USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 938 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 101 LYS NZ :NH3+ -176:sc= -1.64! (180deg=-0.0291) USER MOD Set 1.2: A 114 GLN : amide:sc= -2.29! C(o=-3.9!,f=-11!) USER MOD Set 2.1: A 75 ASN : amide:sc= -1.27 X(o=-0.89,f=-0.63) USER MOD Set 2.2: A 92 ASN : amide:sc= 0.377 X(o=-0.89,f=-0.63) USER MOD Set 3.1: A 44 MET CE :methyl -109:sc= -1 (180deg=-4.42!) USER MOD Set 3.2: A 57 TYR OH : rot -0:sc= 0.0691 USER MOD Set 4.1: A 31 ASN : amide:sc= 0.388 K(o=0.81,f=-0.00066) USER MOD Set 4.2: A 33 SER OG : rot -114:sc= 0.419 USER MOD Set 5.1: A 11 MET CE :methyl -128:sc= -0.317 (180deg=-0.802) USER MOD Set 5.2: A 37 GLN : amide:sc= 0.421 K(o=0.1,f=-1.8) USER MOD Set 6.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 58 THR OG1 : rot 180:sc= -0.0515 USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0555) USER MOD Single : A 3 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.43) USER MOD Single : A 4 HIS : no HD1:sc=-0.00135 X(o=-0.0014,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.206 K(o=0.21,f=-2.9!) USER MOD Single : A 7 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.0086) USER MOD Single : A 8 HIS : no HE2:sc= 1.24 K(o=1.2,f=-5.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.15) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -143:sc= -1.54 (180deg=-5.02!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 52 SER OG : rot 34:sc= 0.631 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 49:sc= 0.0548 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -62:sc= 0.546 USER MOD Single : A 61 TYR OH : rot 76:sc= -0.19 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0.724 (180deg=0.52) USER MOD Single : A 67 GLN : amide:sc= -2.02! K(o=-2!,f=-0.99) USER MOD Single : A 68 THR OG1 : rot -130:sc= 0 USER MOD Single : A 70 THR OG1 : rot -109:sc= 1.51 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -140:sc= -1.46 USER MOD Single : A 84 THR OG1 : rot 112:sc= 0.963 USER MOD Single : A 89 LYS NZ :NH3+ -166:sc= -0.0235 (180deg=-0.248) USER MOD Single : A 90 ASN : amide:sc= -0.716 K(o=-0.72,f=-0.013) USER MOD Single : A 91 GLN : amide:sc= -2.91! C(o=-2.9!,f=-19!) USER MOD Single : A 93 SER OG : rot 39:sc= 0.644 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= 0.896 (180deg=0.188) USER MOD Single : A 106 ASN : amide:sc= -1.4 K(o=-1.4,f=-7.7!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0.548 K(o=0.55,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 171:sc= -0.01 (180deg=-0.118) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00146 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.281 -5.405 -12.990 1.00 12.50 N ATOM 2 CA MET A 1 -11.991 -6.670 -13.716 1.00 25.30 C ATOM 3 C MET A 1 -13.185 -7.631 -13.648 1.00 73.41 C ATOM 4 O MET A 1 -13.322 -8.392 -12.694 1.00 64.32 O ATOM 5 CB MET A 1 -10.739 -7.346 -13.137 1.00 74.35 C ATOM 6 CG MET A 1 -9.460 -6.551 -13.347 1.00 51.54 C ATOM 7 SD MET A 1 -9.113 -6.268 -15.094 1.00 13.24 S ATOM 8 CE MET A 1 -7.603 -5.308 -14.994 1.00 3.51 C ATOM 0 H1 MET A 1 -11.492 -4.740 -13.122 1.00 12.50 H new ATOM 0 H2 MET A 1 -13.156 -4.983 -13.363 1.00 12.50 H new ATOM 0 H3 MET A 1 -12.398 -5.606 -11.976 1.00 12.50 H new ATOM 0 HA MET A 1 -11.809 -6.422 -14.762 1.00 25.30 H new ATOM 0 HB2 MET A 1 -10.885 -7.506 -12.069 1.00 74.35 H new ATOM 0 HB3 MET A 1 -10.624 -8.329 -13.594 1.00 74.35 H new ATOM 0 HG2 MET A 1 -9.542 -5.592 -12.835 1.00 51.54 H new ATOM 0 HG3 MET A 1 -8.624 -7.084 -12.894 1.00 51.54 H new ATOM 0 HE1 MET A 1 -7.264 -5.057 -15.999 1.00 3.51 H new ATOM 0 HE2 MET A 1 -7.791 -4.392 -14.434 1.00 3.51 H new ATOM 0 HE3 MET A 1 -6.834 -5.891 -14.487 1.00 3.51 H new ATOM 20 N GLY A 2 -14.057 -7.573 -14.655 1.00 45.33 N ATOM 21 CA GLY A 2 -15.233 -8.438 -14.698 1.00 41.31 C ATOM 22 C GLY A 2 -16.251 -8.120 -13.604 1.00 5.24 C ATOM 23 O GLY A 2 -16.360 -8.851 -12.618 1.00 62.54 O ATOM 0 H GLY A 2 -13.971 -6.938 -15.449 1.00 45.33 H new ATOM 0 HA2 GLY A 2 -15.713 -8.341 -15.672 1.00 41.31 H new ATOM 0 HA3 GLY A 2 -14.917 -9.477 -14.601 1.00 41.31 H new ATOM 27 N HIS A 3 -17.004 -7.035 -13.782 1.00 14.21 N ATOM 28 CA HIS A 3 -17.984 -6.597 -12.777 1.00 0.05 C ATOM 29 C HIS A 3 -19.120 -7.622 -12.613 1.00 64.42 C ATOM 30 O HIS A 3 -19.427 -8.054 -11.501 1.00 23.24 O ATOM 31 CB HIS A 3 -18.566 -5.233 -13.165 1.00 1.01 C ATOM 32 CG HIS A 3 -19.345 -4.579 -12.064 1.00 20.33 C ATOM 33 ND1 HIS A 3 -20.633 -4.938 -11.732 1.00 64.32 N ATOM 34 CD2 HIS A 3 -19.007 -3.587 -11.210 1.00 0.12 C ATOM 35 CE1 HIS A 3 -21.052 -4.197 -10.727 1.00 72.34 C ATOM 36 NE2 HIS A 3 -20.086 -3.369 -10.390 1.00 14.32 N ATOM 0 H HIS A 3 -16.958 -6.441 -14.610 1.00 14.21 H new ATOM 0 HA HIS A 3 -17.465 -6.512 -11.822 1.00 0.05 H new ATOM 0 HB2 HIS A 3 -17.753 -4.572 -13.466 1.00 1.01 H new ATOM 0 HB3 HIS A 3 -19.213 -5.357 -14.033 1.00 1.01 H new ATOM 0 HD2 HIS A 3 -18.063 -3.063 -11.179 1.00 0.12 H new ATOM 0 HE1 HIS A 3 -22.023 -4.258 -10.259 1.00 72.34 H new ATOM 0 HE2 HIS A 3 -20.132 -2.678 -9.641 1.00 14.32 H new ATOM 45 N HIS A 4 -19.754 -7.985 -13.726 1.00 31.32 N ATOM 46 CA HIS A 4 -20.806 -9.010 -13.725 1.00 45.53 C ATOM 47 C HIS A 4 -20.209 -10.396 -14.005 1.00 71.01 C ATOM 48 O HIS A 4 -20.763 -11.420 -13.605 1.00 33.41 O ATOM 49 CB HIS A 4 -21.871 -8.674 -14.779 1.00 74.21 C ATOM 50 CG HIS A 4 -23.064 -9.588 -14.748 1.00 52.03 C ATOM 51 ND1 HIS A 4 -24.217 -9.293 -14.055 1.00 30.33 N ATOM 52 CD2 HIS A 4 -23.278 -10.794 -15.327 1.00 42.11 C ATOM 53 CE1 HIS A 4 -25.084 -10.272 -14.205 1.00 10.15 C ATOM 54 NE2 HIS A 4 -24.542 -11.195 -14.972 1.00 5.13 N ATOM 0 H HIS A 4 -19.560 -7.586 -14.644 1.00 31.32 H new ATOM 0 HA HIS A 4 -21.272 -9.025 -12.740 1.00 45.53 H new ATOM 0 HB2 HIS A 4 -22.207 -7.648 -14.628 1.00 74.21 H new ATOM 0 HB3 HIS A 4 -21.416 -8.719 -15.769 1.00 74.21 H new ATOM 0 HD2 HIS A 4 -22.584 -11.338 -15.951 1.00 42.11 H new ATOM 0 HE1 HIS A 4 -26.073 -10.312 -13.772 1.00 10.15 H new ATOM 0 HE2 HIS A 4 -24.989 -12.067 -15.256 1.00 5.13 H new ATOM 63 N HIS A 5 -19.072 -10.408 -14.699 1.00 31.10 N ATOM 64 CA HIS A 5 -18.377 -11.650 -15.054 1.00 21.03 C ATOM 65 C HIS A 5 -17.866 -12.374 -13.792 1.00 10.15 C ATOM 66 O HIS A 5 -17.582 -13.573 -13.815 1.00 32.13 O ATOM 67 CB HIS A 5 -17.215 -11.329 -16.005 1.00 64.11 C ATOM 68 CG HIS A 5 -16.878 -12.435 -16.960 1.00 53.45 C ATOM 69 ND1 HIS A 5 -17.520 -12.593 -18.168 1.00 51.43 N ATOM 70 CD2 HIS A 5 -15.955 -13.427 -16.899 1.00 51.24 C ATOM 71 CE1 HIS A 5 -17.009 -13.623 -18.806 1.00 43.53 C ATOM 72 NE2 HIS A 5 -16.060 -14.147 -18.062 1.00 41.14 N ATOM 0 H HIS A 5 -18.606 -9.563 -15.031 1.00 31.10 H new ATOM 0 HA HIS A 5 -19.077 -12.318 -15.556 1.00 21.03 H new ATOM 0 HB2 HIS A 5 -17.464 -10.435 -16.576 1.00 64.11 H new ATOM 0 HB3 HIS A 5 -16.331 -11.093 -15.413 1.00 64.11 H new ATOM 0 HD2 HIS A 5 -15.267 -13.615 -16.088 1.00 51.24 H new ATOM 0 HE1 HIS A 5 -17.317 -13.979 -19.778 1.00 43.53 H new ATOM 0 HE2 HIS A 5 -15.493 -14.958 -18.310 1.00 41.14 H new ATOM 81 N HIS A 6 -17.735 -11.623 -12.697 1.00 4.44 N ATOM 82 CA HIS A 6 -17.403 -12.194 -11.387 1.00 44.13 C ATOM 83 C HIS A 6 -18.588 -12.077 -10.418 1.00 40.03 C ATOM 84 O HIS A 6 -19.235 -11.033 -10.323 1.00 61.21 O ATOM 85 CB HIS A 6 -16.181 -11.500 -10.773 1.00 22.31 C ATOM 86 CG HIS A 6 -14.893 -11.791 -11.478 1.00 24.24 C ATOM 87 ND1 HIS A 6 -13.994 -10.812 -11.838 1.00 72.03 N ATOM 88 CD2 HIS A 6 -14.339 -12.964 -11.865 1.00 40.23 C ATOM 89 CE1 HIS A 6 -12.949 -11.366 -12.416 1.00 24.13 C ATOM 90 NE2 HIS A 6 -13.130 -12.671 -12.447 1.00 3.23 N ATOM 0 H HIS A 6 -17.855 -10.610 -12.691 1.00 4.44 H new ATOM 0 HA HIS A 6 -17.172 -13.247 -11.546 1.00 44.13 H new ATOM 0 HB2 HIS A 6 -16.349 -10.423 -10.776 1.00 22.31 H new ATOM 0 HB3 HIS A 6 -16.089 -11.805 -9.731 1.00 22.31 H new ATOM 0 HD1 HIS A 6 -14.119 -9.812 -11.681 1.00 72.03 H new ATOM 0 HD2 HIS A 6 -14.768 -13.947 -11.739 1.00 40.23 H new ATOM 0 HE1 HIS A 6 -12.088 -10.839 -12.800 1.00 24.13 H new ATOM 99 N HIS A 7 -18.860 -13.160 -9.700 1.00 31.34 N ATOM 100 CA HIS A 7 -19.917 -13.177 -8.683 1.00 5.53 C ATOM 101 C HIS A 7 -19.600 -14.197 -7.578 1.00 12.15 C ATOM 102 O HIS A 7 -19.864 -15.392 -7.716 1.00 51.43 O ATOM 103 CB HIS A 7 -21.294 -13.447 -9.322 1.00 21.24 C ATOM 104 CG HIS A 7 -21.288 -14.496 -10.392 1.00 4.44 C ATOM 105 ND1 HIS A 7 -21.661 -15.806 -10.175 1.00 51.32 N ATOM 106 CD2 HIS A 7 -20.973 -14.415 -11.708 1.00 0.23 C ATOM 107 CE1 HIS A 7 -21.575 -16.480 -11.304 1.00 11.31 C ATOM 108 NE2 HIS A 7 -21.162 -15.661 -12.246 1.00 64.12 N ATOM 0 H HIS A 7 -18.363 -14.045 -9.801 1.00 31.34 H new ATOM 0 HA HIS A 7 -19.957 -12.191 -8.220 1.00 5.53 H new ATOM 0 HB2 HIS A 7 -21.991 -13.748 -8.540 1.00 21.24 H new ATOM 0 HB3 HIS A 7 -21.673 -12.517 -9.745 1.00 21.24 H new ATOM 0 HD2 HIS A 7 -20.636 -13.534 -12.234 1.00 0.23 H new ATOM 0 HE1 HIS A 7 -21.805 -17.527 -11.434 1.00 11.31 H new ATOM 0 HE2 HIS A 7 -21.007 -15.913 -13.222 1.00 64.12 H new ATOM 117 N HIS A 8 -19.006 -13.707 -6.491 1.00 11.05 N ATOM 118 CA HIS A 8 -18.593 -14.552 -5.367 1.00 33.40 C ATOM 119 C HIS A 8 -18.722 -13.798 -4.033 1.00 4.45 C ATOM 120 O HIS A 8 -18.119 -12.741 -3.846 1.00 74.04 O ATOM 121 CB HIS A 8 -17.142 -15.016 -5.565 1.00 3.45 C ATOM 122 CG HIS A 8 -16.603 -15.839 -4.430 1.00 62.45 C ATOM 123 ND1 HIS A 8 -15.785 -15.326 -3.441 1.00 54.54 N ATOM 124 CD2 HIS A 8 -16.758 -17.152 -4.134 1.00 71.42 C ATOM 125 CE1 HIS A 8 -15.461 -16.285 -2.597 1.00 22.42 C ATOM 126 NE2 HIS A 8 -16.038 -17.399 -2.994 1.00 62.33 N ATOM 0 H HIS A 8 -18.797 -12.717 -6.363 1.00 11.05 H new ATOM 0 HA HIS A 8 -19.251 -15.421 -5.335 1.00 33.40 H new ATOM 0 HB2 HIS A 8 -17.080 -15.599 -6.484 1.00 3.45 H new ATOM 0 HB3 HIS A 8 -16.507 -14.141 -5.699 1.00 3.45 H new ATOM 0 HD1 HIS A 8 -15.479 -14.355 -3.375 1.00 54.54 H new ATOM 0 HD2 HIS A 8 -17.340 -17.870 -4.692 1.00 71.42 H new ATOM 0 HE1 HIS A 8 -14.830 -16.175 -1.728 1.00 22.42 H new ATOM 135 N SER A 9 -19.510 -14.346 -3.115 1.00 50.53 N ATOM 136 CA SER A 9 -19.691 -13.746 -1.784 1.00 54.43 C ATOM 137 C SER A 9 -18.655 -14.279 -0.779 1.00 4.13 C ATOM 138 O SER A 9 -17.806 -15.103 -1.129 1.00 24.12 O ATOM 139 CB SER A 9 -21.113 -14.015 -1.274 1.00 32.33 C ATOM 140 OG SER A 9 -21.422 -15.400 -1.312 1.00 32.51 O ATOM 0 H SER A 9 -20.038 -15.206 -3.262 1.00 50.53 H new ATOM 0 HA SER A 9 -19.540 -12.671 -1.877 1.00 54.43 H new ATOM 0 HB2 SER A 9 -21.211 -13.646 -0.253 1.00 32.33 H new ATOM 0 HB3 SER A 9 -21.830 -13.464 -1.882 1.00 32.33 H new ATOM 0 HG SER A 9 -22.333 -15.541 -0.980 1.00 32.51 H new ATOM 146 N HIS A 10 -18.733 -13.802 0.470 1.00 5.15 N ATOM 147 CA HIS A 10 -17.770 -14.162 1.527 1.00 12.43 C ATOM 148 C HIS A 10 -16.374 -13.571 1.264 1.00 20.25 C ATOM 149 O HIS A 10 -15.353 -14.158 1.631 1.00 3.50 O ATOM 150 CB HIS A 10 -17.681 -15.687 1.705 1.00 61.12 C ATOM 151 CG HIS A 10 -18.841 -16.272 2.447 1.00 31.00 C ATOM 152 ND1 HIS A 10 -18.997 -16.135 3.806 1.00 0.42 N ATOM 153 CD2 HIS A 10 -19.899 -17.002 2.023 1.00 73.24 C ATOM 154 CE1 HIS A 10 -20.093 -16.751 4.189 1.00 33.22 C ATOM 155 NE2 HIS A 10 -20.663 -17.286 3.128 1.00 74.41 N ATOM 0 H HIS A 10 -19.461 -13.158 0.779 1.00 5.15 H new ATOM 0 HA HIS A 10 -18.144 -13.726 2.453 1.00 12.43 H new ATOM 0 HB2 HIS A 10 -17.615 -16.156 0.723 1.00 61.12 H new ATOM 0 HB3 HIS A 10 -16.761 -15.929 2.237 1.00 61.12 H new ATOM 0 HD2 HIS A 10 -20.104 -17.304 1.007 1.00 73.24 H new ATOM 0 HE1 HIS A 10 -20.464 -16.809 5.202 1.00 33.22 H new ATOM 0 HE2 HIS A 10 -21.530 -17.823 3.128 1.00 74.41 H new ATOM 164 N MET A 11 -16.337 -12.392 0.654 1.00 73.15 N ATOM 165 CA MET A 11 -15.075 -11.676 0.439 1.00 71.24 C ATOM 166 C MET A 11 -14.675 -10.896 1.707 1.00 33.22 C ATOM 167 O MET A 11 -15.100 -9.759 1.913 1.00 52.52 O ATOM 168 CB MET A 11 -15.196 -10.726 -0.761 1.00 20.21 C ATOM 169 CG MET A 11 -15.616 -11.423 -2.051 1.00 15.23 C ATOM 170 SD MET A 11 -14.462 -12.720 -2.559 1.00 53.41 S ATOM 171 CE MET A 11 -12.962 -11.771 -2.817 1.00 43.05 C ATOM 0 H MET A 11 -17.162 -11.909 0.299 1.00 73.15 H new ATOM 0 HA MET A 11 -14.295 -12.406 0.224 1.00 71.24 H new ATOM 0 HB2 MET A 11 -15.922 -9.947 -0.526 1.00 20.21 H new ATOM 0 HB3 MET A 11 -14.238 -10.231 -0.920 1.00 20.21 H new ATOM 0 HG2 MET A 11 -16.607 -11.857 -1.917 1.00 15.23 H new ATOM 0 HG3 MET A 11 -15.697 -10.684 -2.848 1.00 15.23 H new ATOM 0 HE1 MET A 11 -12.559 -11.989 -3.806 1.00 43.05 H new ATOM 0 HE2 MET A 11 -13.187 -10.707 -2.744 1.00 43.05 H new ATOM 0 HE3 MET A 11 -12.227 -12.039 -2.058 1.00 43.05 H new ATOM 181 N THR A 12 -13.869 -11.525 2.560 1.00 23.30 N ATOM 182 CA THR A 12 -13.471 -10.939 3.854 1.00 75.13 C ATOM 183 C THR A 12 -12.168 -10.131 3.755 1.00 24.21 C ATOM 184 O THR A 12 -11.405 -10.042 4.717 1.00 61.03 O ATOM 185 CB THR A 12 -13.291 -12.045 4.924 1.00 61.41 C ATOM 186 OG1 THR A 12 -12.305 -13.001 4.494 1.00 1.12 O ATOM 187 CG2 THR A 12 -14.611 -12.759 5.197 1.00 1.22 C ATOM 0 H THR A 12 -13.472 -12.448 2.383 1.00 23.30 H new ATOM 0 HA THR A 12 -14.274 -10.262 4.144 1.00 75.13 H new ATOM 0 HB THR A 12 -12.954 -11.569 5.845 1.00 61.41 H new ATOM 0 HG1 THR A 12 -12.083 -13.599 5.238 1.00 1.12 H new ATOM 0 HG21 THR A 12 -14.458 -13.531 5.951 1.00 1.22 H new ATOM 0 HG22 THR A 12 -15.346 -12.039 5.558 1.00 1.22 H new ATOM 0 HG23 THR A 12 -14.974 -13.218 4.277 1.00 1.22 H new ATOM 195 N GLY A 13 -11.938 -9.510 2.601 1.00 54.42 N ATOM 196 CA GLY A 13 -10.710 -8.756 2.369 1.00 62.10 C ATOM 197 C GLY A 13 -10.493 -7.588 3.334 1.00 33.14 C ATOM 198 O GLY A 13 -10.955 -6.472 3.083 1.00 30.24 O ATOM 0 H GLY A 13 -12.585 -9.514 1.813 1.00 54.42 H new ATOM 0 HA2 GLY A 13 -9.861 -9.436 2.444 1.00 62.10 H new ATOM 0 HA3 GLY A 13 -10.721 -8.371 1.349 1.00 62.10 H new ATOM 202 N ASN A 14 -9.802 -7.850 4.443 1.00 12.30 N ATOM 203 CA ASN A 14 -9.408 -6.802 5.394 1.00 45.22 C ATOM 204 C ASN A 14 -7.893 -6.532 5.300 1.00 24.25 C ATOM 205 O ASN A 14 -7.080 -7.246 5.894 1.00 1.43 O ATOM 206 CB ASN A 14 -9.791 -7.192 6.831 1.00 72.22 C ATOM 207 CG ASN A 14 -11.294 -7.328 7.023 1.00 13.32 C ATOM 208 OD1 ASN A 14 -11.990 -6.352 7.294 1.00 52.22 O ATOM 209 ND2 ASN A 14 -11.812 -8.534 6.890 1.00 10.22 N ATOM 0 H ASN A 14 -9.500 -8.787 4.710 1.00 12.30 H new ATOM 0 HA ASN A 14 -9.944 -5.890 5.133 1.00 45.22 H new ATOM 0 HB2 ASN A 14 -9.310 -8.136 7.087 1.00 72.22 H new ATOM 0 HB3 ASN A 14 -9.407 -6.441 7.521 1.00 72.22 H new ATOM 0 HD21 ASN A 14 -12.815 -8.675 7.013 1.00 10.22 H new ATOM 0 HD22 ASN A 14 -11.210 -9.326 6.665 1.00 10.22 H new ATOM 216 N VAL A 15 -7.520 -5.511 4.531 1.00 20.22 N ATOM 217 CA VAL A 15 -6.105 -5.183 4.305 1.00 32.34 C ATOM 218 C VAL A 15 -5.680 -3.918 5.072 1.00 1.23 C ATOM 219 O VAL A 15 -6.430 -2.946 5.157 1.00 43.02 O ATOM 220 CB VAL A 15 -5.815 -4.987 2.792 1.00 52.51 C ATOM 221 CG1 VAL A 15 -4.341 -4.661 2.547 1.00 2.51 C ATOM 222 CG2 VAL A 15 -6.233 -6.228 2.001 1.00 44.55 C ATOM 0 H VAL A 15 -8.175 -4.893 4.051 1.00 20.22 H new ATOM 0 HA VAL A 15 -5.524 -6.026 4.680 1.00 32.34 H new ATOM 0 HB VAL A 15 -6.405 -4.139 2.444 1.00 52.51 H new ATOM 0 HG11 VAL A 15 -4.170 -4.530 1.479 1.00 2.51 H new ATOM 0 HG12 VAL A 15 -4.079 -3.742 3.072 1.00 2.51 H new ATOM 0 HG13 VAL A 15 -3.721 -5.478 2.916 1.00 2.51 H new ATOM 0 HG21 VAL A 15 -6.023 -6.073 0.943 1.00 44.55 H new ATOM 0 HG22 VAL A 15 -5.675 -7.093 2.359 1.00 44.55 H new ATOM 0 HG23 VAL A 15 -7.300 -6.404 2.137 1.00 44.55 H new ATOM 232 N CYS A 16 -4.465 -3.944 5.625 1.00 62.02 N ATOM 233 CA CYS A 16 -3.907 -2.799 6.366 1.00 53.24 C ATOM 234 C CYS A 16 -2.430 -2.585 6.003 1.00 42.22 C ATOM 235 O CYS A 16 -1.792 -3.468 5.433 1.00 51.13 O ATOM 236 CB CYS A 16 -4.044 -3.024 7.878 1.00 12.41 C ATOM 237 SG CYS A 16 -3.205 -4.509 8.490 1.00 43.03 S ATOM 0 H CYS A 16 -3.841 -4.750 5.575 1.00 62.02 H new ATOM 0 HA CYS A 16 -4.468 -1.907 6.086 1.00 53.24 H new ATOM 0 HB2 CYS A 16 -3.645 -2.154 8.400 1.00 12.41 H new ATOM 0 HB3 CYS A 16 -5.103 -3.089 8.129 1.00 12.41 H new ATOM 0 HG CYS A 16 -3.378 -4.607 9.775 1.00 43.03 H new ATOM 243 N ILE A 17 -1.884 -1.414 6.334 1.00 72.20 N ATOM 244 CA ILE A 17 -0.484 -1.099 6.003 1.00 31.44 C ATOM 245 C ILE A 17 0.473 -1.586 7.104 1.00 71.34 C ATOM 246 O ILE A 17 0.384 -1.145 8.252 1.00 14.04 O ATOM 247 CB ILE A 17 -0.261 0.425 5.782 1.00 30.14 C ATOM 248 CG1 ILE A 17 -1.196 0.980 4.686 1.00 33.45 C ATOM 249 CG2 ILE A 17 1.202 0.710 5.431 1.00 13.13 C ATOM 250 CD1 ILE A 17 -2.615 1.240 5.156 1.00 55.24 C ATOM 0 H ILE A 17 -2.380 -0.671 6.826 1.00 72.20 H new ATOM 0 HA ILE A 17 -0.268 -1.622 5.072 1.00 31.44 H new ATOM 0 HB ILE A 17 -0.503 0.933 6.716 1.00 30.14 H new ATOM 0 HG12 ILE A 17 -0.776 1.909 4.302 1.00 33.45 H new ATOM 0 HG13 ILE A 17 -1.223 0.275 3.855 1.00 33.45 H new ATOM 0 HG21 ILE A 17 1.338 1.781 5.280 1.00 13.13 H new ATOM 0 HG22 ILE A 17 1.844 0.374 6.245 1.00 13.13 H new ATOM 0 HG23 ILE A 17 1.467 0.178 4.517 1.00 13.13 H new ATOM 0 HD11 ILE A 17 -3.207 1.628 4.327 1.00 55.24 H new ATOM 0 HD12 ILE A 17 -3.056 0.309 5.513 1.00 55.24 H new ATOM 0 HD13 ILE A 17 -2.602 1.969 5.966 1.00 55.24 H new ATOM 262 N GLU A 18 1.393 -2.483 6.745 1.00 11.24 N ATOM 263 CA GLU A 18 2.367 -3.010 7.707 1.00 62.52 C ATOM 264 C GLU A 18 3.382 -1.935 8.121 1.00 70.54 C ATOM 265 O GLU A 18 3.619 -1.715 9.313 1.00 23.24 O ATOM 266 CB GLU A 18 3.119 -4.221 7.132 1.00 33.34 C ATOM 267 CG GLU A 18 4.123 -4.827 8.113 1.00 63.43 C ATOM 268 CD GLU A 18 5.019 -5.884 7.486 1.00 20.02 C ATOM 269 OE1 GLU A 18 4.608 -7.060 7.425 1.00 35.44 O ATOM 270 OE2 GLU A 18 6.144 -5.540 7.061 1.00 21.32 O ATOM 0 H GLU A 18 1.485 -2.859 5.801 1.00 11.24 H new ATOM 0 HA GLU A 18 1.805 -3.324 8.586 1.00 62.52 H new ATOM 0 HB2 GLU A 18 2.397 -4.985 6.842 1.00 33.34 H new ATOM 0 HB3 GLU A 18 3.644 -3.918 6.226 1.00 33.34 H new ATOM 0 HG2 GLU A 18 4.745 -4.031 8.523 1.00 63.43 H new ATOM 0 HG3 GLU A 18 3.581 -5.270 8.948 1.00 63.43 H new ATOM 277 N GLU A 19 3.984 -1.266 7.134 1.00 4.11 N ATOM 278 CA GLU A 19 4.987 -0.231 7.410 1.00 42.40 C ATOM 279 C GLU A 19 5.383 0.546 6.142 1.00 60.33 C ATOM 280 O GLU A 19 5.307 0.026 5.023 1.00 55.45 O ATOM 281 CB GLU A 19 6.240 -0.859 8.043 1.00 13.14 C ATOM 282 CG GLU A 19 7.231 0.163 8.593 1.00 34.03 C ATOM 283 CD GLU A 19 6.621 1.034 9.682 1.00 15.31 C ATOM 284 OE1 GLU A 19 6.016 2.077 9.351 1.00 23.51 O ATOM 285 OE2 GLU A 19 6.730 0.666 10.871 1.00 22.31 O ATOM 0 H GLU A 19 3.797 -1.420 6.143 1.00 4.11 H new ATOM 0 HA GLU A 19 4.536 0.476 8.107 1.00 42.40 H new ATOM 0 HB2 GLU A 19 5.933 -1.524 8.850 1.00 13.14 H new ATOM 0 HB3 GLU A 19 6.743 -1.474 7.297 1.00 13.14 H new ATOM 0 HG2 GLU A 19 8.101 -0.357 8.993 1.00 34.03 H new ATOM 0 HG3 GLU A 19 7.584 0.797 7.780 1.00 34.03 H new ATOM 292 N ILE A 20 5.808 1.796 6.336 1.00 22.24 N ATOM 293 CA ILE A 20 6.293 2.650 5.244 1.00 53.33 C ATOM 294 C ILE A 20 7.822 2.823 5.322 1.00 61.00 C ATOM 295 O ILE A 20 8.373 3.064 6.401 1.00 62.42 O ATOM 296 CB ILE A 20 5.628 4.055 5.294 1.00 21.44 C ATOM 297 CG1 ILE A 20 4.096 3.931 5.224 1.00 12.24 C ATOM 298 CG2 ILE A 20 6.150 4.946 4.163 1.00 50.45 C ATOM 299 CD1 ILE A 20 3.368 5.257 5.320 1.00 64.12 C ATOM 0 H ILE A 20 5.827 2.246 7.251 1.00 22.24 H new ATOM 0 HA ILE A 20 6.027 2.158 4.308 1.00 53.33 H new ATOM 0 HB ILE A 20 5.892 4.522 6.243 1.00 21.44 H new ATOM 0 HG12 ILE A 20 3.823 3.445 4.288 1.00 12.24 H new ATOM 0 HG13 ILE A 20 3.756 3.282 6.031 1.00 12.24 H new ATOM 0 HG21 ILE A 20 5.670 5.923 4.219 1.00 50.45 H new ATOM 0 HG22 ILE A 20 7.229 5.065 4.262 1.00 50.45 H new ATOM 0 HG23 ILE A 20 5.923 4.485 3.202 1.00 50.45 H new ATOM 0 HD11 ILE A 20 2.293 5.087 5.263 1.00 64.12 H new ATOM 0 HD12 ILE A 20 3.610 5.737 6.268 1.00 64.12 H new ATOM 0 HD13 ILE A 20 3.677 5.902 4.498 1.00 64.12 H new ATOM 311 N ASP A 21 8.505 2.694 4.185 1.00 33.13 N ATOM 312 CA ASP A 21 9.958 2.889 4.133 1.00 23.34 C ATOM 313 C ASP A 21 10.332 4.372 4.335 1.00 61.12 C ATOM 314 O ASP A 21 9.783 5.261 3.680 1.00 64.44 O ATOM 315 CB ASP A 21 10.509 2.370 2.797 1.00 55.22 C ATOM 316 CG ASP A 21 11.972 2.721 2.587 1.00 31.10 C ATOM 317 OD1 ASP A 21 12.809 2.350 3.435 1.00 65.21 O ATOM 318 OD2 ASP A 21 12.287 3.366 1.574 1.00 21.24 O ATOM 0 H ASP A 21 8.079 2.456 3.289 1.00 33.13 H new ATOM 0 HA ASP A 21 10.408 2.322 4.947 1.00 23.34 H new ATOM 0 HB2 ASP A 21 10.391 1.287 2.757 1.00 55.22 H new ATOM 0 HB3 ASP A 21 9.919 2.786 1.980 1.00 55.22 H new ATOM 323 N VAL A 22 11.274 4.623 5.245 1.00 64.33 N ATOM 324 CA VAL A 22 11.693 5.988 5.588 1.00 15.23 C ATOM 325 C VAL A 22 12.482 6.667 4.450 1.00 51.01 C ATOM 326 O VAL A 22 12.464 7.894 4.316 1.00 31.10 O ATOM 327 CB VAL A 22 12.550 5.991 6.882 1.00 5.24 C ATOM 328 CG1 VAL A 22 13.845 5.199 6.689 1.00 74.31 C ATOM 329 CG2 VAL A 22 12.846 7.417 7.348 1.00 73.23 C ATOM 0 H VAL A 22 11.766 3.895 5.763 1.00 64.33 H new ATOM 0 HA VAL A 22 10.779 6.560 5.750 1.00 15.23 H new ATOM 0 HB VAL A 22 11.969 5.499 7.662 1.00 5.24 H new ATOM 0 HG11 VAL A 22 14.425 5.219 7.612 1.00 74.31 H new ATOM 0 HG12 VAL A 22 13.606 4.167 6.433 1.00 74.31 H new ATOM 0 HG13 VAL A 22 14.429 5.646 5.884 1.00 74.31 H new ATOM 0 HG21 VAL A 22 13.448 7.385 8.256 1.00 73.23 H new ATOM 0 HG22 VAL A 22 13.393 7.948 6.569 1.00 73.23 H new ATOM 0 HG23 VAL A 22 11.909 7.935 7.552 1.00 73.23 H new ATOM 339 N ASP A 23 13.169 5.875 3.633 1.00 43.35 N ATOM 340 CA ASP A 23 13.984 6.422 2.544 1.00 74.33 C ATOM 341 C ASP A 23 13.093 6.936 1.398 1.00 20.22 C ATOM 342 O ASP A 23 13.313 8.028 0.869 1.00 62.25 O ATOM 343 CB ASP A 23 14.955 5.353 2.033 1.00 43.52 C ATOM 344 CG ASP A 23 16.054 5.927 1.152 1.00 24.35 C ATOM 345 OD1 ASP A 23 15.821 6.126 -0.057 1.00 34.21 O ATOM 346 OD2 ASP A 23 17.170 6.168 1.666 1.00 43.22 O ATOM 0 H ASP A 23 13.181 4.857 3.700 1.00 43.35 H new ATOM 0 HA ASP A 23 14.557 7.266 2.928 1.00 74.33 H new ATOM 0 HB2 ASP A 23 15.407 4.843 2.884 1.00 43.52 H new ATOM 0 HB3 ASP A 23 14.399 4.603 1.470 1.00 43.52 H new ATOM 351 N GLY A 24 12.086 6.141 1.032 1.00 73.32 N ATOM 352 CA GLY A 24 11.149 6.521 -0.024 1.00 63.32 C ATOM 353 C GLY A 24 11.188 5.586 -1.228 1.00 73.44 C ATOM 354 O GLY A 24 11.070 6.025 -2.378 1.00 44.41 O ATOM 0 H GLY A 24 11.899 5.230 1.452 1.00 73.32 H new ATOM 0 HA2 GLY A 24 10.138 6.535 0.384 1.00 63.32 H new ATOM 0 HA3 GLY A 24 11.374 7.536 -0.353 1.00 63.32 H new ATOM 358 N LYS A 25 11.352 4.291 -0.962 1.00 31.01 N ATOM 359 CA LYS A 25 11.443 3.276 -2.017 1.00 50.30 C ATOM 360 C LYS A 25 10.151 2.447 -2.149 1.00 13.04 C ATOM 361 O LYS A 25 9.737 2.113 -3.262 1.00 33.11 O ATOM 362 CB LYS A 25 12.612 2.331 -1.718 1.00 63.51 C ATOM 363 CG LYS A 25 13.955 3.036 -1.573 1.00 54.44 C ATOM 364 CD LYS A 25 14.991 2.134 -0.913 1.00 52.00 C ATOM 365 CE LYS A 25 16.311 2.858 -0.706 1.00 11.55 C ATOM 366 NZ LYS A 25 17.211 2.111 0.205 1.00 55.54 N ATOM 0 H LYS A 25 11.425 3.915 -0.017 1.00 31.01 H new ATOM 0 HA LYS A 25 11.600 3.802 -2.959 1.00 50.30 H new ATOM 0 HB2 LYS A 25 12.399 1.785 -0.799 1.00 63.51 H new ATOM 0 HB3 LYS A 25 12.684 1.594 -2.518 1.00 63.51 H new ATOM 0 HG2 LYS A 25 14.313 3.345 -2.555 1.00 54.44 H new ATOM 0 HG3 LYS A 25 13.829 3.942 -0.980 1.00 54.44 H new ATOM 0 HD2 LYS A 25 14.612 1.785 0.048 1.00 52.00 H new ATOM 0 HD3 LYS A 25 15.153 1.251 -1.531 1.00 52.00 H new ATOM 0 HE2 LYS A 25 16.803 2.999 -1.668 1.00 11.55 H new ATOM 0 HE3 LYS A 25 16.121 3.850 -0.297 1.00 11.55 H new ATOM 0 HZ1 LYS A 25 18.101 2.636 0.321 1.00 55.54 H new ATOM 0 HZ2 LYS A 25 16.752 1.998 1.131 1.00 55.54 H new ATOM 0 HZ3 LYS A 25 17.413 1.174 -0.198 1.00 55.54 H new ATOM 380 N PHE A 26 9.527 2.101 -1.015 1.00 10.25 N ATOM 381 CA PHE A 26 8.370 1.191 -1.028 1.00 14.35 C ATOM 382 C PHE A 26 7.470 1.328 0.218 1.00 53.21 C ATOM 383 O PHE A 26 7.885 1.839 1.260 1.00 12.03 O ATOM 384 CB PHE A 26 8.857 -0.263 -1.147 1.00 41.45 C ATOM 385 CG PHE A 26 9.720 -0.724 0.009 1.00 1.55 C ATOM 386 CD1 PHE A 26 11.093 -0.514 -0.002 1.00 63.03 C ATOM 387 CD2 PHE A 26 9.158 -1.370 1.104 1.00 3.04 C ATOM 388 CE1 PHE A 26 11.883 -0.935 1.052 1.00 72.14 C ATOM 389 CE2 PHE A 26 9.947 -1.792 2.159 1.00 23.33 C ATOM 390 CZ PHE A 26 11.310 -1.576 2.132 1.00 21.24 C ATOM 0 H PHE A 26 9.798 2.431 -0.089 1.00 10.25 H new ATOM 0 HA PHE A 26 7.764 1.469 -1.890 1.00 14.35 H new ATOM 0 HB2 PHE A 26 7.990 -0.920 -1.224 1.00 41.45 H new ATOM 0 HB3 PHE A 26 9.422 -0.371 -2.073 1.00 41.45 H new ATOM 0 HD1 PHE A 26 11.549 -0.016 -0.844 1.00 63.03 H new ATOM 0 HD2 PHE A 26 8.093 -1.545 1.131 1.00 3.04 H new ATOM 0 HE1 PHE A 26 12.949 -0.762 1.030 1.00 72.14 H new ATOM 0 HE2 PHE A 26 9.496 -2.291 3.004 1.00 23.33 H new ATOM 0 HZ PHE A 26 11.927 -1.908 2.954 1.00 21.24 H new ATOM 400 N ILE A 27 6.231 0.853 0.089 1.00 4.10 N ATOM 401 CA ILE A 27 5.284 0.763 1.208 1.00 71.00 C ATOM 402 C ILE A 27 4.645 -0.636 1.238 1.00 64.32 C ATOM 403 O ILE A 27 4.040 -1.062 0.259 1.00 41.34 O ATOM 404 CB ILE A 27 4.160 1.825 1.088 1.00 32.10 C ATOM 405 CG1 ILE A 27 4.753 3.243 1.045 1.00 62.34 C ATOM 406 CG2 ILE A 27 3.167 1.688 2.244 1.00 32.24 C ATOM 407 CD1 ILE A 27 3.719 4.334 0.854 1.00 50.34 C ATOM 0 H ILE A 27 5.852 0.518 -0.796 1.00 4.10 H new ATOM 0 HA ILE A 27 5.840 0.946 2.128 1.00 71.00 H new ATOM 0 HB ILE A 27 3.625 1.653 0.154 1.00 32.10 H new ATOM 0 HG12 ILE A 27 5.295 3.428 1.972 1.00 62.34 H new ATOM 0 HG13 ILE A 27 5.480 3.298 0.234 1.00 62.34 H new ATOM 0 HG21 ILE A 27 2.385 2.441 2.143 1.00 32.24 H new ATOM 0 HG22 ILE A 27 2.719 0.695 2.223 1.00 32.24 H new ATOM 0 HG23 ILE A 27 3.689 1.831 3.190 1.00 32.24 H new ATOM 0 HD11 ILE A 27 4.214 5.305 0.834 1.00 50.34 H new ATOM 0 HD12 ILE A 27 3.193 4.176 -0.087 1.00 50.34 H new ATOM 0 HD13 ILE A 27 3.006 4.307 1.678 1.00 50.34 H new ATOM 419 N ARG A 28 4.777 -1.358 2.348 1.00 52.12 N ATOM 420 CA ARG A 28 4.264 -2.736 2.418 1.00 53.30 C ATOM 421 C ARG A 28 2.904 -2.834 3.131 1.00 2.13 C ATOM 422 O ARG A 28 2.756 -2.437 4.291 1.00 24.42 O ATOM 423 CB ARG A 28 5.286 -3.662 3.094 1.00 60.33 C ATOM 424 CG ARG A 28 4.731 -5.046 3.435 1.00 21.31 C ATOM 425 CD ARG A 28 5.832 -6.052 3.755 1.00 35.41 C ATOM 426 NE ARG A 28 6.516 -6.520 2.551 1.00 44.42 N ATOM 427 CZ ARG A 28 7.201 -7.629 2.482 1.00 50.14 C ATOM 428 NH1 ARG A 28 7.340 -8.387 3.522 1.00 73.44 N ATOM 429 NH2 ARG A 28 7.742 -7.984 1.364 1.00 54.04 N ATOM 0 H ARG A 28 5.226 -1.025 3.201 1.00 52.12 H new ATOM 0 HA ARG A 28 4.108 -3.060 1.389 1.00 53.30 H new ATOM 0 HB2 ARG A 28 6.148 -3.778 2.437 1.00 60.33 H new ATOM 0 HB3 ARG A 28 5.643 -3.188 4.008 1.00 60.33 H new ATOM 0 HG2 ARG A 28 4.058 -4.964 4.289 1.00 21.31 H new ATOM 0 HG3 ARG A 28 4.139 -5.414 2.597 1.00 21.31 H new ATOM 0 HD2 ARG A 28 6.557 -5.594 4.428 1.00 35.41 H new ATOM 0 HD3 ARG A 28 5.402 -6.904 4.282 1.00 35.41 H new ATOM 0 HE ARG A 28 6.454 -5.944 1.712 1.00 44.42 H new ATOM 0 HH11 ARG A 28 6.912 -8.120 4.408 1.00 73.44 H new ATOM 0 HH12 ARG A 28 7.878 -9.251 3.455 1.00 73.44 H new ATOM 0 HH21 ARG A 28 7.634 -7.398 0.536 1.00 54.04 H new ATOM 0 HH22 ARG A 28 8.277 -8.850 1.309 1.00 54.04 H new ATOM 443 N LEU A 29 1.917 -3.377 2.417 1.00 1.32 N ATOM 444 CA LEU A 29 0.589 -3.651 2.978 1.00 33.31 C ATOM 445 C LEU A 29 0.479 -5.124 3.415 1.00 74.33 C ATOM 446 O LEU A 29 1.378 -5.926 3.156 1.00 1.32 O ATOM 447 CB LEU A 29 -0.511 -3.338 1.949 1.00 11.43 C ATOM 448 CG LEU A 29 -0.769 -1.846 1.653 1.00 32.31 C ATOM 449 CD1 LEU A 29 0.474 -1.159 1.082 1.00 3.41 C ATOM 450 CD2 LEU A 29 -1.949 -1.696 0.697 1.00 54.14 C ATOM 0 H LEU A 29 2.013 -3.639 1.436 1.00 1.32 H new ATOM 0 HA LEU A 29 0.455 -3.009 3.848 1.00 33.31 H new ATOM 0 HB2 LEU A 29 -0.253 -3.833 1.012 1.00 11.43 H new ATOM 0 HB3 LEU A 29 -1.443 -3.783 2.299 1.00 11.43 H new ATOM 0 HG LEU A 29 -1.010 -1.356 2.596 1.00 32.31 H new ATOM 0 HD11 LEU A 29 0.252 -0.110 0.887 1.00 3.41 H new ATOM 0 HD12 LEU A 29 1.291 -1.230 1.800 1.00 3.41 H new ATOM 0 HD13 LEU A 29 0.765 -1.648 0.152 1.00 3.41 H new ATOM 0 HD21 LEU A 29 -2.122 -0.639 0.495 1.00 54.14 H new ATOM 0 HD22 LEU A 29 -1.728 -2.212 -0.237 1.00 54.14 H new ATOM 0 HD23 LEU A 29 -2.841 -2.130 1.149 1.00 54.14 H new ATOM 462 N LYS A 30 -0.630 -5.478 4.060 1.00 62.45 N ATOM 463 CA LYS A 30 -0.831 -6.845 4.561 1.00 43.35 C ATOM 464 C LYS A 30 -2.324 -7.207 4.665 1.00 23.12 C ATOM 465 O LYS A 30 -3.123 -6.449 5.220 1.00 21.21 O ATOM 466 CB LYS A 30 -0.159 -6.996 5.933 1.00 51.10 C ATOM 467 CG LYS A 30 -0.290 -8.389 6.540 1.00 65.43 C ATOM 468 CD LYS A 30 0.521 -8.518 7.824 1.00 45.32 C ATOM 469 CE LYS A 30 0.433 -9.919 8.415 1.00 73.12 C ATOM 470 NZ LYS A 30 1.313 -10.067 9.601 1.00 42.33 N ATOM 0 H LYS A 30 -1.405 -4.842 4.250 1.00 62.45 H new ATOM 0 HA LYS A 30 -0.376 -7.532 3.847 1.00 43.35 H new ATOM 0 HB2 LYS A 30 0.899 -6.751 5.837 1.00 51.10 H new ATOM 0 HB3 LYS A 30 -0.593 -6.270 6.620 1.00 51.10 H new ATOM 0 HG2 LYS A 30 -1.339 -8.599 6.749 1.00 65.43 H new ATOM 0 HG3 LYS A 30 0.047 -9.134 5.819 1.00 65.43 H new ATOM 0 HD2 LYS A 30 1.564 -8.275 7.620 1.00 45.32 H new ATOM 0 HD3 LYS A 30 0.162 -7.793 8.554 1.00 45.32 H new ATOM 0 HE2 LYS A 30 -0.598 -10.131 8.697 1.00 73.12 H new ATOM 0 HE3 LYS A 30 0.714 -10.652 7.659 1.00 73.12 H new ATOM 0 HZ1 LYS A 30 1.228 -11.033 9.978 1.00 42.33 H new ATOM 0 HZ2 LYS A 30 2.300 -9.888 9.326 1.00 42.33 H new ATOM 0 HZ3 LYS A 30 1.028 -9.384 10.332 1.00 42.33 H new ATOM 484 N ASN A 31 -2.685 -8.375 4.137 1.00 33.32 N ATOM 485 CA ASN A 31 -4.068 -8.871 4.192 1.00 12.13 C ATOM 486 C ASN A 31 -4.303 -9.705 5.461 1.00 23.44 C ATOM 487 O ASN A 31 -3.856 -10.847 5.552 1.00 65.45 O ATOM 488 CB ASN A 31 -4.369 -9.711 2.939 1.00 23.22 C ATOM 489 CG ASN A 31 -5.741 -10.370 2.962 1.00 30.03 C ATOM 490 OD1 ASN A 31 -6.686 -9.857 3.548 1.00 13.43 O ATOM 491 ND2 ASN A 31 -5.861 -11.518 2.323 1.00 52.41 N ATOM 0 H ASN A 31 -2.037 -9.003 3.662 1.00 33.32 H new ATOM 0 HA ASN A 31 -4.742 -8.015 4.222 1.00 12.13 H new ATOM 0 HB2 ASN A 31 -4.296 -9.073 2.058 1.00 23.22 H new ATOM 0 HB3 ASN A 31 -3.606 -10.483 2.837 1.00 23.22 H new ATOM 0 HD21 ASN A 31 -6.759 -12.002 2.308 1.00 52.41 H new ATOM 0 HD22 ASN A 31 -5.056 -11.921 1.844 1.00 52.41 H new ATOM 498 N THR A 32 -4.993 -9.128 6.444 1.00 62.45 N ATOM 499 CA THR A 32 -5.305 -9.843 7.689 1.00 71.45 C ATOM 500 C THR A 32 -6.785 -10.253 7.729 1.00 22.34 C ATOM 501 O THR A 32 -7.637 -9.556 8.287 1.00 22.52 O ATOM 502 CB THR A 32 -4.936 -9.017 8.952 1.00 43.14 C ATOM 503 OG1 THR A 32 -5.354 -9.710 10.138 1.00 31.12 O ATOM 504 CG2 THR A 32 -5.551 -7.617 8.915 1.00 23.13 C ATOM 0 H THR A 32 -5.347 -8.172 6.407 1.00 62.45 H new ATOM 0 HA THR A 32 -4.690 -10.743 7.699 1.00 71.45 H new ATOM 0 HB THR A 32 -3.852 -8.902 8.965 1.00 43.14 H new ATOM 0 HG1 THR A 32 -5.115 -9.181 10.927 1.00 31.12 H new ATOM 0 HG21 THR A 32 -5.269 -7.072 9.816 1.00 23.13 H new ATOM 0 HG22 THR A 32 -5.186 -7.082 8.038 1.00 23.13 H new ATOM 0 HG23 THR A 32 -6.637 -7.698 8.865 1.00 23.13 H new ATOM 512 N SER A 33 -7.086 -11.390 7.108 1.00 64.42 N ATOM 513 CA SER A 33 -8.471 -11.850 6.949 1.00 54.23 C ATOM 514 C SER A 33 -8.620 -13.348 7.240 1.00 4.02 C ATOM 515 O SER A 33 -7.655 -14.026 7.608 1.00 63.33 O ATOM 516 CB SER A 33 -8.964 -11.552 5.528 1.00 14.20 C ATOM 517 OG SER A 33 -8.135 -12.166 4.554 1.00 23.00 O ATOM 0 H SER A 33 -6.389 -12.015 6.703 1.00 64.42 H new ATOM 0 HA SER A 33 -9.077 -11.308 7.675 1.00 54.23 H new ATOM 0 HB2 SER A 33 -9.988 -11.909 5.414 1.00 14.20 H new ATOM 0 HB3 SER A 33 -8.982 -10.474 5.366 1.00 14.20 H new ATOM 0 HG SER A 33 -7.672 -11.475 4.036 1.00 23.00 H new ATOM 523 N GLU A 34 -9.841 -13.857 7.074 1.00 65.23 N ATOM 524 CA GLU A 34 -10.142 -15.272 7.328 1.00 54.00 C ATOM 525 C GLU A 34 -9.778 -16.184 6.143 1.00 74.45 C ATOM 526 O GLU A 34 -9.575 -17.386 6.325 1.00 40.21 O ATOM 527 CB GLU A 34 -11.633 -15.452 7.645 1.00 74.51 C ATOM 528 CG GLU A 34 -12.094 -14.767 8.926 1.00 61.32 C ATOM 529 CD GLU A 34 -13.555 -15.048 9.235 1.00 62.25 C ATOM 530 OE1 GLU A 34 -13.878 -16.192 9.621 1.00 24.50 O ATOM 531 OE2 GLU A 34 -14.392 -14.135 9.086 1.00 0.43 O ATOM 0 H GLU A 34 -10.644 -13.310 6.763 1.00 65.23 H new ATOM 0 HA GLU A 34 -9.529 -15.565 8.180 1.00 54.00 H new ATOM 0 HB2 GLU A 34 -12.218 -15.066 6.811 1.00 74.51 H new ATOM 0 HB3 GLU A 34 -11.850 -16.518 7.720 1.00 74.51 H new ATOM 0 HG2 GLU A 34 -11.477 -15.105 9.759 1.00 61.32 H new ATOM 0 HG3 GLU A 34 -11.944 -13.691 8.835 1.00 61.32 H new ATOM 538 N GLN A 35 -9.695 -15.625 4.936 1.00 64.11 N ATOM 539 CA GLN A 35 -9.548 -16.445 3.724 1.00 35.31 C ATOM 540 C GLN A 35 -8.702 -15.751 2.642 1.00 75.12 C ATOM 541 O GLN A 35 -8.609 -14.524 2.599 1.00 34.05 O ATOM 542 CB GLN A 35 -10.946 -16.778 3.168 1.00 3.34 C ATOM 543 CG GLN A 35 -10.938 -17.630 1.901 1.00 61.53 C ATOM 544 CD GLN A 35 -12.336 -17.978 1.422 1.00 24.13 C ATOM 545 OE1 GLN A 35 -12.903 -18.996 1.803 1.00 60.10 O ATOM 546 NE2 GLN A 35 -12.907 -17.139 0.581 1.00 51.40 N ATOM 0 H GLN A 35 -9.726 -14.620 4.767 1.00 64.11 H new ATOM 0 HA GLN A 35 -9.021 -17.358 4.000 1.00 35.31 H new ATOM 0 HB2 GLN A 35 -11.514 -17.300 3.938 1.00 3.34 H new ATOM 0 HB3 GLN A 35 -11.472 -15.846 2.960 1.00 3.34 H new ATOM 0 HG2 GLN A 35 -10.410 -17.095 1.111 1.00 61.53 H new ATOM 0 HG3 GLN A 35 -10.383 -18.549 2.089 1.00 61.53 H new ATOM 0 HE21 GLN A 35 -12.410 -16.300 0.282 1.00 51.40 H new ATOM 0 HE22 GLN A 35 -13.845 -17.329 0.229 1.00 51.40 H new ATOM 555 N ASP A 36 -8.084 -16.561 1.776 1.00 63.33 N ATOM 556 CA ASP A 36 -7.319 -16.068 0.621 1.00 72.41 C ATOM 557 C ASP A 36 -8.131 -15.052 -0.204 1.00 12.24 C ATOM 558 O ASP A 36 -9.270 -15.325 -0.594 1.00 64.41 O ATOM 559 CB ASP A 36 -6.917 -17.250 -0.277 1.00 0.24 C ATOM 560 CG ASP A 36 -6.027 -18.268 0.420 1.00 60.52 C ATOM 561 OD1 ASP A 36 -6.281 -18.585 1.603 1.00 70.33 O ATOM 562 OD2 ASP A 36 -5.084 -18.774 -0.221 1.00 43.13 O ATOM 0 H ASP A 36 -8.099 -17.578 1.854 1.00 63.33 H new ATOM 0 HA ASP A 36 -6.429 -15.565 0.999 1.00 72.41 H new ATOM 0 HB2 ASP A 36 -7.819 -17.750 -0.631 1.00 0.24 H new ATOM 0 HB3 ASP A 36 -6.398 -16.868 -1.156 1.00 0.24 H new ATOM 567 N GLN A 37 -7.546 -13.884 -0.470 1.00 32.34 N ATOM 568 CA GLN A 37 -8.228 -12.826 -1.232 1.00 33.35 C ATOM 569 C GLN A 37 -7.445 -12.448 -2.506 1.00 53.21 C ATOM 570 O GLN A 37 -6.301 -11.999 -2.433 1.00 21.24 O ATOM 571 CB GLN A 37 -8.429 -11.586 -0.346 1.00 53.51 C ATOM 572 CG GLN A 37 -9.364 -11.813 0.842 1.00 53.13 C ATOM 573 CD GLN A 37 -10.791 -12.141 0.425 1.00 11.42 C ATOM 574 OE1 GLN A 37 -11.622 -11.257 0.248 1.00 51.31 O ATOM 575 NE2 GLN A 37 -11.090 -13.415 0.268 1.00 35.25 N ATOM 0 H GLN A 37 -6.601 -13.642 -0.171 1.00 32.34 H new ATOM 0 HA GLN A 37 -9.200 -13.211 -1.542 1.00 33.35 H new ATOM 0 HB2 GLN A 37 -7.459 -11.258 0.027 1.00 53.51 H new ATOM 0 HB3 GLN A 37 -8.826 -10.776 -0.958 1.00 53.51 H new ATOM 0 HG2 GLN A 37 -8.974 -12.627 1.453 1.00 53.13 H new ATOM 0 HG3 GLN A 37 -9.371 -10.920 1.467 1.00 53.13 H new ATOM 0 HE21 GLN A 37 -10.378 -14.129 0.422 1.00 35.25 H new ATOM 0 HE22 GLN A 37 -12.034 -13.687 -0.008 1.00 35.25 H new ATOM 584 N PRO A 38 -8.059 -12.614 -3.696 1.00 64.32 N ATOM 585 CA PRO A 38 -7.421 -12.279 -4.989 1.00 23.33 C ATOM 586 C PRO A 38 -7.345 -10.761 -5.277 1.00 3.33 C ATOM 587 O PRO A 38 -7.347 -10.347 -6.437 1.00 40.35 O ATOM 588 CB PRO A 38 -8.325 -12.982 -6.028 1.00 10.01 C ATOM 589 CG PRO A 38 -9.275 -13.830 -5.238 1.00 0.24 C ATOM 590 CD PRO A 38 -9.403 -13.168 -3.897 1.00 53.44 C ATOM 0 HA PRO A 38 -6.380 -12.602 -5.006 1.00 23.33 H new ATOM 0 HB2 PRO A 38 -8.863 -12.253 -6.634 1.00 10.01 H new ATOM 0 HB3 PRO A 38 -7.734 -13.591 -6.712 1.00 10.01 H new ATOM 0 HG2 PRO A 38 -10.243 -13.897 -5.734 1.00 0.24 H new ATOM 0 HG3 PRO A 38 -8.898 -14.848 -5.136 1.00 0.24 H new ATOM 0 HD2 PRO A 38 -10.168 -12.391 -3.898 1.00 53.44 H new ATOM 0 HD3 PRO A 38 -9.671 -13.879 -3.116 1.00 53.44 H new ATOM 598 N MET A 39 -7.250 -9.946 -4.221 1.00 21.40 N ATOM 599 CA MET A 39 -7.151 -8.481 -4.346 1.00 13.53 C ATOM 600 C MET A 39 -8.427 -7.854 -4.953 1.00 11.20 C ATOM 601 O MET A 39 -9.187 -7.174 -4.260 1.00 53.14 O ATOM 602 CB MET A 39 -5.911 -8.095 -5.175 1.00 2.04 C ATOM 603 CG MET A 39 -5.679 -6.590 -5.313 1.00 52.11 C ATOM 604 SD MET A 39 -4.864 -5.833 -3.883 1.00 52.02 S ATOM 605 CE MET A 39 -6.135 -5.879 -2.623 1.00 21.42 C ATOM 0 H MET A 39 -7.239 -10.278 -3.257 1.00 21.40 H new ATOM 0 HA MET A 39 -7.046 -8.078 -3.338 1.00 13.53 H new ATOM 0 HB2 MET A 39 -5.030 -8.544 -4.717 1.00 2.04 H new ATOM 0 HB3 MET A 39 -6.008 -8.527 -6.171 1.00 2.04 H new ATOM 0 HG2 MET A 39 -5.075 -6.406 -6.201 1.00 52.11 H new ATOM 0 HG3 MET A 39 -6.639 -6.098 -5.473 1.00 52.11 H new ATOM 0 HE1 MET A 39 -6.079 -4.975 -2.017 1.00 21.42 H new ATOM 0 HE2 MET A 39 -7.115 -5.938 -3.097 1.00 21.42 H new ATOM 0 HE3 MET A 39 -5.986 -6.752 -1.987 1.00 21.42 H new ATOM 615 N GLY A 40 -8.652 -8.073 -6.246 1.00 64.33 N ATOM 616 CA GLY A 40 -9.831 -7.522 -6.912 1.00 52.15 C ATOM 617 C GLY A 40 -9.553 -6.208 -7.641 1.00 4.53 C ATOM 618 O GLY A 40 -9.453 -6.179 -8.871 1.00 32.33 O ATOM 0 H GLY A 40 -8.040 -8.623 -6.849 1.00 64.33 H new ATOM 0 HA2 GLY A 40 -10.211 -8.252 -7.626 1.00 52.15 H new ATOM 0 HA3 GLY A 40 -10.616 -7.361 -6.173 1.00 52.15 H new ATOM 622 N GLY A 41 -9.429 -5.118 -6.883 1.00 30.24 N ATOM 623 CA GLY A 41 -9.176 -3.805 -7.478 1.00 0.12 C ATOM 624 C GLY A 41 -9.485 -2.651 -6.526 1.00 40.31 C ATOM 625 O GLY A 41 -10.569 -2.067 -6.574 1.00 25.00 O ATOM 0 H GLY A 41 -9.499 -5.117 -5.865 1.00 30.24 H new ATOM 0 HA2 GLY A 41 -8.132 -3.746 -7.785 1.00 0.12 H new ATOM 0 HA3 GLY A 41 -9.780 -3.698 -8.379 1.00 0.12 H new ATOM 629 N TRP A 42 -8.524 -2.326 -5.657 1.00 1.42 N ATOM 630 CA TRP A 42 -8.705 -1.283 -4.632 1.00 41.25 C ATOM 631 C TRP A 42 -8.042 0.045 -5.050 1.00 33.30 C ATOM 632 O TRP A 42 -7.358 0.114 -6.075 1.00 32.41 O ATOM 633 CB TRP A 42 -8.106 -1.755 -3.293 1.00 54.31 C ATOM 634 CG TRP A 42 -8.725 -3.012 -2.737 1.00 2.12 C ATOM 635 CD1 TRP A 42 -9.238 -4.062 -3.441 1.00 33.32 C ATOM 636 CD2 TRP A 42 -8.869 -3.353 -1.353 1.00 73.35 C ATOM 637 NE1 TRP A 42 -9.697 -5.028 -2.584 1.00 32.45 N ATOM 638 CE2 TRP A 42 -9.483 -4.617 -1.297 1.00 2.42 C ATOM 639 CE3 TRP A 42 -8.540 -2.710 -0.157 1.00 60.20 C ATOM 640 CZ2 TRP A 42 -9.774 -5.251 -0.095 1.00 75.54 C ATOM 641 CZ3 TRP A 42 -8.828 -3.343 1.037 1.00 61.12 C ATOM 642 CH2 TRP A 42 -9.441 -4.601 1.060 1.00 72.11 C ATOM 0 H TRP A 42 -7.606 -2.771 -5.640 1.00 1.42 H new ATOM 0 HA TRP A 42 -9.775 -1.109 -4.521 1.00 41.25 H new ATOM 0 HB2 TRP A 42 -7.037 -1.921 -3.427 1.00 54.31 H new ATOM 0 HB3 TRP A 42 -8.216 -0.956 -2.559 1.00 54.31 H new ATOM 0 HD1 TRP A 42 -9.277 -4.123 -4.519 1.00 33.32 H new ATOM 0 HE1 TRP A 42 -10.128 -5.910 -2.861 1.00 32.45 H new ATOM 0 HE3 TRP A 42 -8.070 -1.738 -0.166 1.00 60.20 H new ATOM 0 HZ2 TRP A 42 -10.246 -6.222 -0.074 1.00 75.54 H new ATOM 0 HZ3 TRP A 42 -8.576 -2.859 1.969 1.00 61.12 H new ATOM 0 HH2 TRP A 42 -9.655 -5.068 2.010 1.00 72.11 H new ATOM 653 N GLU A 43 -8.239 1.091 -4.242 1.00 32.54 N ATOM 654 CA GLU A 43 -7.625 2.406 -4.489 1.00 0.24 C ATOM 655 C GLU A 43 -6.804 2.875 -3.272 1.00 42.24 C ATOM 656 O GLU A 43 -7.360 3.181 -2.216 1.00 12.11 O ATOM 657 CB GLU A 43 -8.708 3.450 -4.808 1.00 71.24 C ATOM 658 CG GLU A 43 -8.151 4.846 -5.101 1.00 31.43 C ATOM 659 CD GLU A 43 -9.231 5.916 -5.195 1.00 32.33 C ATOM 660 OE1 GLU A 43 -9.999 5.914 -6.180 1.00 32.22 O ATOM 661 OE2 GLU A 43 -9.311 6.774 -4.290 1.00 63.31 O ATOM 0 H GLU A 43 -8.822 1.055 -3.406 1.00 32.54 H new ATOM 0 HA GLU A 43 -6.955 2.304 -5.343 1.00 0.24 H new ATOM 0 HB2 GLU A 43 -9.285 3.111 -5.668 1.00 71.24 H new ATOM 0 HB3 GLU A 43 -9.398 3.513 -3.967 1.00 71.24 H new ATOM 0 HG2 GLU A 43 -7.445 5.120 -4.317 1.00 31.43 H new ATOM 0 HG3 GLU A 43 -7.594 4.818 -6.037 1.00 31.43 H new ATOM 668 N MET A 44 -5.482 2.926 -3.415 1.00 22.11 N ATOM 669 CA MET A 44 -4.614 3.405 -2.330 1.00 23.12 C ATOM 670 C MET A 44 -4.130 4.836 -2.595 1.00 62.33 C ATOM 671 O MET A 44 -3.486 5.105 -3.607 1.00 3.20 O ATOM 672 CB MET A 44 -3.408 2.476 -2.150 1.00 44.40 C ATOM 673 CG MET A 44 -2.478 2.899 -1.018 1.00 30.33 C ATOM 674 SD MET A 44 -1.091 1.769 -0.789 1.00 23.41 S ATOM 675 CE MET A 44 -0.251 1.930 -2.364 1.00 61.32 C ATOM 0 H MET A 44 -4.987 2.645 -4.262 1.00 22.11 H new ATOM 0 HA MET A 44 -5.205 3.404 -1.414 1.00 23.12 H new ATOM 0 HB2 MET A 44 -3.764 1.464 -1.958 1.00 44.40 H new ATOM 0 HB3 MET A 44 -2.842 2.443 -3.081 1.00 44.40 H new ATOM 0 HG2 MET A 44 -2.095 3.899 -1.223 1.00 30.33 H new ATOM 0 HG3 MET A 44 -3.047 2.960 -0.090 1.00 30.33 H new ATOM 0 HE1 MET A 44 -0.383 1.015 -2.942 1.00 61.32 H new ATOM 0 HE2 MET A 44 -0.670 2.771 -2.916 1.00 61.32 H new ATOM 0 HE3 MET A 44 0.812 2.101 -2.194 1.00 61.32 H new ATOM 685 N ILE A 45 -4.443 5.744 -1.677 1.00 61.22 N ATOM 686 CA ILE A 45 -4.012 7.142 -1.778 1.00 32.44 C ATOM 687 C ILE A 45 -2.854 7.425 -0.809 1.00 22.21 C ATOM 688 O ILE A 45 -2.753 6.805 0.246 1.00 0.13 O ATOM 689 CB ILE A 45 -5.185 8.109 -1.461 1.00 12.31 C ATOM 690 CG1 ILE A 45 -6.405 7.788 -2.344 1.00 15.54 C ATOM 691 CG2 ILE A 45 -4.757 9.568 -1.643 1.00 64.04 C ATOM 692 CD1 ILE A 45 -7.621 8.640 -2.033 1.00 23.14 C ATOM 0 H ILE A 45 -4.998 5.539 -0.846 1.00 61.22 H new ATOM 0 HA ILE A 45 -3.677 7.308 -2.802 1.00 32.44 H new ATOM 0 HB ILE A 45 -5.467 7.967 -0.418 1.00 12.31 H new ATOM 0 HG12 ILE A 45 -6.132 7.927 -3.390 1.00 15.54 H new ATOM 0 HG13 ILE A 45 -6.667 6.737 -2.220 1.00 15.54 H new ATOM 0 HG21 ILE A 45 -5.597 10.225 -1.415 1.00 64.04 H new ATOM 0 HG22 ILE A 45 -3.929 9.791 -0.970 1.00 64.04 H new ATOM 0 HG23 ILE A 45 -4.441 9.728 -2.674 1.00 64.04 H new ATOM 0 HD11 ILE A 45 -8.441 8.358 -2.693 1.00 23.14 H new ATOM 0 HD12 ILE A 45 -7.920 8.483 -0.996 1.00 23.14 H new ATOM 0 HD13 ILE A 45 -7.377 9.691 -2.185 1.00 23.14 H new ATOM 704 N ARG A 46 -1.973 8.353 -1.166 1.00 3.25 N ATOM 705 CA ARG A 46 -0.880 8.749 -0.276 1.00 22.44 C ATOM 706 C ARG A 46 -0.733 10.278 -0.236 1.00 32.32 C ATOM 707 O ARG A 46 -0.248 10.891 -1.189 1.00 43.12 O ATOM 708 CB ARG A 46 0.447 8.114 -0.718 1.00 22.43 C ATOM 709 CG ARG A 46 1.513 8.119 0.374 1.00 41.54 C ATOM 710 CD ARG A 46 2.897 7.769 -0.169 1.00 20.11 C ATOM 711 NE ARG A 46 3.504 8.893 -0.881 1.00 20.44 N ATOM 712 CZ ARG A 46 3.814 8.887 -2.149 1.00 4.04 C ATOM 713 NH1 ARG A 46 3.615 7.835 -2.877 1.00 23.23 N ATOM 714 NH2 ARG A 46 4.340 9.934 -2.692 1.00 11.45 N ATOM 0 H ARG A 46 -1.991 8.845 -2.060 1.00 3.25 H new ATOM 0 HA ARG A 46 -1.125 8.391 0.724 1.00 22.44 H new ATOM 0 HB2 ARG A 46 0.263 7.086 -1.032 1.00 22.43 H new ATOM 0 HB3 ARG A 46 0.826 8.650 -1.588 1.00 22.43 H new ATOM 0 HG2 ARG A 46 1.546 9.103 0.842 1.00 41.54 H new ATOM 0 HG3 ARG A 46 1.238 7.405 1.151 1.00 41.54 H new ATOM 0 HD2 ARG A 46 3.545 7.469 0.655 1.00 20.11 H new ATOM 0 HD3 ARG A 46 2.818 6.914 -0.840 1.00 20.11 H new ATOM 0 HE ARG A 46 3.699 9.741 -0.349 1.00 20.44 H new ATOM 0 HH11 ARG A 46 3.211 6.996 -2.461 1.00 23.23 H new ATOM 0 HH12 ARG A 46 3.862 7.845 -3.867 1.00 23.23 H new ATOM 0 HH21 ARG A 46 4.514 10.767 -2.130 1.00 11.45 H new ATOM 0 HH22 ARG A 46 4.582 9.928 -3.683 1.00 11.45 H new ATOM 728 N LYS A 47 -1.167 10.887 0.864 1.00 5.13 N ATOM 729 CA LYS A 47 -1.038 12.335 1.054 1.00 33.23 C ATOM 730 C LYS A 47 0.309 12.678 1.703 1.00 65.42 C ATOM 731 O LYS A 47 0.600 12.236 2.813 1.00 14.32 O ATOM 732 CB LYS A 47 -2.195 12.864 1.916 1.00 71.14 C ATOM 733 CG LYS A 47 -3.562 12.716 1.256 1.00 15.00 C ATOM 734 CD LYS A 47 -4.684 13.277 2.126 1.00 1.55 C ATOM 735 CE LYS A 47 -6.021 13.267 1.391 1.00 64.22 C ATOM 736 NZ LYS A 47 -7.121 13.813 2.229 1.00 52.14 N ATOM 0 H LYS A 47 -1.613 10.401 1.642 1.00 5.13 H new ATOM 0 HA LYS A 47 -1.081 12.815 0.076 1.00 33.23 H new ATOM 0 HB2 LYS A 47 -2.201 12.333 2.868 1.00 71.14 H new ATOM 0 HB3 LYS A 47 -2.020 13.917 2.139 1.00 71.14 H new ATOM 0 HG2 LYS A 47 -3.558 13.230 0.295 1.00 15.00 H new ATOM 0 HG3 LYS A 47 -3.754 11.662 1.053 1.00 15.00 H new ATOM 0 HD2 LYS A 47 -4.766 12.689 3.040 1.00 1.55 H new ATOM 0 HD3 LYS A 47 -4.439 14.296 2.424 1.00 1.55 H new ATOM 0 HE2 LYS A 47 -5.936 13.854 0.476 1.00 64.22 H new ATOM 0 HE3 LYS A 47 -6.264 12.247 1.094 1.00 64.22 H new ATOM 0 HZ1 LYS A 47 -8.011 13.788 1.692 1.00 52.14 H new ATOM 0 HZ2 LYS A 47 -7.220 13.238 3.090 1.00 52.14 H new ATOM 0 HZ3 LYS A 47 -6.902 14.795 2.492 1.00 52.14 H new ATOM 750 N ILE A 48 1.131 13.455 1.002 1.00 31.35 N ATOM 751 CA ILE A 48 2.467 13.808 1.494 1.00 34.24 C ATOM 752 C ILE A 48 2.966 15.128 0.884 1.00 21.11 C ATOM 753 O ILE A 48 3.431 15.163 -0.258 1.00 73.11 O ATOM 754 CB ILE A 48 3.489 12.668 1.208 1.00 62.44 C ATOM 755 CG1 ILE A 48 4.918 13.093 1.608 1.00 21.33 C ATOM 756 CG2 ILE A 48 3.433 12.241 -0.260 1.00 72.15 C ATOM 757 CD1 ILE A 48 5.968 12.019 1.388 1.00 64.12 C ATOM 0 H ILE A 48 0.899 13.854 0.092 1.00 31.35 H new ATOM 0 HA ILE A 48 2.385 13.942 2.573 1.00 34.24 H new ATOM 0 HB ILE A 48 3.214 11.808 1.818 1.00 62.44 H new ATOM 0 HG12 ILE A 48 5.195 13.979 1.037 1.00 21.33 H new ATOM 0 HG13 ILE A 48 4.920 13.378 2.660 1.00 21.33 H new ATOM 0 HG21 ILE A 48 4.156 11.444 -0.435 1.00 72.15 H new ATOM 0 HG22 ILE A 48 2.432 11.881 -0.496 1.00 72.15 H new ATOM 0 HG23 ILE A 48 3.672 13.093 -0.896 1.00 72.15 H new ATOM 0 HD11 ILE A 48 6.944 12.396 1.693 1.00 64.12 H new ATOM 0 HD12 ILE A 48 5.718 11.139 1.980 1.00 64.12 H new ATOM 0 HD13 ILE A 48 5.997 11.750 0.332 1.00 64.12 H new ATOM 769 N GLY A 49 2.847 16.212 1.648 1.00 50.42 N ATOM 770 CA GLY A 49 3.329 17.516 1.203 1.00 14.01 C ATOM 771 C GLY A 49 2.689 18.009 -0.097 1.00 41.23 C ATOM 772 O GLY A 49 3.159 17.673 -1.189 1.00 44.22 O ATOM 0 H GLY A 49 2.422 16.213 2.575 1.00 50.42 H new ATOM 0 HA2 GLY A 49 3.141 18.248 1.988 1.00 14.01 H new ATOM 0 HA3 GLY A 49 4.409 17.465 1.067 1.00 14.01 H new ATOM 776 N ASP A 50 1.614 18.801 0.022 1.00 44.22 N ATOM 777 CA ASP A 50 0.967 19.452 -1.134 1.00 12.34 C ATOM 778 C ASP A 50 0.100 18.483 -1.967 1.00 33.35 C ATOM 779 O ASP A 50 -1.102 18.701 -2.135 1.00 70.02 O ATOM 780 CB ASP A 50 2.027 20.132 -2.023 1.00 33.23 C ATOM 781 CG ASP A 50 1.435 20.795 -3.254 1.00 71.21 C ATOM 782 OD1 ASP A 50 0.945 21.937 -3.141 1.00 20.45 O ATOM 783 OD2 ASP A 50 1.466 20.181 -4.343 1.00 44.22 O ATOM 0 H ASP A 50 1.168 19.010 0.915 1.00 44.22 H new ATOM 0 HA ASP A 50 0.289 20.206 -0.734 1.00 12.34 H new ATOM 0 HB2 ASP A 50 2.560 20.880 -1.436 1.00 33.23 H new ATOM 0 HB3 ASP A 50 2.761 19.389 -2.335 1.00 33.23 H new ATOM 788 N THR A 51 0.703 17.418 -2.490 1.00 13.15 N ATOM 789 CA THR A 51 0.007 16.517 -3.424 1.00 42.33 C ATOM 790 C THR A 51 -0.424 15.196 -2.769 1.00 10.03 C ATOM 791 O THR A 51 0.054 14.824 -1.696 1.00 2.01 O ATOM 792 CB THR A 51 0.885 16.202 -4.662 1.00 13.41 C ATOM 793 OG1 THR A 51 0.112 15.514 -5.660 1.00 33.10 O ATOM 794 CG2 THR A 51 2.096 15.352 -4.285 1.00 63.34 C ATOM 0 H THR A 51 1.667 17.153 -2.288 1.00 13.15 H new ATOM 0 HA THR A 51 -0.891 17.051 -3.734 1.00 42.33 H new ATOM 0 HB THR A 51 1.240 17.151 -5.063 1.00 13.41 H new ATOM 0 HG1 THR A 51 0.677 15.322 -6.437 1.00 33.10 H new ATOM 0 HG21 THR A 51 2.690 15.150 -5.176 1.00 63.34 H new ATOM 0 HG22 THR A 51 2.705 15.889 -3.557 1.00 63.34 H new ATOM 0 HG23 THR A 51 1.759 14.410 -3.852 1.00 63.34 H new ATOM 802 N SER A 52 -1.340 14.494 -3.435 1.00 74.23 N ATOM 803 CA SER A 52 -1.810 13.178 -2.982 1.00 73.41 C ATOM 804 C SER A 52 -1.941 12.211 -4.168 1.00 21.45 C ATOM 805 O SER A 52 -2.871 12.316 -4.968 1.00 73.01 O ATOM 806 CB SER A 52 -3.160 13.302 -2.257 1.00 20.32 C ATOM 807 OG SER A 52 -4.162 13.868 -3.093 1.00 4.51 O ATOM 0 H SER A 52 -1.777 14.816 -4.299 1.00 74.23 H new ATOM 0 HA SER A 52 -1.073 12.781 -2.284 1.00 73.41 H new ATOM 0 HB2 SER A 52 -3.483 12.317 -1.920 1.00 20.32 H new ATOM 0 HB3 SER A 52 -3.039 13.920 -1.367 1.00 20.32 H new ATOM 0 HG SER A 52 -4.016 13.581 -4.019 1.00 4.51 H new ATOM 813 N VAL A 53 -1.005 11.275 -4.278 1.00 62.14 N ATOM 814 CA VAL A 53 -0.986 10.319 -5.394 1.00 42.31 C ATOM 815 C VAL A 53 -1.744 9.028 -5.041 1.00 23.42 C ATOM 816 O VAL A 53 -1.741 8.592 -3.889 1.00 14.43 O ATOM 817 CB VAL A 53 0.473 9.981 -5.798 1.00 42.40 C ATOM 818 CG1 VAL A 53 1.241 9.399 -4.612 1.00 42.35 C ATOM 819 CG2 VAL A 53 0.511 9.030 -6.997 1.00 63.42 C ATOM 0 H VAL A 53 -0.245 11.153 -3.609 1.00 62.14 H new ATOM 0 HA VAL A 53 -1.490 10.790 -6.238 1.00 42.31 H new ATOM 0 HB VAL A 53 0.962 10.908 -6.098 1.00 42.40 H new ATOM 0 HG11 VAL A 53 2.262 9.169 -4.917 1.00 42.35 H new ATOM 0 HG12 VAL A 53 1.260 10.125 -3.799 1.00 42.35 H new ATOM 0 HG13 VAL A 53 0.750 8.487 -4.272 1.00 42.35 H new ATOM 0 HG21 VAL A 53 1.547 8.812 -7.256 1.00 63.42 H new ATOM 0 HG22 VAL A 53 -0.002 8.103 -6.742 1.00 63.42 H new ATOM 0 HG23 VAL A 53 0.015 9.497 -7.848 1.00 63.42 H new ATOM 829 N SER A 54 -2.396 8.421 -6.035 1.00 73.43 N ATOM 830 CA SER A 54 -3.175 7.189 -5.823 1.00 54.14 C ATOM 831 C SER A 54 -2.694 6.047 -6.732 1.00 50.21 C ATOM 832 O SER A 54 -2.041 6.275 -7.754 1.00 74.35 O ATOM 833 CB SER A 54 -4.673 7.447 -6.064 1.00 73.12 C ATOM 834 OG SER A 54 -4.917 7.914 -7.385 1.00 63.50 O ATOM 0 H SER A 54 -2.403 8.759 -6.997 1.00 73.43 H new ATOM 0 HA SER A 54 -3.022 6.886 -4.787 1.00 54.14 H new ATOM 0 HB2 SER A 54 -5.233 6.528 -5.893 1.00 73.12 H new ATOM 0 HB3 SER A 54 -5.037 8.181 -5.345 1.00 73.12 H new ATOM 0 HG SER A 54 -5.877 8.066 -7.506 1.00 63.50 H new ATOM 840 N TYR A 55 -3.015 4.812 -6.343 1.00 52.52 N ATOM 841 CA TYR A 55 -2.652 3.618 -7.120 1.00 63.33 C ATOM 842 C TYR A 55 -3.811 2.608 -7.143 1.00 23.21 C ATOM 843 O TYR A 55 -4.406 2.309 -6.106 1.00 64.22 O ATOM 844 CB TYR A 55 -1.400 2.957 -6.522 1.00 32.51 C ATOM 845 CG TYR A 55 -0.860 1.793 -7.338 1.00 1.23 C ATOM 846 CD1 TYR A 55 -0.154 2.017 -8.515 1.00 12.21 C ATOM 847 CD2 TYR A 55 -1.040 0.474 -6.923 1.00 30.02 C ATOM 848 CE1 TYR A 55 0.354 0.967 -9.256 1.00 1.35 C ATOM 849 CE2 TYR A 55 -0.536 -0.581 -7.663 1.00 44.42 C ATOM 850 CZ TYR A 55 0.163 -0.328 -8.827 1.00 41.23 C ATOM 851 OH TYR A 55 0.674 -1.377 -9.562 1.00 15.35 O ATOM 0 H TYR A 55 -3.530 4.608 -5.487 1.00 52.52 H new ATOM 0 HA TYR A 55 -2.441 3.929 -8.143 1.00 63.33 H new ATOM 0 HB2 TYR A 55 -0.618 3.710 -6.422 1.00 32.51 H new ATOM 0 HB3 TYR A 55 -1.634 2.605 -5.517 1.00 32.51 H new ATOM 0 HD1 TYR A 55 0.000 3.030 -8.856 1.00 12.21 H new ATOM 0 HD2 TYR A 55 -1.581 0.273 -6.010 1.00 30.02 H new ATOM 0 HE1 TYR A 55 0.899 1.161 -10.168 1.00 1.35 H new ATOM 0 HE2 TYR A 55 -0.689 -1.598 -7.332 1.00 44.42 H new ATOM 0 HH TYR A 55 1.615 -1.201 -9.773 1.00 15.35 H new ATOM 861 N LYS A 56 -4.121 2.078 -8.325 1.00 25.52 N ATOM 862 CA LYS A 56 -5.228 1.127 -8.484 1.00 41.20 C ATOM 863 C LYS A 56 -4.725 -0.321 -8.570 1.00 72.44 C ATOM 864 O LYS A 56 -3.827 -0.638 -9.354 1.00 11.52 O ATOM 865 CB LYS A 56 -6.041 1.478 -9.736 1.00 72.11 C ATOM 866 CG LYS A 56 -7.237 0.558 -9.990 1.00 11.33 C ATOM 867 CD LYS A 56 -8.062 1.022 -11.191 1.00 72.01 C ATOM 868 CE LYS A 56 -7.246 1.040 -12.480 1.00 10.32 C ATOM 869 NZ LYS A 56 -8.021 1.594 -13.623 1.00 24.23 N ATOM 0 H LYS A 56 -3.623 2.289 -9.190 1.00 25.52 H new ATOM 0 HA LYS A 56 -5.864 1.204 -7.602 1.00 41.20 H new ATOM 0 HB2 LYS A 56 -6.399 2.504 -9.646 1.00 72.11 H new ATOM 0 HB3 LYS A 56 -5.382 1.445 -10.604 1.00 72.11 H new ATOM 0 HG2 LYS A 56 -6.884 -0.459 -10.162 1.00 11.33 H new ATOM 0 HG3 LYS A 56 -7.870 0.530 -9.103 1.00 11.33 H new ATOM 0 HD2 LYS A 56 -8.921 0.362 -11.316 1.00 72.01 H new ATOM 0 HD3 LYS A 56 -8.453 2.021 -10.997 1.00 72.01 H new ATOM 0 HE2 LYS A 56 -6.345 1.635 -12.330 1.00 10.32 H new ATOM 0 HE3 LYS A 56 -6.923 0.027 -12.718 1.00 10.32 H new ATOM 0 HZ1 LYS A 56 -7.430 1.588 -14.479 1.00 24.23 H new ATOM 0 HZ2 LYS A 56 -8.868 1.012 -13.783 1.00 24.23 H new ATOM 0 HZ3 LYS A 56 -8.308 2.570 -13.407 1.00 24.23 H new ATOM 883 N TYR A 57 -5.322 -1.195 -7.765 1.00 15.35 N ATOM 884 CA TYR A 57 -4.934 -2.609 -7.719 1.00 62.44 C ATOM 885 C TYR A 57 -5.712 -3.452 -8.745 1.00 35.01 C ATOM 886 O TYR A 57 -6.645 -2.965 -9.389 1.00 72.34 O ATOM 887 CB TYR A 57 -5.156 -3.163 -6.306 1.00 50.43 C ATOM 888 CG TYR A 57 -4.272 -2.518 -5.253 1.00 23.25 C ATOM 889 CD1 TYR A 57 -4.580 -1.268 -4.721 1.00 50.44 C ATOM 890 CD2 TYR A 57 -3.128 -3.160 -4.789 1.00 42.52 C ATOM 891 CE1 TYR A 57 -3.771 -0.680 -3.767 1.00 60.13 C ATOM 892 CE2 TYR A 57 -2.317 -2.576 -3.838 1.00 4.42 C ATOM 893 CZ TYR A 57 -2.642 -1.340 -3.328 1.00 51.34 C ATOM 894 OH TYR A 57 -1.828 -0.759 -2.384 1.00 52.13 O ATOM 0 H TYR A 57 -6.082 -0.951 -7.130 1.00 15.35 H new ATOM 0 HA TYR A 57 -3.877 -2.673 -7.977 1.00 62.44 H new ATOM 0 HB2 TYR A 57 -6.200 -3.020 -6.029 1.00 50.43 H new ATOM 0 HB3 TYR A 57 -4.973 -4.237 -6.313 1.00 50.43 H new ATOM 0 HD1 TYR A 57 -5.465 -0.750 -5.059 1.00 50.44 H new ATOM 0 HD2 TYR A 57 -2.870 -4.133 -5.180 1.00 42.52 H new ATOM 0 HE1 TYR A 57 -4.022 0.291 -3.367 1.00 60.13 H new ATOM 0 HE2 TYR A 57 -1.430 -3.087 -3.495 1.00 4.42 H new ATOM 0 HH TYR A 57 -2.188 0.119 -2.138 1.00 52.13 H new ATOM 904 N THR A 58 -5.327 -4.723 -8.883 1.00 23.35 N ATOM 905 CA THR A 58 -5.959 -5.631 -9.856 1.00 3.10 C ATOM 906 C THR A 58 -5.937 -7.093 -9.382 1.00 34.43 C ATOM 907 O THR A 58 -5.062 -7.498 -8.614 1.00 75.12 O ATOM 908 CB THR A 58 -5.272 -5.548 -11.240 1.00 43.23 C ATOM 909 OG1 THR A 58 -5.811 -6.544 -12.121 1.00 34.42 O ATOM 910 CG2 THR A 58 -3.760 -5.728 -11.119 1.00 35.52 C ATOM 0 H THR A 58 -4.581 -5.151 -8.335 1.00 23.35 H new ATOM 0 HA THR A 58 -6.995 -5.303 -9.943 1.00 3.10 H new ATOM 0 HB THR A 58 -5.467 -4.558 -11.651 1.00 43.23 H new ATOM 0 HG1 THR A 58 -5.370 -6.481 -12.994 1.00 34.42 H new ATOM 0 HG21 THR A 58 -3.306 -5.665 -12.108 1.00 35.52 H new ATOM 0 HG22 THR A 58 -3.350 -4.945 -10.481 1.00 35.52 H new ATOM 0 HG23 THR A 58 -3.543 -6.703 -10.682 1.00 35.52 H new ATOM 918 N SER A 59 -6.898 -7.885 -9.862 1.00 31.14 N ATOM 919 CA SER A 59 -7.036 -9.299 -9.465 1.00 13.11 C ATOM 920 C SER A 59 -6.164 -10.225 -10.328 1.00 32.02 C ATOM 921 O SER A 59 -6.674 -11.076 -11.062 1.00 53.53 O ATOM 922 CB SER A 59 -8.509 -9.740 -9.561 1.00 35.00 C ATOM 923 OG SER A 59 -8.662 -11.122 -9.274 1.00 2.43 O ATOM 0 H SER A 59 -7.601 -7.573 -10.532 1.00 31.14 H new ATOM 0 HA SER A 59 -6.695 -9.380 -8.433 1.00 13.11 H new ATOM 0 HB2 SER A 59 -9.110 -9.155 -8.865 1.00 35.00 H new ATOM 0 HB3 SER A 59 -8.887 -9.532 -10.562 1.00 35.00 H new ATOM 0 HG SER A 59 -8.172 -11.650 -9.938 1.00 2.43 H new ATOM 929 N ARG A 60 -4.844 -10.062 -10.238 1.00 15.41 N ATOM 930 CA ARG A 60 -3.915 -10.898 -11.014 1.00 32.35 C ATOM 931 C ARG A 60 -3.195 -11.931 -10.124 1.00 12.03 C ATOM 932 O ARG A 60 -2.401 -12.742 -10.613 1.00 64.11 O ATOM 933 CB ARG A 60 -2.882 -10.023 -11.745 1.00 74.22 C ATOM 934 CG ARG A 60 -1.887 -9.323 -10.826 1.00 50.43 C ATOM 935 CD ARG A 60 -0.831 -8.549 -11.611 1.00 31.22 C ATOM 936 NE ARG A 60 -1.411 -7.461 -12.398 1.00 72.03 N ATOM 937 CZ ARG A 60 -0.724 -6.465 -12.896 1.00 10.32 C ATOM 938 NH1 ARG A 60 0.564 -6.426 -12.788 1.00 25.31 N ATOM 939 NH2 ARG A 60 -1.323 -5.517 -13.533 1.00 22.02 N ATOM 0 H ARG A 60 -4.393 -9.367 -9.643 1.00 15.41 H new ATOM 0 HA ARG A 60 -4.507 -11.443 -11.749 1.00 32.35 H new ATOM 0 HB2 ARG A 60 -2.331 -10.645 -12.450 1.00 74.22 H new ATOM 0 HB3 ARG A 60 -3.410 -9.270 -12.329 1.00 74.22 H new ATOM 0 HG2 ARG A 60 -2.422 -8.640 -10.166 1.00 50.43 H new ATOM 0 HG3 ARG A 60 -1.398 -10.062 -10.191 1.00 50.43 H new ATOM 0 HD2 ARG A 60 -0.094 -8.141 -10.919 1.00 31.22 H new ATOM 0 HD3 ARG A 60 -0.302 -9.232 -12.275 1.00 31.22 H new ATOM 0 HE ARG A 60 -2.416 -7.480 -12.570 1.00 72.03 H new ATOM 0 HH11 ARG A 60 1.059 -7.179 -12.309 1.00 25.31 H new ATOM 0 HH12 ARG A 60 1.085 -5.643 -13.182 1.00 25.31 H new ATOM 0 HH21 ARG A 60 -2.336 -5.542 -13.650 1.00 22.02 H new ATOM 0 HH22 ARG A 60 -0.784 -4.742 -13.920 1.00 22.02 H new ATOM 953 N TYR A 61 -3.477 -11.904 -8.824 1.00 21.10 N ATOM 954 CA TYR A 61 -2.845 -12.825 -7.867 1.00 61.02 C ATOM 955 C TYR A 61 -3.732 -13.027 -6.629 1.00 52.20 C ATOM 956 O TYR A 61 -4.464 -12.121 -6.225 1.00 30.34 O ATOM 957 CB TYR A 61 -1.467 -12.295 -7.439 1.00 2.40 C ATOM 958 CG TYR A 61 -1.521 -10.993 -6.653 1.00 61.42 C ATOM 959 CD1 TYR A 61 -1.725 -9.778 -7.297 1.00 63.25 C ATOM 960 CD2 TYR A 61 -1.369 -10.984 -5.269 1.00 63.24 C ATOM 961 CE1 TYR A 61 -1.779 -8.593 -6.587 1.00 34.51 C ATOM 962 CE2 TYR A 61 -1.425 -9.803 -4.554 1.00 73.13 C ATOM 963 CZ TYR A 61 -1.627 -8.611 -5.217 1.00 72.51 C ATOM 964 OH TYR A 61 -1.684 -7.433 -4.508 1.00 54.12 O ATOM 0 H TYR A 61 -4.141 -11.254 -8.402 1.00 21.10 H new ATOM 0 HA TYR A 61 -2.718 -13.787 -8.364 1.00 61.02 H new ATOM 0 HB2 TYR A 61 -0.970 -13.053 -6.833 1.00 2.40 H new ATOM 0 HB3 TYR A 61 -0.855 -12.145 -8.328 1.00 2.40 H new ATOM 0 HD1 TYR A 61 -1.843 -9.760 -8.370 1.00 63.25 H new ATOM 0 HD2 TYR A 61 -1.205 -11.915 -4.746 1.00 63.24 H new ATOM 0 HE1 TYR A 61 -1.939 -7.658 -7.103 1.00 34.51 H new ATOM 0 HE2 TYR A 61 -1.311 -9.813 -3.480 1.00 73.13 H new ATOM 0 HH TYR A 61 -2.616 -7.141 -4.433 1.00 54.12 H new ATOM 974 N VAL A 62 -3.666 -14.213 -6.028 1.00 35.21 N ATOM 975 CA VAL A 62 -4.440 -14.511 -4.817 1.00 62.52 C ATOM 976 C VAL A 62 -3.584 -14.317 -3.553 1.00 64.11 C ATOM 977 O VAL A 62 -2.750 -15.163 -3.216 1.00 4.12 O ATOM 978 CB VAL A 62 -5.001 -15.956 -4.848 1.00 3.52 C ATOM 979 CG1 VAL A 62 -5.864 -16.228 -3.616 1.00 54.45 C ATOM 980 CG2 VAL A 62 -5.795 -16.197 -6.131 1.00 62.32 C ATOM 0 H VAL A 62 -3.086 -14.985 -6.357 1.00 35.21 H new ATOM 0 HA VAL A 62 -5.276 -13.812 -4.790 1.00 62.52 H new ATOM 0 HB VAL A 62 -4.161 -16.650 -4.832 1.00 3.52 H new ATOM 0 HG11 VAL A 62 -6.247 -17.247 -3.658 1.00 54.45 H new ATOM 0 HG12 VAL A 62 -5.262 -16.104 -2.716 1.00 54.45 H new ATOM 0 HG13 VAL A 62 -6.699 -15.527 -3.594 1.00 54.45 H new ATOM 0 HG21 VAL A 62 -6.181 -17.217 -6.134 1.00 62.32 H new ATOM 0 HG22 VAL A 62 -6.627 -15.494 -6.182 1.00 62.32 H new ATOM 0 HG23 VAL A 62 -5.145 -16.052 -6.994 1.00 62.32 H new ATOM 990 N LEU A 63 -3.791 -13.196 -2.862 1.00 63.14 N ATOM 991 CA LEU A 63 -3.010 -12.867 -1.664 1.00 22.51 C ATOM 992 C LEU A 63 -3.558 -13.618 -0.436 1.00 63.22 C ATOM 993 O LEU A 63 -4.644 -13.313 0.069 1.00 72.35 O ATOM 994 CB LEU A 63 -3.021 -11.340 -1.432 1.00 12.51 C ATOM 995 CG LEU A 63 -1.858 -10.762 -0.590 1.00 61.31 C ATOM 996 CD1 LEU A 63 -1.913 -11.238 0.858 1.00 43.51 C ATOM 997 CD2 LEU A 63 -0.507 -11.111 -1.218 1.00 64.30 C ATOM 0 H LEU A 63 -4.493 -12.498 -3.109 1.00 63.14 H new ATOM 0 HA LEU A 63 -1.979 -13.186 -1.815 1.00 22.51 H new ATOM 0 HB2 LEU A 63 -3.016 -10.847 -2.404 1.00 12.51 H new ATOM 0 HB3 LEU A 63 -3.959 -11.075 -0.945 1.00 12.51 H new ATOM 0 HG LEU A 63 -1.971 -9.678 -0.584 1.00 61.31 H new ATOM 0 HD11 LEU A 63 -1.079 -10.809 1.414 1.00 43.51 H new ATOM 0 HD12 LEU A 63 -2.852 -10.920 1.310 1.00 43.51 H new ATOM 0 HD13 LEU A 63 -1.847 -12.326 0.886 1.00 43.51 H new ATOM 0 HD21 LEU A 63 0.296 -10.695 -0.609 1.00 64.30 H new ATOM 0 HD22 LEU A 63 -0.399 -12.194 -1.269 1.00 64.30 H new ATOM 0 HD23 LEU A 63 -0.454 -10.693 -2.223 1.00 64.30 H new ATOM 1009 N LYS A 64 -2.797 -14.604 0.033 1.00 11.40 N ATOM 1010 CA LYS A 64 -3.185 -15.411 1.193 1.00 41.02 C ATOM 1011 C LYS A 64 -3.263 -14.576 2.481 1.00 73.31 C ATOM 1012 O LYS A 64 -2.421 -13.714 2.729 1.00 12.50 O ATOM 1013 CB LYS A 64 -2.191 -16.561 1.385 1.00 14.41 C ATOM 1014 CG LYS A 64 -2.197 -17.573 0.245 1.00 42.43 C ATOM 1015 CD LYS A 64 -1.229 -18.727 0.494 1.00 31.22 C ATOM 1016 CE LYS A 64 -1.491 -19.887 -0.460 1.00 1.52 C ATOM 1017 NZ LYS A 64 -2.843 -20.471 -0.248 1.00 24.24 N ATOM 0 H LYS A 64 -1.900 -14.867 -0.375 1.00 11.40 H new ATOM 0 HA LYS A 64 -4.181 -15.807 0.995 1.00 41.02 H new ATOM 0 HB2 LYS A 64 -1.187 -16.149 1.488 1.00 14.41 H new ATOM 0 HB3 LYS A 64 -2.421 -17.076 2.318 1.00 14.41 H new ATOM 0 HG2 LYS A 64 -3.205 -17.968 0.117 1.00 42.43 H new ATOM 0 HG3 LYS A 64 -1.930 -17.072 -0.685 1.00 42.43 H new ATOM 0 HD2 LYS A 64 -0.204 -18.377 0.371 1.00 31.22 H new ATOM 0 HD3 LYS A 64 -1.327 -19.071 1.524 1.00 31.22 H new ATOM 0 HE2 LYS A 64 -1.400 -19.541 -1.490 1.00 1.52 H new ATOM 0 HE3 LYS A 64 -0.734 -20.657 -0.315 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 -2.939 -21.338 -0.814 1.00 24.24 H new ATOM 0 HZ2 LYS A 64 -2.969 -20.699 0.759 1.00 24.24 H new ATOM 0 HZ3 LYS A 64 -3.567 -19.785 -0.541 1.00 24.24 H new ATOM 1031 N ALA A 65 -4.268 -14.859 3.306 1.00 2.00 N ATOM 1032 CA ALA A 65 -4.441 -14.172 4.589 1.00 44.54 C ATOM 1033 C ALA A 65 -3.236 -14.406 5.515 1.00 5.14 C ATOM 1034 O ALA A 65 -2.834 -15.546 5.751 1.00 44.24 O ATOM 1035 CB ALA A 65 -5.727 -14.641 5.261 1.00 61.04 C ATOM 0 H ALA A 65 -4.980 -15.563 3.110 1.00 2.00 H new ATOM 0 HA ALA A 65 -4.508 -13.101 4.396 1.00 44.54 H new ATOM 0 HB1 ALA A 65 -5.848 -14.126 6.214 1.00 61.04 H new ATOM 0 HB2 ALA A 65 -6.577 -14.417 4.616 1.00 61.04 H new ATOM 0 HB3 ALA A 65 -5.676 -15.716 5.434 1.00 61.04 H new ATOM 1041 N GLY A 66 -2.656 -13.324 6.026 1.00 0.34 N ATOM 1042 CA GLY A 66 -1.466 -13.430 6.865 1.00 71.44 C ATOM 1043 C GLY A 66 -0.186 -13.059 6.124 1.00 33.42 C ATOM 1044 O GLY A 66 0.856 -12.824 6.739 1.00 54.45 O ATOM 0 H GLY A 66 -2.987 -12.371 5.876 1.00 0.34 H new ATOM 0 HA2 GLY A 66 -1.580 -12.780 7.733 1.00 71.44 H new ATOM 0 HA3 GLY A 66 -1.381 -14.450 7.240 1.00 71.44 H new ATOM 1048 N GLN A 67 -0.264 -13.008 4.796 1.00 53.23 N ATOM 1049 CA GLN A 67 0.878 -12.624 3.960 1.00 21.44 C ATOM 1050 C GLN A 67 0.820 -11.130 3.609 1.00 75.41 C ATOM 1051 O GLN A 67 -0.202 -10.468 3.820 1.00 3.14 O ATOM 1052 CB GLN A 67 0.920 -13.475 2.677 1.00 24.21 C ATOM 1053 CG GLN A 67 1.472 -14.890 2.872 1.00 14.42 C ATOM 1054 CD GLN A 67 0.680 -15.741 3.862 1.00 13.45 C ATOM 1055 OE1 GLN A 67 1.230 -16.609 4.531 1.00 42.13 O ATOM 1056 NE2 GLN A 67 -0.613 -15.518 3.950 1.00 73.42 N ATOM 0 H GLN A 67 -1.110 -13.229 4.271 1.00 53.23 H new ATOM 0 HA GLN A 67 1.790 -12.807 4.528 1.00 21.44 H new ATOM 0 HB2 GLN A 67 -0.088 -13.545 2.269 1.00 24.21 H new ATOM 0 HB3 GLN A 67 1.529 -12.960 1.934 1.00 24.21 H new ATOM 0 HG2 GLN A 67 1.489 -15.397 1.907 1.00 14.42 H new ATOM 0 HG3 GLN A 67 2.504 -14.821 3.214 1.00 14.42 H new ATOM 0 HE21 GLN A 67 -1.045 -14.789 3.382 1.00 73.42 H new ATOM 0 HE22 GLN A 67 -1.184 -16.074 4.587 1.00 73.42 H new ATOM 1065 N THR A 68 1.915 -10.605 3.066 1.00 62.24 N ATOM 1066 CA THR A 68 2.033 -9.170 2.781 1.00 74.20 C ATOM 1067 C THR A 68 2.247 -8.892 1.289 1.00 10.54 C ATOM 1068 O THR A 68 2.405 -9.809 0.485 1.00 22.40 O ATOM 1069 CB THR A 68 3.214 -8.546 3.561 1.00 14.32 C ATOM 1070 OG1 THR A 68 4.451 -9.135 3.135 1.00 74.20 O ATOM 1071 CG2 THR A 68 3.050 -8.744 5.063 1.00 14.31 C ATOM 0 H THR A 68 2.739 -11.151 2.812 1.00 62.24 H new ATOM 0 HA THR A 68 1.091 -8.720 3.096 1.00 74.20 H new ATOM 0 HB THR A 68 3.224 -7.476 3.352 1.00 14.32 H new ATOM 0 HG1 THR A 68 4.964 -9.422 3.919 1.00 74.20 H new ATOM 0 HG21 THR A 68 3.896 -8.295 5.584 1.00 14.31 H new ATOM 0 HG22 THR A 68 2.126 -8.269 5.394 1.00 14.31 H new ATOM 0 HG23 THR A 68 3.011 -9.810 5.287 1.00 14.31 H new ATOM 1079 N VAL A 69 2.241 -7.611 0.928 1.00 23.34 N ATOM 1080 CA VAL A 69 2.531 -7.181 -0.440 1.00 3.31 C ATOM 1081 C VAL A 69 3.270 -5.832 -0.434 1.00 4.43 C ATOM 1082 O VAL A 69 2.836 -4.874 0.207 1.00 44.05 O ATOM 1083 CB VAL A 69 1.237 -7.079 -1.296 1.00 24.33 C ATOM 1084 CG1 VAL A 69 0.222 -6.131 -0.660 1.00 2.42 C ATOM 1085 CG2 VAL A 69 1.562 -6.647 -2.724 1.00 12.55 C ATOM 0 H VAL A 69 2.037 -6.845 1.570 1.00 23.34 H new ATOM 0 HA VAL A 69 3.172 -7.937 -0.893 1.00 3.31 H new ATOM 0 HB VAL A 69 0.786 -8.071 -1.333 1.00 24.33 H new ATOM 0 HG11 VAL A 69 -0.671 -6.082 -1.283 1.00 2.42 H new ATOM 0 HG12 VAL A 69 -0.047 -6.497 0.331 1.00 2.42 H new ATOM 0 HG13 VAL A 69 0.658 -5.136 -0.573 1.00 2.42 H new ATOM 0 HG21 VAL A 69 0.641 -6.583 -3.303 1.00 12.55 H new ATOM 0 HG22 VAL A 69 2.049 -5.672 -2.707 1.00 12.55 H new ATOM 0 HG23 VAL A 69 2.229 -7.378 -3.182 1.00 12.55 H new ATOM 1095 N THR A 70 4.402 -5.769 -1.129 1.00 31.35 N ATOM 1096 CA THR A 70 5.222 -4.551 -1.152 1.00 61.01 C ATOM 1097 C THR A 70 4.904 -3.668 -2.366 1.00 20.53 C ATOM 1098 O THR A 70 5.007 -4.106 -3.512 1.00 21.05 O ATOM 1099 CB THR A 70 6.736 -4.882 -1.161 1.00 51.14 C ATOM 1100 OG1 THR A 70 7.088 -5.645 0.003 1.00 33.32 O ATOM 1101 CG2 THR A 70 7.575 -3.610 -1.193 1.00 72.15 C ATOM 0 H THR A 70 4.775 -6.540 -1.683 1.00 31.35 H new ATOM 0 HA THR A 70 4.976 -4.006 -0.241 1.00 61.01 H new ATOM 0 HB THR A 70 6.941 -5.465 -2.059 1.00 51.14 H new ATOM 0 HG1 THR A 70 7.620 -5.089 0.610 1.00 33.32 H new ATOM 0 HG21 THR A 70 8.633 -3.872 -1.199 1.00 72.15 H new ATOM 0 HG22 THR A 70 7.337 -3.040 -2.091 1.00 72.15 H new ATOM 0 HG23 THR A 70 7.355 -3.007 -0.312 1.00 72.15 H new ATOM 1109 N ILE A 71 4.507 -2.426 -2.100 1.00 72.40 N ATOM 1110 CA ILE A 71 4.278 -1.437 -3.158 1.00 43.41 C ATOM 1111 C ILE A 71 5.553 -0.612 -3.407 1.00 31.11 C ATOM 1112 O ILE A 71 5.847 0.330 -2.671 1.00 25.35 O ATOM 1113 CB ILE A 71 3.113 -0.471 -2.799 1.00 14.22 C ATOM 1114 CG1 ILE A 71 1.875 -1.256 -2.327 1.00 65.11 C ATOM 1115 CG2 ILE A 71 2.769 0.424 -3.993 1.00 22.35 C ATOM 1116 CD1 ILE A 71 1.329 -2.226 -3.352 1.00 53.11 C ATOM 0 H ILE A 71 4.336 -2.076 -1.157 1.00 72.40 H new ATOM 0 HA ILE A 71 4.009 -1.987 -4.060 1.00 43.41 H new ATOM 0 HB ILE A 71 3.439 0.167 -1.977 1.00 14.22 H new ATOM 0 HG12 ILE A 71 2.131 -1.807 -1.422 1.00 65.11 H new ATOM 0 HG13 ILE A 71 1.090 -0.549 -2.058 1.00 65.11 H new ATOM 0 HG21 ILE A 71 1.952 1.093 -3.723 1.00 22.35 H new ATOM 0 HG22 ILE A 71 3.643 1.013 -4.270 1.00 22.35 H new ATOM 0 HG23 ILE A 71 2.467 -0.196 -4.837 1.00 22.35 H new ATOM 0 HD11 ILE A 71 0.459 -2.738 -2.941 1.00 53.11 H new ATOM 0 HD12 ILE A 71 1.039 -1.681 -4.250 1.00 53.11 H new ATOM 0 HD13 ILE A 71 2.096 -2.959 -3.604 1.00 53.11 H new ATOM 1128 N TRP A 72 6.326 -0.991 -4.420 1.00 4.20 N ATOM 1129 CA TRP A 72 7.576 -0.289 -4.748 1.00 62.14 C ATOM 1130 C TRP A 72 7.314 1.007 -5.528 1.00 2.34 C ATOM 1131 O TRP A 72 6.204 1.256 -5.980 1.00 4.22 O ATOM 1132 CB TRP A 72 8.496 -1.197 -5.576 1.00 72.53 C ATOM 1133 CG TRP A 72 8.981 -2.411 -4.838 1.00 30.44 C ATOM 1134 CD1 TRP A 72 8.345 -3.612 -4.732 1.00 61.32 C ATOM 1135 CD2 TRP A 72 10.208 -2.540 -4.109 1.00 32.32 C ATOM 1136 NE1 TRP A 72 9.100 -4.480 -3.983 1.00 52.03 N ATOM 1137 CE2 TRP A 72 10.248 -3.846 -3.589 1.00 52.20 C ATOM 1138 CE3 TRP A 72 11.275 -1.677 -3.849 1.00 10.01 C ATOM 1139 CZ2 TRP A 72 11.314 -4.311 -2.820 1.00 54.42 C ATOM 1140 CZ3 TRP A 72 12.334 -2.136 -3.087 1.00 73.40 C ATOM 1141 CH2 TRP A 72 12.348 -3.443 -2.582 1.00 74.33 C ATOM 0 H TRP A 72 6.114 -1.779 -5.032 1.00 4.20 H new ATOM 0 HA TRP A 72 8.058 -0.032 -3.805 1.00 62.14 H new ATOM 0 HB2 TRP A 72 7.963 -1.517 -6.471 1.00 72.53 H new ATOM 0 HB3 TRP A 72 9.358 -0.618 -5.908 1.00 72.53 H new ATOM 0 HD1 TRP A 72 7.387 -3.846 -5.173 1.00 61.32 H new ATOM 0 HE1 TRP A 72 8.847 -5.442 -3.757 1.00 52.03 H new ATOM 0 HE3 TRP A 72 11.273 -0.669 -4.236 1.00 10.01 H new ATOM 0 HZ2 TRP A 72 11.325 -5.317 -2.427 1.00 54.42 H new ATOM 0 HZ3 TRP A 72 13.163 -1.477 -2.878 1.00 73.40 H new ATOM 0 HH2 TRP A 72 13.191 -3.773 -1.993 1.00 74.33 H new ATOM 1152 N ALA A 73 8.344 1.831 -5.673 1.00 64.21 N ATOM 1153 CA ALA A 73 8.264 3.022 -6.528 1.00 51.22 C ATOM 1154 C ALA A 73 8.650 2.683 -7.980 1.00 1.12 C ATOM 1155 O ALA A 73 9.276 1.654 -8.240 1.00 61.03 O ATOM 1156 CB ALA A 73 9.159 4.127 -5.980 1.00 25.14 C ATOM 0 H ALA A 73 9.245 1.702 -5.213 1.00 64.21 H new ATOM 0 HA ALA A 73 7.233 3.376 -6.527 1.00 51.22 H new ATOM 0 HB1 ALA A 73 9.090 5.004 -6.624 1.00 25.14 H new ATOM 0 HB2 ALA A 73 8.837 4.390 -4.972 1.00 25.14 H new ATOM 0 HB3 ALA A 73 10.191 3.778 -5.951 1.00 25.14 H new ATOM 1162 N ALA A 74 8.288 3.557 -8.923 1.00 12.51 N ATOM 1163 CA ALA A 74 8.543 3.316 -10.356 1.00 45.02 C ATOM 1164 C ALA A 74 10.017 2.988 -10.661 1.00 42.42 C ATOM 1165 O ALA A 74 10.311 2.238 -11.595 1.00 73.35 O ATOM 1166 CB ALA A 74 8.094 4.520 -11.178 1.00 25.21 C ATOM 0 H ALA A 74 7.817 4.440 -8.725 1.00 12.51 H new ATOM 0 HA ALA A 74 7.961 2.437 -10.635 1.00 45.02 H new ATOM 0 HB1 ALA A 74 8.287 4.332 -12.234 1.00 25.21 H new ATOM 0 HB2 ALA A 74 7.027 4.686 -11.028 1.00 25.21 H new ATOM 0 HB3 ALA A 74 8.647 5.404 -10.860 1.00 25.21 H new ATOM 1172 N ASN A 75 10.939 3.536 -9.867 1.00 55.55 N ATOM 1173 CA ASN A 75 12.381 3.361 -10.113 1.00 43.35 C ATOM 1174 C ASN A 75 12.992 2.243 -9.251 1.00 33.43 C ATOM 1175 O ASN A 75 14.212 2.188 -9.077 1.00 35.32 O ATOM 1176 CB ASN A 75 13.129 4.670 -9.838 1.00 52.31 C ATOM 1177 CG ASN A 75 12.578 5.850 -10.616 1.00 42.20 C ATOM 1178 OD1 ASN A 75 11.959 5.698 -11.662 1.00 23.25 O ATOM 1179 ND2 ASN A 75 12.818 7.043 -10.117 1.00 14.20 N ATOM 0 H ASN A 75 10.719 4.104 -9.049 1.00 55.55 H new ATOM 0 HA ASN A 75 12.489 3.077 -11.160 1.00 43.35 H new ATOM 0 HB2 ASN A 75 13.080 4.892 -8.772 1.00 52.31 H new ATOM 0 HB3 ASN A 75 14.182 4.538 -10.088 1.00 52.31 H new ATOM 0 HD21 ASN A 75 12.486 7.876 -10.603 1.00 14.20 H new ATOM 0 HD22 ASN A 75 13.337 7.136 -9.244 1.00 14.20 H new ATOM 1186 N ALA A 76 12.149 1.346 -8.738 1.00 34.33 N ATOM 1187 CA ALA A 76 12.600 0.272 -7.842 1.00 24.02 C ATOM 1188 C ALA A 76 13.760 -0.548 -8.437 1.00 43.32 C ATOM 1189 O ALA A 76 14.762 -0.803 -7.763 1.00 31.34 O ATOM 1190 CB ALA A 76 11.435 -0.649 -7.502 1.00 0.12 C ATOM 0 H ALA A 76 11.147 1.339 -8.926 1.00 34.33 H new ATOM 0 HA ALA A 76 12.973 0.748 -6.936 1.00 24.02 H new ATOM 0 HB1 ALA A 76 11.780 -1.441 -6.838 1.00 0.12 H new ATOM 0 HB2 ALA A 76 10.651 -0.076 -7.007 1.00 0.12 H new ATOM 0 HB3 ALA A 76 11.040 -1.089 -8.418 1.00 0.12 H new ATOM 1196 N GLY A 77 13.617 -0.965 -9.697 1.00 0.34 N ATOM 1197 CA GLY A 77 14.649 -1.770 -10.351 1.00 11.51 C ATOM 1198 C GLY A 77 14.466 -3.269 -10.120 1.00 33.55 C ATOM 1199 O GLY A 77 15.313 -4.075 -10.511 1.00 11.44 O ATOM 0 H GLY A 77 12.805 -0.761 -10.279 1.00 0.34 H new ATOM 0 HA2 GLY A 77 14.636 -1.568 -11.422 1.00 11.51 H new ATOM 0 HA3 GLY A 77 15.628 -1.467 -9.981 1.00 11.51 H new ATOM 1203 N VAL A 78 13.359 -3.636 -9.482 1.00 44.55 N ATOM 1204 CA VAL A 78 13.042 -5.043 -9.205 1.00 55.44 C ATOM 1205 C VAL A 78 12.232 -5.665 -10.355 1.00 62.11 C ATOM 1206 O VAL A 78 12.188 -5.115 -11.459 1.00 64.01 O ATOM 1207 CB VAL A 78 12.246 -5.179 -7.879 1.00 11.52 C ATOM 1208 CG1 VAL A 78 13.071 -4.664 -6.701 1.00 21.34 C ATOM 1209 CG2 VAL A 78 10.905 -4.444 -7.966 1.00 23.11 C ATOM 0 H VAL A 78 12.658 -2.977 -9.143 1.00 44.55 H new ATOM 0 HA VAL A 78 13.987 -5.578 -9.111 1.00 55.44 H new ATOM 0 HB VAL A 78 12.039 -6.237 -7.716 1.00 11.52 H new ATOM 0 HG11 VAL A 78 12.496 -4.768 -5.781 1.00 21.34 H new ATOM 0 HG12 VAL A 78 13.991 -5.242 -6.621 1.00 21.34 H new ATOM 0 HG13 VAL A 78 13.315 -3.614 -6.860 1.00 21.34 H new ATOM 0 HG21 VAL A 78 10.367 -4.555 -7.024 1.00 23.11 H new ATOM 0 HG22 VAL A 78 11.082 -3.386 -8.160 1.00 23.11 H new ATOM 0 HG23 VAL A 78 10.310 -4.867 -8.775 1.00 23.11 H new ATOM 1219 N THR A 79 11.609 -6.820 -10.099 1.00 14.22 N ATOM 1220 CA THR A 79 10.724 -7.464 -11.084 1.00 74.44 C ATOM 1221 C THR A 79 9.716 -6.460 -11.664 1.00 73.12 C ATOM 1222 O THR A 79 9.046 -5.741 -10.923 1.00 1.11 O ATOM 1223 CB THR A 79 9.954 -8.655 -10.462 1.00 31.04 C ATOM 1224 OG1 THR A 79 10.884 -9.637 -9.967 1.00 1.14 O ATOM 1225 CG2 THR A 79 9.023 -9.311 -11.481 1.00 15.22 C ATOM 0 H THR A 79 11.699 -7.330 -9.220 1.00 14.22 H new ATOM 0 HA THR A 79 11.362 -7.836 -11.885 1.00 74.44 H new ATOM 0 HB THR A 79 9.350 -8.268 -9.642 1.00 31.04 H new ATOM 0 HG1 THR A 79 10.390 -10.386 -9.574 1.00 1.14 H new ATOM 0 HG21 THR A 79 8.498 -10.143 -11.012 1.00 15.22 H new ATOM 0 HG22 THR A 79 8.298 -8.578 -11.836 1.00 15.22 H new ATOM 0 HG23 THR A 79 9.608 -9.680 -12.323 1.00 15.22 H new ATOM 1233 N ALA A 80 9.614 -6.423 -12.989 1.00 73.12 N ATOM 1234 CA ALA A 80 8.810 -5.416 -13.690 1.00 10.40 C ATOM 1235 C ALA A 80 7.342 -5.364 -13.221 1.00 14.34 C ATOM 1236 O ALA A 80 6.732 -4.291 -13.214 1.00 24.14 O ATOM 1237 CB ALA A 80 8.875 -5.659 -15.193 1.00 11.43 C ATOM 0 H ALA A 80 10.082 -7.085 -13.608 1.00 73.12 H new ATOM 0 HA ALA A 80 9.242 -4.445 -13.446 1.00 10.40 H new ATOM 0 HB1 ALA A 80 8.276 -4.909 -15.709 1.00 11.43 H new ATOM 0 HB2 ALA A 80 9.910 -5.591 -15.528 1.00 11.43 H new ATOM 0 HB3 ALA A 80 8.485 -6.652 -15.418 1.00 11.43 H new ATOM 1243 N SER A 81 6.772 -6.508 -12.832 1.00 40.34 N ATOM 1244 CA SER A 81 5.353 -6.554 -12.437 1.00 21.32 C ATOM 1245 C SER A 81 5.006 -7.779 -11.561 1.00 52.42 C ATOM 1246 O SER A 81 5.653 -8.829 -11.650 1.00 44.02 O ATOM 1247 CB SER A 81 4.471 -6.566 -13.700 1.00 74.24 C ATOM 1248 OG SER A 81 3.089 -6.620 -13.377 1.00 74.30 O ATOM 0 H SER A 81 7.258 -7.403 -12.781 1.00 40.34 H new ATOM 0 HA SER A 81 5.161 -5.666 -11.835 1.00 21.32 H new ATOM 0 HB2 SER A 81 4.671 -5.673 -14.292 1.00 74.24 H new ATOM 0 HB3 SER A 81 4.734 -7.424 -14.319 1.00 74.24 H new ATOM 0 HG SER A 81 2.630 -7.220 -14.002 1.00 74.30 H new ATOM 1254 N PRO A 82 3.972 -7.645 -10.688 1.00 42.35 N ATOM 1255 CA PRO A 82 3.358 -8.780 -9.948 1.00 64.15 C ATOM 1256 C PRO A 82 3.027 -9.961 -10.898 1.00 74.12 C ATOM 1257 O PRO A 82 3.100 -9.775 -12.113 1.00 62.23 O ATOM 1258 CB PRO A 82 2.073 -8.149 -9.357 1.00 1.55 C ATOM 1259 CG PRO A 82 1.941 -6.805 -9.995 1.00 53.43 C ATOM 1260 CD PRO A 82 3.327 -6.373 -10.340 1.00 54.43 C ATOM 0 HA PRO A 82 4.015 -9.206 -9.189 1.00 64.15 H new ATOM 0 HB2 PRO A 82 1.202 -8.768 -9.569 1.00 1.55 H new ATOM 0 HB3 PRO A 82 2.145 -8.061 -8.273 1.00 1.55 H new ATOM 0 HG2 PRO A 82 1.316 -6.856 -10.886 1.00 53.43 H new ATOM 0 HG3 PRO A 82 1.469 -6.095 -9.315 1.00 53.43 H new ATOM 0 HD2 PRO A 82 3.339 -5.670 -11.173 1.00 54.43 H new ATOM 0 HD3 PRO A 82 3.821 -5.882 -9.501 1.00 54.43 H new ATOM 1268 N PRO A 83 2.624 -11.198 -10.456 1.00 72.30 N ATOM 1269 CA PRO A 83 2.196 -11.668 -9.104 1.00 62.24 C ATOM 1270 C PRO A 83 2.504 -10.844 -7.831 1.00 33.54 C ATOM 1271 O PRO A 83 1.622 -10.155 -7.319 1.00 60.54 O ATOM 1272 CB PRO A 83 2.902 -13.022 -9.038 1.00 65.12 C ATOM 1273 CG PRO A 83 2.908 -13.531 -10.453 1.00 55.21 C ATOM 1274 CD PRO A 83 2.564 -12.359 -11.358 1.00 74.14 C ATOM 0 HA PRO A 83 1.108 -11.623 -9.059 1.00 62.24 H new ATOM 0 HB2 PRO A 83 3.916 -12.919 -8.652 1.00 65.12 H new ATOM 0 HB3 PRO A 83 2.376 -13.709 -8.374 1.00 65.12 H new ATOM 0 HG2 PRO A 83 3.885 -13.940 -10.710 1.00 55.21 H new ATOM 0 HG3 PRO A 83 2.183 -14.336 -10.575 1.00 55.21 H new ATOM 0 HD2 PRO A 83 3.273 -12.265 -12.180 1.00 74.14 H new ATOM 0 HD3 PRO A 83 1.575 -12.472 -11.802 1.00 74.14 H new ATOM 1282 N THR A 84 3.722 -10.936 -7.296 1.00 33.12 N ATOM 1283 CA THR A 84 3.972 -10.500 -5.905 1.00 50.34 C ATOM 1284 C THR A 84 4.106 -8.975 -5.733 1.00 62.20 C ATOM 1285 O THR A 84 3.142 -8.296 -5.374 1.00 43.25 O ATOM 1286 CB THR A 84 5.221 -11.194 -5.297 1.00 44.10 C ATOM 1287 OG1 THR A 84 6.403 -10.855 -6.043 1.00 14.44 O ATOM 1288 CG2 THR A 84 5.048 -12.709 -5.285 1.00 1.42 C ATOM 0 H THR A 84 4.540 -11.299 -7.785 1.00 33.12 H new ATOM 0 HA THR A 84 3.077 -10.807 -5.363 1.00 50.34 H new ATOM 0 HB THR A 84 5.330 -10.841 -4.272 1.00 44.10 H new ATOM 0 HG1 THR A 84 6.989 -10.295 -5.491 1.00 14.44 H new ATOM 0 HG21 THR A 84 5.935 -13.173 -4.855 1.00 1.42 H new ATOM 0 HG22 THR A 84 4.175 -12.971 -4.687 1.00 1.42 H new ATOM 0 HG23 THR A 84 4.909 -13.067 -6.305 1.00 1.42 H new ATOM 1296 N ASP A 85 5.297 -8.442 -5.977 1.00 23.34 N ATOM 1297 CA ASP A 85 5.596 -7.039 -5.678 1.00 73.23 C ATOM 1298 C ASP A 85 4.930 -6.070 -6.674 1.00 15.01 C ATOM 1299 O ASP A 85 5.148 -6.147 -7.881 1.00 53.13 O ATOM 1300 CB ASP A 85 7.116 -6.840 -5.656 1.00 15.12 C ATOM 1301 CG ASP A 85 7.786 -7.677 -4.575 1.00 40.12 C ATOM 1302 OD1 ASP A 85 8.054 -8.876 -4.822 1.00 53.23 O ATOM 1303 OD2 ASP A 85 8.033 -7.149 -3.470 1.00 43.11 O ATOM 0 H ASP A 85 6.077 -8.959 -6.383 1.00 23.34 H new ATOM 0 HA ASP A 85 5.180 -6.806 -4.698 1.00 73.23 H new ATOM 0 HB2 ASP A 85 7.530 -7.105 -6.629 1.00 15.12 H new ATOM 0 HB3 ASP A 85 7.341 -5.786 -5.490 1.00 15.12 H new ATOM 1308 N LEU A 86 4.120 -5.155 -6.143 1.00 32.42 N ATOM 1309 CA LEU A 86 3.405 -4.162 -6.957 1.00 33.12 C ATOM 1310 C LEU A 86 4.223 -2.875 -7.114 1.00 14.50 C ATOM 1311 O LEU A 86 4.456 -2.152 -6.147 1.00 1.53 O ATOM 1312 CB LEU A 86 2.046 -3.839 -6.314 1.00 73.45 C ATOM 1313 CG LEU A 86 0.916 -4.842 -6.605 1.00 64.31 C ATOM 1314 CD1 LEU A 86 -0.143 -4.800 -5.511 1.00 14.25 C ATOM 1315 CD2 LEU A 86 0.280 -4.547 -7.963 1.00 12.12 C ATOM 0 H LEU A 86 3.939 -5.078 -5.142 1.00 32.42 H new ATOM 0 HA LEU A 86 3.250 -4.588 -7.948 1.00 33.12 H new ATOM 0 HB2 LEU A 86 2.181 -3.775 -5.234 1.00 73.45 H new ATOM 0 HB3 LEU A 86 1.729 -2.853 -6.654 1.00 73.45 H new ATOM 0 HG LEU A 86 1.348 -5.842 -6.627 1.00 64.31 H new ATOM 0 HD11 LEU A 86 -0.931 -5.518 -5.740 1.00 14.25 H new ATOM 0 HD12 LEU A 86 0.312 -5.054 -4.554 1.00 14.25 H new ATOM 0 HD13 LEU A 86 -0.569 -3.798 -5.456 1.00 14.25 H new ATOM 0 HD21 LEU A 86 -0.518 -5.265 -8.155 1.00 12.12 H new ATOM 0 HD22 LEU A 86 -0.133 -3.538 -7.960 1.00 12.12 H new ATOM 0 HD23 LEU A 86 1.036 -4.627 -8.744 1.00 12.12 H new ATOM 1327 N ILE A 87 4.662 -2.593 -8.334 1.00 34.11 N ATOM 1328 CA ILE A 87 5.417 -1.370 -8.615 1.00 31.23 C ATOM 1329 C ILE A 87 4.469 -0.193 -8.907 1.00 30.30 C ATOM 1330 O ILE A 87 3.672 -0.233 -9.848 1.00 60.14 O ATOM 1331 CB ILE A 87 6.406 -1.549 -9.805 1.00 54.43 C ATOM 1332 CG1 ILE A 87 7.494 -2.594 -9.474 1.00 22.40 C ATOM 1333 CG2 ILE A 87 7.053 -0.211 -10.172 1.00 11.44 C ATOM 1334 CD1 ILE A 87 6.994 -4.022 -9.383 1.00 25.24 C ATOM 0 H ILE A 87 4.511 -3.191 -9.146 1.00 34.11 H new ATOM 0 HA ILE A 87 6.000 -1.152 -7.720 1.00 31.23 H new ATOM 0 HB ILE A 87 5.836 -1.911 -10.661 1.00 54.43 H new ATOM 0 HG12 ILE A 87 8.271 -2.543 -10.237 1.00 22.40 H new ATOM 0 HG13 ILE A 87 7.960 -2.325 -8.526 1.00 22.40 H new ATOM 0 HG21 ILE A 87 7.741 -0.356 -11.005 1.00 11.44 H new ATOM 0 HG22 ILE A 87 6.279 0.501 -10.460 1.00 11.44 H new ATOM 0 HG23 ILE A 87 7.601 0.176 -9.313 1.00 11.44 H new ATOM 0 HD11 ILE A 87 7.827 -4.685 -9.147 1.00 25.24 H new ATOM 0 HD12 ILE A 87 6.240 -4.094 -8.600 1.00 25.24 H new ATOM 0 HD13 ILE A 87 6.556 -4.315 -10.337 1.00 25.24 H new ATOM 1346 N TRP A 88 4.553 0.846 -8.080 1.00 23.51 N ATOM 1347 CA TRP A 88 3.752 2.061 -8.251 1.00 72.23 C ATOM 1348 C TRP A 88 4.218 2.839 -9.496 1.00 54.55 C ATOM 1349 O TRP A 88 4.930 3.838 -9.397 1.00 12.33 O ATOM 1350 CB TRP A 88 3.866 2.942 -6.990 1.00 20.33 C ATOM 1351 CG TRP A 88 2.749 3.935 -6.801 1.00 4.25 C ATOM 1352 CD1 TRP A 88 2.039 4.588 -7.772 1.00 2.12 C ATOM 1353 CD2 TRP A 88 2.227 4.400 -5.548 1.00 14.02 C ATOM 1354 NE1 TRP A 88 1.101 5.412 -7.198 1.00 71.04 N ATOM 1355 CE2 TRP A 88 1.200 5.316 -5.834 1.00 34.11 C ATOM 1356 CE3 TRP A 88 2.530 4.123 -4.212 1.00 72.12 C ATOM 1357 CZ2 TRP A 88 0.472 5.955 -4.833 1.00 75.44 C ATOM 1358 CZ3 TRP A 88 1.807 4.759 -3.219 1.00 32.34 C ATOM 1359 CH2 TRP A 88 0.789 5.666 -3.534 1.00 63.32 C ATOM 0 H TRP A 88 5.176 0.872 -7.273 1.00 23.51 H new ATOM 0 HA TRP A 88 2.708 1.782 -8.393 1.00 72.23 H new ATOM 0 HB2 TRP A 88 3.907 2.293 -6.115 1.00 20.33 H new ATOM 0 HB3 TRP A 88 4.811 3.484 -7.029 1.00 20.33 H new ATOM 0 HD1 TRP A 88 2.193 4.472 -8.835 1.00 2.12 H new ATOM 0 HE1 TRP A 88 0.439 6.000 -7.704 1.00 71.04 H new ATOM 0 HE3 TRP A 88 3.314 3.425 -3.960 1.00 72.12 H new ATOM 0 HZ2 TRP A 88 -0.315 6.654 -5.074 1.00 75.44 H new ATOM 0 HZ3 TRP A 88 2.032 4.552 -2.183 1.00 32.34 H new ATOM 0 HH2 TRP A 88 0.243 6.147 -2.736 1.00 63.32 H new ATOM 1370 N LYS A 89 3.811 2.371 -10.674 1.00 13.15 N ATOM 1371 CA LYS A 89 4.226 2.989 -11.943 1.00 34.20 C ATOM 1372 C LYS A 89 3.477 4.308 -12.225 1.00 3.32 C ATOM 1373 O LYS A 89 3.302 4.701 -13.376 1.00 42.44 O ATOM 1374 CB LYS A 89 4.023 1.996 -13.099 1.00 0.53 C ATOM 1375 CG LYS A 89 4.926 0.767 -13.008 1.00 14.14 C ATOM 1376 CD LYS A 89 4.705 -0.196 -14.175 1.00 35.33 C ATOM 1377 CE LYS A 89 5.660 -1.386 -14.120 1.00 40.44 C ATOM 1378 NZ LYS A 89 7.082 -0.961 -14.218 1.00 34.42 N ATOM 0 H LYS A 89 3.194 1.566 -10.782 1.00 13.15 H new ATOM 0 HA LYS A 89 5.284 3.237 -11.858 1.00 34.20 H new ATOM 0 HB2 LYS A 89 2.982 1.673 -13.112 1.00 0.53 H new ATOM 0 HB3 LYS A 89 4.210 2.506 -14.044 1.00 0.53 H new ATOM 0 HG2 LYS A 89 5.969 1.084 -12.993 1.00 14.14 H new ATOM 0 HG3 LYS A 89 4.737 0.247 -12.069 1.00 14.14 H new ATOM 0 HD2 LYS A 89 3.676 -0.555 -14.159 1.00 35.33 H new ATOM 0 HD3 LYS A 89 4.842 0.337 -15.116 1.00 35.33 H new ATOM 0 HE2 LYS A 89 5.507 -1.931 -13.189 1.00 40.44 H new ATOM 0 HE3 LYS A 89 5.430 -2.074 -14.933 1.00 40.44 H new ATOM 0 HZ1 LYS A 89 7.679 -1.789 -14.415 1.00 34.42 H new ATOM 0 HZ2 LYS A 89 7.185 -0.269 -14.987 1.00 34.42 H new ATOM 0 HZ3 LYS A 89 7.377 -0.527 -13.320 1.00 34.42 H new ATOM 1392 N ASN A 90 3.051 4.996 -11.167 1.00 70.51 N ATOM 1393 CA ASN A 90 2.396 6.302 -11.297 1.00 64.12 C ATOM 1394 C ASN A 90 3.212 7.400 -10.592 1.00 21.44 C ATOM 1395 O ASN A 90 2.842 8.576 -10.613 1.00 40.44 O ATOM 1396 CB ASN A 90 0.978 6.246 -10.717 1.00 62.31 C ATOM 1397 CG ASN A 90 0.127 5.135 -11.318 1.00 1.31 C ATOM 1398 OD1 ASN A 90 -0.761 4.603 -10.663 1.00 22.54 O ATOM 1399 ND2 ASN A 90 0.385 4.773 -12.562 1.00 62.41 N ATOM 0 H ASN A 90 3.147 4.671 -10.205 1.00 70.51 H new ATOM 0 HA ASN A 90 2.337 6.547 -12.358 1.00 64.12 H new ATOM 0 HB2 ASN A 90 1.039 6.105 -9.638 1.00 62.31 H new ATOM 0 HB3 ASN A 90 0.485 7.204 -10.886 1.00 62.31 H new ATOM 0 HD21 ASN A 90 -0.162 4.032 -13.001 1.00 62.41 H new ATOM 0 HD22 ASN A 90 1.131 5.234 -13.083 1.00 62.41 H new ATOM 1406 N GLN A 91 4.322 7.003 -9.964 1.00 41.15 N ATOM 1407 CA GLN A 91 5.219 7.946 -9.284 1.00 25.40 C ATOM 1408 C GLN A 91 6.631 7.358 -9.136 1.00 0.31 C ATOM 1409 O GLN A 91 6.799 6.152 -8.948 1.00 35.32 O ATOM 1410 CB GLN A 91 4.690 8.305 -7.887 1.00 44.11 C ATOM 1411 CG GLN A 91 5.500 9.408 -7.200 1.00 22.11 C ATOM 1412 CD GLN A 91 5.357 9.408 -5.691 1.00 3.00 C ATOM 1413 OE1 GLN A 91 4.339 8.998 -5.149 1.00 31.00 O ATOM 1414 NE2 GLN A 91 6.375 9.878 -4.998 1.00 20.35 N ATOM 0 H GLN A 91 4.624 6.030 -9.911 1.00 41.15 H new ATOM 0 HA GLN A 91 5.260 8.844 -9.900 1.00 25.40 H new ATOM 0 HB2 GLN A 91 3.651 8.624 -7.970 1.00 44.11 H new ATOM 0 HB3 GLN A 91 4.700 7.412 -7.261 1.00 44.11 H new ATOM 0 HG2 GLN A 91 6.552 9.290 -7.458 1.00 22.11 H new ATOM 0 HG3 GLN A 91 5.183 10.376 -7.588 1.00 22.11 H new ATOM 0 HE21 GLN A 91 7.209 10.212 -5.480 1.00 20.35 H new ATOM 0 HE22 GLN A 91 6.328 9.907 -3.979 1.00 20.35 H new ATOM 1423 N ASN A 92 7.641 8.219 -9.208 1.00 72.32 N ATOM 1424 CA ASN A 92 9.031 7.807 -8.991 1.00 72.22 C ATOM 1425 C ASN A 92 9.359 7.760 -7.484 1.00 73.12 C ATOM 1426 O ASN A 92 8.463 7.831 -6.644 1.00 61.33 O ATOM 1427 CB ASN A 92 9.972 8.772 -9.719 1.00 22.30 C ATOM 1428 CG ASN A 92 9.599 8.936 -11.179 1.00 13.30 C ATOM 1429 OD1 ASN A 92 8.833 9.823 -11.538 1.00 44.53 O ATOM 1430 ND2 ASN A 92 10.123 8.079 -12.032 1.00 61.11 N ATOM 0 H ASN A 92 7.526 9.211 -9.416 1.00 72.32 H new ATOM 0 HA ASN A 92 9.169 6.804 -9.394 1.00 72.22 H new ATOM 0 HB2 ASN A 92 9.946 9.744 -9.227 1.00 22.30 H new ATOM 0 HB3 ASN A 92 10.996 8.405 -9.645 1.00 22.30 H new ATOM 0 HD21 ASN A 92 9.894 8.142 -13.024 1.00 61.11 H new ATOM 0 HD22 ASN A 92 10.757 7.352 -11.700 1.00 61.11 H new ATOM 1437 N SER A 93 10.643 7.650 -7.144 1.00 33.11 N ATOM 1438 CA SER A 93 11.065 7.559 -5.734 1.00 23.32 C ATOM 1439 C SER A 93 10.837 8.882 -4.989 1.00 30.31 C ATOM 1440 O SER A 93 10.975 9.965 -5.563 1.00 65.42 O ATOM 1441 CB SER A 93 12.547 7.166 -5.639 1.00 20.22 C ATOM 1442 OG SER A 93 12.997 7.126 -4.290 1.00 65.15 O ATOM 0 H SER A 93 11.410 7.621 -7.816 1.00 33.11 H new ATOM 0 HA SER A 93 10.454 6.789 -5.262 1.00 23.32 H new ATOM 0 HB2 SER A 93 12.695 6.190 -6.101 1.00 20.22 H new ATOM 0 HB3 SER A 93 13.149 7.879 -6.202 1.00 20.22 H new ATOM 0 HG SER A 93 12.294 6.748 -3.722 1.00 65.15 H new ATOM 1448 N TRP A 94 10.486 8.783 -3.708 1.00 62.03 N ATOM 1449 CA TRP A 94 10.272 9.961 -2.856 1.00 12.15 C ATOM 1450 C TRP A 94 11.205 9.923 -1.635 1.00 64.20 C ATOM 1451 O TRP A 94 12.076 9.060 -1.543 1.00 63.22 O ATOM 1452 CB TRP A 94 8.799 10.037 -2.408 1.00 43.41 C ATOM 1453 CG TRP A 94 8.316 8.829 -1.649 1.00 24.11 C ATOM 1454 CD1 TRP A 94 8.329 8.646 -0.293 1.00 34.30 C ATOM 1455 CD2 TRP A 94 7.744 7.638 -2.208 1.00 51.14 C ATOM 1456 NE1 TRP A 94 7.808 7.414 0.021 1.00 22.11 N ATOM 1457 CE2 TRP A 94 7.442 6.777 -1.136 1.00 43.42 C ATOM 1458 CE3 TRP A 94 7.462 7.215 -3.511 1.00 53.44 C ATOM 1459 CZ2 TRP A 94 6.868 5.522 -1.328 1.00 32.33 C ATOM 1460 CZ3 TRP A 94 6.892 5.970 -3.700 1.00 54.31 C ATOM 1461 CH2 TRP A 94 6.603 5.135 -2.613 1.00 21.23 C ATOM 0 H TRP A 94 10.342 7.893 -3.230 1.00 62.03 H new ATOM 0 HA TRP A 94 10.505 10.854 -3.436 1.00 12.15 H new ATOM 0 HB2 TRP A 94 8.667 10.920 -1.783 1.00 43.41 H new ATOM 0 HB3 TRP A 94 8.171 10.173 -3.288 1.00 43.41 H new ATOM 0 HD1 TRP A 94 8.695 9.365 0.425 1.00 34.30 H new ATOM 0 HE1 TRP A 94 7.710 7.035 0.963 1.00 22.11 H new ATOM 0 HE3 TRP A 94 7.686 7.850 -4.355 1.00 53.44 H new ATOM 0 HZ2 TRP A 94 6.640 4.878 -0.492 1.00 32.33 H new ATOM 0 HZ3 TRP A 94 6.666 5.636 -4.702 1.00 54.31 H new ATOM 0 HH2 TRP A 94 6.162 4.166 -2.793 1.00 21.23 H new ATOM 1472 N GLY A 95 11.040 10.872 -0.717 1.00 4.40 N ATOM 1473 CA GLY A 95 11.846 10.880 0.505 1.00 63.34 C ATOM 1474 C GLY A 95 12.342 12.268 0.901 1.00 33.42 C ATOM 1475 O GLY A 95 13.530 12.464 1.155 1.00 41.11 O ATOM 0 H GLY A 95 10.367 11.635 -0.791 1.00 4.40 H new ATOM 0 HA2 GLY A 95 11.255 10.468 1.323 1.00 63.34 H new ATOM 0 HA3 GLY A 95 12.704 10.222 0.369 1.00 63.34 H new ATOM 1479 N THR A 96 11.431 13.237 0.954 1.00 41.15 N ATOM 1480 CA THR A 96 11.775 14.601 1.387 1.00 40.01 C ATOM 1481 C THR A 96 11.937 14.697 2.916 1.00 72.51 C ATOM 1482 O THR A 96 12.587 15.608 3.427 1.00 51.04 O ATOM 1483 CB THR A 96 10.711 15.628 0.927 1.00 74.32 C ATOM 1484 OG1 THR A 96 11.051 16.946 1.387 1.00 73.44 O ATOM 1485 CG2 THR A 96 9.323 15.249 1.437 1.00 4.51 C ATOM 0 H THR A 96 10.450 13.110 0.705 1.00 41.15 H new ATOM 0 HA THR A 96 12.730 14.837 0.917 1.00 40.01 H new ATOM 0 HB THR A 96 10.694 15.621 -0.163 1.00 74.32 H new ATOM 0 HG1 THR A 96 10.370 17.583 1.087 1.00 73.44 H new ATOM 0 HG21 THR A 96 8.597 15.988 1.099 1.00 4.51 H new ATOM 0 HG22 THR A 96 9.049 14.267 1.051 1.00 4.51 H new ATOM 0 HG23 THR A 96 9.331 15.221 2.527 1.00 4.51 H new ATOM 1493 N GLY A 97 11.354 13.743 3.643 1.00 74.42 N ATOM 1494 CA GLY A 97 11.436 13.750 5.106 1.00 64.45 C ATOM 1495 C GLY A 97 10.227 14.399 5.782 1.00 54.43 C ATOM 1496 O GLY A 97 10.199 14.563 7.006 1.00 14.24 O ATOM 0 H GLY A 97 10.826 12.964 3.250 1.00 74.42 H new ATOM 0 HA2 GLY A 97 11.534 12.724 5.461 1.00 64.45 H new ATOM 0 HA3 GLY A 97 12.339 14.280 5.409 1.00 64.45 H new ATOM 1500 N GLU A 98 9.231 14.774 4.985 1.00 32.54 N ATOM 1501 CA GLU A 98 7.995 15.370 5.506 1.00 51.43 C ATOM 1502 C GLU A 98 6.983 14.286 5.917 1.00 2.01 C ATOM 1503 O GLU A 98 7.196 13.097 5.661 1.00 54.34 O ATOM 1504 CB GLU A 98 7.377 16.296 4.446 1.00 54.44 C ATOM 1505 CG GLU A 98 8.301 17.426 3.996 1.00 10.15 C ATOM 1506 CD GLU A 98 8.609 18.424 5.102 1.00 10.44 C ATOM 1507 OE1 GLU A 98 9.539 18.179 5.900 1.00 4.05 O ATOM 1508 OE2 GLU A 98 7.921 19.462 5.182 1.00 31.43 O ATOM 0 H GLU A 98 9.252 14.677 3.970 1.00 32.54 H new ATOM 0 HA GLU A 98 8.244 15.951 6.394 1.00 51.43 H new ATOM 0 HB2 GLU A 98 7.097 15.701 3.577 1.00 54.44 H new ATOM 0 HB3 GLU A 98 6.459 16.728 4.846 1.00 54.44 H new ATOM 0 HG2 GLU A 98 9.235 16.999 3.630 1.00 10.15 H new ATOM 0 HG3 GLU A 98 7.841 17.951 3.159 1.00 10.15 H new ATOM 1515 N ASP A 99 5.887 14.702 6.547 1.00 23.31 N ATOM 1516 CA ASP A 99 4.856 13.768 7.013 1.00 52.15 C ATOM 1517 C ASP A 99 4.108 13.102 5.841 1.00 23.24 C ATOM 1518 O ASP A 99 3.859 13.726 4.808 1.00 41.23 O ATOM 1519 CB ASP A 99 3.874 14.483 7.953 1.00 3.51 C ATOM 1520 CG ASP A 99 3.308 15.763 7.361 1.00 32.54 C ATOM 1521 OD1 ASP A 99 4.033 16.781 7.343 1.00 0.24 O ATOM 1522 OD2 ASP A 99 2.134 15.767 6.931 1.00 33.40 O ATOM 0 H ASP A 99 5.686 15.682 6.749 1.00 23.31 H new ATOM 0 HA ASP A 99 5.356 12.973 7.566 1.00 52.15 H new ATOM 0 HB2 ASP A 99 3.053 13.807 8.194 1.00 3.51 H new ATOM 0 HB3 ASP A 99 4.381 14.716 8.890 1.00 3.51 H new ATOM 1527 N VAL A 100 3.762 11.826 6.013 1.00 23.03 N ATOM 1528 CA VAL A 100 3.084 11.053 4.967 1.00 75.01 C ATOM 1529 C VAL A 100 1.897 10.249 5.533 1.00 34.33 C ATOM 1530 O VAL A 100 2.012 9.573 6.559 1.00 10.34 O ATOM 1531 CB VAL A 100 4.076 10.093 4.254 1.00 32.11 C ATOM 1532 CG1 VAL A 100 4.751 9.158 5.255 1.00 73.43 C ATOM 1533 CG2 VAL A 100 3.375 9.294 3.155 1.00 12.53 C ATOM 0 H VAL A 100 3.940 11.302 6.870 1.00 23.03 H new ATOM 0 HA VAL A 100 2.698 11.768 4.241 1.00 75.01 H new ATOM 0 HB VAL A 100 4.849 10.703 3.787 1.00 32.11 H new ATOM 0 HG11 VAL A 100 5.440 8.497 4.728 1.00 73.43 H new ATOM 0 HG12 VAL A 100 5.302 9.747 5.988 1.00 73.43 H new ATOM 0 HG13 VAL A 100 3.994 8.562 5.764 1.00 73.43 H new ATOM 0 HG21 VAL A 100 4.093 8.631 2.673 1.00 12.53 H new ATOM 0 HG22 VAL A 100 2.571 8.702 3.592 1.00 12.53 H new ATOM 0 HG23 VAL A 100 2.961 9.979 2.415 1.00 12.53 H new ATOM 1543 N LYS A 101 0.758 10.331 4.852 1.00 35.23 N ATOM 1544 CA LYS A 101 -0.470 9.653 5.286 1.00 32.11 C ATOM 1545 C LYS A 101 -1.000 8.718 4.180 1.00 61.31 C ATOM 1546 O LYS A 101 -1.450 9.177 3.128 1.00 53.25 O ATOM 1547 CB LYS A 101 -1.527 10.709 5.648 1.00 34.41 C ATOM 1548 CG LYS A 101 -2.674 10.193 6.517 1.00 54.12 C ATOM 1549 CD LYS A 101 -3.677 11.305 6.830 1.00 0.14 C ATOM 1550 CE LYS A 101 -4.661 10.907 7.927 1.00 24.15 C ATOM 1551 NZ LYS A 101 -5.414 9.673 7.589 1.00 24.31 N ATOM 0 H LYS A 101 0.655 10.864 3.989 1.00 35.23 H new ATOM 0 HA LYS A 101 -0.250 9.042 6.162 1.00 32.11 H new ATOM 0 HB2 LYS A 101 -1.036 11.531 6.169 1.00 34.41 H new ATOM 0 HB3 LYS A 101 -1.943 11.118 4.727 1.00 34.41 H new ATOM 0 HG2 LYS A 101 -3.182 9.376 6.005 1.00 54.12 H new ATOM 0 HG3 LYS A 101 -2.275 9.788 7.447 1.00 54.12 H new ATOM 0 HD2 LYS A 101 -3.138 12.201 7.137 1.00 0.14 H new ATOM 0 HD3 LYS A 101 -4.229 11.559 5.925 1.00 0.14 H new ATOM 0 HE2 LYS A 101 -4.119 10.755 8.860 1.00 24.15 H new ATOM 0 HE3 LYS A 101 -5.363 11.723 8.096 1.00 24.15 H new ATOM 0 HZ1 LYS A 101 -6.116 9.481 8.331 1.00 24.31 H new ATOM 0 HZ2 LYS A 101 -5.899 9.801 6.678 1.00 24.31 H new ATOM 0 HZ3 LYS A 101 -4.755 8.872 7.520 1.00 24.31 H new ATOM 1565 N VAL A 102 -0.941 7.408 4.421 1.00 12.21 N ATOM 1566 CA VAL A 102 -1.381 6.413 3.431 1.00 72.13 C ATOM 1567 C VAL A 102 -2.816 5.930 3.719 1.00 54.24 C ATOM 1568 O VAL A 102 -3.156 5.596 4.855 1.00 12.34 O ATOM 1569 CB VAL A 102 -0.413 5.200 3.385 1.00 23.11 C ATOM 1570 CG1 VAL A 102 -0.301 4.534 4.749 1.00 20.14 C ATOM 1571 CG2 VAL A 102 -0.845 4.193 2.321 1.00 14.32 C ATOM 0 H VAL A 102 -0.593 7.007 5.292 1.00 12.21 H new ATOM 0 HA VAL A 102 -1.371 6.903 2.458 1.00 72.13 H new ATOM 0 HB VAL A 102 0.574 5.574 3.113 1.00 23.11 H new ATOM 0 HG11 VAL A 102 0.383 3.688 4.686 1.00 20.14 H new ATOM 0 HG12 VAL A 102 0.077 5.253 5.475 1.00 20.14 H new ATOM 0 HG13 VAL A 102 -1.284 4.183 5.064 1.00 20.14 H new ATOM 0 HG21 VAL A 102 -0.149 3.354 2.311 1.00 14.32 H new ATOM 0 HG22 VAL A 102 -1.847 3.831 2.549 1.00 14.32 H new ATOM 0 HG23 VAL A 102 -0.847 4.675 1.343 1.00 14.32 H new ATOM 1581 N ILE A 103 -3.650 5.890 2.681 1.00 34.20 N ATOM 1582 CA ILE A 103 -5.082 5.595 2.836 1.00 22.05 C ATOM 1583 C ILE A 103 -5.531 4.438 1.922 1.00 25.42 C ATOM 1584 O ILE A 103 -5.170 4.391 0.744 1.00 55.32 O ATOM 1585 CB ILE A 103 -5.940 6.841 2.489 1.00 2.14 C ATOM 1586 CG1 ILE A 103 -5.355 8.121 3.112 1.00 63.12 C ATOM 1587 CG2 ILE A 103 -7.381 6.637 2.944 1.00 60.54 C ATOM 1588 CD1 ILE A 103 -5.314 8.119 4.624 1.00 3.30 C ATOM 0 H ILE A 103 -3.361 6.058 1.717 1.00 34.20 H new ATOM 0 HA ILE A 103 -5.229 5.309 3.878 1.00 22.05 H new ATOM 0 HB ILE A 103 -5.926 6.964 1.406 1.00 2.14 H new ATOM 0 HG12 ILE A 103 -4.343 8.265 2.734 1.00 63.12 H new ATOM 0 HG13 ILE A 103 -5.944 8.975 2.778 1.00 63.12 H new ATOM 0 HG21 ILE A 103 -7.970 7.519 2.694 1.00 60.54 H new ATOM 0 HG22 ILE A 103 -7.801 5.766 2.442 1.00 60.54 H new ATOM 0 HG23 ILE A 103 -7.403 6.480 4.022 1.00 60.54 H new ATOM 0 HD11 ILE A 103 -4.888 9.058 4.978 1.00 3.30 H new ATOM 0 HD12 ILE A 103 -6.325 8.009 5.015 1.00 3.30 H new ATOM 0 HD13 ILE A 103 -4.699 7.288 4.970 1.00 3.30 H new ATOM 1600 N LEU A 104 -6.338 3.521 2.461 1.00 0.42 N ATOM 1601 CA LEU A 104 -6.890 2.407 1.673 1.00 0.24 C ATOM 1602 C LEU A 104 -8.404 2.566 1.453 1.00 22.14 C ATOM 1603 O LEU A 104 -9.203 2.386 2.379 1.00 41.44 O ATOM 1604 CB LEU A 104 -6.604 1.063 2.362 1.00 51.25 C ATOM 1605 CG LEU A 104 -5.122 0.674 2.464 1.00 14.30 C ATOM 1606 CD1 LEU A 104 -4.964 -0.687 3.137 1.00 42.32 C ATOM 1607 CD2 LEU A 104 -4.472 0.680 1.084 1.00 24.24 C ATOM 0 H LEU A 104 -6.626 3.525 3.439 1.00 0.42 H new ATOM 0 HA LEU A 104 -6.400 2.423 0.700 1.00 0.24 H new ATOM 0 HB2 LEU A 104 -7.024 1.094 3.368 1.00 51.25 H new ATOM 0 HB3 LEU A 104 -7.131 0.278 1.820 1.00 51.25 H new ATOM 0 HG LEU A 104 -4.614 1.414 3.082 1.00 14.30 H new ATOM 0 HD11 LEU A 104 -3.906 -0.942 3.198 1.00 42.32 H new ATOM 0 HD12 LEU A 104 -5.387 -0.648 4.141 1.00 42.32 H new ATOM 0 HD13 LEU A 104 -5.486 -1.445 2.553 1.00 42.32 H new ATOM 0 HD21 LEU A 104 -3.422 0.402 1.175 1.00 24.24 H new ATOM 0 HD22 LEU A 104 -4.982 -0.035 0.439 1.00 24.24 H new ATOM 0 HD23 LEU A 104 -4.547 1.677 0.651 1.00 24.24 H new ATOM 1619 N LYS A 105 -8.790 2.896 0.222 1.00 1.43 N ATOM 1620 CA LYS A 105 -10.201 3.114 -0.126 1.00 32.42 C ATOM 1621 C LYS A 105 -10.688 2.133 -1.210 1.00 52.45 C ATOM 1622 O LYS A 105 -9.894 1.437 -1.851 1.00 23.25 O ATOM 1623 CB LYS A 105 -10.413 4.561 -0.601 1.00 71.14 C ATOM 1624 CG LYS A 105 -10.051 5.613 0.444 1.00 23.30 C ATOM 1625 CD LYS A 105 -10.327 7.030 -0.056 1.00 4.42 C ATOM 1626 CE LYS A 105 -9.881 8.090 0.946 1.00 53.42 C ATOM 1627 NZ LYS A 105 -10.572 7.962 2.258 1.00 61.02 N ATOM 0 H LYS A 105 -8.145 3.020 -0.558 1.00 1.43 H new ATOM 0 HA LYS A 105 -10.789 2.933 0.774 1.00 32.42 H new ATOM 0 HB2 LYS A 105 -9.815 4.731 -1.496 1.00 71.14 H new ATOM 0 HB3 LYS A 105 -11.457 4.690 -0.886 1.00 71.14 H new ATOM 0 HG2 LYS A 105 -10.622 5.432 1.355 1.00 23.30 H new ATOM 0 HG3 LYS A 105 -8.997 5.519 0.704 1.00 23.30 H new ATOM 0 HD2 LYS A 105 -9.810 7.187 -1.003 1.00 4.42 H new ATOM 0 HD3 LYS A 105 -11.393 7.143 -0.252 1.00 4.42 H new ATOM 0 HE2 LYS A 105 -8.804 8.012 1.097 1.00 53.42 H new ATOM 0 HE3 LYS A 105 -10.074 9.080 0.533 1.00 53.42 H new ATOM 0 HZ1 LYS A 105 -10.611 8.892 2.722 1.00 61.02 H new ATOM 0 HZ2 LYS A 105 -11.539 7.609 2.108 1.00 61.02 H new ATOM 0 HZ3 LYS A 105 -10.050 7.295 2.862 1.00 61.02 H new ATOM 1641 N ASN A 106 -12.007 2.086 -1.406 1.00 60.21 N ATOM 1642 CA ASN A 106 -12.627 1.189 -2.389 1.00 1.00 C ATOM 1643 C ASN A 106 -13.289 1.973 -3.536 1.00 21.54 C ATOM 1644 O ASN A 106 -13.243 3.203 -3.574 1.00 11.40 O ATOM 1645 CB ASN A 106 -13.668 0.301 -1.700 1.00 0.02 C ATOM 1646 CG ASN A 106 -13.102 -0.455 -0.512 1.00 74.54 C ATOM 1647 OD1 ASN A 106 -13.129 0.026 0.617 1.00 2.21 O ATOM 1648 ND2 ASN A 106 -12.588 -1.645 -0.754 1.00 21.44 N ATOM 0 H ASN A 106 -12.673 2.663 -0.893 1.00 60.21 H new ATOM 0 HA ASN A 106 -11.839 0.569 -2.818 1.00 1.00 H new ATOM 0 HB2 ASN A 106 -14.503 0.918 -1.368 1.00 0.02 H new ATOM 0 HB3 ASN A 106 -14.066 -0.412 -2.422 1.00 0.02 H new ATOM 0 HD21 ASN A 106 -12.196 -2.196 0.010 1.00 21.44 H new ATOM 0 HD22 ASN A 106 -12.582 -2.014 -1.705 1.00 21.44 H new ATOM 1655 N SER A 107 -13.941 1.248 -4.446 1.00 62.22 N ATOM 1656 CA SER A 107 -14.512 1.842 -5.671 1.00 55.02 C ATOM 1657 C SER A 107 -15.544 2.952 -5.387 1.00 4.35 C ATOM 1658 O SER A 107 -15.578 3.963 -6.091 1.00 13.24 O ATOM 1659 CB SER A 107 -15.153 0.752 -6.542 1.00 1.14 C ATOM 1660 OG SER A 107 -15.652 1.284 -7.762 1.00 54.21 O ATOM 0 H SER A 107 -14.091 0.242 -4.363 1.00 62.22 H new ATOM 0 HA SER A 107 -13.681 2.308 -6.201 1.00 55.02 H new ATOM 0 HB2 SER A 107 -14.417 -0.023 -6.756 1.00 1.14 H new ATOM 0 HB3 SER A 107 -15.965 0.277 -5.992 1.00 1.14 H new ATOM 0 HG SER A 107 -16.052 0.564 -8.293 1.00 54.21 H new ATOM 1666 N GLN A 108 -16.389 2.774 -4.365 1.00 73.05 N ATOM 1667 CA GLN A 108 -17.417 3.782 -4.036 1.00 64.01 C ATOM 1668 C GLN A 108 -16.822 5.038 -3.377 1.00 3.43 C ATOM 1669 O GLN A 108 -17.518 6.035 -3.189 1.00 64.42 O ATOM 1670 CB GLN A 108 -18.491 3.209 -3.098 1.00 13.10 C ATOM 1671 CG GLN A 108 -19.252 2.012 -3.649 1.00 54.23 C ATOM 1672 CD GLN A 108 -20.580 1.800 -2.941 1.00 35.34 C ATOM 1673 OE1 GLN A 108 -21.614 2.288 -3.383 1.00 35.14 O ATOM 1674 NE2 GLN A 108 -20.562 1.105 -1.826 1.00 23.41 N ATOM 0 H GLN A 108 -16.387 1.956 -3.756 1.00 73.05 H new ATOM 0 HA GLN A 108 -17.866 4.061 -4.989 1.00 64.01 H new ATOM 0 HB2 GLN A 108 -18.016 2.919 -2.161 1.00 13.10 H new ATOM 0 HB3 GLN A 108 -19.205 3.998 -2.863 1.00 13.10 H new ATOM 0 HG2 GLN A 108 -19.429 2.156 -4.715 1.00 54.23 H new ATOM 0 HG3 GLN A 108 -18.640 1.116 -3.546 1.00 54.23 H new ATOM 0 HE21 GLN A 108 -19.685 0.712 -1.484 1.00 23.41 H new ATOM 0 HE22 GLN A 108 -21.425 0.959 -1.302 1.00 23.41 H new ATOM 1683 N GLY A 109 -15.540 4.991 -3.030 1.00 14.25 N ATOM 1684 CA GLY A 109 -14.943 6.064 -2.245 1.00 42.33 C ATOM 1685 C GLY A 109 -15.003 5.780 -0.747 1.00 64.30 C ATOM 1686 O GLY A 109 -14.600 6.608 0.073 1.00 65.23 O ATOM 0 H GLY A 109 -14.903 4.233 -3.276 1.00 14.25 H new ATOM 0 HA2 GLY A 109 -13.904 6.199 -2.547 1.00 42.33 H new ATOM 0 HA3 GLY A 109 -15.461 6.999 -2.457 1.00 42.33 H new ATOM 1690 N GLU A 110 -15.544 4.609 -0.399 1.00 21.30 N ATOM 1691 CA GLU A 110 -15.541 4.115 0.982 1.00 75.30 C ATOM 1692 C GLU A 110 -14.111 3.764 1.422 1.00 60.25 C ATOM 1693 O GLU A 110 -13.199 3.702 0.597 1.00 52.04 O ATOM 1694 CB GLU A 110 -16.461 2.884 1.101 1.00 43.04 C ATOM 1695 CG GLU A 110 -16.130 1.779 0.101 1.00 10.33 C ATOM 1696 CD GLU A 110 -17.039 0.562 0.204 1.00 73.21 C ATOM 1697 OE1 GLU A 110 -18.236 0.682 -0.123 1.00 21.43 O ATOM 1698 OE2 GLU A 110 -16.558 -0.525 0.589 1.00 21.42 O ATOM 0 H GLU A 110 -15.995 3.979 -1.063 1.00 21.30 H new ATOM 0 HA GLU A 110 -15.918 4.899 1.639 1.00 75.30 H new ATOM 0 HB2 GLU A 110 -16.389 2.482 2.112 1.00 43.04 H new ATOM 0 HB3 GLU A 110 -17.495 3.197 0.956 1.00 43.04 H new ATOM 0 HG2 GLU A 110 -16.195 2.185 -0.909 1.00 10.33 H new ATOM 0 HG3 GLU A 110 -15.098 1.463 0.252 1.00 10.33 H new ATOM 1705 N GLU A 111 -13.913 3.526 2.711 1.00 24.40 N ATOM 1706 CA GLU A 111 -12.568 3.286 3.244 1.00 40.30 C ATOM 1707 C GLU A 111 -12.526 2.045 4.146 1.00 74.50 C ATOM 1708 O GLU A 111 -13.416 1.833 4.970 1.00 14.04 O ATOM 1709 CB GLU A 111 -12.101 4.520 4.025 1.00 53.22 C ATOM 1710 CG GLU A 111 -10.666 4.434 4.537 1.00 30.00 C ATOM 1711 CD GLU A 111 -10.248 5.690 5.281 1.00 40.31 C ATOM 1712 OE1 GLU A 111 -10.072 6.739 4.620 1.00 21.20 O ATOM 1713 OE2 GLU A 111 -10.126 5.641 6.524 1.00 70.21 O ATOM 0 H GLU A 111 -14.657 3.493 3.408 1.00 24.40 H new ATOM 0 HA GLU A 111 -11.898 3.103 2.404 1.00 40.30 H new ATOM 0 HB2 GLU A 111 -12.194 5.397 3.385 1.00 53.22 H new ATOM 0 HB3 GLU A 111 -12.768 4.673 4.873 1.00 53.22 H new ATOM 0 HG2 GLU A 111 -10.568 3.573 5.198 1.00 30.00 H new ATOM 0 HG3 GLU A 111 -9.991 4.269 3.697 1.00 30.00 H new ATOM 1720 N VAL A 112 -11.484 1.228 3.984 1.00 10.45 N ATOM 1721 CA VAL A 112 -11.294 0.040 4.828 1.00 10.52 C ATOM 1722 C VAL A 112 -10.329 0.321 5.993 1.00 53.13 C ATOM 1723 O VAL A 112 -10.579 -0.097 7.127 1.00 32.01 O ATOM 1724 CB VAL A 112 -10.764 -1.169 4.012 1.00 31.13 C ATOM 1725 CG1 VAL A 112 -11.797 -1.619 2.980 1.00 2.12 C ATOM 1726 CG2 VAL A 112 -9.437 -0.831 3.339 1.00 30.33 C ATOM 0 H VAL A 112 -10.759 1.364 3.279 1.00 10.45 H new ATOM 0 HA VAL A 112 -12.277 -0.208 5.229 1.00 10.52 H new ATOM 0 HB VAL A 112 -10.591 -1.994 4.703 1.00 31.13 H new ATOM 0 HG11 VAL A 112 -11.405 -2.467 2.419 1.00 2.12 H new ATOM 0 HG12 VAL A 112 -12.715 -1.913 3.489 1.00 2.12 H new ATOM 0 HG13 VAL A 112 -12.009 -0.798 2.295 1.00 2.12 H new ATOM 0 HG21 VAL A 112 -9.086 -1.694 2.773 1.00 30.33 H new ATOM 0 HG22 VAL A 112 -9.576 0.013 2.664 1.00 30.33 H new ATOM 0 HG23 VAL A 112 -8.700 -0.571 4.098 1.00 30.33 H new ATOM 1736 N ALA A 113 -9.243 1.047 5.714 1.00 12.32 N ATOM 1737 CA ALA A 113 -8.210 1.330 6.716 1.00 5.52 C ATOM 1738 C ALA A 113 -7.255 2.434 6.243 1.00 21.33 C ATOM 1739 O ALA A 113 -7.270 2.826 5.074 1.00 40.33 O ATOM 1740 CB ALA A 113 -7.425 0.061 7.039 1.00 35.41 C ATOM 0 H ALA A 113 -9.055 1.452 4.797 1.00 12.32 H new ATOM 0 HA ALA A 113 -8.710 1.682 7.618 1.00 5.52 H new ATOM 0 HB1 ALA A 113 -6.662 0.285 7.784 1.00 35.41 H new ATOM 0 HB2 ALA A 113 -8.103 -0.697 7.431 1.00 35.41 H new ATOM 0 HB3 ALA A 113 -6.949 -0.313 6.133 1.00 35.41 H new ATOM 1746 N GLN A 114 -6.425 2.926 7.159 1.00 1.44 N ATOM 1747 CA GLN A 114 -5.435 3.965 6.844 1.00 50.21 C ATOM 1748 C GLN A 114 -4.318 3.989 7.899 1.00 44.32 C ATOM 1749 O GLN A 114 -4.474 3.436 8.993 1.00 3.44 O ATOM 1750 CB GLN A 114 -6.120 5.338 6.756 1.00 31.54 C ATOM 1751 CG GLN A 114 -6.812 5.759 8.045 1.00 61.14 C ATOM 1752 CD GLN A 114 -7.578 7.069 7.921 1.00 33.30 C ATOM 1753 OE1 GLN A 114 -7.219 7.947 7.146 1.00 4.04 O ATOM 1754 NE2 GLN A 114 -8.632 7.217 8.697 1.00 73.24 N ATOM 0 H GLN A 114 -6.415 2.623 8.133 1.00 1.44 H new ATOM 0 HA GLN A 114 -4.986 3.734 5.878 1.00 50.21 H new ATOM 0 HB2 GLN A 114 -5.376 6.089 6.491 1.00 31.54 H new ATOM 0 HB3 GLN A 114 -6.853 5.318 5.950 1.00 31.54 H new ATOM 0 HG2 GLN A 114 -7.501 4.972 8.353 1.00 61.14 H new ATOM 0 HG3 GLN A 114 -6.066 5.856 8.834 1.00 61.14 H new ATOM 0 HE21 GLN A 114 -8.907 6.468 9.332 1.00 73.24 H new ATOM 0 HE22 GLN A 114 -9.174 8.081 8.662 1.00 73.24 H new ATOM 1763 N ARG A 115 -3.193 4.629 7.572 1.00 33.35 N ATOM 1764 CA ARG A 115 -2.044 4.687 8.487 1.00 1.01 C ATOM 1765 C ARG A 115 -1.053 5.808 8.129 1.00 41.13 C ATOM 1766 O ARG A 115 -1.241 6.567 7.175 1.00 54.50 O ATOM 1767 CB ARG A 115 -1.292 3.338 8.502 1.00 41.34 C ATOM 1768 CG ARG A 115 -1.406 2.570 9.817 1.00 2.42 C ATOM 1769 CD ARG A 115 -0.243 1.604 9.998 1.00 50.52 C ATOM 1770 NE ARG A 115 1.045 2.305 10.025 1.00 10.30 N ATOM 1771 CZ ARG A 115 2.205 1.715 9.935 1.00 42.32 C ATOM 1772 NH1 ARG A 115 2.281 0.427 9.823 1.00 15.11 N ATOM 1773 NH2 ARG A 115 3.292 2.427 9.950 1.00 3.43 N ATOM 0 H ARG A 115 -3.050 5.113 6.686 1.00 33.35 H new ATOM 0 HA ARG A 115 -2.452 4.902 9.475 1.00 1.01 H new ATOM 0 HB2 ARG A 115 -1.675 2.713 7.695 1.00 41.34 H new ATOM 0 HB3 ARG A 115 -0.238 3.520 8.291 1.00 41.34 H new ATOM 0 HG2 ARG A 115 -1.430 3.273 10.650 1.00 2.42 H new ATOM 0 HG3 ARG A 115 -2.346 2.018 9.838 1.00 2.42 H new ATOM 0 HD2 ARG A 115 -0.374 1.047 10.926 1.00 50.52 H new ATOM 0 HD3 ARG A 115 -0.244 0.876 9.186 1.00 50.52 H new ATOM 0 HE ARG A 115 1.033 3.320 10.120 1.00 10.30 H new ATOM 0 HH11 ARG A 115 1.430 -0.134 9.805 1.00 15.11 H new ATOM 0 HH12 ARG A 115 3.192 -0.026 9.753 1.00 15.11 H new ATOM 0 HH21 ARG A 115 3.236 3.442 10.032 1.00 3.43 H new ATOM 0 HH22 ARG A 115 4.202 1.971 9.880 1.00 3.43 H new ATOM 1787 N SER A 116 0.010 5.889 8.925 1.00 73.33 N ATOM 1788 CA SER A 116 1.126 6.811 8.690 1.00 24.31 C ATOM 1789 C SER A 116 2.436 6.183 9.187 1.00 22.13 C ATOM 1790 O SER A 116 2.474 4.998 9.534 1.00 42.12 O ATOM 1791 CB SER A 116 0.884 8.144 9.419 1.00 11.53 C ATOM 1792 OG SER A 116 0.819 7.960 10.828 1.00 60.43 O ATOM 0 H SER A 116 0.125 5.313 9.759 1.00 73.33 H new ATOM 0 HA SER A 116 1.199 7.002 7.619 1.00 24.31 H new ATOM 0 HB2 SER A 116 1.685 8.843 9.178 1.00 11.53 H new ATOM 0 HB3 SER A 116 -0.045 8.590 9.065 1.00 11.53 H new ATOM 0 HG SER A 116 0.666 8.824 11.264 1.00 60.43 H new ATOM 1798 N THR A 117 3.512 6.963 9.215 1.00 40.53 N ATOM 1799 CA THR A 117 4.784 6.498 9.786 1.00 14.33 C ATOM 1800 C THR A 117 4.755 6.565 11.320 1.00 54.34 C ATOM 1801 O THR A 117 4.173 7.481 11.902 1.00 74.40 O ATOM 1802 CB THR A 117 5.985 7.330 9.272 1.00 42.12 C ATOM 1803 OG1 THR A 117 5.738 8.731 9.473 1.00 22.00 O ATOM 1804 CG2 THR A 117 6.247 7.061 7.793 1.00 73.40 C ATOM 0 H THR A 117 3.535 7.916 8.852 1.00 40.53 H new ATOM 0 HA THR A 117 4.910 5.464 9.465 1.00 14.33 H new ATOM 0 HB THR A 117 6.868 7.032 9.838 1.00 42.12 H new ATOM 0 HG1 THR A 117 6.504 9.248 9.146 1.00 22.00 H new ATOM 0 HG21 THR A 117 7.095 7.658 7.459 1.00 73.40 H new ATOM 0 HG22 THR A 117 6.469 6.004 7.649 1.00 73.40 H new ATOM 0 HG23 THR A 117 5.364 7.329 7.213 1.00 73.40 H new ATOM 1812 N VAL A 118 5.366 5.579 11.973 1.00 43.11 N ATOM 1813 CA VAL A 118 5.441 5.557 13.438 1.00 63.32 C ATOM 1814 C VAL A 118 6.538 6.512 13.955 1.00 61.24 C ATOM 1815 O VAL A 118 7.731 6.210 13.897 1.00 10.24 O ATOM 1816 CB VAL A 118 5.673 4.113 13.974 1.00 41.44 C ATOM 1817 CG1 VAL A 118 6.906 3.467 13.337 1.00 72.11 C ATOM 1818 CG2 VAL A 118 5.780 4.107 15.499 1.00 41.40 C ATOM 0 H VAL A 118 5.816 4.786 11.516 1.00 43.11 H new ATOM 0 HA VAL A 118 4.481 5.906 13.818 1.00 63.32 H new ATOM 0 HB VAL A 118 4.807 3.515 13.691 1.00 41.44 H new ATOM 0 HG11 VAL A 118 7.036 2.461 13.735 1.00 72.11 H new ATOM 0 HG12 VAL A 118 6.772 3.415 12.256 1.00 72.11 H new ATOM 0 HG13 VAL A 118 7.789 4.064 13.565 1.00 72.11 H new ATOM 0 HG21 VAL A 118 5.942 3.087 15.848 1.00 41.40 H new ATOM 0 HG22 VAL A 118 6.617 4.733 15.807 1.00 41.40 H new ATOM 0 HG23 VAL A 118 4.858 4.496 15.930 1.00 41.40 H new ATOM 1828 N PHE A 119 6.127 7.684 14.437 1.00 34.43 N ATOM 1829 CA PHE A 119 7.075 8.695 14.919 1.00 15.51 C ATOM 1830 C PHE A 119 7.211 8.677 16.455 1.00 50.30 C ATOM 1831 O PHE A 119 6.328 9.135 17.181 1.00 54.13 O ATOM 1832 CB PHE A 119 6.670 10.097 14.418 1.00 74.22 C ATOM 1833 CG PHE A 119 5.239 10.490 14.725 1.00 74.34 C ATOM 1834 CD1 PHE A 119 4.191 10.039 13.928 1.00 45.25 C ATOM 1835 CD2 PHE A 119 4.940 11.315 15.805 1.00 4.41 C ATOM 1836 CE1 PHE A 119 2.885 10.397 14.202 1.00 61.32 C ATOM 1837 CE2 PHE A 119 3.633 11.675 16.081 1.00 74.54 C ATOM 1838 CZ PHE A 119 2.605 11.216 15.278 1.00 34.13 C ATOM 0 H PHE A 119 5.147 7.959 14.505 1.00 34.43 H new ATOM 0 HA PHE A 119 8.054 8.447 14.510 1.00 15.51 H new ATOM 0 HB2 PHE A 119 7.338 10.834 14.863 1.00 74.22 H new ATOM 0 HB3 PHE A 119 6.821 10.140 13.339 1.00 74.22 H new ATOM 0 HD1 PHE A 119 4.402 9.400 13.083 1.00 45.25 H new ATOM 0 HD2 PHE A 119 5.738 11.679 16.435 1.00 4.41 H new ATOM 0 HE1 PHE A 119 2.083 10.036 13.575 1.00 61.32 H new ATOM 0 HE2 PHE A 119 3.416 12.315 16.924 1.00 74.54 H new ATOM 0 HZ PHE A 119 1.585 11.498 15.492 1.00 34.13 H new ATOM 1848 N LYS A 120 8.319 8.122 16.944 1.00 74.21 N ATOM 1849 CA LYS A 120 8.625 8.140 18.379 1.00 52.35 C ATOM 1850 C LYS A 120 9.318 9.454 18.769 1.00 33.13 C ATOM 1851 O LYS A 120 10.350 9.814 18.203 1.00 5.32 O ATOM 1852 CB LYS A 120 9.511 6.943 18.754 1.00 44.41 C ATOM 1853 CG LYS A 120 8.817 5.589 18.606 1.00 23.21 C ATOM 1854 CD LYS A 120 9.751 4.430 18.953 1.00 63.01 C ATOM 1855 CE LYS A 120 10.225 4.490 20.402 1.00 32.42 C ATOM 1856 NZ LYS A 120 9.099 4.373 21.366 1.00 44.24 N ATOM 0 H LYS A 120 9.021 7.654 16.371 1.00 74.21 H new ATOM 0 HA LYS A 120 7.686 8.067 18.928 1.00 52.35 H new ATOM 0 HB2 LYS A 120 10.403 6.953 18.128 1.00 44.41 H new ATOM 0 HB3 LYS A 120 9.844 7.059 19.785 1.00 44.41 H new ATOM 0 HG2 LYS A 120 7.942 5.557 19.255 1.00 23.21 H new ATOM 0 HG3 LYS A 120 8.460 5.474 17.583 1.00 23.21 H new ATOM 0 HD2 LYS A 120 9.236 3.485 18.779 1.00 63.01 H new ATOM 0 HD3 LYS A 120 10.615 4.449 18.288 1.00 63.01 H new ATOM 0 HE2 LYS A 120 10.940 3.687 20.582 1.00 32.42 H new ATOM 0 HE3 LYS A 120 10.751 5.430 20.572 1.00 32.42 H new ATOM 0 HZ1 LYS A 120 9.476 4.265 22.329 1.00 44.24 H new ATOM 0 HZ2 LYS A 120 8.511 5.229 21.318 1.00 44.24 H new ATOM 0 HZ3 LYS A 120 8.521 3.542 21.126 1.00 44.24 H new ATOM 1870 N THR A 121 8.745 10.167 19.736 1.00 34.30 N ATOM 1871 CA THR A 121 9.273 11.474 20.154 1.00 30.13 C ATOM 1872 C THR A 121 10.607 11.331 20.907 1.00 73.33 C ATOM 1873 O THR A 121 10.637 11.230 22.136 1.00 53.11 O ATOM 1874 CB THR A 121 8.257 12.238 21.044 1.00 61.31 C ATOM 1875 OG1 THR A 121 6.992 12.348 20.367 1.00 41.43 O ATOM 1876 CG2 THR A 121 8.764 13.634 21.393 1.00 43.33 C ATOM 0 H THR A 121 7.915 9.866 20.248 1.00 34.30 H new ATOM 0 HA THR A 121 9.445 12.047 19.243 1.00 30.13 H new ATOM 0 HB THR A 121 8.135 11.672 21.968 1.00 61.31 H new ATOM 0 HG1 THR A 121 6.357 12.830 20.937 1.00 41.43 H new ATOM 0 HG21 THR A 121 8.029 14.143 22.017 1.00 43.33 H new ATOM 0 HG22 THR A 121 9.707 13.554 21.934 1.00 43.33 H new ATOM 0 HG23 THR A 121 8.919 14.204 20.477 1.00 43.33 H new ATOM 1884 N THR A 122 11.705 11.284 20.153 1.00 65.52 N ATOM 1885 CA THR A 122 13.056 11.151 20.728 1.00 15.20 C ATOM 1886 C THR A 122 14.121 11.808 19.833 1.00 73.21 C ATOM 1887 O THR A 122 14.466 11.230 18.775 1.00 37.55 O ATOM 1888 CB THR A 122 13.430 9.663 20.957 1.00 42.34 C ATOM 1889 OG1 THR A 122 12.473 9.048 21.831 1.00 42.10 O ATOM 1890 CG2 THR A 122 14.824 9.524 21.561 1.00 42.43 C ATOM 1891 OXT THR A 122 14.615 12.900 20.186 1.00 37.55 O ATOM 0 H THR A 122 11.691 11.336 19.134 1.00 65.52 H new ATOM 0 HA THR A 122 13.036 11.666 21.688 1.00 15.20 H new ATOM 0 HB THR A 122 13.424 9.166 19.987 1.00 42.34 H new ATOM 0 HG1 THR A 122 12.714 8.108 21.970 1.00 42.10 H new ATOM 0 HG21 THR A 122 15.053 8.469 21.708 1.00 42.43 H new ATOM 0 HG22 THR A 122 15.558 9.964 20.886 1.00 42.43 H new ATOM 0 HG23 THR A 122 14.858 10.040 22.521 1.00 42.43 H new TER 1899 THR A 122