USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 956 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 98 THR OG1 : rot -146:sc= 0.661 USER MOD Set 1.2: A 101 SER OG : rot 111:sc= 0.528 USER MOD Set 2.1: A 95 GLN : amide:sc= -0.832! C(o=0.37!,f=-12!) USER MOD Set 2.2: A 99 LYS NZ :NH3+ -116:sc= 1.2 (180deg=0) USER MOD Set 3.1: A 54 SER OG : rot -95:sc= 0.373 USER MOD Set 3.2: A 63 HIS : no HD1:sc= 0.997 K(o=1.4,f=-6.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00888) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.701 X(o=-0.7,f=-0.34) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 7 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-1.4!) USER MOD Single : A 8 HIS : no HD1:sc= -0.0892 X(o=-0.089,f=-0.072) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0.933 (180deg=0.831) USER MOD Single : A 17 GLN : amide:sc= 0.211 K(o=0.21,f=-0.43) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.575 K(o=-0.58,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= 0.0495 K(o=0.049,f=-1.8) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0935) USER MOD Single : A 35 LYS NZ :NH3+ -122:sc= 1.11 (180deg=-1.39!) USER MOD Single : A 36 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 47 LYS NZ :NH3+ 136:sc= 1.05 (180deg=0.455) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.318 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.714 K(o=-0.71,f=-1.8) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -26:sc= 0.406 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.41) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 90 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.3!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -77:sc= 0.634 USER MOD Single : A 93 THR OG1 : rot -79:sc= 0.912 USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.387 (180deg=-1.56!) USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0.787 (180deg=0.668) USER MOD Single : A 107 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.74) USER MOD Single : A 111 LYS NZ :NH3+ 156:sc= 0.964 (180deg=-0.0776) USER MOD Single : A 113 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00402) USER MOD Single : A 114 LYS NZ :NH3+ 156:sc= -1.04 (180deg=-2.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.254 -7.659 -39.360 1.00 40.23 N ATOM 2 CA MET A 1 12.208 -8.667 -39.908 1.00 32.15 C ATOM 3 C MET A 1 13.490 -8.758 -39.068 1.00 40.30 C ATOM 4 O MET A 1 13.984 -9.852 -38.800 1.00 24.42 O ATOM 5 CB MET A 1 12.581 -8.318 -41.354 1.00 25.42 C ATOM 6 CG MET A 1 13.548 -9.307 -41.999 1.00 13.52 C ATOM 7 SD MET A 1 14.161 -8.736 -43.596 1.00 10.40 S ATOM 8 CE MET A 1 15.232 -10.099 -44.058 1.00 0.34 C ATOM 0 H1 MET A 1 10.381 -7.664 -39.925 1.00 40.23 H new ATOM 0 H2 MET A 1 11.029 -7.895 -38.373 1.00 40.23 H new ATOM 0 H3 MET A 1 11.687 -6.714 -39.400 1.00 40.23 H new ATOM 0 HA MET A 1 11.705 -9.634 -39.875 1.00 32.15 H new ATOM 0 HB2 MET A 1 11.671 -8.272 -41.952 1.00 25.42 H new ATOM 0 HB3 MET A 1 13.027 -7.323 -41.374 1.00 25.42 H new ATOM 0 HG2 MET A 1 14.391 -9.474 -41.329 1.00 13.52 H new ATOM 0 HG3 MET A 1 13.048 -10.267 -42.128 1.00 13.52 H new ATOM 0 HE1 MET A 1 15.686 -9.893 -45.027 1.00 0.34 H new ATOM 0 HE2 MET A 1 16.015 -10.217 -43.308 1.00 0.34 H new ATOM 0 HE3 MET A 1 14.647 -11.017 -44.119 1.00 0.34 H new ATOM 20 N GLY A 2 14.026 -7.605 -38.661 1.00 53.41 N ATOM 21 CA GLY A 2 15.308 -7.576 -37.959 1.00 53.23 C ATOM 22 C GLY A 2 15.197 -7.798 -36.450 1.00 61.41 C ATOM 23 O GLY A 2 14.582 -8.764 -35.995 1.00 2.54 O ATOM 0 H GLY A 2 13.597 -6.690 -38.804 1.00 53.41 H new ATOM 0 HA2 GLY A 2 15.959 -8.341 -38.381 1.00 53.23 H new ATOM 0 HA3 GLY A 2 15.788 -6.614 -38.140 1.00 53.23 H new ATOM 27 N HIS A 3 15.803 -6.902 -35.668 1.00 31.13 N ATOM 28 CA HIS A 3 15.854 -7.047 -34.205 1.00 23.31 C ATOM 29 C HIS A 3 14.970 -6.003 -33.504 1.00 55.23 C ATOM 30 O HIS A 3 15.049 -4.808 -33.800 1.00 64.45 O ATOM 31 CB HIS A 3 17.306 -6.918 -33.724 1.00 2.23 C ATOM 32 CG HIS A 3 18.248 -7.831 -34.448 1.00 54.45 C ATOM 33 ND1 HIS A 3 18.453 -9.143 -34.095 1.00 0.42 N ATOM 34 CD2 HIS A 3 19.024 -7.614 -35.535 1.00 34.30 C ATOM 35 CE1 HIS A 3 19.310 -9.695 -34.930 1.00 23.21 C ATOM 36 NE2 HIS A 3 19.672 -8.790 -35.816 1.00 35.33 N ATOM 0 H HIS A 3 16.267 -6.065 -36.021 1.00 31.13 H new ATOM 0 HA HIS A 3 15.469 -8.034 -33.947 1.00 23.31 H new ATOM 0 HB2 HIS A 3 17.636 -5.887 -33.855 1.00 2.23 H new ATOM 0 HB3 HIS A 3 17.349 -7.133 -32.656 1.00 2.23 H new ATOM 0 HD2 HIS A 3 19.116 -6.686 -36.081 1.00 34.30 H new ATOM 0 HE1 HIS A 3 19.657 -10.717 -34.894 1.00 23.21 H new ATOM 0 HE2 HIS A 3 20.326 -8.939 -36.584 1.00 35.33 H new ATOM 45 N HIS A 4 14.141 -6.455 -32.563 1.00 20.44 N ATOM 46 CA HIS A 4 13.217 -5.565 -31.848 1.00 45.11 C ATOM 47 C HIS A 4 13.752 -5.188 -30.455 1.00 1.42 C ATOM 48 O HIS A 4 14.564 -5.905 -29.864 1.00 43.41 O ATOM 49 CB HIS A 4 11.842 -6.235 -31.697 1.00 53.44 C ATOM 50 CG HIS A 4 11.212 -6.640 -32.996 1.00 23.23 C ATOM 51 ND1 HIS A 4 10.419 -5.798 -33.741 1.00 40.40 N ATOM 52 CD2 HIS A 4 11.249 -7.811 -33.676 1.00 11.31 C ATOM 53 CE1 HIS A 4 9.993 -6.428 -34.815 1.00 62.21 C ATOM 54 NE2 HIS A 4 10.481 -7.652 -34.803 1.00 53.12 N ATOM 0 H HIS A 4 14.088 -7.432 -32.276 1.00 20.44 H new ATOM 0 HA HIS A 4 13.123 -4.654 -32.439 1.00 45.11 H new ATOM 0 HB2 HIS A 4 11.947 -7.117 -31.066 1.00 53.44 H new ATOM 0 HB3 HIS A 4 11.171 -5.550 -31.178 1.00 53.44 H new ATOM 0 HD2 HIS A 4 11.783 -8.704 -33.386 1.00 11.31 H new ATOM 0 HE1 HIS A 4 9.352 -6.012 -35.578 1.00 62.21 H new ATOM 0 HE2 HIS A 4 10.315 -8.364 -35.514 1.00 53.12 H new ATOM 63 N HIS A 5 13.285 -4.054 -29.935 1.00 32.45 N ATOM 64 CA HIS A 5 13.610 -3.626 -28.566 1.00 14.10 C ATOM 65 C HIS A 5 12.515 -4.085 -27.580 1.00 3.23 C ATOM 66 O HIS A 5 12.475 -3.658 -26.428 1.00 63.12 O ATOM 67 CB HIS A 5 13.773 -2.093 -28.531 1.00 31.21 C ATOM 68 CG HIS A 5 14.294 -1.554 -27.229 1.00 70.31 C ATOM 69 ND1 HIS A 5 15.635 -1.496 -26.923 1.00 1.23 N ATOM 70 CD2 HIS A 5 13.650 -1.045 -26.150 1.00 55.13 C ATOM 71 CE1 HIS A 5 15.792 -0.984 -25.723 1.00 44.32 C ATOM 72 NE2 HIS A 5 14.606 -0.701 -25.231 1.00 71.42 N ATOM 0 H HIS A 5 12.677 -3.409 -30.440 1.00 32.45 H new ATOM 0 HA HIS A 5 14.549 -4.088 -28.260 1.00 14.10 H new ATOM 0 HB2 HIS A 5 14.450 -1.793 -29.331 1.00 31.21 H new ATOM 0 HB3 HIS A 5 12.808 -1.632 -28.741 1.00 31.21 H new ATOM 0 HD2 HIS A 5 12.582 -0.932 -26.036 1.00 55.13 H new ATOM 0 HE1 HIS A 5 16.736 -0.823 -25.225 1.00 44.32 H new ATOM 0 HE2 HIS A 5 14.427 -0.292 -24.314 1.00 71.42 H new ATOM 81 N HIS A 6 11.643 -4.980 -28.042 1.00 51.43 N ATOM 82 CA HIS A 6 10.491 -5.430 -27.251 1.00 71.44 C ATOM 83 C HIS A 6 10.906 -6.310 -26.054 1.00 1.34 C ATOM 84 O HIS A 6 11.265 -7.477 -26.219 1.00 55.33 O ATOM 85 CB HIS A 6 9.507 -6.192 -28.154 1.00 2.21 C ATOM 86 CG HIS A 6 8.268 -6.653 -27.445 1.00 35.24 C ATOM 87 ND1 HIS A 6 8.097 -7.944 -26.994 1.00 42.43 N ATOM 88 CD2 HIS A 6 7.135 -5.988 -27.112 1.00 62.41 C ATOM 89 CE1 HIS A 6 6.918 -8.055 -26.418 1.00 51.52 C ATOM 90 NE2 HIS A 6 6.314 -6.886 -26.474 1.00 72.44 N ATOM 0 H HIS A 6 11.710 -5.411 -28.964 1.00 51.43 H new ATOM 0 HA HIS A 6 10.008 -4.543 -26.842 1.00 71.44 H new ATOM 0 HB2 HIS A 6 9.220 -5.550 -28.987 1.00 2.21 H new ATOM 0 HB3 HIS A 6 10.014 -7.058 -28.579 1.00 2.21 H new ATOM 0 HD2 HIS A 6 6.918 -4.949 -27.311 1.00 62.41 H new ATOM 0 HE1 HIS A 6 6.514 -8.953 -25.974 1.00 51.52 H new ATOM 0 HE2 HIS A 6 5.386 -6.680 -26.103 1.00 72.44 H new ATOM 99 N HIS A 7 10.859 -5.732 -24.852 1.00 31.54 N ATOM 100 CA HIS A 7 11.115 -6.479 -23.611 1.00 30.11 C ATOM 101 C HIS A 7 10.591 -5.699 -22.390 1.00 32.13 C ATOM 102 O HIS A 7 10.611 -4.468 -22.376 1.00 33.31 O ATOM 103 CB HIS A 7 12.612 -6.794 -23.456 1.00 20.04 C ATOM 104 CG HIS A 7 13.469 -5.606 -23.152 1.00 62.11 C ATOM 105 ND1 HIS A 7 14.436 -5.620 -22.176 1.00 21.35 N ATOM 106 CD2 HIS A 7 13.519 -4.374 -23.707 1.00 2.42 C ATOM 107 CE1 HIS A 7 15.043 -4.454 -22.141 1.00 71.41 C ATOM 108 NE2 HIS A 7 14.507 -3.677 -23.059 1.00 32.44 N ATOM 0 H HIS A 7 10.645 -4.745 -24.708 1.00 31.54 H new ATOM 0 HA HIS A 7 10.578 -7.426 -23.669 1.00 30.11 H new ATOM 0 HB2 HIS A 7 12.735 -7.528 -22.660 1.00 20.04 H new ATOM 0 HB3 HIS A 7 12.970 -7.258 -24.375 1.00 20.04 H new ATOM 0 HD2 HIS A 7 12.897 -4.007 -24.510 1.00 2.42 H new ATOM 0 HE1 HIS A 7 15.846 -4.180 -21.472 1.00 71.41 H new ATOM 0 HE2 HIS A 7 14.781 -2.715 -23.256 1.00 32.44 H new ATOM 117 N HIS A 8 10.128 -6.418 -21.369 1.00 63.51 N ATOM 118 CA HIS A 8 9.493 -5.785 -20.199 1.00 12.21 C ATOM 119 C HIS A 8 10.514 -5.311 -19.152 1.00 51.30 C ATOM 120 O HIS A 8 10.140 -4.694 -18.155 1.00 4.24 O ATOM 121 CB HIS A 8 8.490 -6.751 -19.547 1.00 12.41 C ATOM 122 CG HIS A 8 9.100 -8.036 -19.066 1.00 32.44 C ATOM 123 ND1 HIS A 8 8.996 -9.219 -19.763 1.00 21.32 N ATOM 124 CD2 HIS A 8 9.818 -8.325 -17.953 1.00 43.04 C ATOM 125 CE1 HIS A 8 9.616 -10.175 -19.106 1.00 32.04 C ATOM 126 NE2 HIS A 8 10.125 -9.661 -18.006 1.00 65.11 N ATOM 0 H HIS A 8 10.177 -7.436 -21.322 1.00 63.51 H new ATOM 0 HA HIS A 8 8.971 -4.901 -20.566 1.00 12.21 H new ATOM 0 HB2 HIS A 8 8.014 -6.249 -18.704 1.00 12.41 H new ATOM 0 HB3 HIS A 8 7.704 -6.981 -20.266 1.00 12.41 H new ATOM 0 HD2 HIS A 8 10.096 -7.633 -17.171 1.00 43.04 H new ATOM 0 HE1 HIS A 8 9.694 -11.207 -19.416 1.00 32.04 H new ATOM 0 HE2 HIS A 8 10.661 -10.174 -17.306 1.00 65.11 H new ATOM 135 N SER A 9 11.792 -5.611 -19.369 1.00 41.10 N ATOM 136 CA SER A 9 12.855 -5.228 -18.420 1.00 40.43 C ATOM 137 C SER A 9 13.029 -3.701 -18.330 1.00 43.42 C ATOM 138 O SER A 9 13.882 -3.121 -19.010 1.00 10.12 O ATOM 139 CB SER A 9 14.188 -5.873 -18.816 1.00 11.33 C ATOM 140 OG SER A 9 14.066 -7.280 -18.949 1.00 42.04 O ATOM 0 H SER A 9 12.125 -6.117 -20.190 1.00 41.10 H new ATOM 0 HA SER A 9 12.550 -5.591 -17.438 1.00 40.43 H new ATOM 0 HB2 SER A 9 14.534 -5.446 -19.757 1.00 11.33 H new ATOM 0 HB3 SER A 9 14.943 -5.642 -18.064 1.00 11.33 H new ATOM 0 HG SER A 9 14.932 -7.661 -19.204 1.00 42.04 H new ATOM 146 N HIS A 10 12.204 -3.064 -17.497 1.00 44.32 N ATOM 147 CA HIS A 10 12.249 -1.606 -17.278 1.00 22.12 C ATOM 148 C HIS A 10 11.192 -1.176 -16.248 1.00 13.03 C ATOM 149 O HIS A 10 10.083 -1.707 -16.227 1.00 0.03 O ATOM 150 CB HIS A 10 12.029 -0.848 -18.600 1.00 31.33 C ATOM 151 CG HIS A 10 11.929 0.642 -18.442 1.00 53.04 C ATOM 152 ND1 HIS A 10 12.938 1.416 -17.909 1.00 22.34 N ATOM 153 CD2 HIS A 10 10.922 1.500 -18.737 1.00 22.40 C ATOM 154 CE1 HIS A 10 12.558 2.678 -17.883 1.00 1.10 C ATOM 155 NE2 HIS A 10 11.343 2.756 -18.379 1.00 35.24 N ATOM 0 H HIS A 10 11.484 -3.539 -16.952 1.00 44.32 H new ATOM 0 HA HIS A 10 13.237 -1.358 -16.891 1.00 22.12 H new ATOM 0 HB2 HIS A 10 12.851 -1.076 -19.279 1.00 31.33 H new ATOM 0 HB3 HIS A 10 11.116 -1.215 -19.070 1.00 31.33 H new ATOM 0 HD2 HIS A 10 9.967 1.243 -19.172 1.00 22.40 H new ATOM 0 HE1 HIS A 10 13.145 3.507 -17.516 1.00 1.10 H new ATOM 0 HE2 HIS A 10 10.800 3.613 -18.481 1.00 35.24 H new ATOM 164 N MET A 11 11.535 -0.202 -15.404 1.00 50.21 N ATOM 165 CA MET A 11 10.626 0.273 -14.351 1.00 42.32 C ATOM 166 C MET A 11 9.337 0.898 -14.927 1.00 54.45 C ATOM 167 O MET A 11 9.367 1.612 -15.934 1.00 14.41 O ATOM 168 CB MET A 11 11.337 1.294 -13.449 1.00 73.25 C ATOM 169 CG MET A 11 11.720 2.590 -14.158 1.00 61.43 C ATOM 170 SD MET A 11 12.471 3.800 -13.049 1.00 54.40 S ATOM 171 CE MET A 11 12.674 5.196 -14.160 1.00 11.34 C ATOM 0 H MET A 11 12.436 0.276 -15.426 1.00 50.21 H new ATOM 0 HA MET A 11 10.338 -0.599 -13.764 1.00 42.32 H new ATOM 0 HB2 MET A 11 10.689 1.532 -12.606 1.00 73.25 H new ATOM 0 HB3 MET A 11 12.238 0.836 -13.040 1.00 73.25 H new ATOM 0 HG2 MET A 11 12.415 2.364 -14.966 1.00 61.43 H new ATOM 0 HG3 MET A 11 10.831 3.025 -14.614 1.00 61.43 H new ATOM 0 HE1 MET A 11 13.128 6.027 -13.621 1.00 11.34 H new ATOM 0 HE2 MET A 11 13.317 4.909 -14.992 1.00 11.34 H new ATOM 0 HE3 MET A 11 11.700 5.501 -14.543 1.00 11.34 H new ATOM 181 N LYS A 12 8.208 0.617 -14.279 1.00 60.55 N ATOM 182 CA LYS A 12 6.917 1.213 -14.652 1.00 21.25 C ATOM 183 C LYS A 12 6.490 2.289 -13.640 1.00 52.40 C ATOM 184 O LYS A 12 6.670 2.119 -12.431 1.00 12.10 O ATOM 185 CB LYS A 12 5.829 0.130 -14.738 1.00 40.33 C ATOM 186 CG LYS A 12 5.908 -0.748 -15.985 1.00 44.23 C ATOM 187 CD LYS A 12 5.757 0.073 -17.267 1.00 60.24 C ATOM 188 CE LYS A 12 5.500 -0.810 -18.484 1.00 14.22 C ATOM 189 NZ LYS A 12 4.192 -1.514 -18.394 1.00 32.21 N ATOM 0 H LYS A 12 8.157 -0.024 -13.487 1.00 60.55 H new ATOM 0 HA LYS A 12 7.039 1.681 -15.629 1.00 21.25 H new ATOM 0 HB2 LYS A 12 5.897 -0.507 -13.856 1.00 40.33 H new ATOM 0 HB3 LYS A 12 4.852 0.611 -14.709 1.00 40.33 H new ATOM 0 HG2 LYS A 12 6.863 -1.273 -16.000 1.00 44.23 H new ATOM 0 HG3 LYS A 12 5.127 -1.507 -15.945 1.00 44.23 H new ATOM 0 HD2 LYS A 12 4.934 0.779 -17.151 1.00 60.24 H new ATOM 0 HD3 LYS A 12 6.660 0.661 -17.430 1.00 60.24 H new ATOM 0 HE2 LYS A 12 5.522 -0.199 -19.387 1.00 14.22 H new ATOM 0 HE3 LYS A 12 6.301 -1.543 -18.576 1.00 14.22 H new ATOM 0 HZ1 LYS A 12 3.994 -1.994 -19.295 1.00 32.21 H new ATOM 0 HZ2 LYS A 12 4.228 -2.216 -17.628 1.00 32.21 H new ATOM 0 HZ3 LYS A 12 3.439 -0.824 -18.197 1.00 32.21 H new ATOM 203 N PRO A 13 5.913 3.413 -14.117 1.00 61.15 N ATOM 204 CA PRO A 13 5.423 4.491 -13.234 1.00 44.30 C ATOM 205 C PRO A 13 4.230 4.050 -12.363 1.00 12.51 C ATOM 206 O PRO A 13 3.706 2.943 -12.512 1.00 52.42 O ATOM 207 CB PRO A 13 5.002 5.595 -14.219 1.00 61.30 C ATOM 208 CG PRO A 13 4.717 4.875 -15.491 1.00 62.32 C ATOM 209 CD PRO A 13 5.693 3.728 -15.542 1.00 11.15 C ATOM 0 HA PRO A 13 6.183 4.808 -12.520 1.00 44.30 H new ATOM 0 HB2 PRO A 13 4.123 6.131 -13.861 1.00 61.30 H new ATOM 0 HB3 PRO A 13 5.794 6.333 -14.350 1.00 61.30 H new ATOM 0 HG2 PRO A 13 3.689 4.514 -15.514 1.00 62.32 H new ATOM 0 HG3 PRO A 13 4.843 5.534 -16.350 1.00 62.32 H new ATOM 0 HD2 PRO A 13 5.285 2.875 -16.085 1.00 11.15 H new ATOM 0 HD3 PRO A 13 6.620 4.010 -16.041 1.00 11.15 H new ATOM 217 N LEU A 14 3.802 4.926 -11.458 1.00 61.41 N ATOM 218 CA LEU A 14 2.710 4.621 -10.525 1.00 41.34 C ATOM 219 C LEU A 14 1.405 4.274 -11.266 1.00 34.34 C ATOM 220 O LEU A 14 0.712 3.322 -10.910 1.00 72.52 O ATOM 221 CB LEU A 14 2.485 5.810 -9.579 1.00 32.14 C ATOM 222 CG LEU A 14 1.450 5.587 -8.463 1.00 34.01 C ATOM 223 CD1 LEU A 14 1.836 4.394 -7.594 1.00 42.20 C ATOM 224 CD2 LEU A 14 1.293 6.847 -7.615 1.00 15.21 C ATOM 0 H LEU A 14 4.195 5.861 -11.347 1.00 61.41 H new ATOM 0 HA LEU A 14 3.000 3.745 -9.945 1.00 41.34 H new ATOM 0 HB2 LEU A 14 3.438 6.070 -9.119 1.00 32.14 H new ATOM 0 HB3 LEU A 14 2.173 6.669 -10.173 1.00 32.14 H new ATOM 0 HG LEU A 14 0.490 5.367 -8.929 1.00 34.01 H new ATOM 0 HD11 LEU A 14 1.089 4.257 -6.812 1.00 42.20 H new ATOM 0 HD12 LEU A 14 1.886 3.496 -8.210 1.00 42.20 H new ATOM 0 HD13 LEU A 14 2.809 4.576 -7.138 1.00 42.20 H new ATOM 0 HD21 LEU A 14 0.557 6.669 -6.831 1.00 15.21 H new ATOM 0 HD22 LEU A 14 2.251 7.102 -7.162 1.00 15.21 H new ATOM 0 HD23 LEU A 14 0.959 7.671 -8.246 1.00 15.21 H new ATOM 236 N ALA A 15 1.090 5.037 -12.312 1.00 33.32 N ATOM 237 CA ALA A 15 -0.145 4.831 -13.088 1.00 72.34 C ATOM 238 C ALA A 15 -0.165 3.485 -13.841 1.00 12.11 C ATOM 239 O ALA A 15 -1.215 3.050 -14.323 1.00 32.45 O ATOM 240 CB ALA A 15 -0.345 5.985 -14.064 1.00 61.43 C ATOM 0 H ALA A 15 1.670 5.806 -12.647 1.00 33.32 H new ATOM 0 HA ALA A 15 -0.968 4.802 -12.374 1.00 72.34 H new ATOM 0 HB1 ALA A 15 -1.260 5.825 -14.634 1.00 61.43 H new ATOM 0 HB2 ALA A 15 -0.421 6.921 -13.510 1.00 61.43 H new ATOM 0 HB3 ALA A 15 0.503 6.035 -14.747 1.00 61.43 H new ATOM 246 N GLU A 16 0.993 2.839 -13.956 1.00 22.40 N ATOM 247 CA GLU A 16 1.098 1.521 -14.605 1.00 43.12 C ATOM 248 C GLU A 16 0.972 0.374 -13.588 1.00 4.30 C ATOM 249 O GLU A 16 0.731 -0.779 -13.956 1.00 35.33 O ATOM 250 CB GLU A 16 2.437 1.403 -15.347 1.00 23.33 C ATOM 251 CG GLU A 16 2.469 2.102 -16.703 1.00 71.35 C ATOM 252 CD GLU A 16 1.606 1.395 -17.735 1.00 75.23 C ATOM 253 OE1 GLU A 16 2.035 0.340 -18.247 1.00 32.41 O ATOM 254 OE2 GLU A 16 0.487 1.881 -18.026 1.00 20.44 O ATOM 0 H GLU A 16 1.880 3.204 -13.608 1.00 22.40 H new ATOM 0 HA GLU A 16 0.274 1.438 -15.314 1.00 43.12 H new ATOM 0 HB2 GLU A 16 3.225 1.819 -14.719 1.00 23.33 H new ATOM 0 HB3 GLU A 16 2.667 0.347 -15.490 1.00 23.33 H new ATOM 0 HG2 GLU A 16 2.126 3.130 -16.588 1.00 71.35 H new ATOM 0 HG3 GLU A 16 3.497 2.148 -17.062 1.00 71.35 H new ATOM 261 N GLN A 17 1.136 0.697 -12.311 1.00 1.31 N ATOM 262 CA GLN A 17 1.096 -0.304 -11.245 1.00 62.14 C ATOM 263 C GLN A 17 -0.323 -0.856 -11.038 1.00 54.24 C ATOM 264 O GLN A 17 -1.264 -0.108 -10.778 1.00 54.24 O ATOM 265 CB GLN A 17 1.629 0.310 -9.944 1.00 11.34 C ATOM 266 CG GLN A 17 3.053 0.851 -10.064 1.00 11.04 C ATOM 267 CD GLN A 17 4.068 -0.225 -10.424 1.00 2.13 C ATOM 268 OE1 GLN A 17 3.915 -1.386 -10.062 1.00 13.25 O ATOM 269 NE2 GLN A 17 5.108 0.148 -11.142 1.00 14.42 N ATOM 0 H GLN A 17 1.299 1.649 -11.984 1.00 1.31 H new ATOM 0 HA GLN A 17 1.729 -1.141 -11.538 1.00 62.14 H new ATOM 0 HB2 GLN A 17 0.966 1.119 -9.635 1.00 11.34 H new ATOM 0 HB3 GLN A 17 1.600 -0.444 -9.157 1.00 11.34 H new ATOM 0 HG2 GLN A 17 3.076 1.633 -10.823 1.00 11.04 H new ATOM 0 HG3 GLN A 17 3.341 1.314 -9.120 1.00 11.04 H new ATOM 0 HE21 GLN A 17 5.207 1.122 -11.428 1.00 14.42 H new ATOM 0 HE22 GLN A 17 5.814 -0.537 -11.412 1.00 14.42 H new ATOM 278 N ASP A 18 -0.467 -2.174 -11.157 1.00 42.21 N ATOM 279 CA ASP A 18 -1.771 -2.831 -11.023 1.00 20.02 C ATOM 280 C ASP A 18 -2.378 -2.669 -9.619 1.00 1.41 C ATOM 281 O ASP A 18 -3.597 -2.586 -9.472 1.00 53.41 O ATOM 282 CB ASP A 18 -1.650 -4.311 -11.397 1.00 61.22 C ATOM 283 CG ASP A 18 -1.617 -4.505 -12.900 1.00 14.12 C ATOM 284 OD1 ASP A 18 -2.691 -4.407 -13.533 1.00 40.35 O ATOM 285 OD2 ASP A 18 -0.524 -4.740 -13.455 1.00 33.55 O ATOM 0 H ASP A 18 0.305 -2.813 -11.347 1.00 42.21 H new ATOM 0 HA ASP A 18 -2.456 -2.338 -11.712 1.00 20.02 H new ATOM 0 HB2 ASP A 18 -0.744 -4.726 -10.956 1.00 61.22 H new ATOM 0 HB3 ASP A 18 -2.490 -4.863 -10.976 1.00 61.22 H new ATOM 290 N TRP A 19 -1.533 -2.617 -8.595 1.00 71.35 N ATOM 291 CA TRP A 19 -2.006 -2.422 -7.218 1.00 22.35 C ATOM 292 C TRP A 19 -2.442 -0.967 -6.955 1.00 63.20 C ATOM 293 O TRP A 19 -3.006 -0.660 -5.905 1.00 23.34 O ATOM 294 CB TRP A 19 -0.929 -2.864 -6.210 1.00 14.33 C ATOM 295 CG TRP A 19 0.468 -2.439 -6.570 1.00 0.24 C ATOM 296 CD1 TRP A 19 1.427 -3.207 -7.170 1.00 74.31 C ATOM 297 CD2 TRP A 19 1.065 -1.155 -6.350 1.00 3.02 C ATOM 298 NE1 TRP A 19 2.579 -2.479 -7.336 1.00 60.52 N ATOM 299 CE2 TRP A 19 2.384 -1.220 -6.839 1.00 50.12 C ATOM 300 CE3 TRP A 19 0.616 0.040 -5.789 1.00 14.45 C ATOM 301 CZ2 TRP A 19 3.254 -0.134 -6.780 1.00 52.31 C ATOM 302 CZ3 TRP A 19 1.480 1.117 -5.732 1.00 1.21 C ATOM 303 CH2 TRP A 19 2.785 1.024 -6.224 1.00 30.30 C ATOM 0 H TRP A 19 -0.521 -2.706 -8.685 1.00 71.35 H new ATOM 0 HA TRP A 19 -2.888 -3.048 -7.084 1.00 22.35 H new ATOM 0 HB2 TRP A 19 -1.178 -2.459 -5.229 1.00 14.33 H new ATOM 0 HB3 TRP A 19 -0.954 -3.950 -6.122 1.00 14.33 H new ATOM 0 HD1 TRP A 19 1.297 -4.236 -7.470 1.00 74.31 H new ATOM 0 HE1 TRP A 19 3.441 -2.822 -7.761 1.00 60.52 H new ATOM 0 HE3 TRP A 19 -0.390 0.122 -5.405 1.00 14.45 H new ATOM 0 HZ2 TRP A 19 4.263 -0.204 -7.160 1.00 52.31 H new ATOM 0 HZ3 TRP A 19 1.141 2.047 -5.300 1.00 1.21 H new ATOM 0 HH2 TRP A 19 3.436 1.884 -6.164 1.00 30.30 H new ATOM 314 N TYR A 20 -2.191 -0.077 -7.917 1.00 40.24 N ATOM 315 CA TYR A 20 -2.611 1.328 -7.806 1.00 52.21 C ATOM 316 C TYR A 20 -3.961 1.557 -8.510 1.00 74.13 C ATOM 317 O TYR A 20 -4.078 1.382 -9.723 1.00 21.04 O ATOM 318 CB TYR A 20 -1.539 2.250 -8.404 1.00 72.23 C ATOM 319 CG TYR A 20 -1.898 3.727 -8.358 1.00 13.24 C ATOM 320 CD1 TYR A 20 -1.984 4.404 -7.145 1.00 53.52 C ATOM 321 CD2 TYR A 20 -2.156 4.444 -9.526 1.00 72.22 C ATOM 322 CE1 TYR A 20 -2.312 5.744 -7.097 1.00 71.44 C ATOM 323 CE2 TYR A 20 -2.482 5.786 -9.483 1.00 61.20 C ATOM 324 CZ TYR A 20 -2.559 6.432 -8.266 1.00 25.53 C ATOM 325 OH TYR A 20 -2.886 7.769 -8.218 1.00 1.33 O ATOM 0 H TYR A 20 -1.700 -0.300 -8.782 1.00 40.24 H new ATOM 0 HA TYR A 20 -2.734 1.564 -6.749 1.00 52.21 H new ATOM 0 HB2 TYR A 20 -0.603 2.097 -7.867 1.00 72.23 H new ATOM 0 HB3 TYR A 20 -1.363 1.961 -9.440 1.00 72.23 H new ATOM 0 HD1 TYR A 20 -1.791 3.872 -6.225 1.00 53.52 H new ATOM 0 HD2 TYR A 20 -2.100 3.942 -10.480 1.00 72.22 H new ATOM 0 HE1 TYR A 20 -2.375 6.252 -6.146 1.00 71.44 H new ATOM 0 HE2 TYR A 20 -2.676 6.327 -10.398 1.00 61.20 H new ATOM 0 HH TYR A 20 -3.028 8.104 -9.128 1.00 1.33 H new ATOM 335 N HIS A 21 -4.981 1.947 -7.747 1.00 41.33 N ATOM 336 CA HIS A 21 -6.334 2.136 -8.299 1.00 32.32 C ATOM 337 C HIS A 21 -6.719 3.624 -8.435 1.00 30.42 C ATOM 338 O HIS A 21 -7.811 3.944 -8.905 1.00 62.05 O ATOM 339 CB HIS A 21 -7.364 1.404 -7.427 1.00 30.11 C ATOM 340 CG HIS A 21 -7.267 -0.095 -7.496 1.00 20.03 C ATOM 341 ND1 HIS A 21 -8.327 -0.898 -7.866 1.00 22.15 N ATOM 342 CD2 HIS A 21 -6.239 -0.941 -7.226 1.00 24.34 C ATOM 343 CE1 HIS A 21 -7.958 -2.163 -7.819 1.00 74.33 C ATOM 344 NE2 HIS A 21 -6.699 -2.219 -7.436 1.00 62.41 N ATOM 0 H HIS A 21 -4.903 2.139 -6.748 1.00 41.33 H new ATOM 0 HA HIS A 21 -6.331 1.713 -9.304 1.00 32.32 H new ATOM 0 HB2 HIS A 21 -7.238 1.719 -6.391 1.00 30.11 H new ATOM 0 HB3 HIS A 21 -8.365 1.708 -7.733 1.00 30.11 H new ATOM 0 HD2 HIS A 21 -5.246 -0.662 -6.906 1.00 24.34 H new ATOM 0 HE1 HIS A 21 -8.583 -3.011 -8.055 1.00 74.33 H new ATOM 0 HE2 HIS A 21 -6.154 -3.073 -7.315 1.00 62.41 H new ATOM 353 N GLY A 22 -5.826 4.526 -8.031 1.00 41.44 N ATOM 354 CA GLY A 22 -6.102 5.964 -8.132 1.00 70.11 C ATOM 355 C GLY A 22 -6.581 6.577 -6.816 1.00 53.14 C ATOM 356 O GLY A 22 -6.139 6.174 -5.745 1.00 20.23 O ATOM 0 H GLY A 22 -4.915 4.294 -7.635 1.00 41.44 H new ATOM 0 HA2 GLY A 22 -5.199 6.479 -8.458 1.00 70.11 H new ATOM 0 HA3 GLY A 22 -6.858 6.130 -8.899 1.00 70.11 H new ATOM 360 N ALA A 23 -7.492 7.549 -6.897 1.00 33.32 N ATOM 361 CA ALA A 23 -8.020 8.231 -5.701 1.00 23.20 C ATOM 362 C ALA A 23 -9.419 7.708 -5.326 1.00 70.32 C ATOM 363 O ALA A 23 -10.312 8.481 -4.966 1.00 33.42 O ATOM 364 CB ALA A 23 -8.059 9.737 -5.942 1.00 43.52 C ATOM 0 H ALA A 23 -7.883 7.886 -7.777 1.00 33.32 H new ATOM 0 HA ALA A 23 -7.355 8.018 -4.864 1.00 23.20 H new ATOM 0 HB1 ALA A 23 -8.450 10.237 -5.056 1.00 43.52 H new ATOM 0 HB2 ALA A 23 -7.052 10.099 -6.148 1.00 43.52 H new ATOM 0 HB3 ALA A 23 -8.704 9.953 -6.794 1.00 43.52 H new ATOM 370 N ILE A 24 -9.587 6.389 -5.386 1.00 71.41 N ATOM 371 CA ILE A 24 -10.893 5.756 -5.160 1.00 10.22 C ATOM 372 C ILE A 24 -11.371 5.887 -3.696 1.00 31.44 C ATOM 373 O ILE A 24 -10.574 6.113 -2.777 1.00 11.02 O ATOM 374 CB ILE A 24 -10.863 4.252 -5.550 1.00 30.22 C ATOM 375 CG1 ILE A 24 -9.952 3.458 -4.599 1.00 71.42 C ATOM 376 CG2 ILE A 24 -10.408 4.084 -6.997 1.00 4.24 C ATOM 377 CD1 ILE A 24 -9.964 1.964 -4.845 1.00 12.33 C ATOM 0 H ILE A 24 -8.834 5.732 -5.590 1.00 71.41 H new ATOM 0 HA ILE A 24 -11.598 6.288 -5.798 1.00 10.22 H new ATOM 0 HB ILE A 24 -11.874 3.856 -5.459 1.00 30.22 H new ATOM 0 HG12 ILE A 24 -8.930 3.825 -4.699 1.00 71.42 H new ATOM 0 HG13 ILE A 24 -10.260 3.650 -3.571 1.00 71.42 H new ATOM 0 HG21 ILE A 24 -10.393 3.025 -7.253 1.00 4.24 H new ATOM 0 HG22 ILE A 24 -11.098 4.607 -7.659 1.00 4.24 H new ATOM 0 HG23 ILE A 24 -9.407 4.500 -7.114 1.00 4.24 H new ATOM 0 HD11 ILE A 24 -9.298 1.473 -4.136 1.00 12.33 H new ATOM 0 HD12 ILE A 24 -10.977 1.582 -4.716 1.00 12.33 H new ATOM 0 HD13 ILE A 24 -9.626 1.760 -5.861 1.00 12.33 H new ATOM 389 N PRO A 25 -12.692 5.748 -3.462 1.00 74.22 N ATOM 390 CA PRO A 25 -13.270 5.800 -2.110 1.00 13.24 C ATOM 391 C PRO A 25 -12.940 4.554 -1.266 1.00 61.52 C ATOM 392 O PRO A 25 -12.600 3.493 -1.800 1.00 61.24 O ATOM 393 CB PRO A 25 -14.779 5.883 -2.381 1.00 41.43 C ATOM 394 CG PRO A 25 -14.957 5.201 -3.695 1.00 1.11 C ATOM 395 CD PRO A 25 -13.731 5.541 -4.497 1.00 23.12 C ATOM 0 HA PRO A 25 -12.873 6.634 -1.532 1.00 13.24 H new ATOM 0 HB2 PRO A 25 -15.352 5.389 -1.596 1.00 41.43 H new ATOM 0 HB3 PRO A 25 -15.119 6.918 -2.421 1.00 41.43 H new ATOM 0 HG2 PRO A 25 -15.055 4.123 -3.567 1.00 1.11 H new ATOM 0 HG3 PRO A 25 -15.861 5.546 -4.196 1.00 1.11 H new ATOM 0 HD2 PRO A 25 -13.462 4.736 -5.181 1.00 23.12 H new ATOM 0 HD3 PRO A 25 -13.881 6.436 -5.101 1.00 23.12 H new ATOM 403 N ARG A 26 -13.066 4.684 0.055 1.00 32.54 N ATOM 404 CA ARG A 26 -12.774 3.578 0.973 1.00 40.32 C ATOM 405 C ARG A 26 -13.632 2.342 0.657 1.00 3.11 C ATOM 406 O ARG A 26 -13.200 1.207 0.875 1.00 2.04 O ATOM 407 CB ARG A 26 -12.989 4.022 2.431 1.00 42.31 C ATOM 408 CG ARG A 26 -12.659 2.945 3.463 1.00 42.32 C ATOM 409 CD ARG A 26 -12.758 3.479 4.890 1.00 72.10 C ATOM 410 NE ARG A 26 -14.099 3.965 5.212 1.00 53.31 N ATOM 411 CZ ARG A 26 -14.351 5.123 5.762 1.00 14.15 C ATOM 412 NH1 ARG A 26 -13.394 5.944 6.050 1.00 43.22 N ATOM 413 NH2 ARG A 26 -15.572 5.457 6.019 1.00 4.22 N ATOM 0 H ARG A 26 -13.368 5.543 0.515 1.00 32.54 H new ATOM 0 HA ARG A 26 -11.729 3.300 0.838 1.00 40.32 H new ATOM 0 HB2 ARG A 26 -12.373 4.900 2.627 1.00 42.31 H new ATOM 0 HB3 ARG A 26 -14.028 4.326 2.558 1.00 42.31 H new ATOM 0 HG2 ARG A 26 -13.341 2.104 3.341 1.00 42.32 H new ATOM 0 HG3 ARG A 26 -11.652 2.567 3.285 1.00 42.32 H new ATOM 0 HD2 ARG A 26 -12.483 2.690 5.590 1.00 72.10 H new ATOM 0 HD3 ARG A 26 -12.040 4.288 5.023 1.00 72.10 H new ATOM 0 HE ARG A 26 -14.890 3.360 4.993 1.00 53.31 H new ATOM 0 HH11 ARG A 26 -12.427 5.691 5.848 1.00 43.22 H new ATOM 0 HH12 ARG A 26 -13.607 6.845 6.479 1.00 43.22 H new ATOM 0 HH21 ARG A 26 -16.334 4.818 5.793 1.00 4.22 H new ATOM 0 HH22 ARG A 26 -15.774 6.360 6.448 1.00 4.22 H new ATOM 427 N ILE A 27 -14.843 2.567 0.136 1.00 21.11 N ATOM 428 CA ILE A 27 -15.739 1.469 -0.249 1.00 63.34 C ATOM 429 C ILE A 27 -15.070 0.528 -1.266 1.00 31.33 C ATOM 430 O ILE A 27 -14.871 -0.651 -0.989 1.00 11.24 O ATOM 431 CB ILE A 27 -17.063 2.004 -0.852 1.00 71.54 C ATOM 432 CG1 ILE A 27 -17.820 2.859 0.177 1.00 22.40 C ATOM 433 CG2 ILE A 27 -17.943 0.855 -1.350 1.00 63.35 C ATOM 434 CD1 ILE A 27 -19.118 3.434 -0.349 1.00 25.23 C ATOM 0 H ILE A 27 -15.226 3.498 -0.029 1.00 21.11 H new ATOM 0 HA ILE A 27 -15.960 0.913 0.662 1.00 63.34 H new ATOM 0 HB ILE A 27 -16.814 2.633 -1.707 1.00 71.54 H new ATOM 0 HG12 ILE A 27 -18.032 2.251 1.056 1.00 22.40 H new ATOM 0 HG13 ILE A 27 -17.176 3.676 0.502 1.00 22.40 H new ATOM 0 HG21 ILE A 27 -18.865 1.258 -1.768 1.00 63.35 H new ATOM 0 HG22 ILE A 27 -17.410 0.295 -2.119 1.00 63.35 H new ATOM 0 HG23 ILE A 27 -18.181 0.192 -0.518 1.00 63.35 H new ATOM 0 HD11 ILE A 27 -19.597 4.025 0.432 1.00 25.23 H new ATOM 0 HD12 ILE A 27 -18.912 4.069 -1.210 1.00 25.23 H new ATOM 0 HD13 ILE A 27 -19.781 2.622 -0.647 1.00 25.23 H new ATOM 446 N GLU A 28 -14.674 1.066 -2.424 1.00 51.32 N ATOM 447 CA GLU A 28 -14.028 0.256 -3.468 1.00 73.01 C ATOM 448 C GLU A 28 -12.731 -0.383 -2.956 1.00 33.44 C ATOM 449 O GLU A 28 -12.354 -1.474 -3.383 1.00 75.01 O ATOM 450 CB GLU A 28 -13.735 1.102 -4.718 1.00 61.11 C ATOM 451 CG GLU A 28 -14.982 1.519 -5.492 1.00 3.13 C ATOM 452 CD GLU A 28 -14.657 2.193 -6.820 1.00 44.24 C ATOM 453 OE1 GLU A 28 -14.285 1.477 -7.782 1.00 0.44 O ATOM 454 OE2 GLU A 28 -14.772 3.431 -6.910 1.00 72.43 O ATOM 0 H GLU A 28 -14.787 2.051 -2.663 1.00 51.32 H new ATOM 0 HA GLU A 28 -14.722 -0.540 -3.736 1.00 73.01 H new ATOM 0 HB2 GLU A 28 -13.190 1.997 -4.419 1.00 61.11 H new ATOM 0 HB3 GLU A 28 -13.080 0.537 -5.381 1.00 61.11 H new ATOM 0 HG2 GLU A 28 -15.599 0.640 -5.678 1.00 3.13 H new ATOM 0 HG3 GLU A 28 -15.573 2.200 -4.880 1.00 3.13 H new ATOM 461 N ALA A 29 -12.063 0.306 -2.033 1.00 44.40 N ATOM 462 CA ALA A 29 -10.815 -0.189 -1.452 1.00 14.51 C ATOM 463 C ALA A 29 -11.033 -1.465 -0.620 1.00 13.21 C ATOM 464 O ALA A 29 -10.315 -2.447 -0.785 1.00 21.34 O ATOM 465 CB ALA A 29 -10.168 0.895 -0.596 1.00 14.14 C ATOM 0 H ALA A 29 -12.365 1.210 -1.670 1.00 44.40 H new ATOM 0 HA ALA A 29 -10.148 -0.446 -2.275 1.00 14.51 H new ATOM 0 HB1 ALA A 29 -9.240 0.515 -0.169 1.00 14.14 H new ATOM 0 HB2 ALA A 29 -9.953 1.767 -1.214 1.00 14.14 H new ATOM 0 HB3 ALA A 29 -10.848 1.179 0.207 1.00 14.14 H new ATOM 471 N GLN A 30 -12.026 -1.444 0.271 1.00 45.32 N ATOM 472 CA GLN A 30 -12.276 -2.582 1.171 1.00 54.53 C ATOM 473 C GLN A 30 -13.085 -3.709 0.498 1.00 31.44 C ATOM 474 O GLN A 30 -12.885 -4.881 0.807 1.00 34.45 O ATOM 475 CB GLN A 30 -13.002 -2.120 2.443 1.00 63.20 C ATOM 476 CG GLN A 30 -14.382 -1.520 2.191 1.00 51.22 C ATOM 477 CD GLN A 30 -15.158 -1.270 3.472 1.00 24.35 C ATOM 478 OE1 GLN A 30 -14.585 -1.005 4.527 1.00 43.51 O ATOM 479 NE2 GLN A 30 -16.469 -1.371 3.399 1.00 32.20 N ATOM 0 H GLN A 30 -12.668 -0.661 0.392 1.00 45.32 H new ATOM 0 HA GLN A 30 -11.298 -2.987 1.430 1.00 54.53 H new ATOM 0 HB2 GLN A 30 -13.105 -2.969 3.118 1.00 63.20 H new ATOM 0 HB3 GLN A 30 -12.384 -1.381 2.953 1.00 63.20 H new ATOM 0 HG2 GLN A 30 -14.271 -0.581 1.650 1.00 51.22 H new ATOM 0 HG3 GLN A 30 -14.954 -2.192 1.551 1.00 51.22 H new ATOM 0 HE21 GLN A 30 -16.915 -1.592 2.509 1.00 32.20 H new ATOM 0 HE22 GLN A 30 -17.039 -1.228 4.233 1.00 32.20 H new ATOM 488 N GLU A 31 -13.993 -3.358 -0.413 1.00 75.34 N ATOM 489 CA GLU A 31 -14.850 -4.361 -1.069 1.00 13.33 C ATOM 490 C GLU A 31 -14.030 -5.387 -1.874 1.00 12.31 C ATOM 491 O GLU A 31 -14.376 -6.571 -1.920 1.00 12.12 O ATOM 492 CB GLU A 31 -15.884 -3.687 -1.984 1.00 75.42 C ATOM 493 CG GLU A 31 -16.879 -2.784 -1.258 1.00 62.43 C ATOM 494 CD GLU A 31 -17.709 -3.511 -0.207 1.00 24.34 C ATOM 495 OE1 GLU A 31 -18.506 -4.399 -0.582 1.00 62.21 O ATOM 496 OE2 GLU A 31 -17.582 -3.190 0.995 1.00 21.11 O ATOM 0 H GLU A 31 -14.158 -2.398 -0.715 1.00 75.34 H new ATOM 0 HA GLU A 31 -15.371 -4.896 -0.275 1.00 13.33 H new ATOM 0 HB2 GLU A 31 -15.357 -3.097 -2.734 1.00 75.42 H new ATOM 0 HB3 GLU A 31 -16.437 -4.460 -2.518 1.00 75.42 H new ATOM 0 HG2 GLU A 31 -16.335 -1.969 -0.780 1.00 62.43 H new ATOM 0 HG3 GLU A 31 -17.549 -2.333 -1.990 1.00 62.43 H new ATOM 503 N LEU A 32 -12.945 -4.936 -2.508 1.00 64.13 N ATOM 504 CA LEU A 32 -12.088 -5.837 -3.291 1.00 70.03 C ATOM 505 C LEU A 32 -11.200 -6.696 -2.372 1.00 55.40 C ATOM 506 O LEU A 32 -10.690 -7.741 -2.783 1.00 45.41 O ATOM 507 CB LEU A 32 -11.245 -5.034 -4.307 1.00 65.23 C ATOM 508 CG LEU A 32 -10.177 -4.076 -3.734 1.00 55.33 C ATOM 509 CD1 LEU A 32 -8.889 -4.823 -3.390 1.00 73.40 C ATOM 510 CD2 LEU A 32 -9.891 -2.942 -4.720 1.00 54.24 C ATOM 0 H LEU A 32 -12.639 -3.963 -2.497 1.00 64.13 H new ATOM 0 HA LEU A 32 -12.728 -6.519 -3.851 1.00 70.03 H new ATOM 0 HB2 LEU A 32 -10.745 -5.743 -4.967 1.00 65.23 H new ATOM 0 HB3 LEU A 32 -11.927 -4.450 -4.925 1.00 65.23 H new ATOM 0 HG LEU A 32 -10.572 -3.648 -2.813 1.00 55.33 H new ATOM 0 HD11 LEU A 32 -8.157 -4.121 -2.989 1.00 73.40 H new ATOM 0 HD12 LEU A 32 -9.101 -5.591 -2.646 1.00 73.40 H new ATOM 0 HD13 LEU A 32 -8.488 -5.291 -4.289 1.00 73.40 H new ATOM 0 HD21 LEU A 32 -9.137 -2.277 -4.300 1.00 54.24 H new ATOM 0 HD22 LEU A 32 -9.525 -3.359 -5.658 1.00 54.24 H new ATOM 0 HD23 LEU A 32 -10.807 -2.381 -4.905 1.00 54.24 H new ATOM 522 N LEU A 33 -11.026 -6.243 -1.131 1.00 55.41 N ATOM 523 CA LEU A 33 -10.263 -6.979 -0.116 1.00 33.22 C ATOM 524 C LEU A 33 -11.120 -8.105 0.484 1.00 31.40 C ATOM 525 O LEU A 33 -12.054 -7.840 1.244 1.00 12.32 O ATOM 526 CB LEU A 33 -9.818 -6.015 1.000 1.00 72.43 C ATOM 527 CG LEU A 33 -8.965 -4.819 0.543 1.00 23.44 C ATOM 528 CD1 LEU A 33 -8.653 -3.891 1.713 1.00 63.51 C ATOM 529 CD2 LEU A 33 -7.678 -5.290 -0.126 1.00 44.24 C ATOM 0 H LEU A 33 -11.408 -5.358 -0.798 1.00 55.41 H new ATOM 0 HA LEU A 33 -9.384 -7.419 -0.588 1.00 33.22 H new ATOM 0 HB2 LEU A 33 -10.707 -5.634 1.502 1.00 72.43 H new ATOM 0 HB3 LEU A 33 -9.252 -6.581 1.740 1.00 72.43 H new ATOM 0 HG LEU A 33 -9.544 -4.258 -0.190 1.00 23.44 H new ATOM 0 HD11 LEU A 33 -8.049 -3.054 1.363 1.00 63.51 H new ATOM 0 HD12 LEU A 33 -9.584 -3.514 2.137 1.00 63.51 H new ATOM 0 HD13 LEU A 33 -8.103 -4.441 2.477 1.00 63.51 H new ATOM 0 HD21 LEU A 33 -7.093 -4.425 -0.440 1.00 44.24 H new ATOM 0 HD22 LEU A 33 -7.097 -5.884 0.580 1.00 44.24 H new ATOM 0 HD23 LEU A 33 -7.922 -5.898 -0.997 1.00 44.24 H new ATOM 541 N LYS A 34 -10.813 -9.360 0.150 1.00 32.11 N ATOM 542 CA LYS A 34 -11.640 -10.489 0.615 1.00 53.44 C ATOM 543 C LYS A 34 -10.836 -11.778 0.874 1.00 32.13 C ATOM 544 O LYS A 34 -11.421 -12.836 1.123 1.00 3.23 O ATOM 545 CB LYS A 34 -12.781 -10.742 -0.382 1.00 42.42 C ATOM 546 CG LYS A 34 -12.325 -10.915 -1.828 1.00 53.14 C ATOM 547 CD LYS A 34 -13.502 -10.878 -2.800 1.00 4.12 C ATOM 548 CE LYS A 34 -14.481 -12.023 -2.563 1.00 21.02 C ATOM 549 NZ LYS A 34 -13.862 -13.346 -2.834 1.00 74.11 N ATOM 0 H LYS A 34 -10.015 -9.623 -0.429 1.00 32.11 H new ATOM 0 HA LYS A 34 -12.053 -10.203 1.582 1.00 53.44 H new ATOM 0 HB2 LYS A 34 -13.324 -11.636 -0.075 1.00 42.42 H new ATOM 0 HB3 LYS A 34 -13.483 -9.910 -0.332 1.00 42.42 H new ATOM 0 HG2 LYS A 34 -11.617 -10.126 -2.083 1.00 53.14 H new ATOM 0 HG3 LYS A 34 -11.797 -11.863 -1.932 1.00 53.14 H new ATOM 0 HD2 LYS A 34 -14.026 -9.927 -2.698 1.00 4.12 H new ATOM 0 HD3 LYS A 34 -13.128 -10.928 -3.823 1.00 4.12 H new ATOM 0 HE2 LYS A 34 -14.834 -11.992 -1.532 1.00 21.02 H new ATOM 0 HE3 LYS A 34 -15.354 -11.893 -3.203 1.00 21.02 H new ATOM 0 HZ1 LYS A 34 -14.595 -14.084 -2.810 1.00 74.11 H new ATOM 0 HZ2 LYS A 34 -13.413 -13.334 -3.772 1.00 74.11 H new ATOM 0 HZ3 LYS A 34 -13.144 -13.548 -2.109 1.00 74.11 H new ATOM 563 N LYS A 35 -9.508 -11.694 0.834 1.00 53.31 N ATOM 564 CA LYS A 35 -8.649 -12.817 1.248 1.00 23.22 C ATOM 565 C LYS A 35 -7.385 -12.279 1.938 1.00 2.04 C ATOM 566 O LYS A 35 -6.875 -11.217 1.569 1.00 21.34 O ATOM 567 CB LYS A 35 -8.277 -13.709 0.045 1.00 72.52 C ATOM 568 CG LYS A 35 -7.085 -13.210 -0.769 1.00 71.24 C ATOM 569 CD LYS A 35 -6.919 -13.982 -2.076 1.00 63.42 C ATOM 570 CE LYS A 35 -7.927 -13.525 -3.125 1.00 54.11 C ATOM 571 NZ LYS A 35 -7.694 -12.114 -3.531 1.00 72.41 N ATOM 0 H LYS A 35 -8.999 -10.867 0.522 1.00 53.31 H new ATOM 0 HA LYS A 35 -9.204 -13.434 1.955 1.00 23.22 H new ATOM 0 HB2 LYS A 35 -8.058 -14.713 0.408 1.00 72.52 H new ATOM 0 HB3 LYS A 35 -9.142 -13.789 -0.613 1.00 72.52 H new ATOM 0 HG2 LYS A 35 -7.214 -12.150 -0.988 1.00 71.24 H new ATOM 0 HG3 LYS A 35 -6.176 -13.304 -0.175 1.00 71.24 H new ATOM 0 HD2 LYS A 35 -5.907 -13.842 -2.457 1.00 63.42 H new ATOM 0 HD3 LYS A 35 -7.045 -15.048 -1.889 1.00 63.42 H new ATOM 0 HE2 LYS A 35 -7.860 -14.172 -4.000 1.00 54.11 H new ATOM 0 HE3 LYS A 35 -8.937 -13.628 -2.729 1.00 54.11 H new ATOM 0 HZ1 LYS A 35 -8.552 -11.555 -3.351 1.00 72.41 H new ATOM 0 HZ2 LYS A 35 -6.903 -11.721 -2.982 1.00 72.41 H new ATOM 0 HZ3 LYS A 35 -7.464 -12.078 -4.545 1.00 72.41 H new ATOM 585 N GLN A 36 -6.891 -12.992 2.954 1.00 73.02 N ATOM 586 CA GLN A 36 -5.731 -12.520 3.723 1.00 41.13 C ATOM 587 C GLN A 36 -4.531 -12.219 2.816 1.00 2.43 C ATOM 588 O GLN A 36 -3.933 -13.127 2.231 1.00 53.22 O ATOM 589 CB GLN A 36 -5.322 -13.536 4.800 1.00 14.32 C ATOM 590 CG GLN A 36 -4.102 -13.093 5.609 1.00 21.41 C ATOM 591 CD GLN A 36 -3.683 -14.102 6.663 1.00 13.53 C ATOM 592 OE1 GLN A 36 -2.889 -15.000 6.401 1.00 65.30 O ATOM 593 NE2 GLN A 36 -4.195 -13.948 7.865 1.00 3.44 N ATOM 0 H GLN A 36 -7.269 -13.888 3.262 1.00 73.02 H new ATOM 0 HA GLN A 36 -6.036 -11.594 4.210 1.00 41.13 H new ATOM 0 HB2 GLN A 36 -6.161 -13.697 5.477 1.00 14.32 H new ATOM 0 HB3 GLN A 36 -5.108 -14.494 4.325 1.00 14.32 H new ATOM 0 HG2 GLN A 36 -3.267 -12.920 4.930 1.00 21.41 H new ATOM 0 HG3 GLN A 36 -4.322 -12.142 6.093 1.00 21.41 H new ATOM 0 HE21 GLN A 36 -4.853 -13.189 8.046 1.00 3.44 H new ATOM 0 HE22 GLN A 36 -3.934 -14.587 8.616 1.00 3.44 H new ATOM 602 N GLY A 37 -4.193 -10.940 2.696 1.00 71.31 N ATOM 603 CA GLY A 37 -3.062 -10.532 1.880 1.00 33.12 C ATOM 604 C GLY A 37 -3.385 -9.393 0.928 1.00 33.34 C ATOM 605 O GLY A 37 -2.550 -8.518 0.715 1.00 23.03 O ATOM 0 H GLY A 37 -4.686 -10.172 3.153 1.00 71.31 H new ATOM 0 HA2 GLY A 37 -2.243 -10.229 2.533 1.00 33.12 H new ATOM 0 HA3 GLY A 37 -2.711 -11.388 1.304 1.00 33.12 H new ATOM 609 N ASP A 38 -4.612 -9.385 0.389 1.00 3.31 N ATOM 610 CA ASP A 38 -5.016 -8.395 -0.623 1.00 20.32 C ATOM 611 C ASP A 38 -4.640 -6.964 -0.206 1.00 45.14 C ATOM 612 O ASP A 38 -5.015 -6.510 0.873 1.00 1.51 O ATOM 613 CB ASP A 38 -6.536 -8.449 -0.853 1.00 2.04 C ATOM 614 CG ASP A 38 -7.024 -9.777 -1.388 1.00 0.55 C ATOM 615 OD1 ASP A 38 -6.231 -10.505 -2.012 1.00 33.23 O ATOM 616 OD2 ASP A 38 -8.220 -10.098 -1.197 1.00 4.13 O ATOM 0 H ASP A 38 -5.343 -10.052 0.636 1.00 3.31 H new ATOM 0 HA ASP A 38 -4.484 -8.648 -1.540 1.00 20.32 H new ATOM 0 HB2 ASP A 38 -7.044 -8.238 0.088 1.00 2.04 H new ATOM 0 HB3 ASP A 38 -6.817 -7.661 -1.551 1.00 2.04 H new ATOM 621 N PHE A 39 -3.902 -6.258 -1.061 1.00 32.33 N ATOM 622 CA PHE A 39 -3.538 -4.865 -0.787 1.00 61.11 C ATOM 623 C PHE A 39 -3.638 -3.992 -2.046 1.00 13.14 C ATOM 624 O PHE A 39 -3.454 -4.466 -3.169 1.00 12.55 O ATOM 625 CB PHE A 39 -2.114 -4.773 -0.202 1.00 50.53 C ATOM 626 CG PHE A 39 -1.006 -5.035 -1.200 1.00 12.20 C ATOM 627 CD1 PHE A 39 -0.609 -6.329 -1.498 1.00 41.42 C ATOM 628 CD2 PHE A 39 -0.355 -3.981 -1.834 1.00 34.51 C ATOM 629 CE1 PHE A 39 0.408 -6.571 -2.406 1.00 65.24 C ATOM 630 CE2 PHE A 39 0.661 -4.218 -2.742 1.00 4.21 C ATOM 631 CZ PHE A 39 1.042 -5.514 -3.028 1.00 33.35 C ATOM 0 H PHE A 39 -3.545 -6.623 -1.944 1.00 32.33 H new ATOM 0 HA PHE A 39 -4.251 -4.488 -0.053 1.00 61.11 H new ATOM 0 HB2 PHE A 39 -1.974 -3.780 0.225 1.00 50.53 H new ATOM 0 HB3 PHE A 39 -2.025 -5.487 0.617 1.00 50.53 H new ATOM 0 HD1 PHE A 39 -1.100 -7.161 -1.015 1.00 41.42 H new ATOM 0 HD2 PHE A 39 -0.647 -2.965 -1.614 1.00 34.51 H new ATOM 0 HE1 PHE A 39 0.705 -7.585 -2.627 1.00 65.24 H new ATOM 0 HE2 PHE A 39 1.156 -3.390 -3.227 1.00 4.21 H new ATOM 0 HZ PHE A 39 1.835 -5.701 -3.737 1.00 33.35 H new ATOM 641 N LEU A 40 -3.935 -2.713 -1.842 1.00 73.50 N ATOM 642 CA LEU A 40 -3.924 -1.728 -2.929 1.00 32.15 C ATOM 643 C LEU A 40 -3.481 -0.354 -2.408 1.00 52.23 C ATOM 644 O LEU A 40 -3.779 0.016 -1.266 1.00 74.15 O ATOM 645 CB LEU A 40 -5.310 -1.589 -3.586 1.00 72.02 C ATOM 646 CG LEU A 40 -6.390 -0.905 -2.725 1.00 65.01 C ATOM 647 CD1 LEU A 40 -7.501 -0.343 -3.601 1.00 72.13 C ATOM 648 CD2 LEU A 40 -6.965 -1.875 -1.696 1.00 55.01 C ATOM 0 H LEU A 40 -4.188 -2.329 -0.932 1.00 73.50 H new ATOM 0 HA LEU A 40 -3.217 -2.087 -3.677 1.00 32.15 H new ATOM 0 HB2 LEU A 40 -5.198 -1.025 -4.512 1.00 72.02 H new ATOM 0 HB3 LEU A 40 -5.664 -2.583 -3.859 1.00 72.02 H new ATOM 0 HG LEU A 40 -5.919 -0.080 -2.191 1.00 65.01 H new ATOM 0 HD11 LEU A 40 -8.253 0.135 -2.973 1.00 72.13 H new ATOM 0 HD12 LEU A 40 -7.084 0.391 -4.291 1.00 72.13 H new ATOM 0 HD13 LEU A 40 -7.963 -1.152 -4.167 1.00 72.13 H new ATOM 0 HD21 LEU A 40 -7.725 -1.367 -1.102 1.00 55.01 H new ATOM 0 HD22 LEU A 40 -7.414 -2.725 -2.209 1.00 55.01 H new ATOM 0 HD23 LEU A 40 -6.167 -2.226 -1.041 1.00 55.01 H new ATOM 660 N VAL A 41 -2.778 0.401 -3.245 1.00 41.01 N ATOM 661 CA VAL A 41 -2.379 1.769 -2.902 1.00 22.02 C ATOM 662 C VAL A 41 -3.254 2.787 -3.646 1.00 15.04 C ATOM 663 O VAL A 41 -3.422 2.715 -4.866 1.00 10.24 O ATOM 664 CB VAL A 41 -0.886 2.036 -3.227 1.00 24.23 C ATOM 665 CG1 VAL A 41 -0.504 3.486 -2.910 1.00 11.12 C ATOM 666 CG2 VAL A 41 0.008 1.064 -2.459 1.00 64.24 C ATOM 0 H VAL A 41 -2.471 0.092 -4.167 1.00 41.01 H new ATOM 0 HA VAL A 41 -2.518 1.882 -1.827 1.00 22.02 H new ATOM 0 HB VAL A 41 -0.737 1.876 -4.295 1.00 24.23 H new ATOM 0 HG11 VAL A 41 0.548 3.645 -3.147 1.00 11.12 H new ATOM 0 HG12 VAL A 41 -1.117 4.162 -3.506 1.00 11.12 H new ATOM 0 HG13 VAL A 41 -0.671 3.683 -1.851 1.00 11.12 H new ATOM 0 HG21 VAL A 41 1.053 1.264 -2.698 1.00 64.24 H new ATOM 0 HG22 VAL A 41 -0.151 1.192 -1.388 1.00 64.24 H new ATOM 0 HG23 VAL A 41 -0.239 0.041 -2.742 1.00 64.24 H new ATOM 676 N ARG A 42 -3.825 3.721 -2.903 1.00 24.30 N ATOM 677 CA ARG A 42 -4.680 4.755 -3.484 1.00 13.44 C ATOM 678 C ARG A 42 -4.395 6.111 -2.830 1.00 42.55 C ATOM 679 O ARG A 42 -3.850 6.166 -1.732 1.00 1.42 O ATOM 680 CB ARG A 42 -6.158 4.378 -3.275 1.00 1.10 C ATOM 681 CG ARG A 42 -6.658 4.614 -1.850 1.00 32.43 C ATOM 682 CD ARG A 42 -8.074 4.094 -1.639 1.00 11.33 C ATOM 683 NE ARG A 42 -8.732 4.746 -0.508 1.00 64.24 N ATOM 684 CZ ARG A 42 -8.833 4.245 0.691 1.00 30.04 C ATOM 685 NH1 ARG A 42 -8.340 3.081 0.965 1.00 41.42 N ATOM 686 NH2 ARG A 42 -9.442 4.918 1.613 1.00 32.43 N ATOM 0 H ARG A 42 -3.714 3.788 -1.891 1.00 24.30 H new ATOM 0 HA ARG A 42 -4.470 4.830 -4.551 1.00 13.44 H new ATOM 0 HB2 ARG A 42 -6.772 4.955 -3.966 1.00 1.10 H new ATOM 0 HB3 ARG A 42 -6.295 3.327 -3.529 1.00 1.10 H new ATOM 0 HG2 ARG A 42 -5.985 4.124 -1.146 1.00 32.43 H new ATOM 0 HG3 ARG A 42 -6.629 5.681 -1.629 1.00 32.43 H new ATOM 0 HD2 ARG A 42 -8.660 4.258 -2.544 1.00 11.33 H new ATOM 0 HD3 ARG A 42 -8.044 3.018 -1.470 1.00 11.33 H new ATOM 0 HE ARG A 42 -9.144 5.665 -0.670 1.00 64.24 H new ATOM 0 HH11 ARG A 42 -7.866 2.544 0.239 1.00 41.42 H new ATOM 0 HH12 ARG A 42 -8.426 2.700 1.907 1.00 41.42 H new ATOM 0 HH21 ARG A 42 -9.838 5.833 1.399 1.00 32.43 H new ATOM 0 HH22 ARG A 42 -9.526 4.533 2.554 1.00 32.43 H new ATOM 700 N GLU A 43 -4.751 7.203 -3.497 1.00 60.40 N ATOM 701 CA GLU A 43 -4.702 8.520 -2.858 1.00 61.32 C ATOM 702 C GLU A 43 -5.953 8.710 -1.998 1.00 54.42 C ATOM 703 O GLU A 43 -7.032 8.224 -2.354 1.00 43.14 O ATOM 704 CB GLU A 43 -4.617 9.654 -3.897 1.00 45.02 C ATOM 705 CG GLU A 43 -4.445 11.043 -3.265 1.00 45.33 C ATOM 706 CD GLU A 43 -4.708 12.194 -4.232 1.00 40.02 C ATOM 707 OE1 GLU A 43 -5.873 12.644 -4.328 1.00 31.03 O ATOM 708 OE2 GLU A 43 -3.748 12.665 -4.883 1.00 1.11 O ATOM 0 H GLU A 43 -5.072 7.208 -4.465 1.00 60.40 H new ATOM 0 HA GLU A 43 -3.805 8.564 -2.240 1.00 61.32 H new ATOM 0 HB2 GLU A 43 -3.780 9.461 -4.568 1.00 45.02 H new ATOM 0 HB3 GLU A 43 -5.521 9.649 -4.506 1.00 45.02 H new ATOM 0 HG2 GLU A 43 -5.122 11.132 -2.415 1.00 45.33 H new ATOM 0 HG3 GLU A 43 -3.431 11.132 -2.875 1.00 45.33 H new ATOM 715 N SER A 44 -5.823 9.384 -0.864 1.00 23.22 N ATOM 716 CA SER A 44 -7.003 9.714 -0.058 1.00 64.03 C ATOM 717 C SER A 44 -7.926 10.637 -0.866 1.00 33.43 C ATOM 718 O SER A 44 -7.514 11.717 -1.279 1.00 72.24 O ATOM 719 CB SER A 44 -6.600 10.379 1.267 1.00 71.34 C ATOM 720 OG SER A 44 -7.740 10.744 2.032 1.00 0.25 O ATOM 0 H SER A 44 -4.935 9.710 -0.482 1.00 23.22 H new ATOM 0 HA SER A 44 -7.533 8.793 0.185 1.00 64.03 H new ATOM 0 HB2 SER A 44 -5.977 9.696 1.844 1.00 71.34 H new ATOM 0 HB3 SER A 44 -5.998 11.265 1.063 1.00 71.34 H new ATOM 0 HG SER A 44 -7.451 11.163 2.870 1.00 0.25 H new ATOM 726 N HIS A 45 -9.160 10.191 -1.105 1.00 53.30 N ATOM 727 CA HIS A 45 -10.091 10.887 -2.005 1.00 44.33 C ATOM 728 C HIS A 45 -10.133 12.408 -1.758 1.00 15.43 C ATOM 729 O HIS A 45 -10.803 12.886 -0.841 1.00 33.15 O ATOM 730 CB HIS A 45 -11.496 10.288 -1.863 1.00 73.03 C ATOM 731 CG HIS A 45 -12.510 10.888 -2.791 1.00 5.02 C ATOM 732 ND1 HIS A 45 -13.444 11.812 -2.380 1.00 25.53 N ATOM 733 CD2 HIS A 45 -12.737 10.696 -4.115 1.00 34.40 C ATOM 734 CE1 HIS A 45 -14.200 12.161 -3.401 1.00 73.42 C ATOM 735 NE2 HIS A 45 -13.793 11.501 -4.466 1.00 2.03 N ATOM 0 H HIS A 45 -9.544 9.344 -0.686 1.00 53.30 H new ATOM 0 HA HIS A 45 -9.727 10.743 -3.022 1.00 44.33 H new ATOM 0 HB2 HIS A 45 -11.442 9.215 -2.044 1.00 73.03 H new ATOM 0 HB3 HIS A 45 -11.835 10.421 -0.836 1.00 73.03 H new ATOM 0 HD2 HIS A 45 -12.190 10.034 -4.770 1.00 34.40 H new ATOM 0 HE1 HIS A 45 -15.015 12.868 -3.370 1.00 73.42 H new ATOM 0 HE2 HIS A 45 -14.197 11.576 -5.400 1.00 2.03 H new ATOM 744 N GLY A 46 -9.397 13.153 -2.581 1.00 23.22 N ATOM 745 CA GLY A 46 -9.354 14.607 -2.465 1.00 52.21 C ATOM 746 C GLY A 46 -8.250 15.105 -1.533 1.00 62.31 C ATOM 747 O GLY A 46 -8.389 16.153 -0.897 1.00 10.41 O ATOM 0 H GLY A 46 -8.823 12.773 -3.334 1.00 23.22 H new ATOM 0 HA2 GLY A 46 -9.207 15.040 -3.455 1.00 52.21 H new ATOM 0 HA3 GLY A 46 -10.317 14.964 -2.100 1.00 52.21 H new ATOM 751 N LYS A 47 -7.149 14.360 -1.456 1.00 2.12 N ATOM 752 CA LYS A 47 -6.029 14.708 -0.570 1.00 32.22 C ATOM 753 C LYS A 47 -4.699 14.688 -1.348 1.00 44.23 C ATOM 754 O LYS A 47 -3.939 13.714 -1.285 1.00 2.54 O ATOM 755 CB LYS A 47 -5.987 13.721 0.606 1.00 61.21 C ATOM 756 CG LYS A 47 -5.138 14.159 1.795 1.00 71.25 C ATOM 757 CD LYS A 47 -5.650 15.458 2.409 1.00 63.13 C ATOM 758 CE LYS A 47 -5.124 15.662 3.825 1.00 42.20 C ATOM 759 NZ LYS A 47 -3.647 15.507 3.909 1.00 12.23 N ATOM 0 H LYS A 47 -7.004 13.507 -1.997 1.00 2.12 H new ATOM 0 HA LYS A 47 -6.174 15.717 -0.183 1.00 32.22 H new ATOM 0 HB2 LYS A 47 -7.006 13.550 0.952 1.00 61.21 H new ATOM 0 HB3 LYS A 47 -5.609 12.765 0.243 1.00 61.21 H new ATOM 0 HG2 LYS A 47 -5.140 13.374 2.551 1.00 71.25 H new ATOM 0 HG3 LYS A 47 -4.105 14.291 1.475 1.00 71.25 H new ATOM 0 HD2 LYS A 47 -5.348 16.299 1.785 1.00 63.13 H new ATOM 0 HD3 LYS A 47 -6.740 15.448 2.424 1.00 63.13 H new ATOM 0 HE2 LYS A 47 -5.403 16.657 4.173 1.00 42.20 H new ATOM 0 HE3 LYS A 47 -5.600 14.945 4.494 1.00 42.20 H new ATOM 0 HZ1 LYS A 47 -3.251 16.268 4.496 1.00 12.23 H new ATOM 0 HZ2 LYS A 47 -3.418 14.586 4.335 1.00 12.23 H new ATOM 0 HZ3 LYS A 47 -3.238 15.558 2.954 1.00 12.23 H new ATOM 773 N PRO A 48 -4.406 15.765 -2.103 1.00 64.22 N ATOM 774 CA PRO A 48 -3.228 15.827 -2.988 1.00 2.51 C ATOM 775 C PRO A 48 -1.902 15.518 -2.275 1.00 23.33 C ATOM 776 O PRO A 48 -1.511 16.210 -1.331 1.00 31.13 O ATOM 777 CB PRO A 48 -3.242 17.277 -3.499 1.00 2.41 C ATOM 778 CG PRO A 48 -4.664 17.702 -3.385 1.00 60.13 C ATOM 779 CD PRO A 48 -5.198 17.006 -2.162 1.00 50.53 C ATOM 0 HA PRO A 48 -3.287 15.075 -3.774 1.00 2.51 H new ATOM 0 HB2 PRO A 48 -2.589 17.914 -2.902 1.00 2.41 H new ATOM 0 HB3 PRO A 48 -2.892 17.338 -4.529 1.00 2.41 H new ATOM 0 HG2 PRO A 48 -4.743 18.785 -3.286 1.00 60.13 H new ATOM 0 HG3 PRO A 48 -5.229 17.422 -4.274 1.00 60.13 H new ATOM 0 HD2 PRO A 48 -5.065 17.611 -1.265 1.00 50.53 H new ATOM 0 HD3 PRO A 48 -6.264 16.798 -2.251 1.00 50.53 H new ATOM 787 N GLY A 49 -1.226 14.465 -2.724 1.00 75.41 N ATOM 788 CA GLY A 49 0.092 14.135 -2.194 1.00 64.40 C ATOM 789 C GLY A 49 0.060 13.335 -0.895 1.00 15.41 C ATOM 790 O GLY A 49 1.036 13.336 -0.140 1.00 53.43 O ATOM 0 H GLY A 49 -1.565 13.831 -3.447 1.00 75.41 H new ATOM 0 HA2 GLY A 49 0.641 13.567 -2.944 1.00 64.40 H new ATOM 0 HA3 GLY A 49 0.645 15.059 -2.025 1.00 64.40 H new ATOM 794 N GLU A 50 -1.054 12.659 -0.617 1.00 30.44 N ATOM 795 CA GLU A 50 -1.140 11.769 0.545 1.00 73.53 C ATOM 796 C GLU A 50 -1.902 10.482 0.198 1.00 52.44 C ATOM 797 O GLU A 50 -3.125 10.483 0.038 1.00 41.54 O ATOM 798 CB GLU A 50 -1.792 12.496 1.733 1.00 3.24 C ATOM 799 CG GLU A 50 -1.807 11.678 3.024 1.00 3.24 C ATOM 800 CD GLU A 50 -2.138 12.516 4.252 1.00 63.12 C ATOM 801 OE1 GLU A 50 -3.321 12.865 4.441 1.00 13.31 O ATOM 802 OE2 GLU A 50 -1.216 12.827 5.039 1.00 42.51 O ATOM 0 H GLU A 50 -1.906 12.708 -1.176 1.00 30.44 H new ATOM 0 HA GLU A 50 -0.128 11.485 0.834 1.00 73.53 H new ATOM 0 HB2 GLU A 50 -1.259 13.430 1.912 1.00 3.24 H new ATOM 0 HB3 GLU A 50 -2.816 12.759 1.468 1.00 3.24 H new ATOM 0 HG2 GLU A 50 -2.538 10.875 2.931 1.00 3.24 H new ATOM 0 HG3 GLU A 50 -0.833 11.209 3.162 1.00 3.24 H new ATOM 809 N TYR A 51 -1.161 9.384 0.070 1.00 12.32 N ATOM 810 CA TYR A 51 -1.728 8.097 -0.348 1.00 22.42 C ATOM 811 C TYR A 51 -1.977 7.169 0.849 1.00 51.51 C ATOM 812 O TYR A 51 -1.186 7.120 1.789 1.00 40.11 O ATOM 813 CB TYR A 51 -0.789 7.405 -1.348 1.00 42.03 C ATOM 814 CG TYR A 51 -0.662 8.120 -2.682 1.00 53.11 C ATOM 815 CD1 TYR A 51 -0.094 9.388 -2.769 1.00 64.35 C ATOM 816 CD2 TYR A 51 -1.108 7.522 -3.856 1.00 52.33 C ATOM 817 CE1 TYR A 51 0.024 10.035 -3.984 1.00 44.14 C ATOM 818 CE2 TYR A 51 -0.989 8.162 -5.073 1.00 54.23 C ATOM 819 CZ TYR A 51 -0.426 9.417 -5.133 1.00 54.54 C ATOM 820 OH TYR A 51 -0.302 10.051 -6.348 1.00 14.41 O ATOM 0 H TYR A 51 -0.158 9.357 0.251 1.00 12.32 H new ATOM 0 HA TYR A 51 -2.687 8.301 -0.823 1.00 22.42 H new ATOM 0 HB2 TYR A 51 0.201 7.318 -0.899 1.00 42.03 H new ATOM 0 HB3 TYR A 51 -1.149 6.391 -1.525 1.00 42.03 H new ATOM 0 HD1 TYR A 51 0.260 9.874 -1.872 1.00 64.35 H new ATOM 0 HD2 TYR A 51 -1.555 6.540 -3.814 1.00 52.33 H new ATOM 0 HE1 TYR A 51 0.466 11.019 -4.034 1.00 44.14 H new ATOM 0 HE2 TYR A 51 -1.336 7.680 -5.975 1.00 54.23 H new ATOM 0 HH TYR A 51 -0.667 9.478 -7.055 1.00 14.41 H new ATOM 830 N VAL A 52 -3.084 6.433 0.798 1.00 45.05 N ATOM 831 CA VAL A 52 -3.436 5.470 1.844 1.00 11.22 C ATOM 832 C VAL A 52 -3.414 4.025 1.311 1.00 20.51 C ATOM 833 O VAL A 52 -4.100 3.690 0.338 1.00 32.35 O ATOM 834 CB VAL A 52 -4.838 5.777 2.438 1.00 23.34 C ATOM 835 CG1 VAL A 52 -5.195 4.782 3.546 1.00 70.14 C ATOM 836 CG2 VAL A 52 -4.898 7.216 2.956 1.00 52.22 C ATOM 0 H VAL A 52 -3.760 6.485 0.036 1.00 45.05 H new ATOM 0 HA VAL A 52 -2.686 5.566 2.629 1.00 11.22 H new ATOM 0 HB VAL A 52 -5.576 5.668 1.643 1.00 23.34 H new ATOM 0 HG11 VAL A 52 -6.181 5.020 3.945 1.00 70.14 H new ATOM 0 HG12 VAL A 52 -5.202 3.771 3.139 1.00 70.14 H new ATOM 0 HG13 VAL A 52 -4.456 4.846 4.345 1.00 70.14 H new ATOM 0 HG21 VAL A 52 -5.887 7.413 3.368 1.00 52.22 H new ATOM 0 HG22 VAL A 52 -4.147 7.355 3.733 1.00 52.22 H new ATOM 0 HG23 VAL A 52 -4.703 7.906 2.136 1.00 52.22 H new ATOM 846 N LEU A 53 -2.630 3.175 1.962 1.00 14.24 N ATOM 847 CA LEU A 53 -2.571 1.747 1.635 1.00 52.44 C ATOM 848 C LEU A 53 -3.660 0.979 2.393 1.00 71.31 C ATOM 849 O LEU A 53 -3.825 1.141 3.603 1.00 45.14 O ATOM 850 CB LEU A 53 -1.186 1.185 1.995 1.00 71.23 C ATOM 851 CG LEU A 53 -1.023 -0.342 1.856 1.00 12.51 C ATOM 852 CD1 LEU A 53 -1.193 -0.787 0.407 1.00 21.02 C ATOM 853 CD2 LEU A 53 0.329 -0.791 2.403 1.00 72.31 C ATOM 0 H LEU A 53 -2.017 3.450 2.730 1.00 14.24 H new ATOM 0 HA LEU A 53 -2.740 1.626 0.565 1.00 52.44 H new ATOM 0 HB2 LEU A 53 -0.443 1.670 1.362 1.00 71.23 H new ATOM 0 HB3 LEU A 53 -0.958 1.463 3.024 1.00 71.23 H new ATOM 0 HG LEU A 53 -1.808 -0.817 2.445 1.00 12.51 H new ATOM 0 HD11 LEU A 53 -1.072 -1.868 0.342 1.00 21.02 H new ATOM 0 HD12 LEU A 53 -2.187 -0.511 0.056 1.00 21.02 H new ATOM 0 HD13 LEU A 53 -0.441 -0.300 -0.214 1.00 21.02 H new ATOM 0 HD21 LEU A 53 0.424 -1.872 2.296 1.00 72.31 H new ATOM 0 HD22 LEU A 53 1.128 -0.299 1.848 1.00 72.31 H new ATOM 0 HD23 LEU A 53 0.402 -0.523 3.457 1.00 72.31 H new ATOM 865 N SER A 54 -4.415 0.152 1.678 1.00 30.42 N ATOM 866 CA SER A 54 -5.483 -0.646 2.296 1.00 75.23 C ATOM 867 C SER A 54 -5.266 -2.142 2.035 1.00 55.34 C ATOM 868 O SER A 54 -5.190 -2.572 0.884 1.00 61.11 O ATOM 869 CB SER A 54 -6.854 -0.183 1.777 1.00 62.42 C ATOM 870 OG SER A 54 -7.114 1.158 2.176 1.00 63.51 O ATOM 0 H SER A 54 -4.313 0.013 0.673 1.00 30.42 H new ATOM 0 HA SER A 54 -5.456 -0.494 3.375 1.00 75.23 H new ATOM 0 HB2 SER A 54 -6.881 -0.256 0.690 1.00 62.42 H new ATOM 0 HB3 SER A 54 -7.635 -0.840 2.160 1.00 62.42 H new ATOM 0 HG SER A 54 -7.636 1.157 3.005 1.00 63.51 H new ATOM 876 N VAL A 55 -5.165 -2.924 3.111 1.00 14.43 N ATOM 877 CA VAL A 55 -4.810 -4.349 3.015 1.00 43.15 C ATOM 878 C VAL A 55 -5.695 -5.233 3.920 1.00 65.20 C ATOM 879 O VAL A 55 -6.143 -4.806 4.984 1.00 65.35 O ATOM 880 CB VAL A 55 -3.311 -4.557 3.366 1.00 51.25 C ATOM 881 CG1 VAL A 55 -2.982 -3.948 4.728 1.00 34.24 C ATOM 882 CG2 VAL A 55 -2.920 -6.038 3.321 1.00 3.43 C ATOM 0 H VAL A 55 -5.324 -2.597 4.064 1.00 14.43 H new ATOM 0 HA VAL A 55 -4.987 -4.657 1.984 1.00 43.15 H new ATOM 0 HB VAL A 55 -2.722 -4.040 2.608 1.00 51.25 H new ATOM 0 HG11 VAL A 55 -1.927 -4.106 4.952 1.00 34.24 H new ATOM 0 HG12 VAL A 55 -3.193 -2.879 4.709 1.00 34.24 H new ATOM 0 HG13 VAL A 55 -3.591 -4.424 5.496 1.00 34.24 H new ATOM 0 HG21 VAL A 55 -1.865 -6.143 3.572 1.00 3.43 H new ATOM 0 HG22 VAL A 55 -3.521 -6.595 4.039 1.00 3.43 H new ATOM 0 HG23 VAL A 55 -3.096 -6.430 2.319 1.00 3.43 H new ATOM 892 N TYR A 56 -5.932 -6.469 3.484 1.00 21.02 N ATOM 893 CA TYR A 56 -6.815 -7.407 4.188 1.00 42.34 C ATOM 894 C TYR A 56 -6.018 -8.343 5.120 1.00 44.55 C ATOM 895 O TYR A 56 -5.273 -9.208 4.656 1.00 10.25 O ATOM 896 CB TYR A 56 -7.589 -8.234 3.152 1.00 50.34 C ATOM 897 CG TYR A 56 -8.785 -8.991 3.702 1.00 14.12 C ATOM 898 CD1 TYR A 56 -10.047 -8.410 3.720 1.00 50.43 C ATOM 899 CD2 TYR A 56 -8.662 -10.292 4.179 1.00 35.15 C ATOM 900 CE1 TYR A 56 -11.145 -9.098 4.193 1.00 20.53 C ATOM 901 CE2 TYR A 56 -9.755 -10.985 4.657 1.00 21.14 C ATOM 902 CZ TYR A 56 -10.994 -10.385 4.659 1.00 44.13 C ATOM 903 OH TYR A 56 -12.090 -11.076 5.129 1.00 64.22 O ATOM 0 H TYR A 56 -5.519 -6.852 2.633 1.00 21.02 H new ATOM 0 HA TYR A 56 -7.507 -6.836 4.808 1.00 42.34 H new ATOM 0 HB2 TYR A 56 -7.932 -7.568 2.360 1.00 50.34 H new ATOM 0 HB3 TYR A 56 -6.905 -8.948 2.694 1.00 50.34 H new ATOM 0 HD1 TYR A 56 -10.171 -7.400 3.357 1.00 50.43 H new ATOM 0 HD2 TYR A 56 -7.693 -10.768 4.175 1.00 35.15 H new ATOM 0 HE1 TYR A 56 -12.118 -8.630 4.198 1.00 20.53 H new ATOM 0 HE2 TYR A 56 -9.639 -11.993 5.028 1.00 21.14 H new ATOM 0 HH TYR A 56 -11.813 -11.970 5.419 1.00 64.22 H new ATOM 913 N SER A 57 -6.188 -8.178 6.431 1.00 30.35 N ATOM 914 CA SER A 57 -5.451 -8.986 7.424 1.00 23.43 C ATOM 915 C SER A 57 -6.400 -9.657 8.430 1.00 33.41 C ATOM 916 O SER A 57 -7.132 -8.983 9.153 1.00 70.24 O ATOM 917 CB SER A 57 -4.441 -8.107 8.177 1.00 53.21 C ATOM 918 OG SER A 57 -3.732 -8.851 9.158 1.00 14.43 O ATOM 0 H SER A 57 -6.827 -7.495 6.838 1.00 30.35 H new ATOM 0 HA SER A 57 -4.924 -9.770 6.881 1.00 23.43 H new ATOM 0 HB2 SER A 57 -3.736 -7.673 7.468 1.00 53.21 H new ATOM 0 HB3 SER A 57 -4.964 -7.278 8.655 1.00 53.21 H new ATOM 0 HG SER A 57 -3.096 -8.264 9.618 1.00 14.43 H new ATOM 924 N ASP A 58 -6.394 -10.994 8.438 1.00 43.02 N ATOM 925 CA ASP A 58 -7.171 -11.801 9.400 1.00 72.03 C ATOM 926 C ASP A 58 -8.695 -11.570 9.294 1.00 11.23 C ATOM 927 O ASP A 58 -9.460 -12.052 10.130 1.00 4.01 O ATOM 928 CB ASP A 58 -6.703 -11.521 10.838 1.00 54.10 C ATOM 929 CG ASP A 58 -5.208 -11.711 11.034 1.00 14.33 C ATOM 930 OD1 ASP A 58 -4.570 -12.412 10.216 1.00 22.13 O ATOM 931 OD2 ASP A 58 -4.659 -11.154 12.010 1.00 23.24 O ATOM 0 H ASP A 58 -5.852 -11.553 7.779 1.00 43.02 H new ATOM 0 HA ASP A 58 -6.986 -12.844 9.145 1.00 72.03 H new ATOM 0 HB2 ASP A 58 -6.970 -10.499 11.107 1.00 54.10 H new ATOM 0 HB3 ASP A 58 -7.238 -12.180 11.521 1.00 54.10 H new ATOM 936 N GLY A 59 -9.132 -10.856 8.258 1.00 51.44 N ATOM 937 CA GLY A 59 -10.551 -10.527 8.106 1.00 64.25 C ATOM 938 C GLY A 59 -10.817 -9.024 8.180 1.00 30.43 C ATOM 939 O GLY A 59 -11.835 -8.536 7.683 1.00 4.20 O ATOM 0 H GLY A 59 -8.531 -10.496 7.516 1.00 51.44 H new ATOM 0 HA2 GLY A 59 -10.908 -10.909 7.150 1.00 64.25 H new ATOM 0 HA3 GLY A 59 -11.123 -11.032 8.884 1.00 64.25 H new ATOM 943 N GLN A 60 -9.893 -8.293 8.792 1.00 75.35 N ATOM 944 CA GLN A 60 -10.021 -6.840 8.974 1.00 72.21 C ATOM 945 C GLN A 60 -9.250 -6.075 7.885 1.00 34.41 C ATOM 946 O GLN A 60 -8.136 -6.460 7.523 1.00 52.40 O ATOM 947 CB GLN A 60 -9.476 -6.462 10.357 1.00 22.11 C ATOM 948 CG GLN A 60 -10.061 -7.295 11.495 1.00 52.42 C ATOM 949 CD GLN A 60 -9.338 -7.078 12.816 1.00 34.23 C ATOM 950 OE1 GLN A 60 -8.370 -7.762 13.124 1.00 52.13 O ATOM 951 NE2 GLN A 60 -9.798 -6.127 13.603 1.00 25.31 N ATOM 0 H GLN A 60 -9.033 -8.683 9.178 1.00 75.35 H new ATOM 0 HA GLN A 60 -11.073 -6.567 8.896 1.00 72.21 H new ATOM 0 HB2 GLN A 60 -8.392 -6.577 10.355 1.00 22.11 H new ATOM 0 HB3 GLN A 60 -9.685 -5.409 10.545 1.00 22.11 H new ATOM 0 HG2 GLN A 60 -11.115 -7.045 11.617 1.00 52.42 H new ATOM 0 HG3 GLN A 60 -10.012 -8.351 11.229 1.00 52.42 H new ATOM 0 HE21 GLN A 60 -10.607 -5.575 13.317 1.00 25.31 H new ATOM 0 HE22 GLN A 60 -9.346 -5.943 14.498 1.00 25.31 H new ATOM 960 N ARG A 61 -9.828 -4.994 7.357 1.00 51.41 N ATOM 961 CA ARG A 61 -9.144 -4.198 6.329 1.00 23.31 C ATOM 962 C ARG A 61 -8.333 -3.054 6.960 1.00 4.24 C ATOM 963 O ARG A 61 -8.885 -2.035 7.382 1.00 10.41 O ATOM 964 CB ARG A 61 -10.141 -3.644 5.296 1.00 5.34 C ATOM 965 CG ARG A 61 -10.855 -4.721 4.475 1.00 54.30 C ATOM 966 CD ARG A 61 -12.024 -5.352 5.228 1.00 74.45 C ATOM 967 NE ARG A 61 -13.076 -4.375 5.493 1.00 24.30 N ATOM 968 CZ ARG A 61 -14.351 -4.600 5.326 1.00 32.34 C ATOM 969 NH1 ARG A 61 -14.778 -5.777 4.994 1.00 70.15 N ATOM 970 NH2 ARG A 61 -15.204 -3.645 5.515 1.00 74.44 N ATOM 0 H ARG A 61 -10.753 -4.652 7.617 1.00 51.41 H new ATOM 0 HA ARG A 61 -8.452 -4.862 5.811 1.00 23.31 H new ATOM 0 HB2 ARG A 61 -10.888 -3.043 5.814 1.00 5.34 H new ATOM 0 HB3 ARG A 61 -9.610 -2.977 4.617 1.00 5.34 H new ATOM 0 HG2 ARG A 61 -11.220 -4.283 3.546 1.00 54.30 H new ATOM 0 HG3 ARG A 61 -10.141 -5.498 4.202 1.00 54.30 H new ATOM 0 HD2 ARG A 61 -12.431 -6.178 4.645 1.00 74.45 H new ATOM 0 HD3 ARG A 61 -11.669 -5.771 6.169 1.00 74.45 H new ATOM 0 HE ARG A 61 -12.796 -3.454 5.831 1.00 24.30 H new ATOM 0 HH11 ARG A 61 -14.115 -6.541 4.860 1.00 70.15 H new ATOM 0 HH12 ARG A 61 -15.777 -5.940 4.867 1.00 70.15 H new ATOM 0 HH21 ARG A 61 -14.879 -2.719 5.794 1.00 74.44 H new ATOM 0 HH22 ARG A 61 -16.201 -3.818 5.385 1.00 74.44 H new ATOM 984 N ARG A 62 -7.014 -3.235 7.007 1.00 12.21 N ATOM 985 CA ARG A 62 -6.104 -2.262 7.617 1.00 70.44 C ATOM 986 C ARG A 62 -5.823 -1.091 6.663 1.00 4.52 C ATOM 987 O ARG A 62 -5.880 -1.245 5.441 1.00 61.41 O ATOM 988 CB ARG A 62 -4.787 -2.956 8.003 1.00 21.20 C ATOM 989 CG ARG A 62 -4.979 -4.195 8.874 1.00 54.02 C ATOM 990 CD ARG A 62 -5.581 -3.850 10.235 1.00 43.25 C ATOM 991 NE ARG A 62 -4.645 -3.113 11.085 1.00 72.34 N ATOM 992 CZ ARG A 62 -4.967 -2.088 11.828 1.00 1.20 C ATOM 993 NH1 ARG A 62 -6.172 -1.607 11.805 1.00 74.41 N ATOM 994 NH2 ARG A 62 -4.078 -1.544 12.592 1.00 41.21 N ATOM 0 H ARG A 62 -6.546 -4.057 6.625 1.00 12.21 H new ATOM 0 HA ARG A 62 -6.580 -1.860 8.512 1.00 70.44 H new ATOM 0 HB2 ARG A 62 -4.256 -3.240 7.094 1.00 21.20 H new ATOM 0 HB3 ARG A 62 -4.153 -2.245 8.533 1.00 21.20 H new ATOM 0 HG2 ARG A 62 -5.629 -4.903 8.359 1.00 54.02 H new ATOM 0 HG3 ARG A 62 -4.018 -4.690 9.017 1.00 54.02 H new ATOM 0 HD2 ARG A 62 -6.483 -3.255 10.091 1.00 43.25 H new ATOM 0 HD3 ARG A 62 -5.882 -4.768 10.740 1.00 43.25 H new ATOM 0 HE ARG A 62 -3.673 -3.421 11.098 1.00 72.34 H new ATOM 0 HH11 ARG A 62 -6.878 -2.030 11.203 1.00 74.41 H new ATOM 0 HH12 ARG A 62 -6.413 -0.806 12.389 1.00 74.41 H new ATOM 0 HH21 ARG A 62 -3.128 -1.915 12.614 1.00 41.21 H new ATOM 0 HH22 ARG A 62 -4.326 -0.743 13.173 1.00 41.21 H new ATOM 1008 N HIS A 63 -5.523 0.081 7.223 1.00 22.32 N ATOM 1009 CA HIS A 63 -5.262 1.281 6.416 1.00 71.53 C ATOM 1010 C HIS A 63 -4.039 2.048 6.947 1.00 21.32 C ATOM 1011 O HIS A 63 -4.039 2.516 8.084 1.00 22.31 O ATOM 1012 CB HIS A 63 -6.492 2.202 6.420 1.00 12.43 C ATOM 1013 CG HIS A 63 -7.770 1.498 6.086 1.00 54.40 C ATOM 1014 ND1 HIS A 63 -8.059 1.020 4.827 1.00 75.03 N ATOM 1015 CD2 HIS A 63 -8.836 1.176 6.859 1.00 74.02 C ATOM 1016 CE1 HIS A 63 -9.240 0.438 4.838 1.00 14.41 C ATOM 1017 NE2 HIS A 63 -9.730 0.517 6.054 1.00 74.25 N ATOM 0 H HIS A 63 -5.454 0.229 8.230 1.00 22.32 H new ATOM 0 HA HIS A 63 -5.054 0.961 5.395 1.00 71.53 H new ATOM 0 HB2 HIS A 63 -6.587 2.663 7.403 1.00 12.43 H new ATOM 0 HB3 HIS A 63 -6.334 3.009 5.704 1.00 12.43 H new ATOM 0 HD2 HIS A 63 -8.958 1.396 7.909 1.00 74.02 H new ATOM 0 HE1 HIS A 63 -9.724 -0.026 3.991 1.00 14.41 H new ATOM 0 HE2 HIS A 63 -10.632 0.147 6.352 1.00 74.25 H new ATOM 1026 N PHE A 64 -3.006 2.174 6.118 1.00 11.52 N ATOM 1027 CA PHE A 64 -1.780 2.894 6.498 1.00 71.21 C ATOM 1028 C PHE A 64 -1.565 4.114 5.593 1.00 22.33 C ATOM 1029 O PHE A 64 -1.785 4.044 4.387 1.00 13.13 O ATOM 1030 CB PHE A 64 -0.567 1.957 6.412 1.00 45.13 C ATOM 1031 CG PHE A 64 -0.739 0.680 7.194 1.00 45.25 C ATOM 1032 CD1 PHE A 64 -0.741 0.695 8.581 1.00 11.12 C ATOM 1033 CD2 PHE A 64 -0.911 -0.533 6.541 1.00 3.42 C ATOM 1034 CE1 PHE A 64 -0.908 -0.475 9.300 1.00 61.44 C ATOM 1035 CE2 PHE A 64 -1.079 -1.704 7.255 1.00 31.22 C ATOM 1036 CZ PHE A 64 -1.078 -1.674 8.637 1.00 24.00 C ATOM 0 H PHE A 64 -2.988 1.788 5.174 1.00 11.52 H new ATOM 0 HA PHE A 64 -1.891 3.240 7.526 1.00 71.21 H new ATOM 0 HB2 PHE A 64 -0.381 1.712 5.366 1.00 45.13 H new ATOM 0 HB3 PHE A 64 0.315 2.482 6.778 1.00 45.13 H new ATOM 0 HD1 PHE A 64 -0.611 1.630 9.105 1.00 11.12 H new ATOM 0 HD2 PHE A 64 -0.914 -0.562 5.461 1.00 3.42 H new ATOM 0 HE1 PHE A 64 -0.905 -0.450 10.380 1.00 61.44 H new ATOM 0 HE2 PHE A 64 -1.211 -2.641 6.734 1.00 31.22 H new ATOM 0 HZ PHE A 64 -1.210 -2.588 9.198 1.00 24.00 H new ATOM 1046 N ILE A 65 -1.141 5.232 6.175 1.00 23.32 N ATOM 1047 CA ILE A 65 -0.954 6.476 5.416 1.00 42.34 C ATOM 1048 C ILE A 65 0.526 6.712 5.066 1.00 20.14 C ATOM 1049 O ILE A 65 1.409 6.498 5.897 1.00 74.34 O ATOM 1050 CB ILE A 65 -1.496 7.697 6.202 1.00 60.34 C ATOM 1051 CG1 ILE A 65 -2.964 7.467 6.609 1.00 64.21 C ATOM 1052 CG2 ILE A 65 -1.362 8.974 5.369 1.00 62.42 C ATOM 1053 CD1 ILE A 65 -3.569 8.608 7.402 1.00 41.42 C ATOM 0 H ILE A 65 -0.919 5.308 7.168 1.00 23.32 H new ATOM 0 HA ILE A 65 -1.518 6.366 4.490 1.00 42.34 H new ATOM 0 HB ILE A 65 -0.902 7.815 7.108 1.00 60.34 H new ATOM 0 HG12 ILE A 65 -3.559 7.307 5.710 1.00 64.21 H new ATOM 0 HG13 ILE A 65 -3.028 6.553 7.200 1.00 64.21 H new ATOM 0 HG21 ILE A 65 -1.748 9.821 5.937 1.00 62.42 H new ATOM 0 HG22 ILE A 65 -0.312 9.145 5.131 1.00 62.42 H new ATOM 0 HG23 ILE A 65 -1.931 8.867 4.445 1.00 62.42 H new ATOM 0 HD11 ILE A 65 -4.603 8.370 7.650 1.00 41.42 H new ATOM 0 HD12 ILE A 65 -3.000 8.755 8.320 1.00 41.42 H new ATOM 0 HD13 ILE A 65 -3.539 9.521 6.807 1.00 41.42 H new ATOM 1065 N ILE A 66 0.781 7.153 3.833 1.00 31.32 N ATOM 1066 CA ILE A 66 2.144 7.448 3.376 1.00 10.03 C ATOM 1067 C ILE A 66 2.528 8.907 3.661 1.00 31.12 C ATOM 1068 O ILE A 66 1.891 9.834 3.153 1.00 14.31 O ATOM 1069 CB ILE A 66 2.300 7.195 1.852 1.00 22.23 C ATOM 1070 CG1 ILE A 66 1.893 5.758 1.492 1.00 2.15 C ATOM 1071 CG2 ILE A 66 3.735 7.476 1.408 1.00 71.52 C ATOM 1072 CD1 ILE A 66 2.065 5.418 0.023 1.00 41.24 C ATOM 0 H ILE A 66 0.060 7.315 3.130 1.00 31.32 H new ATOM 0 HA ILE A 66 2.804 6.779 3.929 1.00 10.03 H new ATOM 0 HB ILE A 66 1.635 7.877 1.323 1.00 22.23 H new ATOM 0 HG12 ILE A 66 2.486 5.063 2.087 1.00 2.15 H new ATOM 0 HG13 ILE A 66 0.850 5.606 1.770 1.00 2.15 H new ATOM 0 HG21 ILE A 66 3.827 7.294 0.337 1.00 71.52 H new ATOM 0 HG22 ILE A 66 3.985 8.515 1.622 1.00 71.52 H new ATOM 0 HG23 ILE A 66 4.418 6.820 1.948 1.00 71.52 H new ATOM 0 HD11 ILE A 66 1.757 4.387 -0.150 1.00 41.24 H new ATOM 0 HD12 ILE A 66 1.451 6.087 -0.580 1.00 41.24 H new ATOM 0 HD13 ILE A 66 3.112 5.536 -0.258 1.00 41.24 H new ATOM 1084 N GLN A 67 3.568 9.112 4.466 1.00 22.25 N ATOM 1085 CA GLN A 67 4.071 10.462 4.740 1.00 72.20 C ATOM 1086 C GLN A 67 5.181 10.854 3.753 1.00 4.33 C ATOM 1087 O GLN A 67 6.109 10.084 3.495 1.00 60.45 O ATOM 1088 CB GLN A 67 4.578 10.582 6.188 1.00 61.24 C ATOM 1089 CG GLN A 67 3.473 10.454 7.237 1.00 3.52 C ATOM 1090 CD GLN A 67 2.940 9.039 7.369 1.00 53.11 C ATOM 1091 OE1 GLN A 67 3.675 8.067 7.224 1.00 51.42 O ATOM 1092 NE2 GLN A 67 1.653 8.908 7.618 1.00 20.42 N ATOM 0 H GLN A 67 4.079 8.367 4.939 1.00 22.25 H new ATOM 0 HA GLN A 67 3.238 11.152 4.609 1.00 72.20 H new ATOM 0 HB2 GLN A 67 5.328 9.811 6.366 1.00 61.24 H new ATOM 0 HB3 GLN A 67 5.075 11.544 6.311 1.00 61.24 H new ATOM 0 HG2 GLN A 67 3.857 10.783 8.203 1.00 3.52 H new ATOM 0 HG3 GLN A 67 2.653 11.122 6.976 1.00 3.52 H new ATOM 0 HE21 GLN A 67 1.069 9.736 7.733 1.00 20.42 H new ATOM 0 HE22 GLN A 67 1.241 7.978 7.695 1.00 20.42 H new ATOM 1101 N TYR A 68 5.076 12.060 3.200 1.00 35.11 N ATOM 1102 CA TYR A 68 6.051 12.560 2.230 1.00 5.43 C ATOM 1103 C TYR A 68 7.193 13.305 2.943 1.00 24.04 C ATOM 1104 O TYR A 68 7.066 14.485 3.282 1.00 63.30 O ATOM 1105 CB TYR A 68 5.333 13.482 1.231 1.00 4.34 C ATOM 1106 CG TYR A 68 6.109 13.780 -0.040 1.00 23.03 C ATOM 1107 CD1 TYR A 68 6.503 12.749 -0.885 1.00 74.43 C ATOM 1108 CD2 TYR A 68 6.421 15.087 -0.412 1.00 4.54 C ATOM 1109 CE1 TYR A 68 7.181 13.008 -2.060 1.00 54.04 C ATOM 1110 CE2 TYR A 68 7.106 15.352 -1.586 1.00 45.12 C ATOM 1111 CZ TYR A 68 7.483 14.308 -2.406 1.00 22.21 C ATOM 1112 OH TYR A 68 8.152 14.561 -3.585 1.00 3.32 O ATOM 0 H TYR A 68 4.321 12.714 3.408 1.00 35.11 H new ATOM 0 HA TYR A 68 6.493 11.721 1.692 1.00 5.43 H new ATOM 0 HB2 TYR A 68 4.381 13.026 0.959 1.00 4.34 H new ATOM 0 HB3 TYR A 68 5.105 14.424 1.729 1.00 4.34 H new ATOM 0 HD1 TYR A 68 6.275 11.728 -0.618 1.00 74.43 H new ATOM 0 HD2 TYR A 68 6.124 15.906 0.226 1.00 4.54 H new ATOM 0 HE1 TYR A 68 7.474 12.194 -2.706 1.00 54.04 H new ATOM 0 HE2 TYR A 68 7.344 16.370 -1.858 1.00 45.12 H new ATOM 0 HH TYR A 68 8.288 15.527 -3.683 1.00 3.32 H new ATOM 1122 N VAL A 69 8.302 12.606 3.180 1.00 71.03 N ATOM 1123 CA VAL A 69 9.442 13.169 3.922 1.00 52.22 C ATOM 1124 C VAL A 69 10.752 12.988 3.135 1.00 72.31 C ATOM 1125 O VAL A 69 10.970 11.938 2.525 1.00 43.33 O ATOM 1126 CB VAL A 69 9.583 12.508 5.319 1.00 51.12 C ATOM 1127 CG1 VAL A 69 10.635 13.223 6.161 1.00 50.41 C ATOM 1128 CG2 VAL A 69 8.239 12.477 6.049 1.00 32.21 C ATOM 0 H VAL A 69 8.441 11.644 2.870 1.00 71.03 H new ATOM 0 HA VAL A 69 9.249 14.234 4.055 1.00 52.22 H new ATOM 0 HB VAL A 69 9.912 11.480 5.167 1.00 51.12 H new ATOM 0 HG11 VAL A 69 10.713 12.739 7.134 1.00 50.41 H new ATOM 0 HG12 VAL A 69 11.599 13.177 5.655 1.00 50.41 H new ATOM 0 HG13 VAL A 69 10.346 14.265 6.296 1.00 50.41 H new ATOM 0 HG21 VAL A 69 8.366 12.009 7.025 1.00 32.21 H new ATOM 0 HG22 VAL A 69 7.872 13.495 6.180 1.00 32.21 H new ATOM 0 HG23 VAL A 69 7.520 11.905 5.463 1.00 32.21 H new ATOM 1138 N ASP A 70 11.615 14.015 3.149 1.00 62.41 N ATOM 1139 CA ASP A 70 12.842 14.030 2.330 1.00 4.40 C ATOM 1140 C ASP A 70 12.502 13.961 0.832 1.00 71.15 C ATOM 1141 O ASP A 70 13.318 13.531 0.017 1.00 33.53 O ATOM 1142 CB ASP A 70 13.776 12.866 2.708 1.00 15.53 C ATOM 1143 CG ASP A 70 14.359 13.009 4.102 1.00 33.05 C ATOM 1144 OD1 ASP A 70 13.678 12.641 5.077 1.00 75.44 O ATOM 1145 OD2 ASP A 70 15.511 13.479 4.223 1.00 3.33 O ATOM 0 H ASP A 70 11.487 14.850 3.720 1.00 62.41 H new ATOM 0 HA ASP A 70 13.358 14.969 2.531 1.00 4.40 H new ATOM 0 HB2 ASP A 70 13.224 11.928 2.644 1.00 15.53 H new ATOM 0 HB3 ASP A 70 14.588 12.808 1.984 1.00 15.53 H new ATOM 1150 N ASN A 71 11.293 14.417 0.479 1.00 22.40 N ATOM 1151 CA ASN A 71 10.763 14.288 -0.888 1.00 32.23 C ATOM 1152 C ASN A 71 10.589 12.808 -1.280 1.00 31.42 C ATOM 1153 O ASN A 71 10.473 12.467 -2.458 1.00 61.14 O ATOM 1154 CB ASN A 71 11.662 15.017 -1.899 1.00 71.22 C ATOM 1155 CG ASN A 71 11.743 16.508 -1.623 1.00 15.31 C ATOM 1156 OD1 ASN A 71 10.943 17.290 -2.126 1.00 3.52 O ATOM 1157 ND2 ASN A 71 12.704 16.916 -0.821 1.00 10.23 N ATOM 0 H ASN A 71 10.657 14.883 1.127 1.00 22.40 H new ATOM 0 HA ASN A 71 9.780 14.759 -0.908 1.00 32.23 H new ATOM 0 HB2 ASN A 71 12.664 14.588 -1.867 1.00 71.22 H new ATOM 0 HB3 ASN A 71 11.278 14.856 -2.906 1.00 71.22 H new ATOM 0 HD21 ASN A 71 12.799 17.908 -0.602 1.00 10.23 H new ATOM 0 HD22 ASN A 71 13.354 16.240 -0.419 1.00 10.23 H new ATOM 1164 N MET A 72 10.543 11.936 -0.273 1.00 2.04 N ATOM 1165 CA MET A 72 10.380 10.493 -0.482 1.00 32.35 C ATOM 1166 C MET A 72 9.136 9.962 0.248 1.00 73.32 C ATOM 1167 O MET A 72 8.733 10.495 1.285 1.00 74.24 O ATOM 1168 CB MET A 72 11.625 9.749 0.016 1.00 65.33 C ATOM 1169 CG MET A 72 12.917 10.208 -0.645 1.00 33.31 C ATOM 1170 SD MET A 72 14.360 9.312 -0.041 1.00 23.43 S ATOM 1171 CE MET A 72 15.669 10.128 -0.957 1.00 51.33 C ATOM 0 H MET A 72 10.617 12.206 0.708 1.00 2.04 H new ATOM 0 HA MET A 72 10.251 10.320 -1.550 1.00 32.35 H new ATOM 0 HB2 MET A 72 11.711 9.884 1.094 1.00 65.33 H new ATOM 0 HB3 MET A 72 11.495 8.682 -0.162 1.00 65.33 H new ATOM 0 HG2 MET A 72 12.836 10.075 -1.724 1.00 33.31 H new ATOM 0 HG3 MET A 72 13.054 11.274 -0.465 1.00 33.31 H new ATOM 0 HE1 MET A 72 16.629 9.685 -0.693 1.00 51.33 H new ATOM 0 HE2 MET A 72 15.495 10.006 -2.026 1.00 51.33 H new ATOM 0 HE3 MET A 72 15.679 11.190 -0.710 1.00 51.33 H new ATOM 1181 N TYR A 73 8.542 8.905 -0.294 1.00 23.21 N ATOM 1182 CA TYR A 73 7.337 8.300 0.286 1.00 10.43 C ATOM 1183 C TYR A 73 7.704 7.211 1.306 1.00 23.11 C ATOM 1184 O TYR A 73 8.517 6.332 1.015 1.00 42.40 O ATOM 1185 CB TYR A 73 6.478 7.694 -0.835 1.00 13.14 C ATOM 1186 CG TYR A 73 6.205 8.657 -1.976 1.00 14.15 C ATOM 1187 CD1 TYR A 73 5.106 9.508 -1.953 1.00 34.25 C ATOM 1188 CD2 TYR A 73 7.056 8.714 -3.078 1.00 2.44 C ATOM 1189 CE1 TYR A 73 4.862 10.386 -2.993 1.00 64.40 C ATOM 1190 CE2 TYR A 73 6.820 9.588 -4.118 1.00 63.04 C ATOM 1191 CZ TYR A 73 5.722 10.423 -4.072 1.00 4.43 C ATOM 1192 OH TYR A 73 5.484 11.299 -5.110 1.00 21.22 O ATOM 0 H TYR A 73 8.874 8.443 -1.140 1.00 23.21 H new ATOM 0 HA TYR A 73 6.774 9.077 0.804 1.00 10.43 H new ATOM 0 HB2 TYR A 73 6.979 6.810 -1.228 1.00 13.14 H new ATOM 0 HB3 TYR A 73 5.528 7.362 -0.415 1.00 13.14 H new ATOM 0 HD1 TYR A 73 4.432 9.483 -1.109 1.00 34.25 H new ATOM 0 HD2 TYR A 73 7.916 8.062 -3.118 1.00 2.44 H new ATOM 0 HE1 TYR A 73 4.003 11.040 -2.961 1.00 64.40 H new ATOM 0 HE2 TYR A 73 7.491 9.619 -4.964 1.00 63.04 H new ATOM 0 HH TYR A 73 6.183 11.199 -5.789 1.00 21.22 H new ATOM 1202 N ARG A 74 7.099 7.261 2.496 1.00 23.15 N ATOM 1203 CA ARG A 74 7.424 6.301 3.559 1.00 52.35 C ATOM 1204 C ARG A 74 6.222 6.017 4.481 1.00 62.44 C ATOM 1205 O ARG A 74 5.354 6.869 4.672 1.00 41.05 O ATOM 1206 CB ARG A 74 8.605 6.828 4.387 1.00 14.33 C ATOM 1207 CG ARG A 74 8.294 8.106 5.161 1.00 64.25 C ATOM 1208 CD ARG A 74 9.548 8.705 5.794 1.00 15.04 C ATOM 1209 NE ARG A 74 10.463 9.260 4.793 1.00 24.20 N ATOM 1210 CZ ARG A 74 11.730 9.511 5.008 1.00 51.32 C ATOM 1211 NH1 ARG A 74 12.280 9.236 6.145 1.00 3.42 N ATOM 1212 NH2 ARG A 74 12.450 10.052 4.084 1.00 20.02 N ATOM 0 H ARG A 74 6.388 7.948 2.748 1.00 23.15 H new ATOM 0 HA ARG A 74 7.693 5.360 3.080 1.00 52.35 H new ATOM 0 HB2 ARG A 74 8.917 6.056 5.090 1.00 14.33 H new ATOM 0 HB3 ARG A 74 9.449 7.013 3.722 1.00 14.33 H new ATOM 0 HG2 ARG A 74 7.841 8.836 4.490 1.00 64.25 H new ATOM 0 HG3 ARG A 74 7.562 7.891 5.939 1.00 64.25 H new ATOM 0 HD2 ARG A 74 9.260 9.489 6.495 1.00 15.04 H new ATOM 0 HD3 ARG A 74 10.065 7.937 6.370 1.00 15.04 H new ATOM 0 HE ARG A 74 10.088 9.464 3.867 1.00 24.20 H new ATOM 0 HH11 ARG A 74 11.726 8.817 6.892 1.00 3.42 H new ATOM 0 HH12 ARG A 74 13.268 9.438 6.296 1.00 3.42 H new ATOM 0 HH21 ARG A 74 12.032 10.285 3.183 1.00 20.02 H new ATOM 0 HH22 ARG A 74 13.437 10.246 4.254 1.00 20.02 H new ATOM 1226 N PHE A 75 6.183 4.803 5.040 1.00 51.42 N ATOM 1227 CA PHE A 75 5.169 4.429 6.041 1.00 10.34 C ATOM 1228 C PHE A 75 5.753 4.477 7.466 1.00 34.33 C ATOM 1229 O PHE A 75 5.497 5.405 8.235 1.00 30.32 O ATOM 1230 CB PHE A 75 4.636 3.012 5.780 1.00 44.44 C ATOM 1231 CG PHE A 75 3.848 2.845 4.506 1.00 34.42 C ATOM 1232 CD1 PHE A 75 2.476 3.056 4.492 1.00 53.22 C ATOM 1233 CD2 PHE A 75 4.472 2.449 3.331 1.00 52.22 C ATOM 1234 CE1 PHE A 75 1.745 2.871 3.336 1.00 72.24 C ATOM 1235 CE2 PHE A 75 3.742 2.268 2.171 1.00 3.03 C ATOM 1236 CZ PHE A 75 2.378 2.479 2.175 1.00 71.33 C ATOM 0 H PHE A 75 6.843 4.058 4.818 1.00 51.42 H new ATOM 0 HA PHE A 75 4.355 5.149 5.956 1.00 10.34 H new ATOM 0 HB2 PHE A 75 5.480 2.322 5.759 1.00 44.44 H new ATOM 0 HB3 PHE A 75 4.005 2.719 6.619 1.00 44.44 H new ATOM 0 HD1 PHE A 75 1.975 3.369 5.396 1.00 53.22 H new ATOM 0 HD2 PHE A 75 5.539 2.281 3.323 1.00 52.22 H new ATOM 0 HE1 PHE A 75 0.677 3.033 3.341 1.00 72.24 H new ATOM 0 HE2 PHE A 75 4.239 1.962 1.262 1.00 3.03 H new ATOM 0 HZ PHE A 75 1.807 2.337 1.270 1.00 71.33 H new ATOM 1246 N GLU A 76 6.543 3.457 7.805 1.00 32.35 N ATOM 1247 CA GLU A 76 7.151 3.337 9.136 1.00 33.41 C ATOM 1248 C GLU A 76 8.425 4.191 9.249 1.00 63.41 C ATOM 1249 O GLU A 76 8.682 4.825 10.275 1.00 34.41 O ATOM 1250 CB GLU A 76 7.485 1.860 9.405 1.00 30.32 C ATOM 1251 CG GLU A 76 7.993 1.573 10.816 1.00 61.33 C ATOM 1252 CD GLU A 76 6.935 1.813 11.879 1.00 24.14 C ATOM 1253 OE1 GLU A 76 6.039 0.956 12.030 1.00 4.21 O ATOM 1254 OE2 GLU A 76 7.002 2.858 12.569 1.00 72.25 O ATOM 0 H GLU A 76 6.780 2.694 7.171 1.00 32.35 H new ATOM 0 HA GLU A 76 6.440 3.701 9.877 1.00 33.41 H new ATOM 0 HB2 GLU A 76 6.593 1.260 9.225 1.00 30.32 H new ATOM 0 HB3 GLU A 76 8.239 1.534 8.688 1.00 30.32 H new ATOM 0 HG2 GLU A 76 8.331 0.538 10.873 1.00 61.33 H new ATOM 0 HG3 GLU A 76 8.858 2.203 11.022 1.00 61.33 H new ATOM 1261 N GLY A 77 9.214 4.198 8.180 1.00 10.10 N ATOM 1262 CA GLY A 77 10.476 4.932 8.165 1.00 55.31 C ATOM 1263 C GLY A 77 11.255 4.710 6.876 1.00 52.32 C ATOM 1264 O GLY A 77 11.849 5.637 6.325 1.00 22.02 O ATOM 0 H GLY A 77 9.003 3.704 7.313 1.00 10.10 H new ATOM 0 HA2 GLY A 77 10.277 5.997 8.288 1.00 55.31 H new ATOM 0 HA3 GLY A 77 11.085 4.621 9.014 1.00 55.31 H new ATOM 1268 N THR A 78 11.254 3.464 6.399 1.00 13.11 N ATOM 1269 CA THR A 78 11.853 3.120 5.105 1.00 61.25 C ATOM 1270 C THR A 78 11.156 3.881 3.966 1.00 11.34 C ATOM 1271 O THR A 78 9.975 3.653 3.691 1.00 30.11 O ATOM 1272 CB THR A 78 11.755 1.597 4.831 1.00 72.25 C ATOM 1273 OG1 THR A 78 12.222 0.856 5.974 1.00 62.54 O ATOM 1274 CG2 THR A 78 12.566 1.205 3.598 1.00 21.51 C ATOM 0 H THR A 78 10.843 2.671 6.892 1.00 13.11 H new ATOM 0 HA THR A 78 12.904 3.407 5.145 1.00 61.25 H new ATOM 0 HB THR A 78 10.708 1.357 4.645 1.00 72.25 H new ATOM 0 HG1 THR A 78 12.154 -0.104 5.791 1.00 62.54 H new ATOM 0 HG21 THR A 78 12.478 0.131 3.431 1.00 21.51 H new ATOM 0 HG22 THR A 78 12.186 1.740 2.728 1.00 21.51 H new ATOM 0 HG23 THR A 78 13.613 1.463 3.754 1.00 21.51 H new ATOM 1282 N GLY A 79 11.882 4.784 3.311 1.00 33.21 N ATOM 1283 CA GLY A 79 11.271 5.643 2.297 1.00 50.20 C ATOM 1284 C GLY A 79 11.973 5.604 0.943 1.00 12.22 C ATOM 1285 O GLY A 79 13.200 5.524 0.867 1.00 11.32 O ATOM 0 H GLY A 79 12.879 4.940 3.460 1.00 33.21 H new ATOM 0 HA2 GLY A 79 10.231 5.346 2.164 1.00 50.20 H new ATOM 0 HA3 GLY A 79 11.265 6.670 2.662 1.00 50.20 H new ATOM 1289 N PHE A 80 11.184 5.670 -0.130 1.00 2.55 N ATOM 1290 CA PHE A 80 11.713 5.704 -1.501 1.00 31.03 C ATOM 1291 C PHE A 80 11.128 6.892 -2.281 1.00 5.30 C ATOM 1292 O PHE A 80 9.991 7.298 -2.049 1.00 23.41 O ATOM 1293 CB PHE A 80 11.397 4.390 -2.234 1.00 21.30 C ATOM 1294 CG PHE A 80 12.148 3.196 -1.699 1.00 12.33 C ATOM 1295 CD1 PHE A 80 11.710 2.528 -0.564 1.00 10.13 C ATOM 1296 CD2 PHE A 80 13.298 2.742 -2.332 1.00 51.03 C ATOM 1297 CE1 PHE A 80 12.400 1.435 -0.075 1.00 65.41 C ATOM 1298 CE2 PHE A 80 13.990 1.650 -1.846 1.00 31.41 C ATOM 1299 CZ PHE A 80 13.542 0.999 -0.715 1.00 12.22 C ATOM 0 H PHE A 80 10.166 5.701 -0.078 1.00 2.55 H new ATOM 0 HA PHE A 80 12.795 5.824 -1.442 1.00 31.03 H new ATOM 0 HB2 PHE A 80 10.327 4.195 -2.164 1.00 21.30 H new ATOM 0 HB3 PHE A 80 11.631 4.510 -3.292 1.00 21.30 H new ATOM 0 HD1 PHE A 80 10.819 2.867 -0.057 1.00 10.13 H new ATOM 0 HD2 PHE A 80 13.656 3.249 -3.216 1.00 51.03 H new ATOM 0 HE1 PHE A 80 12.046 0.923 0.807 1.00 65.41 H new ATOM 0 HE2 PHE A 80 14.881 1.306 -2.351 1.00 31.41 H new ATOM 0 HZ PHE A 80 14.085 0.148 -0.331 1.00 12.22 H new ATOM 1309 N SER A 81 11.903 7.442 -3.215 1.00 73.53 N ATOM 1310 CA SER A 81 11.461 8.615 -3.994 1.00 65.53 C ATOM 1311 C SER A 81 10.361 8.249 -5.004 1.00 44.14 C ATOM 1312 O SER A 81 9.779 9.123 -5.650 1.00 53.42 O ATOM 1313 CB SER A 81 12.646 9.265 -4.730 1.00 12.31 C ATOM 1314 OG SER A 81 12.246 10.448 -5.416 1.00 33.55 O ATOM 0 H SER A 81 12.834 7.103 -3.455 1.00 73.53 H new ATOM 0 HA SER A 81 11.046 9.330 -3.283 1.00 65.53 H new ATOM 0 HB2 SER A 81 13.433 9.506 -4.015 1.00 12.31 H new ATOM 0 HB3 SER A 81 13.068 8.555 -5.441 1.00 12.31 H new ATOM 0 HG SER A 81 11.291 10.396 -5.629 1.00 33.55 H new ATOM 1320 N ASN A 82 10.090 6.953 -5.146 1.00 24.20 N ATOM 1321 CA ASN A 82 9.023 6.475 -6.032 1.00 50.30 C ATOM 1322 C ASN A 82 8.104 5.481 -5.305 1.00 72.24 C ATOM 1323 O ASN A 82 8.571 4.478 -4.763 1.00 24.15 O ATOM 1324 CB ASN A 82 9.624 5.809 -7.277 1.00 35.35 C ATOM 1325 CG ASN A 82 10.506 6.752 -8.075 1.00 71.45 C ATOM 1326 OD1 ASN A 82 10.033 7.472 -8.945 1.00 33.33 O ATOM 1327 ND2 ASN A 82 11.796 6.754 -7.795 1.00 55.44 N ATOM 0 H ASN A 82 10.594 6.212 -4.659 1.00 24.20 H new ATOM 0 HA ASN A 82 8.428 7.337 -6.335 1.00 50.30 H new ATOM 0 HB2 ASN A 82 10.208 4.940 -6.974 1.00 35.35 H new ATOM 0 HB3 ASN A 82 8.818 5.444 -7.914 1.00 35.35 H new ATOM 0 HD21 ASN A 82 12.429 7.367 -8.309 1.00 55.44 H new ATOM 0 HD22 ASN A 82 12.160 6.143 -7.064 1.00 55.44 H new ATOM 1334 N ILE A 83 6.796 5.761 -5.303 1.00 72.45 N ATOM 1335 CA ILE A 83 5.807 4.857 -4.695 1.00 34.10 C ATOM 1336 C ILE A 83 5.915 3.420 -5.256 1.00 22.43 C ATOM 1337 O ILE A 83 5.930 2.457 -4.484 1.00 40.23 O ATOM 1338 CB ILE A 83 4.357 5.383 -4.881 1.00 11.03 C ATOM 1339 CG1 ILE A 83 4.196 6.754 -4.199 1.00 61.42 C ATOM 1340 CG2 ILE A 83 3.332 4.381 -4.341 1.00 53.23 C ATOM 1341 CD1 ILE A 83 2.806 7.343 -4.314 1.00 4.33 C ATOM 0 H ILE A 83 6.396 6.604 -5.714 1.00 72.45 H new ATOM 0 HA ILE A 83 6.035 4.829 -3.629 1.00 34.10 H new ATOM 0 HB ILE A 83 4.171 5.502 -5.948 1.00 11.03 H new ATOM 0 HG12 ILE A 83 4.451 6.655 -3.144 1.00 61.42 H new ATOM 0 HG13 ILE A 83 4.911 7.451 -4.635 1.00 61.42 H new ATOM 0 HG21 ILE A 83 2.326 4.776 -4.485 1.00 53.23 H new ATOM 0 HG22 ILE A 83 3.430 3.436 -4.875 1.00 53.23 H new ATOM 0 HG23 ILE A 83 3.509 4.217 -3.278 1.00 53.23 H new ATOM 0 HD11 ILE A 83 2.777 8.308 -3.808 1.00 4.33 H new ATOM 0 HD12 ILE A 83 2.554 7.477 -5.366 1.00 4.33 H new ATOM 0 HD13 ILE A 83 2.086 6.669 -3.851 1.00 4.33 H new ATOM 1353 N PRO A 84 6.000 3.241 -6.602 1.00 32.13 N ATOM 1354 CA PRO A 84 6.208 1.912 -7.204 1.00 22.15 C ATOM 1355 C PRO A 84 7.405 1.166 -6.592 1.00 65.21 C ATOM 1356 O PRO A 84 7.333 -0.030 -6.344 1.00 13.52 O ATOM 1357 CB PRO A 84 6.453 2.211 -8.698 1.00 43.02 C ATOM 1358 CG PRO A 84 6.652 3.691 -8.784 1.00 4.34 C ATOM 1359 CD PRO A 84 5.873 4.280 -7.645 1.00 32.04 C ATOM 0 HA PRO A 84 5.354 1.257 -7.031 1.00 22.15 H new ATOM 0 HB2 PRO A 84 7.328 1.676 -9.067 1.00 43.02 H new ATOM 0 HB3 PRO A 84 5.606 1.893 -9.306 1.00 43.02 H new ATOM 0 HG2 PRO A 84 7.709 3.948 -8.708 1.00 4.34 H new ATOM 0 HG3 PRO A 84 6.298 4.077 -9.740 1.00 4.34 H new ATOM 0 HD2 PRO A 84 6.287 5.234 -7.320 1.00 32.04 H new ATOM 0 HD3 PRO A 84 4.832 4.460 -7.915 1.00 32.04 H new ATOM 1367 N GLN A 85 8.499 1.888 -6.339 1.00 42.15 N ATOM 1368 CA GLN A 85 9.709 1.293 -5.750 1.00 13.12 C ATOM 1369 C GLN A 85 9.534 0.990 -4.252 1.00 70.23 C ATOM 1370 O GLN A 85 10.060 -0.001 -3.747 1.00 53.15 O ATOM 1371 CB GLN A 85 10.920 2.212 -5.979 1.00 24.42 C ATOM 1372 CG GLN A 85 11.438 2.182 -7.415 1.00 20.02 C ATOM 1373 CD GLN A 85 11.821 0.777 -7.866 1.00 72.12 C ATOM 1374 OE1 GLN A 85 12.955 0.339 -7.692 1.00 25.11 O ATOM 1375 NE2 GLN A 85 10.877 0.056 -8.442 1.00 5.41 N ATOM 0 H GLN A 85 8.575 2.887 -6.532 1.00 42.15 H new ATOM 0 HA GLN A 85 9.884 0.341 -6.252 1.00 13.12 H new ATOM 0 HB2 GLN A 85 10.645 3.235 -5.721 1.00 24.42 H new ATOM 0 HB3 GLN A 85 11.724 1.918 -5.304 1.00 24.42 H new ATOM 0 HG2 GLN A 85 10.673 2.579 -8.083 1.00 20.02 H new ATOM 0 HG3 GLN A 85 12.305 2.837 -7.499 1.00 20.02 H new ATOM 0 HE21 GLN A 85 9.944 0.448 -8.573 1.00 5.41 H new ATOM 0 HE22 GLN A 85 11.080 -0.893 -8.756 1.00 5.41 H new ATOM 1384 N LEU A 86 8.804 1.847 -3.546 1.00 12.14 N ATOM 1385 CA LEU A 86 8.482 1.609 -2.135 1.00 52.41 C ATOM 1386 C LEU A 86 7.760 0.259 -1.959 1.00 24.24 C ATOM 1387 O LEU A 86 8.177 -0.594 -1.159 1.00 21.34 O ATOM 1388 CB LEU A 86 7.611 2.760 -1.601 1.00 71.21 C ATOM 1389 CG LEU A 86 7.185 2.653 -0.125 1.00 11.41 C ATOM 1390 CD1 LEU A 86 8.400 2.659 0.799 1.00 21.21 C ATOM 1391 CD2 LEU A 86 6.223 3.784 0.234 1.00 35.32 C ATOM 0 H LEU A 86 8.422 2.714 -3.924 1.00 12.14 H new ATOM 0 HA LEU A 86 9.410 1.570 -1.565 1.00 52.41 H new ATOM 0 HB2 LEU A 86 8.156 3.694 -1.735 1.00 71.21 H new ATOM 0 HB3 LEU A 86 6.712 2.825 -2.215 1.00 71.21 H new ATOM 0 HG LEU A 86 6.668 1.703 0.013 1.00 11.41 H new ATOM 0 HD11 LEU A 86 8.070 2.582 1.835 1.00 21.21 H new ATOM 0 HD12 LEU A 86 9.043 1.812 0.560 1.00 21.21 H new ATOM 0 HD13 LEU A 86 8.956 3.587 0.663 1.00 21.21 H new ATOM 0 HD21 LEU A 86 5.931 3.695 1.280 1.00 35.32 H new ATOM 0 HD22 LEU A 86 6.714 4.744 0.075 1.00 35.32 H new ATOM 0 HD23 LEU A 86 5.336 3.721 -0.397 1.00 35.32 H new ATOM 1403 N ILE A 87 6.688 0.066 -2.726 1.00 31.01 N ATOM 1404 CA ILE A 87 5.924 -1.183 -2.696 1.00 65.22 C ATOM 1405 C ILE A 87 6.731 -2.351 -3.288 1.00 35.13 C ATOM 1406 O ILE A 87 6.803 -3.422 -2.688 1.00 43.34 O ATOM 1407 CB ILE A 87 4.580 -1.035 -3.457 1.00 24.24 C ATOM 1408 CG1 ILE A 87 3.726 0.075 -2.820 1.00 70.22 C ATOM 1409 CG2 ILE A 87 3.811 -2.358 -3.490 1.00 63.42 C ATOM 1410 CD1 ILE A 87 3.399 -0.153 -1.356 1.00 34.22 C ATOM 0 H ILE A 87 6.327 0.761 -3.379 1.00 31.01 H new ATOM 0 HA ILE A 87 5.714 -1.404 -1.650 1.00 65.22 H new ATOM 0 HB ILE A 87 4.803 -0.757 -4.487 1.00 24.24 H new ATOM 0 HG12 ILE A 87 4.252 1.024 -2.919 1.00 70.22 H new ATOM 0 HG13 ILE A 87 2.794 0.167 -3.379 1.00 70.22 H new ATOM 0 HG21 ILE A 87 2.874 -2.221 -4.030 1.00 63.42 H new ATOM 0 HG22 ILE A 87 4.412 -3.116 -3.993 1.00 63.42 H new ATOM 0 HG23 ILE A 87 3.598 -2.681 -2.471 1.00 63.42 H new ATOM 0 HD11 ILE A 87 2.795 0.675 -0.985 1.00 34.22 H new ATOM 0 HD12 ILE A 87 2.843 -1.085 -1.248 1.00 34.22 H new ATOM 0 HD13 ILE A 87 4.324 -0.213 -0.782 1.00 34.22 H new ATOM 1422 N ASP A 88 7.344 -2.133 -4.454 1.00 34.41 N ATOM 1423 CA ASP A 88 8.178 -3.154 -5.110 1.00 34.41 C ATOM 1424 C ASP A 88 9.246 -3.713 -4.157 1.00 11.31 C ATOM 1425 O ASP A 88 9.383 -4.927 -3.999 1.00 64.24 O ATOM 1426 CB ASP A 88 8.843 -2.558 -6.360 1.00 51.42 C ATOM 1427 CG ASP A 88 9.877 -3.481 -6.987 1.00 62.23 C ATOM 1428 OD1 ASP A 88 9.488 -4.407 -7.732 1.00 65.24 O ATOM 1429 OD2 ASP A 88 11.085 -3.278 -6.743 1.00 4.12 O ATOM 0 H ASP A 88 7.280 -1.255 -4.969 1.00 34.41 H new ATOM 0 HA ASP A 88 7.531 -3.981 -5.401 1.00 34.41 H new ATOM 0 HB2 ASP A 88 8.074 -2.329 -7.098 1.00 51.42 H new ATOM 0 HB3 ASP A 88 9.321 -1.615 -6.095 1.00 51.42 H new ATOM 1434 N HIS A 89 9.999 -2.823 -3.520 1.00 44.45 N ATOM 1435 CA HIS A 89 11.067 -3.235 -2.610 1.00 5.04 C ATOM 1436 C HIS A 89 10.518 -4.078 -1.445 1.00 13.21 C ATOM 1437 O HIS A 89 11.098 -5.104 -1.091 1.00 23.42 O ATOM 1438 CB HIS A 89 11.818 -2.016 -2.069 1.00 62.34 C ATOM 1439 CG HIS A 89 13.097 -2.372 -1.366 1.00 22.42 C ATOM 1440 ND1 HIS A 89 13.153 -2.755 -0.039 1.00 11.22 N ATOM 1441 CD2 HIS A 89 14.375 -2.409 -1.815 1.00 53.32 C ATOM 1442 CE1 HIS A 89 14.404 -3.013 0.291 1.00 44.51 C ATOM 1443 NE2 HIS A 89 15.160 -2.811 -0.764 1.00 23.24 N ATOM 0 H HIS A 89 9.892 -1.813 -3.615 1.00 44.45 H new ATOM 0 HA HIS A 89 11.762 -3.853 -3.179 1.00 5.04 H new ATOM 0 HB2 HIS A 89 12.041 -1.339 -2.894 1.00 62.34 H new ATOM 0 HB3 HIS A 89 11.170 -1.475 -1.379 1.00 62.34 H new ATOM 0 HD2 HIS A 89 14.712 -2.168 -2.812 1.00 53.32 H new ATOM 0 HE1 HIS A 89 14.748 -3.335 1.263 1.00 44.51 H new ATOM 0 HE2 HIS A 89 16.172 -2.934 -0.797 1.00 23.24 H new ATOM 1452 N HIS A 90 9.400 -3.649 -0.856 1.00 14.45 N ATOM 1453 CA HIS A 90 8.772 -4.411 0.237 1.00 41.13 C ATOM 1454 C HIS A 90 8.220 -5.762 -0.249 1.00 22.12 C ATOM 1455 O HIS A 90 8.444 -6.791 0.387 1.00 24.35 O ATOM 1456 CB HIS A 90 7.661 -3.594 0.909 1.00 12.11 C ATOM 1457 CG HIS A 90 8.170 -2.578 1.888 1.00 24.12 C ATOM 1458 ND1 HIS A 90 8.398 -1.257 1.561 1.00 52.11 N ATOM 1459 CD2 HIS A 90 8.490 -2.694 3.200 1.00 51.22 C ATOM 1460 CE1 HIS A 90 8.835 -0.611 2.624 1.00 61.33 C ATOM 1461 NE2 HIS A 90 8.900 -1.457 3.630 1.00 10.11 N ATOM 0 H HIS A 90 8.912 -2.790 -1.110 1.00 14.45 H new ATOM 0 HA HIS A 90 9.551 -4.614 0.972 1.00 41.13 H new ATOM 0 HB2 HIS A 90 7.080 -3.085 0.140 1.00 12.11 H new ATOM 0 HB3 HIS A 90 6.982 -4.274 1.424 1.00 12.11 H new ATOM 0 HD1 HIS A 90 8.251 -0.844 0.640 1.00 52.11 H new ATOM 0 HD2 HIS A 90 8.433 -3.593 3.796 1.00 51.22 H new ATOM 0 HE1 HIS A 90 9.096 0.436 2.663 1.00 61.33 H new ATOM 1470 N TYR A 91 7.518 -5.752 -1.378 1.00 14.41 N ATOM 1471 CA TYR A 91 6.909 -6.970 -1.930 1.00 43.22 C ATOM 1472 C TYR A 91 7.974 -8.020 -2.298 1.00 73.42 C ATOM 1473 O TYR A 91 7.846 -9.195 -1.952 1.00 73.14 O ATOM 1474 CB TYR A 91 6.056 -6.622 -3.160 1.00 42.44 C ATOM 1475 CG TYR A 91 5.303 -7.808 -3.736 1.00 21.12 C ATOM 1476 CD1 TYR A 91 4.119 -8.251 -3.155 1.00 53.31 C ATOM 1477 CD2 TYR A 91 5.775 -8.491 -4.855 1.00 34.02 C ATOM 1478 CE1 TYR A 91 3.432 -9.334 -3.667 1.00 15.13 C ATOM 1479 CE2 TYR A 91 5.092 -9.573 -5.374 1.00 75.22 C ATOM 1480 CZ TYR A 91 3.922 -9.991 -4.775 1.00 31.13 C ATOM 1481 OH TYR A 91 3.245 -11.078 -5.285 1.00 20.05 O ATOM 0 H TYR A 91 7.353 -4.913 -1.935 1.00 14.41 H new ATOM 0 HA TYR A 91 6.270 -7.403 -1.160 1.00 43.22 H new ATOM 0 HB2 TYR A 91 5.340 -5.846 -2.887 1.00 42.44 H new ATOM 0 HB3 TYR A 91 6.701 -6.203 -3.932 1.00 42.44 H new ATOM 0 HD1 TYR A 91 3.730 -7.738 -2.288 1.00 53.31 H new ATOM 0 HD2 TYR A 91 6.692 -8.168 -5.325 1.00 34.02 H new ATOM 0 HE1 TYR A 91 2.515 -9.665 -3.201 1.00 15.13 H new ATOM 0 HE2 TYR A 91 5.472 -10.089 -6.244 1.00 75.22 H new ATOM 0 HH TYR A 91 3.724 -11.424 -6.067 1.00 20.05 H new ATOM 1491 N THR A 92 9.025 -7.589 -2.994 1.00 4.35 N ATOM 1492 CA THR A 92 10.125 -8.488 -3.382 1.00 41.21 C ATOM 1493 C THR A 92 10.823 -9.088 -2.154 1.00 31.54 C ATOM 1494 O THR A 92 10.954 -10.307 -2.038 1.00 23.43 O ATOM 1495 CB THR A 92 11.185 -7.763 -4.246 1.00 22.35 C ATOM 1496 OG1 THR A 92 11.685 -6.606 -3.553 1.00 12.45 O ATOM 1497 CG2 THR A 92 10.606 -7.342 -5.593 1.00 32.52 C ATOM 0 H THR A 92 9.143 -6.624 -3.303 1.00 4.35 H new ATOM 0 HA THR A 92 9.669 -9.286 -3.968 1.00 41.21 H new ATOM 0 HB THR A 92 12.003 -8.461 -4.425 1.00 22.35 H new ATOM 0 HG1 THR A 92 11.026 -5.883 -3.606 1.00 12.45 H new ATOM 0 HG21 THR A 92 11.374 -6.835 -6.177 1.00 32.52 H new ATOM 0 HG22 THR A 92 10.262 -8.224 -6.133 1.00 32.52 H new ATOM 0 HG23 THR A 92 9.767 -6.665 -5.433 1.00 32.52 H new ATOM 1505 N THR A 93 11.273 -8.225 -1.244 1.00 73.41 N ATOM 1506 CA THR A 93 11.905 -8.673 0.012 1.00 33.33 C ATOM 1507 C THR A 93 10.901 -9.365 0.945 1.00 52.42 C ATOM 1508 O THR A 93 11.296 -10.049 1.891 1.00 14.11 O ATOM 1509 CB THR A 93 12.547 -7.495 0.789 1.00 65.52 C ATOM 1510 OG1 THR A 93 11.541 -6.534 1.158 1.00 41.34 O ATOM 1511 CG2 THR A 93 13.624 -6.806 -0.043 1.00 0.51 C ATOM 0 H THR A 93 11.215 -7.212 -1.346 1.00 73.41 H new ATOM 0 HA THR A 93 12.678 -9.382 -0.286 1.00 33.33 H new ATOM 0 HB THR A 93 13.010 -7.904 1.687 1.00 65.52 H new ATOM 0 HG1 THR A 93 11.327 -5.972 0.385 1.00 41.34 H new ATOM 0 HG21 THR A 93 14.055 -5.984 0.529 1.00 0.51 H new ATOM 0 HG22 THR A 93 14.405 -7.524 -0.293 1.00 0.51 H new ATOM 0 HG23 THR A 93 13.182 -6.417 -0.960 1.00 0.51 H new ATOM 1519 N LYS A 94 9.607 -9.172 0.676 1.00 61.41 N ATOM 1520 CA LYS A 94 8.528 -9.718 1.513 1.00 43.12 C ATOM 1521 C LYS A 94 8.591 -9.128 2.936 1.00 74.34 C ATOM 1522 O LYS A 94 8.137 -9.738 3.909 1.00 1.04 O ATOM 1523 CB LYS A 94 8.605 -11.257 1.549 1.00 12.23 C ATOM 1524 CG LYS A 94 7.251 -11.945 1.701 1.00 70.34 C ATOM 1525 CD LYS A 94 6.327 -11.622 0.523 1.00 21.44 C ATOM 1526 CE LYS A 94 5.009 -12.384 0.587 1.00 63.30 C ATOM 1527 NZ LYS A 94 4.129 -12.056 -0.567 1.00 22.11 N ATOM 0 H LYS A 94 9.275 -8.635 -0.125 1.00 61.41 H new ATOM 0 HA LYS A 94 7.571 -9.434 1.075 1.00 43.12 H new ATOM 0 HB2 LYS A 94 9.078 -11.608 0.632 1.00 12.23 H new ATOM 0 HB3 LYS A 94 9.249 -11.559 2.375 1.00 12.23 H new ATOM 0 HG2 LYS A 94 7.394 -13.023 1.768 1.00 70.34 H new ATOM 0 HG3 LYS A 94 6.782 -11.627 2.632 1.00 70.34 H new ATOM 0 HD2 LYS A 94 6.123 -10.551 0.509 1.00 21.44 H new ATOM 0 HD3 LYS A 94 6.836 -11.862 -0.410 1.00 21.44 H new ATOM 0 HE2 LYS A 94 5.208 -13.456 0.600 1.00 63.30 H new ATOM 0 HE3 LYS A 94 4.494 -12.144 1.517 1.00 63.30 H new ATOM 0 HZ1 LYS A 94 3.452 -12.831 -0.718 1.00 22.11 H new ATOM 0 HZ2 LYS A 94 3.611 -11.176 -0.369 1.00 22.11 H new ATOM 0 HZ3 LYS A 94 4.709 -11.931 -1.421 1.00 22.11 H new ATOM 1541 N GLN A 95 9.149 -7.921 3.037 1.00 33.43 N ATOM 1542 CA GLN A 95 9.300 -7.222 4.318 1.00 13.21 C ATOM 1543 C GLN A 95 8.027 -6.415 4.643 1.00 2.41 C ATOM 1544 O GLN A 95 7.373 -5.880 3.742 1.00 21.42 O ATOM 1545 CB GLN A 95 10.536 -6.304 4.247 1.00 71.13 C ATOM 1546 CG GLN A 95 11.285 -6.110 5.566 1.00 12.14 C ATOM 1547 CD GLN A 95 10.547 -5.250 6.580 1.00 4.54 C ATOM 1548 OE1 GLN A 95 9.805 -5.755 7.417 1.00 42.44 O ATOM 1549 NE2 GLN A 95 10.746 -3.950 6.514 1.00 42.35 N ATOM 0 H GLN A 95 9.509 -7.400 2.237 1.00 33.43 H new ATOM 0 HA GLN A 95 9.443 -7.948 5.118 1.00 13.21 H new ATOM 0 HB2 GLN A 95 11.229 -6.712 3.512 1.00 71.13 H new ATOM 0 HB3 GLN A 95 10.221 -5.327 3.880 1.00 71.13 H new ATOM 0 HG2 GLN A 95 11.479 -7.087 6.008 1.00 12.14 H new ATOM 0 HG3 GLN A 95 12.254 -5.656 5.358 1.00 12.14 H new ATOM 0 HE21 GLN A 95 11.370 -3.565 5.805 1.00 42.35 H new ATOM 0 HE22 GLN A 95 10.276 -3.328 7.172 1.00 42.35 H new ATOM 1558 N VAL A 96 7.686 -6.324 5.926 1.00 71.25 N ATOM 1559 CA VAL A 96 6.426 -5.701 6.351 1.00 13.45 C ATOM 1560 C VAL A 96 6.396 -4.179 6.097 1.00 2.32 C ATOM 1561 O VAL A 96 7.434 -3.525 5.973 1.00 3.04 O ATOM 1562 CB VAL A 96 6.134 -5.967 7.852 1.00 74.41 C ATOM 1563 CG1 VAL A 96 6.280 -7.451 8.181 1.00 34.25 C ATOM 1564 CG2 VAL A 96 7.026 -5.116 8.753 1.00 40.21 C ATOM 0 H VAL A 96 8.262 -6.672 6.693 1.00 71.25 H new ATOM 0 HA VAL A 96 5.652 -6.166 5.740 1.00 13.45 H new ATOM 0 HB VAL A 96 5.101 -5.678 8.044 1.00 74.41 H new ATOM 0 HG11 VAL A 96 6.070 -7.612 9.239 1.00 34.25 H new ATOM 0 HG12 VAL A 96 5.577 -8.028 7.580 1.00 34.25 H new ATOM 0 HG13 VAL A 96 7.297 -7.774 7.960 1.00 34.25 H new ATOM 0 HG21 VAL A 96 6.795 -5.327 9.797 1.00 40.21 H new ATOM 0 HG22 VAL A 96 8.072 -5.352 8.557 1.00 40.21 H new ATOM 0 HG23 VAL A 96 6.848 -4.060 8.548 1.00 40.21 H new ATOM 1574 N ILE A 97 5.184 -3.627 6.025 1.00 53.35 N ATOM 1575 CA ILE A 97 4.984 -2.184 5.848 1.00 2.12 C ATOM 1576 C ILE A 97 5.321 -1.401 7.130 1.00 23.40 C ATOM 1577 O ILE A 97 6.267 -0.608 7.162 1.00 21.52 O ATOM 1578 CB ILE A 97 3.524 -1.886 5.414 1.00 1.21 C ATOM 1579 CG1 ILE A 97 3.259 -2.456 4.012 1.00 22.44 C ATOM 1580 CG2 ILE A 97 3.224 -0.389 5.450 1.00 34.41 C ATOM 1581 CD1 ILE A 97 4.140 -1.860 2.929 1.00 15.54 C ATOM 0 H ILE A 97 4.317 -4.161 6.087 1.00 53.35 H new ATOM 0 HA ILE A 97 5.666 -1.855 5.064 1.00 2.12 H new ATOM 0 HB ILE A 97 2.857 -2.373 6.125 1.00 1.21 H new ATOM 0 HG12 ILE A 97 3.409 -3.535 4.035 1.00 22.44 H new ATOM 0 HG13 ILE A 97 2.214 -2.284 3.752 1.00 22.44 H new ATOM 0 HG21 ILE A 97 2.193 -0.217 5.140 1.00 34.41 H new ATOM 0 HG22 ILE A 97 3.366 -0.014 6.464 1.00 34.41 H new ATOM 0 HG23 ILE A 97 3.899 0.134 4.772 1.00 34.41 H new ATOM 0 HD11 ILE A 97 3.893 -2.313 1.969 1.00 15.54 H new ATOM 0 HD12 ILE A 97 3.974 -0.784 2.876 1.00 15.54 H new ATOM 0 HD13 ILE A 97 5.187 -2.054 3.163 1.00 15.54 H new ATOM 1593 N THR A 98 4.540 -1.623 8.183 1.00 61.40 N ATOM 1594 CA THR A 98 4.769 -0.976 9.482 1.00 42.15 C ATOM 1595 C THR A 98 5.123 -2.010 10.557 1.00 60.30 C ATOM 1596 O THR A 98 4.439 -3.022 10.705 1.00 43.33 O ATOM 1597 CB THR A 98 3.524 -0.178 9.945 1.00 71.02 C ATOM 1598 OG1 THR A 98 2.349 -0.999 9.849 1.00 34.23 O ATOM 1599 CG2 THR A 98 3.342 1.085 9.107 1.00 14.14 C ATOM 0 H THR A 98 3.736 -2.250 8.167 1.00 61.40 H new ATOM 0 HA THR A 98 5.604 -0.288 9.349 1.00 42.15 H new ATOM 0 HB THR A 98 3.676 0.116 10.983 1.00 71.02 H new ATOM 0 HG1 THR A 98 1.581 -0.443 9.603 1.00 34.23 H new ATOM 0 HG21 THR A 98 2.461 1.627 9.452 1.00 14.14 H new ATOM 0 HG22 THR A 98 4.222 1.720 9.210 1.00 14.14 H new ATOM 0 HG23 THR A 98 3.212 0.811 8.060 1.00 14.14 H new ATOM 1607 N LYS A 99 6.187 -1.746 11.312 1.00 3.15 N ATOM 1608 CA LYS A 99 6.634 -2.662 12.367 1.00 21.40 C ATOM 1609 C LYS A 99 5.677 -2.639 13.570 1.00 45.21 C ATOM 1610 O LYS A 99 5.634 -3.580 14.365 1.00 31.54 O ATOM 1611 CB LYS A 99 8.060 -2.302 12.807 1.00 51.31 C ATOM 1612 CG LYS A 99 9.112 -2.551 11.726 1.00 41.04 C ATOM 1613 CD LYS A 99 9.278 -4.043 11.429 1.00 23.21 C ATOM 1614 CE LYS A 99 10.261 -4.298 10.290 1.00 55.44 C ATOM 1615 NZ LYS A 99 10.498 -5.750 10.070 1.00 44.15 N ATOM 0 H LYS A 99 6.758 -0.906 11.215 1.00 3.15 H new ATOM 0 HA LYS A 99 6.632 -3.674 11.962 1.00 21.40 H new ATOM 0 HB2 LYS A 99 8.088 -1.251 13.096 1.00 51.31 H new ATOM 0 HB3 LYS A 99 8.316 -2.883 13.693 1.00 51.31 H new ATOM 0 HG2 LYS A 99 8.826 -2.028 10.813 1.00 41.04 H new ATOM 0 HG3 LYS A 99 10.068 -2.135 12.046 1.00 41.04 H new ATOM 0 HD2 LYS A 99 9.625 -4.554 12.327 1.00 23.21 H new ATOM 0 HD3 LYS A 99 8.309 -4.471 11.173 1.00 23.21 H new ATOM 0 HE2 LYS A 99 9.877 -3.851 9.373 1.00 55.44 H new ATOM 0 HE3 LYS A 99 11.208 -3.806 10.512 1.00 55.44 H new ATOM 0 HZ1 LYS A 99 11.494 -5.974 10.271 1.00 44.15 H new ATOM 0 HZ2 LYS A 99 9.885 -6.302 10.703 1.00 44.15 H new ATOM 0 HZ3 LYS A 99 10.282 -5.991 9.082 1.00 44.15 H new ATOM 1629 N LYS A 100 4.916 -1.555 13.697 1.00 13.03 N ATOM 1630 CA LYS A 100 3.864 -1.447 14.723 1.00 12.52 C ATOM 1631 C LYS A 100 2.674 -2.381 14.418 1.00 53.33 C ATOM 1632 O LYS A 100 1.827 -2.628 15.280 1.00 4.31 O ATOM 1633 CB LYS A 100 3.364 0.007 14.825 1.00 63.31 C ATOM 1634 CG LYS A 100 4.254 0.941 15.649 1.00 60.34 C ATOM 1635 CD LYS A 100 5.725 0.867 15.247 1.00 41.23 C ATOM 1636 CE LYS A 100 6.511 2.067 15.757 1.00 12.12 C ATOM 1637 NZ LYS A 100 6.052 3.327 15.120 1.00 15.25 N ATOM 0 H LYS A 100 5.004 -0.731 13.102 1.00 13.03 H new ATOM 0 HA LYS A 100 4.302 -1.751 15.674 1.00 12.52 H new ATOM 0 HB2 LYS A 100 3.269 0.414 13.818 1.00 63.31 H new ATOM 0 HB3 LYS A 100 2.365 0.002 15.262 1.00 63.31 H new ATOM 0 HG2 LYS A 100 3.902 1.966 15.533 1.00 60.34 H new ATOM 0 HG3 LYS A 100 4.158 0.688 16.705 1.00 60.34 H new ATOM 0 HD2 LYS A 100 6.164 -0.049 15.641 1.00 41.23 H new ATOM 0 HD3 LYS A 100 5.803 0.816 14.161 1.00 41.23 H new ATOM 0 HE2 LYS A 100 6.400 2.143 16.839 1.00 12.12 H new ATOM 0 HE3 LYS A 100 7.572 1.921 15.555 1.00 12.12 H new ATOM 0 HZ1 LYS A 100 6.720 4.092 15.342 1.00 15.25 H new ATOM 0 HZ2 LYS A 100 6.004 3.198 14.089 1.00 15.25 H new ATOM 0 HZ3 LYS A 100 5.109 3.575 15.482 1.00 15.25 H new ATOM 1651 N SER A 101 2.613 -2.887 13.185 1.00 33.20 N ATOM 1652 CA SER A 101 1.504 -3.753 12.748 1.00 75.44 C ATOM 1653 C SER A 101 1.995 -5.164 12.387 1.00 23.30 C ATOM 1654 O SER A 101 1.505 -6.162 12.920 1.00 22.23 O ATOM 1655 CB SER A 101 0.795 -3.132 11.535 1.00 73.22 C ATOM 1656 OG SER A 101 0.410 -1.790 11.795 1.00 33.51 O ATOM 0 H SER A 101 3.317 -2.715 12.467 1.00 33.20 H new ATOM 0 HA SER A 101 0.806 -3.838 13.581 1.00 75.44 H new ATOM 0 HB2 SER A 101 1.457 -3.162 10.669 1.00 73.22 H new ATOM 0 HB3 SER A 101 -0.086 -3.723 11.283 1.00 73.22 H new ATOM 0 HG SER A 101 0.949 -1.183 11.246 1.00 33.51 H new ATOM 1662 N GLY A 102 2.956 -5.238 11.467 1.00 23.00 N ATOM 1663 CA GLY A 102 3.488 -6.528 11.024 1.00 13.15 C ATOM 1664 C GLY A 102 2.781 -7.078 9.785 1.00 21.23 C ATOM 1665 O GLY A 102 2.692 -8.291 9.599 1.00 21.52 O ATOM 0 H GLY A 102 3.380 -4.427 11.016 1.00 23.00 H new ATOM 0 HA2 GLY A 102 4.551 -6.421 10.810 1.00 13.15 H new ATOM 0 HA3 GLY A 102 3.397 -7.249 11.836 1.00 13.15 H new ATOM 1669 N VAL A 103 2.286 -6.184 8.930 1.00 60.44 N ATOM 1670 CA VAL A 103 1.566 -6.594 7.716 1.00 21.31 C ATOM 1671 C VAL A 103 2.510 -6.770 6.513 1.00 25.45 C ATOM 1672 O VAL A 103 3.250 -5.853 6.149 1.00 10.02 O ATOM 1673 CB VAL A 103 0.467 -5.572 7.339 1.00 72.43 C ATOM 1674 CG1 VAL A 103 -0.306 -6.042 6.110 1.00 73.10 C ATOM 1675 CG2 VAL A 103 -0.480 -5.332 8.512 1.00 62.31 C ATOM 0 H VAL A 103 2.368 -5.174 9.051 1.00 60.44 H new ATOM 0 HA VAL A 103 1.108 -7.556 7.948 1.00 21.31 H new ATOM 0 HB VAL A 103 0.953 -4.626 7.098 1.00 72.43 H new ATOM 0 HG11 VAL A 103 -1.074 -5.310 5.861 1.00 73.10 H new ATOM 0 HG12 VAL A 103 0.379 -6.150 5.269 1.00 73.10 H new ATOM 0 HG13 VAL A 103 -0.776 -7.003 6.321 1.00 73.10 H new ATOM 0 HG21 VAL A 103 -1.243 -4.610 8.222 1.00 62.31 H new ATOM 0 HG22 VAL A 103 -0.957 -6.271 8.793 1.00 62.31 H new ATOM 0 HG23 VAL A 103 0.083 -4.943 9.361 1.00 62.31 H new ATOM 1685 N VAL A 104 2.460 -7.950 5.896 1.00 33.43 N ATOM 1686 CA VAL A 104 3.289 -8.268 4.725 1.00 40.14 C ATOM 1687 C VAL A 104 2.498 -8.090 3.413 1.00 63.54 C ATOM 1688 O VAL A 104 1.282 -8.278 3.379 1.00 42.03 O ATOM 1689 CB VAL A 104 3.823 -9.723 4.804 1.00 21.02 C ATOM 1690 CG1 VAL A 104 4.796 -10.018 3.663 1.00 10.23 C ATOM 1691 CG2 VAL A 104 4.477 -9.986 6.159 1.00 71.42 C ATOM 0 H VAL A 104 1.848 -8.712 6.189 1.00 33.43 H new ATOM 0 HA VAL A 104 4.129 -7.574 4.728 1.00 40.14 H new ATOM 0 HB VAL A 104 2.973 -10.398 4.698 1.00 21.02 H new ATOM 0 HG11 VAL A 104 5.153 -11.045 3.745 1.00 10.23 H new ATOM 0 HG12 VAL A 104 4.287 -9.886 2.708 1.00 10.23 H new ATOM 0 HG13 VAL A 104 5.643 -9.334 3.721 1.00 10.23 H new ATOM 0 HG21 VAL A 104 4.844 -11.012 6.193 1.00 71.42 H new ATOM 0 HG22 VAL A 104 5.310 -9.297 6.301 1.00 71.42 H new ATOM 0 HG23 VAL A 104 3.744 -9.837 6.952 1.00 71.42 H new ATOM 1701 N LEU A 105 3.196 -7.736 2.332 1.00 24.21 N ATOM 1702 CA LEU A 105 2.547 -7.515 1.030 1.00 33.45 C ATOM 1703 C LEU A 105 2.436 -8.808 0.203 1.00 24.34 C ATOM 1704 O LEU A 105 3.445 -9.395 -0.204 1.00 72.23 O ATOM 1705 CB LEU A 105 3.311 -6.458 0.222 1.00 33.51 C ATOM 1706 CG LEU A 105 3.374 -5.057 0.847 1.00 4.14 C ATOM 1707 CD1 LEU A 105 4.106 -4.090 -0.079 1.00 15.12 C ATOM 1708 CD2 LEU A 105 1.972 -4.538 1.174 1.00 42.21 C ATOM 0 H LEU A 105 4.206 -7.596 2.328 1.00 24.21 H new ATOM 0 HA LEU A 105 1.537 -7.164 1.239 1.00 33.45 H new ATOM 0 HB2 LEU A 105 4.330 -6.813 0.067 1.00 33.51 H new ATOM 0 HB3 LEU A 105 2.849 -6.376 -0.762 1.00 33.51 H new ATOM 0 HG LEU A 105 3.931 -5.127 1.781 1.00 4.14 H new ATOM 0 HD11 LEU A 105 4.141 -3.102 0.381 1.00 15.12 H new ATOM 0 HD12 LEU A 105 5.122 -4.447 -0.249 1.00 15.12 H new ATOM 0 HD13 LEU A 105 3.579 -4.029 -1.031 1.00 15.12 H new ATOM 0 HD21 LEU A 105 2.046 -3.544 1.615 1.00 42.21 H new ATOM 0 HD22 LEU A 105 1.381 -4.486 0.260 1.00 42.21 H new ATOM 0 HD23 LEU A 105 1.489 -5.214 1.880 1.00 42.21 H new ATOM 1720 N LEU A 106 1.203 -9.260 -0.019 1.00 41.44 N ATOM 1721 CA LEU A 106 0.916 -10.353 -0.958 1.00 50.21 C ATOM 1722 C LEU A 106 -0.412 -10.090 -1.688 1.00 4.21 C ATOM 1723 O LEU A 106 -1.173 -9.219 -1.292 1.00 54.23 O ATOM 1724 CB LEU A 106 0.899 -11.729 -0.253 1.00 32.53 C ATOM 1725 CG LEU A 106 -0.059 -11.877 0.946 1.00 65.35 C ATOM 1726 CD1 LEU A 106 -0.269 -13.351 1.289 1.00 74.13 C ATOM 1727 CD2 LEU A 106 0.474 -11.126 2.165 1.00 74.11 C ATOM 0 H LEU A 106 0.375 -8.883 0.443 1.00 41.44 H new ATOM 0 HA LEU A 106 1.720 -10.383 -1.693 1.00 50.21 H new ATOM 0 HB2 LEU A 106 0.640 -12.487 -0.992 1.00 32.53 H new ATOM 0 HB3 LEU A 106 1.910 -11.949 0.089 1.00 32.53 H new ATOM 0 HG LEU A 106 -1.018 -11.443 0.664 1.00 65.35 H new ATOM 0 HD11 LEU A 106 -0.948 -13.434 2.138 1.00 74.13 H new ATOM 0 HD12 LEU A 106 -0.697 -13.867 0.430 1.00 74.13 H new ATOM 0 HD13 LEU A 106 0.688 -13.805 1.545 1.00 74.13 H new ATOM 0 HD21 LEU A 106 -0.219 -11.245 2.998 1.00 74.11 H new ATOM 0 HD22 LEU A 106 1.448 -11.529 2.443 1.00 74.11 H new ATOM 0 HD23 LEU A 106 0.574 -10.067 1.925 1.00 74.11 H new ATOM 1739 N ASN A 107 -0.679 -10.842 -2.750 1.00 64.42 N ATOM 1740 CA ASN A 107 -1.886 -10.659 -3.572 1.00 45.11 C ATOM 1741 C ASN A 107 -2.052 -9.198 -4.060 1.00 53.03 C ATOM 1742 O ASN A 107 -2.892 -8.453 -3.547 1.00 61.43 O ATOM 1743 CB ASN A 107 -3.154 -11.073 -2.807 1.00 72.15 C ATOM 1744 CG ASN A 107 -2.970 -12.282 -1.908 1.00 73.02 C ATOM 1745 OD1 ASN A 107 -2.136 -13.148 -2.150 1.00 3.12 O ATOM 1746 ND2 ASN A 107 -3.775 -12.351 -0.868 1.00 12.23 N ATOM 0 H ASN A 107 -0.071 -11.596 -3.071 1.00 64.42 H new ATOM 0 HA ASN A 107 -1.755 -11.303 -4.441 1.00 45.11 H new ATOM 0 HB2 ASN A 107 -3.491 -10.232 -2.201 1.00 72.15 H new ATOM 0 HB3 ASN A 107 -3.946 -11.285 -3.526 1.00 72.15 H new ATOM 0 HD21 ASN A 107 -3.717 -13.145 -0.230 1.00 12.23 H new ATOM 0 HD22 ASN A 107 -4.456 -11.610 -0.700 1.00 12.23 H new ATOM 1753 N PRO A 108 -1.246 -8.755 -5.044 1.00 43.14 N ATOM 1754 CA PRO A 108 -1.413 -7.420 -5.641 1.00 41.34 C ATOM 1755 C PRO A 108 -2.668 -7.342 -6.530 1.00 64.31 C ATOM 1756 O PRO A 108 -2.647 -7.751 -7.693 1.00 53.51 O ATOM 1757 CB PRO A 108 -0.131 -7.233 -6.464 1.00 22.04 C ATOM 1758 CG PRO A 108 0.324 -8.620 -6.785 1.00 41.05 C ATOM 1759 CD PRO A 108 -0.113 -9.493 -5.633 1.00 75.34 C ATOM 0 HA PRO A 108 -1.555 -6.642 -4.891 1.00 41.34 H new ATOM 0 HB2 PRO A 108 -0.324 -6.660 -7.371 1.00 22.04 H new ATOM 0 HB3 PRO A 108 0.626 -6.690 -5.899 1.00 22.04 H new ATOM 0 HG2 PRO A 108 -0.115 -8.965 -7.721 1.00 41.05 H new ATOM 0 HG3 PRO A 108 1.406 -8.654 -6.909 1.00 41.05 H new ATOM 0 HD2 PRO A 108 -0.414 -10.484 -5.973 1.00 75.34 H new ATOM 0 HD3 PRO A 108 0.691 -9.635 -4.911 1.00 75.34 H new ATOM 1767 N ILE A 109 -3.764 -6.832 -5.965 1.00 21.01 N ATOM 1768 CA ILE A 109 -5.058 -6.798 -6.662 1.00 1.20 C ATOM 1769 C ILE A 109 -5.062 -5.790 -7.828 1.00 22.33 C ATOM 1770 O ILE A 109 -4.994 -4.573 -7.614 1.00 74.22 O ATOM 1771 CB ILE A 109 -6.211 -6.460 -5.684 1.00 61.00 C ATOM 1772 CG1 ILE A 109 -6.226 -7.455 -4.506 1.00 24.14 C ATOM 1773 CG2 ILE A 109 -7.558 -6.460 -6.412 1.00 42.22 C ATOM 1774 CD1 ILE A 109 -6.387 -8.909 -4.922 1.00 70.31 C ATOM 0 H ILE A 109 -3.785 -6.436 -5.025 1.00 21.01 H new ATOM 0 HA ILE A 109 -5.215 -7.796 -7.072 1.00 1.20 H new ATOM 0 HB ILE A 109 -6.043 -5.459 -5.287 1.00 61.00 H new ATOM 0 HG12 ILE A 109 -5.298 -7.350 -3.944 1.00 24.14 H new ATOM 0 HG13 ILE A 109 -7.039 -7.189 -3.831 1.00 24.14 H new ATOM 0 HG21 ILE A 109 -8.353 -6.220 -5.706 1.00 42.22 H new ATOM 0 HG22 ILE A 109 -7.542 -5.715 -7.207 1.00 42.22 H new ATOM 0 HG23 ILE A 109 -7.739 -7.445 -6.842 1.00 42.22 H new ATOM 0 HD11 ILE A 109 -6.388 -9.543 -4.035 1.00 70.31 H new ATOM 0 HD12 ILE A 109 -7.329 -9.032 -5.457 1.00 70.31 H new ATOM 0 HD13 ILE A 109 -5.560 -9.195 -5.572 1.00 70.31 H new ATOM 1786 N PRO A 110 -5.162 -6.292 -9.081 1.00 5.13 N ATOM 1787 CA PRO A 110 -5.113 -5.454 -10.297 1.00 32.23 C ATOM 1788 C PRO A 110 -6.174 -4.344 -10.339 1.00 22.33 C ATOM 1789 O PRO A 110 -7.251 -4.464 -9.750 1.00 32.14 O ATOM 1790 CB PRO A 110 -5.345 -6.462 -11.434 1.00 33.01 C ATOM 1791 CG PRO A 110 -4.937 -7.776 -10.863 1.00 32.32 C ATOM 1792 CD PRO A 110 -5.321 -7.721 -9.412 1.00 42.21 C ATOM 0 HA PRO A 110 -4.168 -4.914 -10.357 1.00 32.23 H new ATOM 0 HB2 PRO A 110 -6.389 -6.473 -11.747 1.00 33.01 H new ATOM 0 HB3 PRO A 110 -4.752 -6.211 -12.313 1.00 33.01 H new ATOM 0 HG2 PRO A 110 -5.441 -8.598 -11.371 1.00 32.32 H new ATOM 0 HG3 PRO A 110 -3.865 -7.938 -10.979 1.00 32.32 H new ATOM 0 HD2 PRO A 110 -6.344 -8.061 -9.252 1.00 42.21 H new ATOM 0 HD3 PRO A 110 -4.676 -8.351 -8.800 1.00 42.21 H new ATOM 1800 N LYS A 111 -5.859 -3.268 -11.055 1.00 32.31 N ATOM 1801 CA LYS A 111 -6.751 -2.110 -11.162 1.00 44.24 C ATOM 1802 C LYS A 111 -7.772 -2.251 -12.305 1.00 33.44 C ATOM 1803 O LYS A 111 -7.610 -3.068 -13.213 1.00 64.40 O ATOM 1804 CB LYS A 111 -5.934 -0.809 -11.315 1.00 73.41 C ATOM 1805 CG LYS A 111 -4.761 -0.874 -12.305 1.00 22.34 C ATOM 1806 CD LYS A 111 -5.209 -1.069 -13.755 1.00 31.30 C ATOM 1807 CE LYS A 111 -4.046 -0.937 -14.736 1.00 1.35 C ATOM 1808 NZ LYS A 111 -2.919 -1.844 -14.405 1.00 1.03 N ATOM 0 H LYS A 111 -4.987 -3.171 -11.574 1.00 32.31 H new ATOM 0 HA LYS A 111 -7.323 -2.063 -10.235 1.00 44.24 H new ATOM 0 HB2 LYS A 111 -6.608 -0.013 -11.630 1.00 73.41 H new ATOM 0 HB3 LYS A 111 -5.545 -0.528 -10.336 1.00 73.41 H new ATOM 0 HG2 LYS A 111 -4.180 0.045 -12.231 1.00 22.34 H new ATOM 0 HG3 LYS A 111 -4.100 -1.693 -12.022 1.00 22.34 H new ATOM 0 HD2 LYS A 111 -5.665 -2.053 -13.864 1.00 31.30 H new ATOM 0 HD3 LYS A 111 -5.975 -0.333 -14.000 1.00 31.30 H new ATOM 0 HE2 LYS A 111 -4.399 -1.154 -15.744 1.00 1.35 H new ATOM 0 HE3 LYS A 111 -3.691 0.094 -14.737 1.00 1.35 H new ATOM 0 HZ1 LYS A 111 -2.360 -2.030 -15.262 1.00 1.03 H new ATOM 0 HZ2 LYS A 111 -2.314 -1.398 -13.687 1.00 1.03 H new ATOM 0 HZ3 LYS A 111 -3.293 -2.741 -14.034 1.00 1.03 H new ATOM 1822 N ASP A 112 -8.828 -1.444 -12.231 1.00 41.31 N ATOM 1823 CA ASP A 112 -9.873 -1.401 -13.259 1.00 54.32 C ATOM 1824 C ASP A 112 -9.743 -0.134 -14.130 1.00 1.11 C ATOM 1825 O ASP A 112 -9.055 0.817 -13.757 1.00 65.02 O ATOM 1826 CB ASP A 112 -11.254 -1.463 -12.586 1.00 62.12 C ATOM 1827 CG ASP A 112 -11.366 -0.520 -11.395 1.00 11.23 C ATOM 1828 OD1 ASP A 112 -10.858 -0.871 -10.304 1.00 62.54 O ATOM 1829 OD2 ASP A 112 -11.960 0.567 -11.536 1.00 45.42 O ATOM 0 H ASP A 112 -8.986 -0.799 -11.457 1.00 41.31 H new ATOM 0 HA ASP A 112 -9.757 -2.262 -13.917 1.00 54.32 H new ATOM 0 HB2 ASP A 112 -12.022 -1.212 -13.317 1.00 62.12 H new ATOM 0 HB3 ASP A 112 -11.448 -2.484 -12.257 1.00 62.12 H new ATOM 1834 N LYS A 113 -10.409 -0.122 -15.288 1.00 11.40 N ATOM 1835 CA LYS A 113 -10.340 1.024 -16.207 1.00 74.44 C ATOM 1836 C LYS A 113 -11.236 2.173 -15.714 1.00 3.14 C ATOM 1837 O LYS A 113 -12.229 2.525 -16.354 1.00 64.42 O ATOM 1838 CB LYS A 113 -10.759 0.619 -17.635 1.00 41.15 C ATOM 1839 CG LYS A 113 -9.834 -0.382 -18.335 1.00 53.24 C ATOM 1840 CD LYS A 113 -9.900 -1.781 -17.716 1.00 72.43 C ATOM 1841 CE LYS A 113 -9.255 -2.836 -18.612 1.00 32.24 C ATOM 1842 NZ LYS A 113 -7.808 -2.586 -18.842 1.00 54.22 N ATOM 0 H LYS A 113 -11.000 -0.887 -15.613 1.00 11.40 H new ATOM 0 HA LYS A 113 -9.304 1.363 -16.229 1.00 74.44 H new ATOM 0 HB2 LYS A 113 -11.762 0.193 -17.594 1.00 41.15 H new ATOM 0 HB3 LYS A 113 -10.820 1.519 -18.246 1.00 41.15 H new ATOM 0 HG2 LYS A 113 -10.103 -0.443 -19.390 1.00 53.24 H new ATOM 0 HG3 LYS A 113 -8.808 -0.017 -18.288 1.00 53.24 H new ATOM 0 HD2 LYS A 113 -9.399 -1.773 -16.748 1.00 72.43 H new ATOM 0 HD3 LYS A 113 -10.941 -2.048 -17.534 1.00 72.43 H new ATOM 0 HE2 LYS A 113 -9.382 -3.819 -18.158 1.00 32.24 H new ATOM 0 HE3 LYS A 113 -9.773 -2.858 -19.571 1.00 32.24 H new ATOM 0 HZ1 LYS A 113 -7.413 -3.349 -19.428 1.00 54.22 H new ATOM 0 HZ2 LYS A 113 -7.686 -1.676 -19.330 1.00 54.22 H new ATOM 0 HZ3 LYS A 113 -7.311 -2.558 -17.929 1.00 54.22 H new ATOM 1856 N LYS A 114 -10.893 2.747 -14.567 1.00 32.30 N ATOM 1857 CA LYS A 114 -11.717 3.784 -13.948 1.00 1.21 C ATOM 1858 C LYS A 114 -11.444 5.178 -14.537 1.00 33.21 C ATOM 1859 O LYS A 114 -10.487 5.857 -14.160 1.00 75.32 O ATOM 1860 CB LYS A 114 -11.499 3.796 -12.425 1.00 4.43 C ATOM 1861 CG LYS A 114 -12.198 4.953 -11.712 1.00 4.25 C ATOM 1862 CD LYS A 114 -12.030 4.901 -10.193 1.00 73.31 C ATOM 1863 CE LYS A 114 -13.005 3.933 -9.530 1.00 42.42 C ATOM 1864 NZ LYS A 114 -12.738 2.508 -9.873 1.00 15.40 N ATOM 0 H LYS A 114 -10.049 2.513 -14.044 1.00 32.30 H new ATOM 0 HA LYS A 114 -12.758 3.542 -14.164 1.00 1.21 H new ATOM 0 HB2 LYS A 114 -11.858 2.855 -12.008 1.00 4.43 H new ATOM 0 HB3 LYS A 114 -10.430 3.848 -12.221 1.00 4.43 H new ATOM 0 HG2 LYS A 114 -11.800 5.897 -12.085 1.00 4.25 H new ATOM 0 HG3 LYS A 114 -13.260 4.936 -11.956 1.00 4.25 H new ATOM 0 HD2 LYS A 114 -11.009 4.604 -9.954 1.00 73.31 H new ATOM 0 HD3 LYS A 114 -12.177 5.899 -9.780 1.00 73.31 H new ATOM 0 HE2 LYS A 114 -12.951 4.056 -8.448 1.00 42.42 H new ATOM 0 HE3 LYS A 114 -14.021 4.188 -9.830 1.00 42.42 H new ATOM 0 HZ1 LYS A 114 -13.123 1.893 -9.128 1.00 15.40 H new ATOM 0 HZ2 LYS A 114 -13.192 2.278 -10.780 1.00 15.40 H new ATOM 0 HZ3 LYS A 114 -11.712 2.356 -9.951 1.00 15.40 H new ATOM 1878 N TRP A 115 -12.291 5.592 -15.478 1.00 33.44 N ATOM 1879 CA TRP A 115 -12.279 6.970 -15.991 1.00 30.34 C ATOM 1880 C TRP A 115 -13.466 7.766 -15.428 1.00 40.45 C ATOM 1881 O TRP A 115 -13.756 8.882 -15.870 1.00 42.22 O ATOM 1882 CB TRP A 115 -12.330 6.974 -17.526 1.00 35.14 C ATOM 1883 CG TRP A 115 -11.124 6.345 -18.162 1.00 20.24 C ATOM 1884 CD1 TRP A 115 -11.051 5.117 -18.761 1.00 51.23 C ATOM 1885 CD2 TRP A 115 -9.813 6.913 -18.253 1.00 25.25 C ATOM 1886 NE1 TRP A 115 -9.777 4.898 -19.225 1.00 32.02 N ATOM 1887 CE2 TRP A 115 -8.999 5.983 -18.926 1.00 63.50 C ATOM 1888 CE3 TRP A 115 -9.252 8.124 -17.839 1.00 45.11 C ATOM 1889 CZ2 TRP A 115 -7.654 6.224 -19.188 1.00 3.12 C ATOM 1890 CZ3 TRP A 115 -7.915 8.361 -18.097 1.00 70.45 C ATOM 1891 CH2 TRP A 115 -7.129 7.415 -18.769 1.00 30.54 C ATOM 0 H TRP A 115 -12.998 4.994 -15.905 1.00 33.44 H new ATOM 0 HA TRP A 115 -11.352 7.444 -15.668 1.00 30.34 H new ATOM 0 HB2 TRP A 115 -13.224 6.443 -17.854 1.00 35.14 H new ATOM 0 HB3 TRP A 115 -12.423 8.002 -17.877 1.00 35.14 H new ATOM 0 HD1 TRP A 115 -11.873 4.423 -18.855 1.00 51.23 H new ATOM 0 HE1 TRP A 115 -9.461 4.060 -19.714 1.00 32.02 H new ATOM 0 HE3 TRP A 115 -9.852 8.861 -17.327 1.00 45.11 H new ATOM 0 HZ2 TRP A 115 -7.046 5.496 -19.704 1.00 3.12 H new ATOM 0 HZ3 TRP A 115 -7.469 9.290 -17.775 1.00 70.45 H new ATOM 0 HH2 TRP A 115 -6.088 7.631 -18.960 1.00 30.54 H new ATOM 1902 N ILE A 116 -14.126 7.189 -14.425 1.00 72.34 N ATOM 1903 CA ILE A 116 -15.328 7.775 -13.821 1.00 41.32 C ATOM 1904 C ILE A 116 -15.157 8.002 -12.303 1.00 34.32 C ATOM 1905 O ILE A 116 -15.405 9.135 -11.835 1.00 37.41 O ATOM 1906 CB ILE A 116 -16.604 6.916 -14.091 1.00 25.34 C ATOM 1907 CG1 ILE A 116 -16.471 5.471 -13.557 1.00 2.55 C ATOM 1908 CG2 ILE A 116 -16.926 6.907 -15.586 1.00 75.13 C ATOM 1909 CD1 ILE A 116 -15.641 4.540 -14.426 1.00 75.42 C ATOM 1910 OXT ILE A 116 -14.746 7.057 -11.587 1.00 37.41 O ATOM 0 H ILE A 116 -13.845 6.302 -14.006 1.00 72.34 H new ATOM 0 HA ILE A 116 -15.464 8.744 -14.302 1.00 41.32 H new ATOM 0 HB ILE A 116 -17.426 7.379 -13.546 1.00 25.34 H new ATOM 0 HG12 ILE A 116 -16.028 5.507 -12.562 1.00 2.55 H new ATOM 0 HG13 ILE A 116 -17.469 5.047 -13.446 1.00 2.55 H new ATOM 0 HG21 ILE A 116 -17.817 6.305 -15.763 1.00 75.13 H new ATOM 0 HG22 ILE A 116 -17.104 7.927 -15.926 1.00 75.13 H new ATOM 0 HG23 ILE A 116 -16.087 6.482 -16.136 1.00 75.13 H new ATOM 0 HD11 ILE A 116 -15.606 3.551 -13.969 1.00 75.42 H new ATOM 0 HD12 ILE A 116 -16.092 4.467 -15.415 1.00 75.42 H new ATOM 0 HD13 ILE A 116 -14.629 4.934 -14.517 1.00 75.42 H new TER 1922 ILE A 116