0.157 -0.720 1.00 7.27 N ATOM 319 CA LYS A 23 23.195 -1.001 -0.958 1.00 7.12 C ATOM 320 C LYS A 23 24.012 -1.397 0.303 1.00 6.46 C ATOM 321 O LYS A 23 24.152 -2.588 0.603 1.00 6.78 O ATOM 322 CB LYS A 23 24.107 -0.783 -2.169 1.00 8.04 C ATOM 323 CG LYS A 23 24.591 -2.066 -2.800 1.00 8.77 C ATOM 324 CD LYS A 23 25.443 -1.798 -4.038 1.00 9.62 C ATOM 325 CE LYS A 23 25.771 -3.091 -4.785 1.00 10.49 C ATOM 326 NZ LYS A 23 24.540 -3.772 -5.296 1.00 11.12 N ATOM 0 H LYS A 23 21.358 -0.086 -0.683 1.00 7.27 H new ATOM 0 HA LYS A 23 22.535 -1.838 -1.184 1.00 7.12 H new ATOM 0 HB2 LYS A 23 23.570 -0.200 -2.917 1.00 8.04 H new ATOM 0 HB3 LYS A 23 24.969 -0.191 -1.862 1.00 8.04 H new ATOM 0 HG2 LYS A 23 25.173 -2.633 -2.073 1.00 8.77 H new ATOM 0 HG3 LYS A 23 23.735 -2.683 -3.073 1.00 8.77 H new ATOM 0 HD2 LYS A 23 24.914 -1.116 -4.704 1.00 9.62 H new ATOM 0 HD3 LYS A 23 26.368 -1.302 -3.744 1.00 9.62 H new ATOM 0 HE2 LYS A 23 26.435 -2.869 -5.620 1.00 10.49 H new ATOM 0 HE3 LYS A 23 26.310 -3.767 -4.121 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 24.804 -4.466 -6.024 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 24.062 -4.259 -4.511 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 23.898 -3.065 -5.708 1.00 11.12 H new ATOM 340 N ASN A 24 24.488 -0.384 1.034 1.00 5.86 N ATOM 341 CA ASN A 24 25.344 -0.536 2.213 1.00 5.58 C ATOM 342 C ASN A 24 24.696 -1.416 3.305 1.00 5.25 C ATOM 343 O ASN A 24 25.063 -2.572 3.463 1.00 5.71 O ATOM 344 CB ASN A 24 25.767 0.862 2.763 1.00 5.59 C ATOM 345 CG ASN A 24 26.738 0.810 3.935 1.00 6.03 C ATOM 346 OD1 ASN A 24 27.529 -0.111 4.079 1.00 6.46 O ATOM 347 ND2 ASN A 24 26.702 1.834 4.752 1.00 6.29 N ATOM 0 H ASN A 24 24.282 0.591 0.815 1.00 5.86 H new ATOM 0 HA ASN A 24 26.245 -1.064 1.900 1.00 5.58 H new ATOM 0 HB2 ASN A 24 26.223 1.434 1.955 1.00 5.59 H new ATOM 0 HB3 ASN A 24 24.873 1.403 3.072 1.00 5.59 H new ATOM 0 HD21 ASN A 24 27.348 1.881 5.540 1.00 6.29 H new ATOM 0 HD22 ASN A 24 26.028 2.584 4.600 1.00 6.29 H new ATOM 354 N LEU A 25 23.711 -0.885 4.030 1.00 4.87 N ATOM 355 CA LEU A 25 23.087 -1.658 5.106 1.00 4.97 C ATOM 356 C LEU A 25 21.623 -1.955 4.827 1.00 4.70 C ATOM 357 O LEU A 25 21.283 -3.032 4.306 1.00 4.86 O ATOM 358 CB LEU A 25 23.270 -0.989 6.487 1.00 5.36 C ATOM 359 CG LEU A 25 24.720 -0.818 6.969 1.00 6.04 C ATOM 360 CD1 LEU A 25 24.751 -0.114 8.313 1.00 6.81 C ATOM 361 CD2 LEU A 25 25.434 -2.172 7.061 1.00 6.58 C ATOM 0 H LEU A 25 23.335 0.054 3.898 1.00 4.87 H new ATOM 0 HA LEU A 25 23.610 -2.614 5.137 1.00 4.97 H new ATOM 0 HB2 LEU A 25 22.800 -0.006 6.457 1.00 5.36 H new ATOM 0 HB3 LEU A 25 22.729 -1.578 7.228 1.00 5.36 H new ATOM 0 HG LEU A 25 25.248 -0.205 6.238 1.00 6.04 H new ATOM 0 HD11 LEU A 25 25.784 -0.001 8.641 1.00 6.81 H new ATOM 0 HD12 LEU A 25 24.290 0.869 8.219 1.00 6.81 H new ATOM 0 HD13 LEU A 25 24.201 -0.704 9.046 1.00 6.81 H new ATOM 0 HD21 LEU A 25 26.457 -2.021 7.404 1.00 6.58 H new ATOM 0 HD22 LEU A 25 24.906 -2.815 7.766 1.00 6.58 H new ATOM 0 HD23 LEU A 25 25.447 -2.644 6.079 1.00 6.58 H new ATOM 373 N GLU A 26 20.756 -1.021 5.126 1.00 4.76 N ATOM 374 CA GLU A 26 19.354 -1.227 4.887 1.00 4.96 C ATOM 375 C GLU A 26 18.893 -0.476 3.670 1.00 4.83 C ATOM 376 O GLU A 26 18.961 0.747 3.607 1.00 4.95 O ATOM 377 CB GLU A 26 18.515 -0.918 6.104 1.00 5.70 C ATOM 378 CG GLU A 26 18.766 -1.886 7.259 1.00 6.48 C ATOM 379 CD GLU A 26 17.924 -1.593 8.456 1.00 7.27 C ATOM 380 OE1 GLU A 26 16.713 -1.911 8.440 1.00 7.70 O ATOM 381 OE2 GLU A 26 18.462 -1.038 9.445 1.00 7.68 O ATOM 0 H GLU A 26 20.996 -0.117 5.533 1.00 4.76 H new ATOM 0 HA GLU A 26 19.212 -2.288 4.684 1.00 4.96 H new ATOM 0 HB2 GLU A 26 18.726 0.099 6.436 1.00 5.70 H new ATOM 0 HB3 GLU A 26 17.460 -0.952 5.830 1.00 5.70 H new ATOM 0 HG2 GLU A 26 18.569 -2.904 6.923 1.00 6.48 H new ATOM 0 HG3 GLU A 26 19.818 -1.842 7.541 1.00 6.48 H new ATOM 388 N LYS A 27 18.441 -1.227 2.695 1.00 5.08 N ATOM 389 CA LYS A 27 18.031 -0.679 1.433 1.00 5.48 C ATOM 390 C LYS A 27 16.605 -0.172 1.497 1.00 5.57 C ATOM 391 O LYS A 27 15.661 -0.947 1.393 1.00 6.04 O ATOM 392 CB LYS A 27 18.207 -1.702 0.278 1.00 6.20 C ATOM 393 CG LYS A 27 19.662 -1.968 -0.160 1.00 6.72 C ATOM 394 CD LYS A 27 20.576 -2.608 0.907 1.00 7.40 C ATOM 395 CE LYS A 27 20.205 -4.050 1.236 1.00 8.14 C ATOM 396 NZ LYS A 27 21.187 -4.654 2.186 1.00 8.86 N ATOM 0 H LYS A 27 18.348 -2.241 2.759 1.00 5.08 H new ATOM 0 HA LYS A 27 18.682 0.169 1.220 1.00 5.48 H new ATOM 0 HB2 LYS A 27 17.759 -2.648 0.583 1.00 6.20 H new ATOM 0 HB3 LYS A 27 17.645 -1.348 -0.586 1.00 6.20 H new ATOM 0 HG2 LYS A 27 19.646 -2.618 -1.035 1.00 6.72 H new ATOM 0 HG3 LYS A 27 20.106 -1.023 -0.473 1.00 6.72 H new ATOM 0 HD2 LYS A 27 21.608 -2.577 0.557 1.00 7.40 H new ATOM 0 HD3 LYS A 27 20.531 -2.012 1.818 1.00 7.40 H new ATOM 0 HE2 LYS A 27 19.206 -4.082 1.671 1.00 8.14 H new ATOM 0 HE3 LYS A 27 20.172 -4.639 0.319 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 20.789 -5.526 2.589 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 22.067 -4.878 1.680 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 21.390 -3.980 2.951 1.00 8.86 H new ATOM 410 N ALA A 28 16.474 1.113 1.698 1.00 5.50 N ATOM 411 CA ALA A 28 15.185 1.751 1.804 1.00 5.97 C ATOM 412 C ALA A 28 14.535 1.907 0.437 1.00 6.23 C ATOM 413 O ALA A 28 15.086 2.561 -0.458 1.00 6.48 O ATOM 414 CB ALA A 28 15.317 3.106 2.486 1.00 6.27 C ATOM 0 H ALA A 28 17.263 1.752 1.794 1.00 5.50 H new ATOM 0 HA ALA A 28 14.543 1.113 2.412 1.00 5.97 H new ATOM 0 HB1 ALA A 28 14.335 3.574 2.558 1.00 6.27 H new ATOM 0 HB2 ALA A 28 15.729 2.971 3.486 1.00 6.27 H new ATOM 0 HB3 ALA A 28 15.981 3.744 1.903 1.00 6.27 H new ATOM 420 N LYS A 29 13.397 1.274 0.275 1.00 6.51 N ATOM 421 CA LYS A 29 12.592 1.358 -0.922 1.00 7.02 C ATOM 422 C LYS A 29 11.133 1.483 -0.520 1.00 6.93 C ATOM 423 O LYS A 29 10.676 0.771 0.366 1.00 7.10 O ATOM 424 CB LYS A 29 12.797 0.126 -1.836 1.00 7.79 C ATOM 425 CG LYS A 29 14.158 0.035 -2.511 1.00 8.36 C ATOM 426 CD LYS A 29 14.264 -1.218 -3.370 1.00 9.07 C ATOM 427 CE LYS A 29 15.542 -1.241 -4.192 1.00 9.70 C ATOM 428 NZ LYS A 29 16.760 -1.156 -3.367 1.00 10.01 N ATOM 0 H LYS A 29 12.994 0.670 0.991 1.00 6.51 H new ATOM 0 HA LYS A 29 12.900 2.234 -1.493 1.00 7.02 H new ATOM 0 HB2 LYS A 29 12.643 -0.775 -1.243 1.00 7.79 H new ATOM 0 HB3 LYS A 29 12.027 0.135 -2.608 1.00 7.79 H new ATOM 0 HG2 LYS A 29 14.320 0.918 -3.129 1.00 8.36 H new ATOM 0 HG3 LYS A 29 14.942 0.028 -1.754 1.00 8.36 H new ATOM 0 HD2 LYS A 29 14.229 -2.100 -2.730 1.00 9.07 H new ATOM 0 HD3 LYS A 29 13.404 -1.274 -4.037 1.00 9.07 H new ATOM 0 HE2 LYS A 29 15.572 -2.158 -4.781 1.00 9.70 H new ATOM 0 HE3 LYS A 29 15.529 -0.410 -4.897 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 17.598 -1.261 -3.974 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 16.792 -0.233 -2.889 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 16.751 -1.914 -2.655 1.00 10.01 H new ATOM 442 N ALA A 30 10.417 2.404 -1.136 1.00 7.00 N ATOM 443 CA ALA A 30 9.005 2.601 -0.814 1.00 7.22 C ATOM 444 C ALA A 30 8.159 2.694 -2.085 1.00 7.17 C ATOM 445 O ALA A 30 6.965 2.992 -2.033 1.00 7.27 O ATOM 446 CB ALA A 30 8.839 3.853 0.042 1.00 7.43 C ATOM 0 H ALA A 30 10.780 3.026 -1.858 1.00 7.00 H new ATOM 0 HA ALA A 30 8.654 1.738 -0.248 1.00 7.22 H new ATOM 0 HB1 ALA A 30 7.785 3.995 0.279 1.00 7.43 H new ATOM 0 HB2 ALA A 30 9.406 3.740 0.966 1.00 7.43 H new ATOM 0 HB3 ALA A 30 9.207 4.720 -0.506 1.00 7.43 H new ATOM 452 N ALA A 31 8.768 2.408 -3.218 1.00 7.30 N ATOM 453 CA ALA A 31 8.085 2.507 -4.482 1.00 7.49 C ATOM 454 C ALA A 31 7.787 1.129 -5.047 1.00 7.26 C ATOM 455 O ALA A 31 8.666 0.464 -5.576 1.00 7.29 O ATOM 456 CB ALA A 31 8.882 3.352 -5.474 1.00 8.16 C ATOM 0 H ALA A 31 9.739 2.104 -3.284 1.00 7.30 H new ATOM 0 HA ALA A 31 7.133 3.010 -4.311 1.00 7.49 H new ATOM 0 HB1 ALA A 31 8.342 3.409 -6.419 1.00 8.16 H new ATOM 0 HB2 ALA A 31 9.016 4.356 -5.071 1.00 8.16 H new ATOM 0 HB3 ALA A 31 9.857 2.895 -5.640 1.00 8.16 H new ATOM 462 N GLY A 32 6.553 0.690 -4.873 1.00 7.31 N ATOM 463 CA GLY A 32 6.132 -0.592 -5.401 1.00 7.37 C ATOM 464 C GLY A 32 5.310 -0.426 -6.668 1.00 7.39 C ATOM 465 O GLY A 32 5.840 -0.447 -7.765 1.00 7.69 O ATOM 0 H GLY A 32 5.828 1.202 -4.371 1.00 7.31 H new ATOM 0 HA2 GLY A 32 7.008 -1.206 -5.611 1.00 7.37 H new ATOM 0 HA3 GLY A 32 5.544 -1.121 -4.651 1.00 7.37 H new ATOM 469 N LYS A 33 4.007 -0.207 -6.507 1.00 7.33 N ATOM 470 CA LYS A 33 3.107 -0.005 -7.650 1.00 7.58 C ATOM 471 C LYS A 33 3.004 1.496 -7.980 1.00 7.81 C ATOM 472 O LYS A 33 2.017 1.955 -8.557 1.00 8.09 O ATOM 473 CB LYS A 33 1.703 -0.581 -7.346 1.00 7.70 C ATOM 474 CG LYS A 33 0.994 0.055 -6.145 1.00 7.71 C ATOM 475 CD LYS A 33 -0.442 -0.466 -5.978 1.00 8.10 C ATOM 476 CE LYS A 33 -1.342 -0.118 -7.181 1.00 8.68 C ATOM 477 NZ LYS A 33 -2.752 -0.551 -6.966 1.00 8.86 N ATOM 0 H LYS A 33 3.547 -0.164 -5.598 1.00 7.33 H new ATOM 0 HA LYS A 33 3.516 -0.532 -8.512 1.00 7.58 H new ATOM 0 HB2 LYS A 33 1.076 -0.456 -8.228 1.00 7.70 H new ATOM 0 HB3 LYS A 33 1.796 -1.653 -7.170 1.00 7.70 H new ATOM 0 HG2 LYS A 33 1.562 -0.152 -5.238 1.00 7.71 H new ATOM 0 HG3 LYS A 33 0.974 1.138 -6.268 1.00 7.71 H new ATOM 0 HD2 LYS A 33 -0.419 -1.548 -5.847 1.00 8.10 H new ATOM 0 HD3 LYS A 33 -0.875 -0.044 -5.071 1.00 8.10 H new ATOM 0 HE2 LYS A 33 -1.315 0.958 -7.355 1.00 8.68 H new ATOM 0 HE3 LYS A 33 -0.949 -0.596 -8.078 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 -3.323 -0.298 -7.798 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 -2.781 -1.581 -6.826 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 -3.137 -0.076 -6.125 1.00 8.86 H new ATOM 491 N GLY A 34 4.033 2.238 -7.633 1.00 7.92 N ATOM 492 CA GLY A 34 4.046 3.658 -7.887 1.00 8.28 C ATOM 493 C GLY A 34 4.381 3.951 -9.329 1.00 8.23 C ATOM 494 O GLY A 34 5.541 3.904 -9.711 1.00 8.16 O ATOM 0 H GLY A 34 4.871 1.880 -7.174 1.00 7.92 H new ATOM 0 HA2 GLY A 34 3.072 4.083 -7.644 1.00 8.28 H new ATOM 0 HA3 GLY A 34 4.776 4.140 -7.236 1.00 8.28 H new ATOM 498 N SER A 35 3.368 4.230 -10.111 1.00 8.52 N ATOM 499 CA SER A 35 3.517 4.535 -11.518 1.00 8.67 C ATOM 500 C SER A 35 4.375 5.788 -11.726 1.00 8.96 C ATOM 501 O SER A 35 5.283 5.805 -12.585 1.00 9.53 O ATOM 502 CB SER A 35 2.129 4.674 -12.145 1.00 8.87 C ATOM 503 OG SER A 35 1.324 5.565 -11.388 1.00 8.86 O ATOM 0 H SER A 35 2.401 4.253 -9.786 1.00 8.52 H new ATOM 0 HA SER A 35 4.043 3.721 -12.016 1.00 8.67 H new ATOM 0 HB2 SER A 35 2.221 5.039 -13.168 1.00 8.87 H new ATOM 0 HB3 SER A 35 1.649 3.697 -12.197 1.00 8.87 H new ATOM 0 HG SER A 35 0.441 5.643 -11.805 1.00 8.86 H new ATOM 509 N GLN A 36 4.092 6.818 -10.942 1.00 8.75 N ATOM 510 CA GLN A 36 4.861 8.045 -10.958 1.00 9.17 C ATOM 511 C GLN A 36 4.356 8.854 -9.783 1.00 8.70 C ATOM 512 O GLN A 36 3.233 9.371 -9.824 1.00 8.58 O ATOM 513 CB GLN A 36 4.641 8.805 -12.301 1.00 10.09 C ATOM 514 CG GLN A 36 5.819 9.681 -12.811 1.00 10.66 C ATOM 515 CD GLN A 36 6.206 10.894 -11.957 1.00 11.45 C ATOM 516 OE1 GLN A 36 6.076 10.912 -10.748 1.00 11.91 O ATOM 517 NE2 GLN A 36 6.702 11.913 -12.617 1.00 11.81 N ATOM 0 H GLN A 36 3.319 6.822 -10.276 1.00 8.75 H new ATOM 0 HA GLN A 36 5.932 7.859 -10.879 1.00 9.17 H new ATOM 0 HB2 GLN A 36 4.405 8.071 -13.072 1.00 10.09 H new ATOM 0 HB3 GLN A 36 3.765 9.444 -12.190 1.00 10.09 H new ATOM 0 HG2 GLN A 36 6.697 9.043 -12.910 1.00 10.66 H new ATOM 0 HG3 GLN A 36 5.569 10.037 -13.810 1.00 10.66 H new ATOM 0 HE21 GLN A 36 6.798 11.866 -13.631 1.00 11.81 H new ATOM 0 HE22 GLN A 36 6.992 12.753 -12.116 1.00 11.81 H new ATOM 526 N LEU A 37 5.159 8.905 -8.722 1.00 8.63 N ATOM 527 CA LEU A 37 4.825 9.606 -7.477 1.00 8.33 C ATOM 528 C LEU A 37 3.670 8.904 -6.721 1.00 7.59 C ATOM 529 O LEU A 37 3.915 8.134 -5.765 1.00 7.53 O ATOM 530 CB LEU A 37 4.519 11.117 -7.721 1.00 8.94 C ATOM 531 CG LEU A 37 4.107 11.954 -6.487 1.00 9.62 C ATOM 532 CD1 LEU A 37 5.217 11.982 -5.444 1.00 10.08 C ATOM 533 CD2 LEU A 37 3.724 13.371 -6.894 1.00 9.94 C ATOM 0 H LEU A 37 6.074 8.455 -8.700 1.00 8.63 H new ATOM 0 HA LEU A 37 5.707 9.560 -6.839 1.00 8.33 H new ATOM 0 HB2 LEU A 37 5.404 11.576 -8.162 1.00 8.94 H new ATOM 0 HB3 LEU A 37 3.721 11.187 -8.460 1.00 8.94 H new ATOM 0 HG LEU A 37 3.235 11.476 -6.041 1.00 9.62 H new ATOM 0 HD11 LEU A 37 4.898 12.578 -4.589 1.00 10.08 H new ATOM 0 HD12 LEU A 37 5.435 10.965 -5.117 1.00 10.08 H new ATOM 0 HD13 LEU A 37 6.114 12.423 -5.879 1.00 10.08 H new ATOM 0 HD21 LEU A 37 3.438 13.939 -6.009 1.00 9.94 H new ATOM 0 HD22 LEU A 37 4.574 13.853 -7.376 1.00 9.94 H new ATOM 0 HD23 LEU A 37 2.885 13.336 -7.589 1.00 9.94 H new ATOM 545 N GLU A 38 2.442 9.131 -7.191 1.00 7.28 N ATOM 546 CA GLU A 38 1.233 8.629 -6.555 1.00 6.85 C ATOM 547 C GLU A 38 1.172 9.027 -5.076 1.00 6.29 C ATOM 548 O GLU A 38 1.591 8.277 -4.193 1.00 6.53 O ATOM 549 CB GLU A 38 1.074 7.118 -6.754 1.00 7.02 C ATOM 550 CG GLU A 38 0.824 6.712 -8.191 1.00 7.23 C ATOM 551 CD GLU A 38 -0.469 7.286 -8.740 1.00 7.58 C ATOM 552 OE1 GLU A 38 -1.527 6.639 -8.557 1.00 7.82 O ATOM 553 OE2 GLU A 38 -0.452 8.365 -9.340 1.00 7.86 O ATOM 0 H GLU A 38 2.262 9.676 -8.034 1.00 7.28 H new ATOM 0 HA GLU A 38 0.383 9.101 -7.047 1.00 6.85 H new ATOM 0 HB2 GLU A 38 1.974 6.618 -6.397 1.00 7.02 H new ATOM 0 HB3 GLU A 38 0.247 6.765 -6.138 1.00 7.02 H new ATOM 0 HG2 GLU A 38 1.657 7.045 -8.810 1.00 7.23 H new ATOM 0 HG3 GLU A 38 0.792 5.625 -8.258 1.00 7.23 H new ATOM 560 N ALA A 39 0.708 10.221 -4.825 1.00 5.86 N ATOM 561 CA ALA A 39 0.656 10.754 -3.484 1.00 5.57 C ATOM 562 C ALA A 39 -0.481 10.137 -2.685 1.00 5.31 C ATOM 563 O ALA A 39 -1.653 10.172 -3.113 1.00 5.56 O ATOM 564 CB ALA A 39 0.535 12.276 -3.523 1.00 5.92 C ATOM 0 H ALA A 39 0.354 10.855 -5.542 1.00 5.86 H new ATOM 0 HA ALA A 39 1.586 10.493 -2.980 1.00 5.57 H new ATOM 0 HB1 ALA A 39 0.497 12.664 -2.505 1.00 5.92 H new ATOM 0 HB2 ALA A 39 1.398 12.696 -4.040 1.00 5.92 H new ATOM 0 HB3 ALA A 39 -0.376 12.555 -4.052 1.00 5.92 H new ATOM 570 N ASN A 40 -0.122 9.564 -1.529 1.00 5.21 N ATOM 571 CA ASN A 40 -1.075 8.913 -0.598 1.00 5.30 C ATOM 572 C ASN A 40 -1.714 7.679 -1.232 1.00 4.90 C ATOM 573 O ASN A 40 -1.301 7.242 -2.312 1.00 4.87 O ATOM 574 CB ASN A 40 -2.169 9.897 -0.105 1.00 5.95 C ATOM 575 CG ASN A 40 -1.627 11.081 0.689 1.00 6.36 C ATOM 576 OD1 ASN A 40 -0.569 10.870 1.446 1.00 6.54 O flip ATOM 577 ND2 ASN A 40 -2.181 12.170 0.638 1.00 6.88 N flip ATOM 0 H ASN A 40 0.844 9.535 -1.204 1.00 5.21 H new ATOM 0 HA ASN A 40 -0.499 8.595 0.271 1.00 5.30 H new ATOM 0 HB2 ASN A 40 -2.720 10.273 -0.967 1.00 5.95 H new ATOM 0 HB3 ASN A 40 -2.880 9.352 0.515 1.00 5.95 H new ATOM 0 HD21 ASN A 40 -2.998 12.299 0.041 1.00 6.88 H new ATOM 0 HD22 ASN A 40 -1.826 12.949 1.192 1.00 6.88 H new ATOM 584 N LYS A 41 -2.675 7.075 -0.501 1.00 4.91 N ATOM 585 CA LYS A 41 -3.501 5.913 -0.974 1.00 4.79 C ATOM 586 C LYS A 41 -2.632 4.646 -1.114 1.00 5.11 C ATOM 587 O LYS A 41 -3.098 3.591 -1.527 1.00 5.52 O ATOM 588 CB LYS A 41 -4.173 6.207 -2.346 1.00 5.30 C ATOM 589 CG LYS A 41 -4.846 7.582 -2.494 1.00 6.03 C ATOM 590 CD LYS A 41 -5.882 7.872 -1.413 1.00 6.55 C ATOM 591 CE LYS A 41 -6.588 9.204 -1.683 1.00 7.33 C ATOM 592 NZ LYS A 41 -5.640 10.341 -1.812 1.00 7.95 N ATOM 0 H LYS A 41 -2.912 7.374 0.445 1.00 4.91 H new ATOM 0 HA LYS A 41 -4.277 5.752 -0.225 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -3.417 6.111 -3.125 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -4.922 5.437 -2.532 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -4.080 8.357 -2.469 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -5.326 7.639 -3.471 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -6.615 7.066 -1.380 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -5.398 7.903 -0.437 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -7.175 9.120 -2.598 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -7.288 9.410 -0.873 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -6.169 11.236 -1.807 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -4.973 10.329 -1.015 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -5.114 10.255 -2.705 1.00 7.95 H new ATOM 606 N LYS A 42 -1.379 4.767 -0.715 1.00 5.29 N ATOM 607 CA LYS A 42 -0.371 3.748 -0.913 1.00 6.01 C ATOM 608 C LYS A 42 -0.316 2.845 0.335 1.00 6.11 C ATOM 609 O LYS A 42 0.571 2.012 0.497 1.00 6.74 O ATOM 610 CB LYS A 42 0.967 4.483 -1.116 1.00 6.24 C ATOM 611 CG LYS A 42 2.047 3.680 -1.818 1.00 6.53 C ATOM 612 CD LYS A 42 3.377 4.463 -1.919 1.00 7.13 C ATOM 613 CE LYS A 42 3.213 5.861 -2.541 1.00 7.68 C ATOM 614 NZ LYS A 42 2.602 5.840 -3.902 1.00 8.17 N ATOM 0 H LYS A 42 -1.029 5.595 -0.234 1.00 5.29 H new ATOM 0 HA LYS A 42 -0.591 3.118 -1.775 1.00 6.01 H new ATOM 0 HB2 LYS A 42 0.781 5.391 -1.690 1.00 6.24 H new ATOM 0 HB3 LYS A 42 1.344 4.794 -0.142 1.00 6.24 H new ATOM 0 HG2 LYS A 42 2.215 2.748 -1.278 1.00 6.53 H new ATOM 0 HG3 LYS A 42 1.707 3.412 -2.818 1.00 6.53 H new ATOM 0 HD2 LYS A 42 3.808 4.564 -0.923 1.00 7.13 H new ATOM 0 HD3 LYS A 42 4.085 3.888 -2.516 1.00 7.13 H new ATOM 0 HE2 LYS A 42 2.595 6.472 -1.883 1.00 7.68 H new ATOM 0 HE3 LYS A 42 4.190 6.342 -2.597 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 2.505 6.814 -4.254 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 3.211 5.297 -4.547 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 1.664 5.394 -3.854 1.00 8.17 H new ATOM 628 N ALA A 43 -1.304 3.020 1.196 1.00 5.71 N ATOM 629 CA ALA A 43 -1.388 2.301 2.460 1.00 5.93 C ATOM 630 C ALA A 43 -2.333 1.113 2.338 1.00 5.58 C ATOM 631 O ALA A 43 -2.658 0.461 3.337 1.00 5.78 O ATOM 632 CB ALA A 43 -1.908 3.244 3.528 1.00 5.86 C ATOM 0 H ALA A 43 -2.076 3.668 1.039 1.00 5.71 H new ATOM 0 HA ALA A 43 -0.397 1.934 2.727 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -1.975 2.715 4.479 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -1.227 4.089 3.630 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -2.896 3.606 3.244 1.00 5.86 H new ATOM 638 N MET A 44 -2.738 0.832 1.111 1.00 5.27 N ATOM 639 CA MET A 44 -3.704 -0.215 0.814 1.00 5.14 C ATOM 640 C MET A 44 -5.044 0.095 1.475 1.00 4.41 C ATOM 641 O MET A 44 -5.382 -0.436 2.524 1.00 4.57 O ATOM 642 CB MET A 44 -3.210 -1.639 1.160 1.00 5.83 C ATOM 643 CG MET A 44 -1.984 -2.101 0.395 1.00 6.40 C ATOM 644 SD MET A 44 -1.479 -3.778 0.860 1.00 6.97 S ATOM 645 CE MET A 44 -0.058 -4.024 -0.198 1.00 7.62 C ATOM 0 H MET A 44 -2.403 1.328 0.285 1.00 5.27 H new ATOM 0 HA MET A 44 -3.836 -0.217 -0.268 1.00 5.14 H new ATOM 0 HB2 MET A 44 -2.990 -1.681 2.227 1.00 5.83 H new ATOM 0 HB3 MET A 44 -4.021 -2.343 0.974 1.00 5.83 H new ATOM 0 HG2 MET A 44 -2.192 -2.069 -0.675 1.00 6.40 H new ATOM 0 HG3 MET A 44 -1.161 -1.411 0.580 1.00 6.40 H new ATOM 0 HE1 MET A 44 0.359 -5.016 -0.022 1.00 7.62 H new ATOM 0 HE2 MET A 44 -0.362 -3.938 -1.241 1.00 7.62 H new ATOM 0 HE3 MET A 44 0.696 -3.269 0.024 1.00 7.62 H new ATOM 655 N SER A 45 -5.726 1.047 0.885 1.00 3.91 N ATOM 656 CA SER A 45 -7.021 1.521 1.325 1.00 3.31 C ATOM 657 C SER A 45 -8.050 0.373 1.509 1.00 3.15 C ATOM 658 O SER A 45 -8.590 0.185 2.592 1.00 3.30 O ATOM 659 CB SER A 45 -7.510 2.503 0.300 1.00 3.27 C ATOM 660 OG SER A 45 -6.576 3.552 0.104 1.00 3.82 O ATOM 0 H SER A 45 -5.384 1.532 0.055 1.00 3.91 H new ATOM 0 HA SER A 45 -6.915 1.987 2.305 1.00 3.31 H new ATOM 0 HB2 SER A 45 -7.686 1.989 -0.645 1.00 3.27 H new ATOM 0 HB3 SER A 45 -8.466 2.919 0.619 1.00 3.27 H new ATOM 0 HG SER A 45 -6.920 4.175 -0.570 1.00 3.82 H new ATOM 666 N ILE A 46 -8.320 -0.369 0.448 1.00 3.06 N ATOM 667 CA ILE A 46 -9.266 -1.477 0.513 1.00 2.90 C ATOM 668 C ILE A 46 -8.612 -2.726 -0.038 1.00 3.39 C ATOM 669 O ILE A 46 -8.078 -2.694 -1.135 1.00 3.76 O ATOM 670 CB ILE A 46 -10.555 -1.182 -0.323 1.00 2.48 C ATOM 671 CG1 ILE A 46 -11.264 0.078 0.175 1.00 2.40 C ATOM 672 CG2 ILE A 46 -11.501 -2.377 -0.322 1.00 2.38 C ATOM 673 CD1 ILE A 46 -12.508 0.449 -0.604 1.00 2.53 C ATOM 0 H ILE A 46 -7.899 -0.226 -0.470 1.00 3.06 H new ATOM 0 HA ILE A 46 -9.550 -1.613 1.556 1.00 2.90 H new ATOM 0 HB ILE A 46 -10.244 -1.004 -1.352 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -11.535 -0.062 1.221 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -10.564 0.913 0.136 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -12.387 -2.140 -0.911 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -10.997 -3.241 -0.756 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -11.797 -2.606 0.702 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -12.945 1.354 -0.182 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -12.245 0.625 -1.647 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -13.231 -0.365 -0.545 1.00 2.53 H new ATOM 685 N GLN A 47 -8.659 -3.805 0.711 1.00 3.62 N ATOM 686 CA GLN A 47 -8.086 -5.051 0.258 1.00 4.26 C ATOM 687 C GLN A 47 -9.236 -5.912 -0.262 1.00 4.05 C ATOM 688 O GLN A 47 -10.224 -6.135 0.449 1.00 3.59 O ATOM 689 CB GLN A 47 -7.380 -5.756 1.407 1.00 4.89 C ATOM 690 CG GLN A 47 -6.082 -6.504 1.025 1.00 5.73 C ATOM 691 CD GLN A 47 -4.953 -5.552 0.617 1.00 6.34 C ATOM 692 OE1 GLN A 47 -5.183 -4.483 0.044 1.00 6.66 O ATOM 693 NE2 GLN A 47 -3.741 -5.902 0.973 1.00 6.79 N ATOM 0 H GLN A 47 -9.088 -3.844 1.636 1.00 3.62 H new ATOM 0 HA GLN A 47 -7.349 -4.874 -0.525 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -7.143 -5.018 2.173 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -8.072 -6.469 1.855 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -5.754 -7.110 1.870 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -6.290 -7.189 0.203 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -3.585 -6.793 1.445 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -2.954 -5.284 0.778 1.00 6.79 H new ATOM 702 N CYS A 48 -9.118 -6.348 -1.489 1.00 4.51 N ATOM 703 CA CYS A 48 -10.135 -7.117 -2.181 1.00 4.51 C ATOM 704 C CYS A 48 -10.441 -8.413 -1.452 1.00 4.78 C ATOM 705 O CYS A 48 -9.552 -9.258 -1.258 1.00 5.43 O ATOM 706 CB CYS A 48 -9.680 -7.414 -3.606 1.00 5.18 C ATOM 707 SG CYS A 48 -10.963 -8.107 -4.668 1.00 5.33 S ATOM 0 H CYS A 48 -8.288 -6.176 -2.057 1.00 4.51 H new ATOM 0 HA CYS A 48 -11.049 -6.523 -2.207 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -9.311 -6.492 -4.056 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -8.841 -8.109 -3.569 1.00 5.18 H new ATOM 0 HG CYS A 48 -10.476 -8.320 -5.854 1.00 5.33 H new ATOM 713 N LYS A 49 -11.711 -8.567 -1.101 1.00 4.37 N ATOM 714 CA LYS A 49 -12.257 -9.717 -0.369 1.00 4.60 C ATOM 715 C LYS A 49 -11.870 -11.047 -1.042 1.00 5.45 C ATOM 716 O LYS A 49 -11.693 -12.053 -0.380 1.00 5.91 O ATOM 717 CB LYS A 49 -13.817 -9.549 -0.336 1.00 4.03 C ATOM 718 CG LYS A 49 -14.652 -10.510 0.558 1.00 4.13 C ATOM 719 CD LYS A 49 -14.612 -12.002 0.138 1.00 4.80 C ATOM 720 CE LYS A 49 -15.187 -12.269 -1.267 1.00 5.08 C ATOM 721 NZ LYS A 49 -16.622 -11.896 -1.378 1.00 5.64 N ATOM 0 H LYS A 49 -12.422 -7.870 -1.324 1.00 4.37 H new ATOM 0 HA LYS A 49 -11.847 -9.746 0.641 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -14.033 -8.529 -0.017 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -14.182 -9.648 -1.358 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -14.295 -10.428 1.585 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -15.689 -10.175 0.554 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -13.580 -12.351 0.170 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -15.170 -12.590 0.867 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -14.612 -11.708 -2.004 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -15.070 -13.325 -1.509 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -17.095 -12.531 -2.052 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -17.076 -11.981 -0.446 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -16.701 -10.915 -1.714 1.00 5.64 H new ATOM 735 N VAL A 50 -11.736 -11.031 -2.354 1.00 5.76 N ATOM 736 CA VAL A 50 -11.485 -12.258 -3.114 1.00 6.62 C ATOM 737 C VAL A 50 -10.144 -12.896 -2.753 1.00 7.31 C ATOM 738 O VAL A 50 -9.992 -14.103 -2.839 1.00 7.94 O ATOM 739 CB VAL A 50 -11.568 -12.042 -4.658 1.00 6.99 C ATOM 740 CG1 VAL A 50 -12.856 -11.335 -5.032 1.00 6.73 C ATOM 741 CG2 VAL A 50 -10.355 -11.297 -5.219 1.00 7.56 C ATOM 0 H VAL A 50 -11.795 -10.187 -2.923 1.00 5.76 H new ATOM 0 HA VAL A 50 -12.284 -12.942 -2.828 1.00 6.62 H new ATOM 0 HB VAL A 50 -11.564 -13.032 -5.114 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -12.893 -11.194 -6.112 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -13.707 -11.937 -4.715 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -12.895 -10.364 -4.538 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -10.469 -11.176 -6.296 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -10.281 -10.316 -4.750 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -9.450 -11.867 -5.011 1.00 7.56 H new ATOM 751 N CYS A 51 -9.186 -12.083 -2.326 1.00 7.22 N ATOM 752 CA CYS A 51 -7.878 -12.586 -2.003 1.00 7.91 C ATOM 753 C CYS A 51 -7.121 -11.602 -1.125 1.00 7.66 C ATOM 754 O CYS A 51 -7.061 -11.778 0.078 1.00 7.62 O ATOM 755 CB CYS A 51 -7.085 -12.937 -3.287 1.00 8.65 C ATOM 756 SG CYS A 51 -5.424 -13.596 -3.002 1.00 9.28 S ATOM 0 H CYS A 51 -9.300 -11.077 -2.199 1.00 7.22 H new ATOM 0 HA CYS A 51 -7.998 -13.508 -1.434 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -7.656 -13.667 -3.861 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -7.004 -12.041 -3.902 1.00 8.65 H new ATOM 0 HG CYS A 51 -4.858 -13.855 -4.143 1.00 9.28 H new ATOM 762 N MET A 52 -6.585 -10.533 -1.731 1.00 7.53 N ATOM 763 CA MET A 52 -5.767 -9.554 -0.990 1.00 7.36 C ATOM 764 C MET A 52 -5.323 -8.409 -1.939 1.00 7.19 C ATOM 765 O MET A 52 -4.239 -7.881 -1.830 1.00 7.51 O ATOM 766 CB MET A 52 -4.517 -10.279 -0.416 1.00 8.14 C ATOM 767 CG MET A 52 -3.628 -9.434 0.489 1.00 8.25 C ATOM 768 SD MET A 52 -2.120 -10.281 1.013 1.00 9.18 S ATOM 769 CE MET A 52 -2.792 -11.673 1.933 1.00 9.44 C ATOM 0 H MET A 52 -6.700 -10.323 -2.722 1.00 7.53 H new ATOM 0 HA MET A 52 -6.352 -9.126 -0.176 1.00 7.36 H new ATOM 0 HB2 MET A 52 -4.850 -11.153 0.144 1.00 8.14 H new ATOM 0 HB3 MET A 52 -3.916 -10.644 -1.249 1.00 8.14 H new ATOM 0 HG2 MET A 52 -3.357 -8.517 -0.035 1.00 8.25 H new ATOM 0 HG3 MET A 52 -4.196 -9.141 1.372 1.00 8.25 H new ATOM 0 HE1 MET A 52 -1.996 -12.150 2.505 1.00 9.44 H new ATOM 0 HE2 MET A 52 -3.566 -11.319 2.614 1.00 9.44 H new ATOM 0 HE3 MET A 52 -3.222 -12.395 1.238 1.00 9.44 H new ATOM 779 N GLN A 53 -6.182 -8.017 -2.857 1.00 6.77 N ATOM 780 CA GLN A 53 -5.798 -6.960 -3.836 1.00 6.78 C ATOM 781 C GLN A 53 -6.199 -5.620 -3.309 1.00 5.99 C ATOM 782 O GLN A 53 -6.774 -5.558 -2.271 1.00 5.51 O ATOM 783 CB GLN A 53 -6.399 -7.251 -5.200 1.00 7.00 C ATOM 784 CG GLN A 53 -6.048 -8.637 -5.645 1.00 7.73 C ATOM 785 CD GLN A 53 -4.528 -8.875 -5.696 1.00 8.54 C ATOM 786 OE1 GLN A 53 -3.966 -9.324 -4.574 1.00 9.11 O flip ATOM 787 NE2 GLN A 53 -3.885 -8.652 -6.711 1.00 8.65 N flip ATOM 0 H GLN A 53 -7.127 -8.386 -2.965 1.00 6.77 H new ATOM 0 HA GLN A 53 -4.716 -6.955 -3.966 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -7.483 -7.140 -5.157 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -6.033 -6.526 -5.927 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -6.502 -9.359 -4.966 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -6.473 -8.816 -6.632 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -4.356 -8.309 -7.548 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -2.877 -8.809 -6.721 1.00 8.65 H new ATOM 796 N THR A 54 -5.931 -4.557 -4.002 1.00 5.92 N ATOM 797 CA THR A 54 -6.192 -3.297 -3.417 1.00 5.23 C ATOM 798 C THR A 54 -7.047 -2.372 -4.310 1.00 5.04 C ATOM 799 O THR A 54 -6.892 -2.352 -5.523 1.00 5.63 O ATOM 800 CB THR A 54 -4.865 -2.619 -3.077 1.00 5.45 C ATOM 801 OG1 THR A 54 -4.057 -3.509 -2.309 1.00 4.93 O ATOM 802 CG2 THR A 54 -5.096 -1.363 -2.282 1.00 5.93 C ATOM 0 H THR A 54 -5.543 -4.542 -4.945 1.00 5.92 H new ATOM 0 HA THR A 54 -6.777 -3.474 -2.515 1.00 5.23 H new ATOM 0 HB THR A 54 -4.362 -2.362 -4.009 1.00 5.45 H new ATOM 0 HG1 THR A 54 -4.554 -3.799 -1.516 1.00 4.93 H new ATOM 0 HG21 THR A 54 -4.138 -0.897 -2.051 1.00 5.93 H new ATOM 0 HG22 THR A 54 -5.705 -0.671 -2.864 1.00 5.93 H new ATOM 0 HG23 THR A 54 -5.612 -1.609 -1.354 1.00 5.93 H new ATOM 810 N PHE A 55 -7.946 -1.641 -3.673 1.00 4.34 N ATOM 811 CA PHE A 55 -8.779 -0.614 -4.282 1.00 4.27 C ATOM 812 C PHE A 55 -8.594 0.674 -3.481 1.00 3.93 C ATOM 813 O PHE A 55 -7.954 0.651 -2.417 1.00 3.54 O ATOM 814 CB PHE A 55 -10.269 -1.015 -4.291 1.00 3.91 C ATOM 815 CG PHE A 55 -10.595 -2.211 -5.120 1.00 4.29 C ATOM 816 CD1 PHE A 55 -10.530 -3.489 -4.580 1.00 4.24 C ATOM 817 CD2 PHE A 55 -11.001 -2.060 -6.436 1.00 4.83 C ATOM 818 CE1 PHE A 55 -10.855 -4.586 -5.344 1.00 4.63 C ATOM 819 CE2 PHE A 55 -11.318 -3.159 -7.207 1.00 5.27 C ATOM 820 CZ PHE A 55 -11.244 -4.427 -6.660 1.00 5.13 C ATOM 0 H PHE A 55 -8.124 -1.751 -2.675 1.00 4.34 H new ATOM 0 HA PHE A 55 -8.477 -0.478 -5.321 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -10.585 -1.206 -3.265 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -10.855 -0.170 -4.653 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -10.222 -3.622 -3.553 1.00 4.24 H new ATOM 0 HD2 PHE A 55 -11.070 -1.070 -6.863 1.00 4.83 H new ATOM 0 HE1 PHE A 55 -10.806 -5.575 -4.913 1.00 4.63 H new ATOM 0 HE2 PHE A 55 -11.623 -3.030 -8.235 1.00 5.27 H new ATOM 0 HZ PHE A 55 -11.490 -5.291 -7.260 1.00 5.13 H new ATOM 830 N ILE A 56 -9.147 1.771 -3.957 1.00 4.24 N ATOM 831 CA ILE A 56 -8.969 3.062 -3.310 1.00 4.10 C ATOM 832 C ILE A 56 -10.166 3.345 -2.401 1.00 3.68 C ATOM 833 O ILE A 56 -11.326 3.150 -2.792 1.00 3.75 O ATOM 834 CB ILE A 56 -8.776 4.194 -4.406 1.00 4.78 C ATOM 835 CG1 ILE A 56 -8.117 5.497 -3.871 1.00 4.73 C ATOM 836 CG2 ILE A 56 -10.055 4.504 -5.169 1.00 5.23 C ATOM 837 CD1 ILE A 56 -8.938 6.333 -2.938 1.00 4.53 C ATOM 0 H ILE A 56 -9.728 1.797 -4.795 1.00 4.24 H new ATOM 0 HA ILE A 56 -8.072 3.050 -2.691 1.00 4.10 H new ATOM 0 HB ILE A 56 -8.065 3.760 -5.109 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -7.193 5.226 -3.361 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -7.840 6.114 -4.726 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -9.860 5.285 -5.904 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -10.402 3.605 -5.678 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -10.821 4.844 -4.472 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -8.366 7.211 -2.638 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -9.852 6.649 -3.441 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -9.194 5.748 -2.055 1.00 4.53 H new ATOM 849 N CYS A 57 -9.900 3.757 -1.187 1.00 3.44 N ATOM 850 CA CYS A 57 -10.959 4.114 -0.303 1.00 3.38 C ATOM 851 C CYS A 57 -10.992 5.620 -0.248 1.00 3.93 C ATOM 852 O CYS A 57 -10.289 6.239 0.537 1.00 4.21 O ATOM 853 CB CYS A 57 -10.774 3.514 1.103 1.00 3.28 C ATOM 854 SG CYS A 57 -12.246 3.549 2.147 1.00 4.03 S ATOM 0 H CYS A 57 -8.962 3.850 -0.798 1.00 3.44 H new ATOM 0 HA CYS A 57 -11.902 3.712 -0.672 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -10.445 2.480 1.000 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -9.974 4.054 1.610 1.00 3.28 H new ATOM 0 HG CYS A 57 -12.395 4.740 2.647 1.00 4.03 H new ATOM 860 N THR A 58 -11.692 6.202 -1.200 1.00 4.31 N ATOM 861 CA THR A 58 -11.878 7.663 -1.300 1.00 5.03 C ATOM 862 C THR A 58 -12.498 8.356 -0.024 1.00 5.13 C ATOM 863 O THR A 58 -12.720 9.579 -0.020 1.00 5.79 O ATOM 864 CB THR A 58 -12.700 8.038 -2.573 1.00 5.61 C ATOM 865 OG1 THR A 58 -12.776 9.461 -2.709 1.00 6.01 O ATOM 866 CG2 THR A 58 -14.116 7.469 -2.515 1.00 5.89 C ATOM 0 H THR A 58 -12.159 5.681 -1.942 1.00 4.31 H new ATOM 0 HA THR A 58 -10.866 8.059 -1.377 1.00 5.03 H new ATOM 0 HB THR A 58 -12.186 7.606 -3.432 1.00 5.61 H new ATOM 0 HG1 THR A 58 -12.682 9.879 -1.828 1.00 6.01 H new ATOM 0 HG21 THR A 58 -14.658 7.750 -3.418 1.00 5.89 H new ATOM 0 HG22 THR A 58 -14.069 6.382 -2.444 1.00 5.89 H new ATOM 0 HG23 THR A 58 -14.633 7.868 -1.642 1.00 5.89 H new ATOM 874 N THR A 59 -12.761 7.609 1.010 1.00 4.66 N ATOM 875 CA THR A 59 -13.287 8.137 2.238 1.00 4.98 C ATOM 876 C THR A 59 -12.888 7.166 3.346 1.00 4.60 C ATOM 877 O THR A 59 -11.989 6.353 3.153 1.00 4.34 O ATOM 878 CB THR A 59 -14.859 8.344 2.176 1.00 5.47 C ATOM 879 OG1 THR A 59 -15.319 9.058 3.339 1.00 6.19 O ATOM 880 CG2 THR A 59 -15.623 7.012 2.085 1.00 5.90 C ATOM 0 H THR A 59 -12.614 6.600 1.024 1.00 4.66 H new ATOM 0 HA THR A 59 -12.875 9.128 2.429 1.00 4.98 H new ATOM 0 HB THR A 59 -15.059 8.919 1.272 1.00 5.47 H new ATOM 0 HG1 THR A 59 -16.290 9.179 3.285 1.00 6.19 H new ATOM 0 HG21 THR A 59 -16.694 7.209 2.045 1.00 5.90 H new ATOM 0 HG22 THR A 59 -15.318 6.479 1.185 1.00 5.90 H new ATOM 0 HG23 THR A 59 -15.398 6.403 2.961 1.00 5.90 H new ATOM 888 N SER A 60 -13.489 7.269 4.473 1.00 4.93 N ATOM 889 CA SER A 60 -13.236 6.344 5.526 1.00 5.08 C ATOM 890 C SER A 60 -14.130 5.142 5.307 1.00 4.91 C ATOM 891 O SER A 60 -15.312 5.301 4.981 1.00 5.44 O ATOM 892 CB SER A 60 -13.537 6.995 6.880 1.00 5.82 C ATOM 893 OG SER A 60 -13.352 6.085 7.955 1.00 6.47 O ATOM 0 H SER A 60 -14.170 7.994 4.697 1.00 4.93 H new ATOM 0 HA SER A 60 -12.189 6.040 5.526 1.00 5.08 H new ATOM 0 HB2 SER A 60 -12.888 7.860 7.020 1.00 5.82 H new ATOM 0 HB3 SER A 60 -14.563 7.362 6.887 1.00 5.82 H new ATOM 0 HG SER A 60 -13.551 6.535 8.802 1.00 6.47 H new ATOM 899 N GLU A 61 -13.576 3.943 5.455 1.00 4.39 N ATOM 900 CA GLU A 61 -14.371 2.720 5.328 1.00 4.24 C ATOM 901 C GLU A 61 -15.546 2.747 6.311 1.00 4.81 C ATOM 902 O GLU A 61 -16.557 2.159 6.063 1.00 4.86 O ATOM 903 CB GLU A 61 -13.537 1.456 5.577 1.00 4.06 C ATOM 904 CG GLU A 61 -14.365 0.169 5.418 1.00 4.21 C ATOM 905 CD GLU A 61 -13.635 -1.094 5.742 1.00 4.27 C ATOM 906 OE1 GLU A 61 -13.459 -1.393 6.933 1.00 4.34 O ATOM 907 OE2 GLU A 61 -13.172 -1.769 4.807 1.00 4.60 O ATOM 0 H GLU A 61 -12.589 3.789 5.661 1.00 4.39 H new ATOM 0 HA GLU A 61 -14.739 2.686 4.303 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -12.698 1.434 4.881 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -13.117 1.493 6.582 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -15.244 0.238 6.059 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -14.724 0.110 4.391 1.00 4.21 H new ATOM 914 N VAL A 62 -15.401 3.467 7.423 1.00 5.34 N ATOM 915 CA VAL A 62 -16.457 3.561 8.403 1.00 6.05 C ATOM 916 C VAL A 62 -17.661 4.326 7.833 1.00 6.40 C ATOM 917 O VAL A 62 -18.814 4.029 8.168 1.00 6.81 O ATOM 918 CB VAL A 62 -15.942 4.210 9.708 1.00 6.66 C ATOM 919 CG1 VAL A 62 -17.049 4.337 10.733 1.00 7.23 C ATOM 920 CG2 VAL A 62 -14.796 3.376 10.264 1.00 7.09 C ATOM 0 H VAL A 62 -14.558 3.990 7.658 1.00 5.34 H new ATOM 0 HA VAL A 62 -16.789 2.552 8.646 1.00 6.05 H new ATOM 0 HB VAL A 62 -15.587 5.216 9.483 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -16.655 4.797 11.639 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -17.849 4.958 10.330 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -17.441 3.348 10.969 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -14.429 3.830 11.185 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -15.149 2.366 10.473 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -13.988 3.334 9.533 1.00 7.09 H new ATOM 930 N LYS A 63 -17.383 5.258 6.924 1.00 6.35 N ATOM 931 CA LYS A 63 -18.432 6.042 6.272 1.00 6.86 C ATOM 932 C LYS A 63 -19.165 5.099 5.297 1.00 6.61 C ATOM 933 O LYS A 63 -20.399 5.184 5.075 1.00 7.11 O ATOM 934 CB LYS A 63 -17.779 7.273 5.573 1.00 7.01 C ATOM 935 CG LYS A 63 -18.715 8.402 5.107 1.00 7.83 C ATOM 936 CD LYS A 63 -19.563 8.068 3.895 1.00 8.08 C ATOM 937 CE LYS A 63 -20.447 9.265 3.543 1.00 8.93 C ATOM 938 NZ LYS A 63 -21.221 9.058 2.301 1.00 9.36 N ATOM 0 H LYS A 63 -16.437 5.490 6.621 1.00 6.35 H new ATOM 0 HA LYS A 63 -19.164 6.439 6.976 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -17.049 7.702 6.260 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -17.227 6.914 4.705 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -19.375 8.671 5.932 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -18.114 9.283 4.880 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -18.923 7.814 3.050 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -20.181 7.194 4.101 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -21.134 9.458 4.367 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -19.823 10.152 3.434 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -21.802 9.899 2.110 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -20.568 8.901 1.507 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -21.838 8.228 2.411 1.00 9.36 H new ATOM 952 N CYS A 64 -18.402 4.189 4.756 1.00 5.90 N ATOM 953 CA CYS A 64 -18.905 3.137 3.937 1.00 5.63 C ATOM 954 C CYS A 64 -19.718 2.155 4.795 1.00 5.60 C ATOM 955 O CYS A 64 -20.779 1.714 4.382 1.00 5.71 O ATOM 956 CB CYS A 64 -17.738 2.412 3.278 1.00 4.97 C ATOM 957 SG CYS A 64 -16.694 3.465 2.241 1.00 4.95 S ATOM 0 H CYS A 64 -17.390 4.164 4.880 1.00 5.90 H new ATOM 0 HA CYS A 64 -19.554 3.552 3.166 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -17.121 1.961 4.055 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -18.129 1.597 2.669 1.00 4.97 H new ATOM 0 HG CYS A 64 -16.045 4.305 2.991 1.00 4.95 H new ATOM 963 N ARG A 65 -19.216 1.855 6.006 1.00 5.62 N ATOM 964 CA ARG A 65 -19.842 0.904 6.919 1.00 5.84 C ATOM 965 C ARG A 65 -21.238 1.324 7.306 1.00 6.60 C ATOM 966 O ARG A 65 -22.170 0.538 7.168 1.00 6.69 O ATOM 967 CB ARG A 65 -18.997 0.644 8.181 1.00 5.99 C ATOM 968 CG ARG A 65 -17.648 -0.003 7.912 1.00 5.98 C ATOM 969 CD ARG A 65 -16.898 -0.293 9.193 1.00 6.32 C ATOM 970 NE ARG A 65 -15.576 -0.888 8.949 1.00 6.70 N ATOM 971 CZ ARG A 65 -14.825 -1.507 9.869 1.00 7.13 C ATOM 972 NH1 ARG A 65 -15.259 -1.629 11.121 1.00 7.25 N ATOM 973 NH2 ARG A 65 -13.643 -1.986 9.520 1.00 7.69 N ATOM 0 H ARG A 65 -18.360 2.272 6.373 1.00 5.62 H new ATOM 0 HA ARG A 65 -19.906 -0.033 6.365 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -18.836 1.591 8.697 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -19.564 0.005 8.858 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -17.794 -0.931 7.358 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -17.049 0.654 7.281 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -16.778 0.632 9.757 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -17.489 -0.969 9.811 1.00 6.32 H new ATOM 0 HE ARG A 65 -15.200 -0.824 8.003 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -16.169 -1.250 11.385 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -14.682 -2.102 11.817 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -13.314 -1.882 8.560 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -13.061 -2.460 10.211 1.00 7.69 H new ATOM 987 N GLU A 66 -21.407 2.567 7.749 1.00 7.20 N ATOM 988 CA GLU A 66 -22.732 3.038 8.154 1.00 8.03 C ATOM 989 C GLU A 66 -23.697 3.013 6.973 1.00 8.03 C ATOM 990 O GLU A 66 -24.892 2.737 7.128 1.00 8.42 O ATOM 991 CB GLU A 66 -22.695 4.436 8.791 1.00 8.67 C ATOM 992 CG GLU A 66 -22.195 5.539 7.876 1.00 8.45 C ATOM 993 CD GLU A 66 -22.260 6.896 8.524 1.00 9.17 C ATOM 994 OE1 GLU A 66 -23.376 7.506 8.542 1.00 9.78 O ATOM 995 OE2 GLU A 66 -21.236 7.365 9.018 1.00 9.24 O ATOM 0 H GLU A 66 -20.660 3.256 7.837 1.00 7.20 H new ATOM 0 HA GLU A 66 -23.089 2.350 8.920 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -23.699 4.692 9.131 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -22.059 4.400 9.675 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -21.166 5.327 7.585 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -22.789 5.547 6.962 1.00 8.45 H new ATOM 1002 N HIS A 67 -23.176 3.279 5.794 1.00 7.64 N ATOM 1003 CA HIS A 67 -23.986 3.259 4.598 1.00 7.74 C ATOM 1004 C HIS A 67 -24.294 1.813 4.166 1.00 7.19 C ATOM 1005 O HIS A 67 -25.362 1.534 3.607 1.00 7.42 O ATOM 1006 CB HIS A 67 -23.305 4.066 3.484 1.00 7.65 C ATOM 1007 CG HIS A 67 -24.096 4.161 2.212 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -24.923 5.211 1.919 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -24.147 3.336 1.152 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -25.455 5.027 0.730 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -24.997 3.894 0.245 1.00 8.28 N ATOM 0 H HIS A 67 -22.195 3.511 5.640 1.00 7.64 H new ATOM 0 HA HIS A 67 -24.944 3.734 4.810 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -23.108 5.073 3.851 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -22.339 3.613 3.263 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -23.613 2.404 1.040 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -26.149 5.692 0.237 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -25.239 3.497 -0.663 1.00 8.28 H new ATOM 1020 N ALA A 68 -23.375 0.911 4.432 1.00 6.53 N ATOM 1021 CA ALA A 68 -23.553 -0.493 4.093 1.00 6.01 C ATOM 1022 C ALA A 68 -24.528 -1.114 5.022 1.00 6.43 C ATOM 1023 O ALA A 68 -25.421 -1.803 4.594 1.00 6.43 O ATOM 1024 CB ALA A 68 -22.237 -1.235 4.127 1.00 5.28 C ATOM 0 H ALA A 68 -22.487 1.123 4.886 1.00 6.53 H new ATOM 0 HA ALA A 68 -23.940 -0.556 3.076 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -22.402 -2.281 3.869 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -21.549 -0.789 3.409 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -21.809 -1.171 5.127 1.00 5.28 H new ATOM 1030 N GLU A 69 -24.378 -0.828 6.297 1.00 6.88 N ATOM 1031 CA GLU A 69 -25.270 -1.344 7.316 1.00 7.44 C ATOM 1032 C GLU A 69 -26.657 -0.664 7.240 1.00 8.10 C ATOM 1033 O GLU A 69 -27.606 -1.077 7.905 1.00 8.50 O ATOM 1034 CB GLU A 69 -24.611 -1.231 8.694 1.00 7.93 C ATOM 1035 CG GLU A 69 -23.348 -2.074 8.805 1.00 7.64 C ATOM 1036 CD GLU A 69 -22.584 -1.869 10.096 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -23.114 -2.210 11.170 1.00 7.78 O ATOM 1038 OE2 GLU A 69 -21.413 -1.416 10.046 1.00 7.77 O ATOM 0 H GLU A 69 -23.634 -0.231 6.658 1.00 6.88 H new ATOM 0 HA GLU A 69 -25.452 -2.404 7.136 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -24.366 -0.187 8.892 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -25.321 -1.543 9.460 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -23.617 -3.127 8.717 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -22.693 -1.841 7.966 1.00 7.64 H new ATOM 1045 N ALA A 70 -26.753 0.354 6.398 1.00 8.29 N ATOM 1046 CA ALA A 70 -28.021 1.019 6.085 1.00 8.98 C ATOM 1047 C ALA A 70 -28.763 0.239 4.984 1.00 8.74 C ATOM 1048 O ALA A 70 -29.916 -0.149 5.147 1.00 9.31 O ATOM 1049 CB ALA A 70 -27.749 2.437 5.594 1.00 9.41 C ATOM 0 H ALA A 70 -25.951 0.749 5.906 1.00 8.29 H new ATOM 0 HA ALA A 70 -28.635 1.052 6.985 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -28.693 2.929 5.362 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -27.229 2.998 6.371 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -27.130 2.399 4.698 1.00 9.41 H new ATOM 1055 N LYS A 71 -28.073 0.016 3.872 1.00 7.94 N ATOM 1056 CA LYS A 71 -28.636 -0.658 2.704 1.00 7.72 C ATOM 1057 C LYS A 71 -28.464 -2.162 2.802 1.00 7.00 C ATOM 1058 O LYS A 71 -29.389 -2.881 3.157 1.00 7.10 O ATOM 1059 CB LYS A 71 -27.931 -0.159 1.431 1.00 7.70 C ATOM 1060 CG LYS A 71 -28.138 1.316 1.118 1.00 8.55 C ATOM 1061 CD LYS A 71 -29.527 1.616 0.547 1.00 9.28 C ATOM 1062 CE LYS A 71 -29.753 0.953 -0.835 1.00 10.04 C ATOM 1063 NZ LYS A 71 -28.765 1.407 -1.863 1.00 10.32 N ATOM 0 H LYS A 71 -27.100 0.299 3.753 1.00 7.94 H new ATOM 0 HA LYS A 71 -29.701 -0.429 2.664 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -26.862 -0.348 1.528 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -28.283 -0.748 0.584 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -27.991 1.899 2.027 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -27.380 1.641 0.405 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -30.287 1.264 1.244 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -29.654 2.695 0.455 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -29.688 -0.130 -0.729 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -30.761 1.180 -1.181 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -29.251 1.556 -2.770 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -28.328 2.299 -1.554 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -28.028 0.683 -1.980 1.00 10.32 H new ATOM 1077 N HIS A 72 -27.239 -2.604 2.518 1.00 6.33 N ATOM 1078 CA HIS A 72 -26.831 -4.014 2.483 1.00 5.62 C ATOM 1079 C HIS A 72 -27.841 -4.964 1.847 1.00 5.65 C ATOM 1080 O HIS A 72 -28.393 -5.824 2.514 1.00 5.60 O ATOM 1081 CB HIS A 72 -26.289 -4.545 3.838 1.00 5.47 C ATOM 1082 CG HIS A 72 -27.268 -4.509 5.018 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -27.606 -3.508 5.861 1.00 6.44 N flip ATOM 1084 CD2 HIS A 72 -27.990 -5.607 5.443 1.00 6.81 C flip ATOM 1085 CE1 HIS A 72 -28.502 -4.011 6.763 1.00 7.21 C flip ATOM 1086 NE2 HIS A 72 -28.717 -5.280 6.490 1.00 7.47 N flip ATOM 0 H HIS A 72 -26.473 -1.968 2.297 1.00 6.33 H new ATOM 0 HA HIS A 72 -25.985 -4.008 1.796 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -25.961 -5.575 3.696 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -25.407 -3.963 4.106 1.00 5.47 H new ATOM 0 HD2 HIS A 72 -27.962 -6.585 4.986 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -28.959 -3.456 7.569 1.00 7.21 H new ATOM 0 HE2 HIS A 72 -29.341 -5.904 7.002 1.00 7.47 H new ATOM 1095 N PRO A 73 -28.135 -4.802 0.547 1.00 5.90 N ATOM 1096 CA PRO A 73 -29.018 -5.705 -0.126 1.00 6.06 C ATOM 1097 C PRO A 73 -28.294 -6.942 -0.588 1.00 5.49 C ATOM 1098 O PRO A 73 -28.609 -8.051 -0.161 1.00 5.49 O ATOM 1099 CB PRO A 73 -29.589 -4.898 -1.298 1.00 6.60 C ATOM 1100 CG PRO A 73 -28.620 -3.767 -1.529 1.00 6.81 C ATOM 1101 CD PRO A 73 -27.672 -3.718 -0.332 1.00 6.21 C ATOM 0 HA PRO A 73 -29.809 -6.071 0.529 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -29.686 -5.518 -2.189 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -30.584 -4.519 -1.064 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -28.063 -3.923 -2.453 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -29.153 -2.822 -1.634 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -26.637 -3.870 -0.639 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -27.717 -2.752 0.171 1.00 6.21 H new ATOM 1109 N LYS A 74 -27.327 -6.758 -1.434 1.00 5.12 N ATOM 1110 CA LYS A 74 -26.561 -7.835 -1.927 1.00 4.75 C ATOM 1111 C LYS A 74 -25.272 -7.274 -2.492 1.00 4.46 C ATOM 1112 O LYS A 74 -25.281 -6.372 -3.324 1.00 4.75 O ATOM 1113 CB LYS A 74 -27.367 -8.649 -2.978 1.00 5.23 C ATOM 1114 CG LYS A 74 -27.600 -7.944 -4.300 1.00 5.74 C ATOM 1115 CD LYS A 74 -28.690 -8.610 -5.120 1.00 6.36 C ATOM 1116 CE LYS A 74 -28.702 -8.109 -6.559 1.00 6.91 C ATOM 1117 NZ LYS A 74 -28.441 -6.652 -6.658 1.00 7.32 N ATOM 0 H LYS A 74 -27.054 -5.845 -1.798 1.00 5.12 H new ATOM 0 HA LYS A 74 -26.320 -8.534 -1.126 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -26.841 -9.584 -3.171 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -28.334 -8.910 -2.548 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -27.872 -6.905 -4.113 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -26.672 -7.933 -4.872 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -28.542 -9.690 -5.112 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -29.659 -8.418 -4.660 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -27.950 -8.649 -7.134 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -29.669 -8.333 -7.010 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -28.902 -6.274 -7.510 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -28.821 -6.173 -5.817 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -27.416 -6.486 -6.717 1.00 7.32 H new ATOM 1131 N ALA A 75 -24.189 -7.708 -1.951 1.00 4.19 N ATOM 1132 CA ALA A 75 -22.887 -7.327 -2.475 1.00 4.02 C ATOM 1133 C ALA A 75 -22.644 -8.085 -3.806 1.00 4.43 C ATOM 1134 O ALA A 75 -22.350 -9.286 -3.796 1.00 4.52 O ATOM 1135 CB ALA A 75 -21.781 -7.601 -1.443 1.00 3.36 C ATOM 0 H ALA A 75 -24.159 -8.330 -1.143 1.00 4.19 H new ATOM 0 HA ALA A 75 -22.865 -6.256 -2.675 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -20.816 -7.308 -1.857 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -21.977 -7.026 -0.538 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -21.764 -8.664 -1.201 1.00 3.36 H new ATOM 1141 N ASP A 76 -22.849 -7.392 -4.933 1.00 5.01 N ATOM 1142 CA ASP A 76 -22.715 -8.005 -6.289 1.00 5.63 C ATOM 1143 C ASP A 76 -21.348 -7.763 -6.864 1.00 5.81 C ATOM 1144 O ASP A 76 -20.417 -8.498 -6.613 1.00 5.63 O ATOM 1145 CB ASP A 76 -23.727 -7.437 -7.294 1.00 6.39 C ATOM 1146 CG ASP A 76 -25.154 -7.670 -6.964 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -25.616 -8.807 -7.122 1.00 6.80 O ATOM 1148 OD2 ASP A 76 -25.826 -6.722 -6.512 1.00 6.82 O ATOM 0 H ASP A 76 -23.109 -6.406 -4.948 1.00 5.01 H new ATOM 0 HA ASP A 76 -22.897 -9.070 -6.142 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -23.563 -6.363 -7.381 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -23.523 -7.871 -8.273 1.00 6.39 H new ATOM 1153 N VAL A 77 -21.216 -6.676 -7.614 1.00 6.30 N ATOM 1154 CA VAL A 77 -19.941 -6.291 -8.155 1.00 6.58 C ATOM 1155 C VAL A 77 -19.154 -5.606 -7.063 1.00 5.93 C ATOM 1156 O VAL A 77 -17.958 -5.414 -7.150 1.00 6.00 O ATOM 1157 CB VAL A 77 -20.071 -5.372 -9.406 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -20.799 -6.100 -10.532 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -20.778 -4.056 -9.069 1.00 7.55 C ATOM 0 H VAL A 77 -21.985 -6.051 -7.856 1.00 6.30 H new ATOM 0 HA VAL A 77 -19.422 -7.187 -8.497 1.00 6.58 H new ATOM 0 HB VAL A 77 -19.063 -5.127 -9.742 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -20.880 -5.442 -11.397 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -20.241 -6.995 -10.807 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -21.797 -6.384 -10.197 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -20.850 -3.441 -9.966 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -21.779 -4.267 -8.692 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -20.209 -3.522 -8.308 1.00 7.55 H new ATOM 1169 N VAL A 78 -19.862 -5.261 -6.012 1.00 5.38 N ATOM 1170 CA VAL A 78 -19.264 -4.674 -4.862 1.00 4.74 C ATOM 1171 C VAL A 78 -18.924 -5.788 -3.865 1.00 4.00 C ATOM 1172 O VAL A 78 -18.544 -5.528 -2.764 1.00 3.42 O ATOM 1173 CB VAL A 78 -20.194 -3.602 -4.193 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -20.649 -2.550 -5.197 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -21.379 -4.228 -3.469 1.00 4.70 C ATOM 0 H VAL A 78 -20.872 -5.385 -5.942 1.00 5.38 H new ATOM 0 HA VAL A 78 -18.358 -4.152 -5.169 1.00 4.74 H new ATOM 0 HB VAL A 78 -19.593 -3.100 -3.435 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -21.291 -1.824 -4.698 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -19.778 -2.040 -5.610 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -21.203 -3.032 -6.003 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -21.990 -3.442 -3.024 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -21.980 -4.797 -4.179 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -21.016 -4.893 -2.685 1.00 4.70 H new ATOM 1185 N ALA A 79 -19.050 -7.055 -4.300 1.00 4.18 N ATOM 1186 CA ALA A 79 -18.725 -8.213 -3.436 1.00 3.76 C ATOM 1187 C ALA A 79 -17.219 -8.316 -3.172 1.00 3.69 C ATOM 1188 O ALA A 79 -16.764 -9.118 -2.324 1.00 3.56 O ATOM 1189 CB ALA A 79 -19.247 -9.496 -4.034 1.00 4.24 C ATOM 0 H ALA A 79 -19.371 -7.306 -5.235 1.00 4.18 H new ATOM 0 HA ALA A 79 -19.220 -8.052 -2.478 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -18.995 -10.331 -3.380 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -20.330 -9.433 -4.142 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -18.794 -9.652 -5.013 1.00 4.24 H new ATOM 1195 N CYS A 80 -16.451 -7.532 -3.917 1.00 4.00 N ATOM 1196 CA CYS A 80 -15.027 -7.430 -3.720 1.00 4.07 C ATOM 1197 C CYS A 80 -14.750 -6.491 -2.547 1.00 3.33 C ATOM 1198 O CYS A 80 -13.715 -6.583 -1.894 1.00 3.38 O ATOM 1199 CB CYS A 80 -14.392 -6.909 -4.994 1.00 4.73 C ATOM 1200 SG CYS A 80 -14.730 -7.943 -6.441 1.00 5.60 S ATOM 0 H CYS A 80 -16.808 -6.950 -4.675 1.00 4.00 H new ATOM 0 HA CYS A 80 -14.600 -8.406 -3.490 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -14.755 -5.899 -5.185 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -13.314 -6.838 -4.851 1.00 4.73 H new ATOM 0 HG CYS A 80 -14.155 -7.428 -7.487 1.00 5.60 H new ATOM 1206 N PHE A 81 -15.720 -5.619 -2.281 1.00 2.86 N ATOM 1207 CA PHE A 81 -15.685 -4.658 -1.202 1.00 2.27 C ATOM 1208 C PHE A 81 -17.079 -4.514 -0.527 1.00 2.17 C ATOM 1209 O PHE A 81 -17.734 -3.484 -0.616 1.00 2.52 O ATOM 1210 CB PHE A 81 -15.087 -3.303 -1.673 1.00 2.41 C ATOM 1211 CG PHE A 81 -15.466 -2.871 -3.078 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -16.683 -2.288 -3.353 1.00 3.50 C ATOM 1213 CD2 PHE A 81 -14.569 -3.049 -4.118 1.00 3.67 C ATOM 1214 CE1 PHE A 81 -17.002 -1.886 -4.627 1.00 4.57 C ATOM 1215 CE2 PHE A 81 -14.885 -2.660 -5.400 1.00 4.68 C ATOM 1216 CZ PHE A 81 -16.099 -2.070 -5.654 1.00 5.13 C ATOM 0 H PHE A 81 -16.576 -5.567 -2.833 1.00 2.86 H new ATOM 0 HA PHE A 81 -15.013 -5.034 -0.430 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -15.401 -2.526 -0.976 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -14.000 -3.365 -1.612 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -17.397 -2.145 -2.555 1.00 3.50 H new ATOM 0 HD2 PHE A 81 -13.608 -3.500 -3.920 1.00 3.67 H new ATOM 0 HE1 PHE A 81 -17.959 -1.426 -4.825 1.00 4.57 H new ATOM 0 HE2 PHE A 81 -14.181 -2.818 -6.203 1.00 4.68 H new ATOM 0 HZ PHE A 81 -16.346 -1.751 -6.656 1.00 5.13 H new ATOM 1226 N PRO A 82 -17.550 -5.591 0.169 1.00 2.09 N ATOM 1227 CA PRO A 82 -18.906 -5.651 0.775 1.00 2.39 C ATOM 1228 C PRO A 82 -19.099 -4.707 1.965 1.00 2.74 C ATOM 1229 O PRO A 82 -20.104 -4.769 2.654 1.00 3.27 O ATOM 1230 CB PRO A 82 -19.012 -7.109 1.270 1.00 2.47 C ATOM 1231 CG PRO A 82 -17.908 -7.842 0.594 1.00 2.41 C ATOM 1232 CD PRO A 82 -16.814 -6.842 0.398 1.00 2.19 C ATOM 0 HA PRO A 82 -19.661 -5.348 0.049 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -18.912 -7.163 2.354 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -19.981 -7.539 1.017 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -17.567 -8.681 1.201 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -18.238 -8.252 -0.360 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -16.166 -6.775 1.272 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -16.179 -7.098 -0.450 1.00 2.19 H new ATOM 1240 N HIS A 83 -18.134 -3.860 2.223 1.00 2.68 N ATOM 1241 CA HIS A 83 -18.267 -2.890 3.307 1.00 3.26 C ATOM 1242 C HIS A 83 -18.870 -1.621 2.764 1.00 3.66 C ATOM 1243 O HIS A 83 -19.187 -0.720 3.494 1.00 4.25 O ATOM 1244 CB HIS A 83 -16.922 -2.577 3.988 1.00 3.25 C ATOM 1245 CG HIS A 83 -16.263 -3.724 4.676 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -14.910 -3.794 4.902 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -16.777 -4.832 5.200 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -14.626 -4.893 5.533 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -15.742 -5.555 5.737 1.00 4.19 N ATOM 0 H HIS A 83 -17.254 -3.813 1.710 1.00 2.68 H new ATOM 0 HA HIS A 83 -18.915 -3.329 4.066 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -16.237 -2.186 3.235 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -17.081 -1.783 4.717 1.00 3.25 H new ATOM 0 HD1 HIS A 83 -14.230 -3.089 4.617 1.00 3.86 H new ATOM 0 HD2 HIS A 83 -17.820 -5.112 5.203 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -13.639 -5.209 5.838 1.00 4.24 H new ATOM 1258 N LEU A 84 -19.003 -1.587 1.469 1.00 3.56 N ATOM 1259 CA LEU A 84 -19.584 -0.500 0.763 1.00 4.20 C ATOM 1260 C LEU A 84 -20.585 -1.011 -0.266 1.00 4.81 C ATOM 1261 O LEU A 84 -20.604 -0.555 -1.407 1.00 5.47 O ATOM 1262 CB LEU A 84 -18.494 0.395 0.120 1.00 4.05 C ATOM 1263 CG LEU A 84 -17.225 -0.296 -0.408 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -16.564 0.578 -1.455 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -16.218 -0.482 0.747 1.00 3.49 C ATOM 0 H LEU A 84 -18.696 -2.347 0.861 1.00 3.56 H new ATOM 0 HA LEU A 84 -20.128 0.125 1.471 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -18.950 0.938 -0.708 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -18.190 1.137 0.858 1.00 4.05 H new ATOM 0 HG LEU A 84 -17.505 -1.259 -0.834 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -15.666 0.085 -1.826 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -17.256 0.742 -2.281 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -16.295 1.537 -1.011 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -15.320 -0.972 0.371 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -15.955 0.492 1.160 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -16.668 -1.097 1.526 1.00 3.49 H new ATOM 1277 N LYS A 85 -21.438 -1.969 0.185 1.00 4.68 N ATOM 1278 CA LYS A 85 -22.513 -2.557 -0.597 1.00 5.28 C ATOM 1279 C LYS A 85 -23.372 -1.523 -1.426 1.00 6.06 C ATOM 1280 O LYS A 85 -23.977 -1.915 -2.411 1.00 6.40 O ATOM 1281 CB LYS A 85 -23.394 -3.426 0.308 1.00 5.04 C ATOM 1282 CG LYS A 85 -22.661 -4.622 0.925 1.00 5.59 C ATOM 1283 CD LYS A 85 -23.573 -5.508 1.785 1.00 6.41 C ATOM 1284 CE LYS A 85 -22.804 -6.700 2.368 1.00 7.19 C ATOM 1285 NZ LYS A 85 -23.652 -7.566 3.217 1.00 8.04 N ATOM 0 H LYS A 85 -21.379 -2.350 1.129 1.00 4.68 H new ATOM 0 HA LYS A 85 -22.036 -3.177 -1.356 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -23.797 -2.807 1.109 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -24.243 -3.791 -0.270 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -22.226 -5.225 0.128 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -21.835 -4.258 1.537 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -23.999 -4.916 2.595 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -24.406 -5.870 1.182 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -22.388 -7.292 1.553 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -21.963 -6.332 2.956 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -23.083 -8.355 3.585 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -24.029 -7.011 4.012 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -24.440 -7.941 2.652 1.00 8.04 H new ATOM 1299 N LYS A 86 -23.434 -0.247 -0.969 1.00 6.60 N ATOM 1300 CA LYS A 86 -24.037 0.881 -1.746 1.00 7.50 C ATOM 1301 C LYS A 86 -25.565 0.972 -1.633 1.00 8.13 C ATOM 1302 O LYS A 86 -26.292 0.197 -2.243 1.00 8.62 O ATOM 1303 CB LYS A 86 -23.529 0.912 -3.225 1.00 8.04 C ATOM 1304 CG LYS A 86 -23.937 2.137 -4.056 1.00 8.96 C ATOM 1305 CD LYS A 86 -23.385 3.427 -3.458 1.00 9.74 C ATOM 1306 CE LYS A 86 -23.650 4.645 -4.347 1.00 10.66 C ATOM 1307 NZ LYS A 86 -22.946 4.574 -5.662 1.00 11.10 N ATOM 1308 OXT LYS A 86 -26.035 1.886 -0.945 1.00 8.37 O ATOM 0 H LYS A 86 -23.072 0.035 -0.058 1.00 6.60 H new ATOM 0 HA LYS A 86 -23.675 1.792 -1.270 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -22.441 0.852 -3.215 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -23.893 0.018 -3.731 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -23.573 2.023 -5.077 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -25.024 2.196 -4.110 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -23.834 3.591 -2.479 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -22.311 3.321 -3.302 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -24.722 4.735 -4.520 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -23.335 5.547 -3.821 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -23.023 5.491 -6.147 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -21.943 4.348 -5.507 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -23.381 3.834 -6.249 1.00 11.10 H new TER 1322 LYS A 86