USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1141 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 134 LYS NZ :NH3+ -133:sc= 1.04 (180deg=0) USER MOD Set 1.2: A 137 TYR OH : rot 30:sc= 0.805 USER MOD Set 2.1: A 117 SER OG : rot 77:sc= 1.49 USER MOD Set 2.2: A 120 SER OG : rot -99:sc= -0.317 USER MOD Set 2.3: A 130 HIS : no HD1:sc= -8.35! C(o=-7.2!,f=-10!) USER MOD Set 3.1: A 97 GLN : amide:sc= -4.91! C(o=-4.9!,f=-15!) USER MOD Set 3.2: A 99 SER OG : rot 115:sc= -0.0116 USER MOD Set 4.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 125 THR OG1 : rot 150:sc= -0.669 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -126:sc= -0.0713 (180deg=-0.744) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -1.32 F(o=-4.2!,f=-1.3) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.072) USER MOD Single : A 12 LYS NZ :NH3+ -132:sc= -1.56 (180deg=-2.91!) USER MOD Single : A 13 GLN : amide:sc= -1.74 K(o=-1.7,f=-5.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00949 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= -0.58 (180deg=-2.58!) USER MOD Single : A 34 THR OG1 : rot -22:sc= 1.18 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.651 F(o=-1.2,f=-0.65) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A 46 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= -1.49 (180deg=-3.78!) USER MOD Single : A 52 MET CE :methyl -171:sc= -0.557 (180deg=-0.821) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.331 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00664 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= -0.833 (180deg=-1.33!) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.0256 (180deg=-0.294) USER MOD Single : A 65 ASN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.289 F(o=-2!,f=-0.29) USER MOD Single : A 69 ASN :FLIP amide:sc= -8.9! C(o=-10!,f=-8.9!) USER MOD Single : A 73 TYR OH : rot 93:sc= 1.72 USER MOD Single : A 74 HIS : no HD1:sc= -2.39! X(o=-2.4!,f=-2.3) USER MOD Single : A 76 THR OG1 : rot 111:sc= -1.72! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= -0.0204 (180deg=-0.193) USER MOD Single : A 95 THR OG1 : rot -66:sc= 0.25 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.4) USER MOD Single : A 109 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 113 ASN :FLIP amide:sc= 0.504 F(o=-1.4,f=0.5) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -163:sc= -0.118 (180deg=-0.701) USER MOD Single : A 124 THR OG1 : rot -1:sc= -3.05! USER MOD Single : A 126 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.059 18.902 6.909 1.00 0.00 N ATOM 2 CA GLY A 1 -19.838 17.494 7.222 1.00 0.00 C ATOM 3 C GLY A 1 -21.077 16.665 6.905 1.00 0.00 C ATOM 4 O GLY A 1 -22.113 16.806 7.556 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.202 19.446 7.133 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.278 19.002 5.897 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.855 19.262 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.989 17.119 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.584 17.387 8.277 1.00 0.00 H new ATOM 8 N ALA A 2 -20.964 15.800 5.902 1.00 0.00 N ATOM 9 CA ALA A 2 -22.083 14.953 5.508 1.00 0.00 C ATOM 10 C ALA A 2 -21.581 13.681 4.835 1.00 0.00 C ATOM 11 O ALA A 2 -22.094 12.592 5.090 1.00 0.00 O ATOM 12 CB ALA A 2 -23.003 15.713 4.551 1.00 0.00 C ATOM 0 H ALA A 2 -20.116 15.668 5.351 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.640 14.679 6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -23.836 15.073 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.386 16.605 5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.443 16.004 3.662 1.00 0.00 H new ATOM 18 N MET A 3 -20.577 13.829 3.974 1.00 0.00 N ATOM 19 CA MET A 3 -20.011 12.686 3.265 1.00 0.00 C ATOM 20 C MET A 3 -18.514 12.585 3.525 1.00 0.00 C ATOM 21 O MET A 3 -17.778 13.556 3.348 1.00 0.00 O ATOM 22 CB MET A 3 -20.264 12.823 1.763 1.00 0.00 C ATOM 23 CG MET A 3 -20.770 14.234 1.454 1.00 0.00 C ATOM 24 SD MET A 3 -20.987 14.420 -0.332 1.00 0.00 S ATOM 25 CE MET A 3 -22.761 14.783 -0.307 1.00 0.00 C ATOM 0 H MET A 3 -20.141 14.724 3.752 1.00 0.00 H new ATOM 0 HA MET A 3 -20.494 11.780 3.631 1.00 0.00 H new ATOM 0 HB2 MET A 3 -19.346 12.626 1.210 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.996 12.084 1.438 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.715 14.413 1.966 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.061 14.975 1.824 1.00 0.00 H new ATOM 0 HE1 MET A 3 -23.115 14.937 -1.326 1.00 0.00 H new ATOM 0 HE2 MET A 3 -23.297 13.947 0.141 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.940 15.685 0.279 1.00 0.00 H new ATOM 35 N GLU A 4 -18.069 11.405 3.948 1.00 0.00 N ATOM 36 CA GLU A 4 -16.654 11.188 4.231 1.00 0.00 C ATOM 37 C GLU A 4 -16.015 10.332 3.144 1.00 0.00 C ATOM 38 O GLU A 4 -16.675 9.495 2.530 1.00 0.00 O ATOM 39 CB GLU A 4 -16.494 10.497 5.586 1.00 0.00 C ATOM 40 CG GLU A 4 -17.203 11.316 6.667 1.00 0.00 C ATOM 41 CD GLU A 4 -18.240 10.454 7.379 1.00 0.00 C ATOM 42 OE1 GLU A 4 -17.840 9.573 8.121 1.00 0.00 O ATOM 43 OE2 GLU A 4 -19.419 10.688 7.171 1.00 0.00 O ATOM 0 H GLU A 4 -18.663 10.590 4.101 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.155 12.157 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.913 9.491 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.437 10.392 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.475 11.692 7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.686 12.184 6.219 1.00 0.00 H new ATOM 50 N LYS A 5 -14.723 10.547 2.913 1.00 0.00 N ATOM 51 CA LYS A 5 -14.003 9.786 1.900 1.00 0.00 C ATOM 52 C LYS A 5 -13.335 8.565 2.521 1.00 0.00 C ATOM 53 O LYS A 5 -12.520 8.688 3.436 1.00 0.00 O ATOM 54 CB LYS A 5 -12.941 10.670 1.240 1.00 0.00 C ATOM 55 CG LYS A 5 -13.624 11.804 0.472 1.00 0.00 C ATOM 56 CD LYS A 5 -13.919 11.349 -0.959 1.00 0.00 C ATOM 57 CE LYS A 5 -14.854 12.354 -1.631 1.00 0.00 C ATOM 58 NZ LYS A 5 -16.186 12.319 -0.962 1.00 0.00 N ATOM 0 H LYS A 5 -14.158 11.236 3.409 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.717 9.452 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.273 11.080 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.328 10.076 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.550 12.090 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.983 12.686 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.991 11.266 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.377 10.360 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.431 13.357 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.960 12.116 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.927 12.156 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.203 11.550 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.358 13.226 -0.484 1.00 0.00 H new ATOM 72 N SER A 6 -13.684 7.385 2.017 1.00 0.00 N ATOM 73 CA SER A 6 -13.111 6.146 2.530 1.00 0.00 C ATOM 74 C SER A 6 -11.963 5.677 1.642 1.00 0.00 C ATOM 75 O SER A 6 -11.699 6.265 0.592 1.00 0.00 O ATOM 76 CB SER A 6 -14.183 5.060 2.591 1.00 0.00 C ATOM 77 OG SER A 6 -15.373 5.604 3.148 1.00 0.00 O ATOM 0 H SER A 6 -14.356 7.261 1.260 1.00 0.00 H new ATOM 0 HA SER A 6 -12.727 6.335 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.380 4.671 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.835 4.223 3.196 1.00 0.00 H new ATOM 0 HG SER A 6 -16.063 4.909 3.187 1.00 0.00 H new ATOM 83 N LEU A 7 -11.278 4.621 2.074 1.00 0.00 N ATOM 84 CA LEU A 7 -10.159 4.092 1.307 1.00 0.00 C ATOM 85 C LEU A 7 -10.587 3.761 -0.122 1.00 0.00 C ATOM 86 O LEU A 7 -10.093 4.354 -1.084 1.00 0.00 O ATOM 87 CB LEU A 7 -9.623 2.828 1.983 1.00 0.00 C ATOM 88 CG LEU A 7 -8.098 2.908 2.085 1.00 0.00 C ATOM 89 CD1 LEU A 7 -7.564 1.648 2.769 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.500 3.018 0.680 1.00 0.00 C ATOM 0 H LEU A 7 -11.477 4.121 2.941 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.378 4.852 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.059 2.722 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.914 1.947 1.411 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.818 3.784 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.478 1.706 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.990 1.568 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.843 0.771 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.414 3.075 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.780 2.142 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.880 3.916 0.192 1.00 0.00 H new ATOM 102 N HIS A 8 -11.518 2.819 -0.251 1.00 0.00 N ATOM 103 CA HIS A 8 -12.013 2.424 -1.565 1.00 0.00 C ATOM 104 C HIS A 8 -12.387 3.659 -2.382 1.00 0.00 C ATOM 105 O HIS A 8 -12.047 3.760 -3.560 1.00 0.00 O ATOM 106 CB HIS A 8 -13.235 1.521 -1.411 1.00 0.00 C ATOM 107 CG HIS A 8 -13.775 1.624 -0.010 1.00 0.00 C ATOM 108 ND1 HIS A 8 -13.339 1.099 1.181 1.00 0.00 N flip ATOM 109 CD2 HIS A 8 -14.929 2.331 0.288 1.00 0.00 C flip ATOM 110 CE1 HIS A 8 -14.205 1.472 2.203 1.00 0.00 C flip ATOM 111 NE2 HIS A 8 -15.146 2.213 1.611 1.00 0.00 N flip ATOM 0 H HIS A 8 -11.941 2.319 0.531 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.226 1.879 -2.086 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.004 1.809 -2.128 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.965 0.488 -1.631 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -15.542 2.877 -0.413 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -14.133 1.217 3.250 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.933 2.638 2.102 1.00 0.00 H new ATOM 120 N GLU A 9 -13.083 4.597 -1.747 1.00 0.00 N ATOM 121 CA GLU A 9 -13.490 5.823 -2.424 1.00 0.00 C ATOM 122 C GLU A 9 -12.296 6.465 -3.121 1.00 0.00 C ATOM 123 O GLU A 9 -12.365 6.815 -4.298 1.00 0.00 O ATOM 124 CB GLU A 9 -14.084 6.805 -1.412 1.00 0.00 C ATOM 125 CG GLU A 9 -15.439 7.305 -1.917 1.00 0.00 C ATOM 126 CD GLU A 9 -15.251 8.103 -3.203 1.00 0.00 C ATOM 127 OE1 GLU A 9 -15.216 7.491 -4.258 1.00 0.00 O ATOM 128 OE2 GLU A 9 -15.145 9.315 -3.113 1.00 0.00 O ATOM 0 H GLU A 9 -13.375 4.533 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.244 5.574 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.202 6.318 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.406 7.646 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.104 6.460 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.913 7.928 -1.158 1.00 0.00 H new ATOM 135 N LYS A 10 -11.196 6.609 -2.390 1.00 0.00 N ATOM 136 CA LYS A 10 -9.989 7.204 -2.954 1.00 0.00 C ATOM 137 C LYS A 10 -9.500 6.386 -4.143 1.00 0.00 C ATOM 138 O LYS A 10 -9.234 6.928 -5.213 1.00 0.00 O ATOM 139 CB LYS A 10 -8.890 7.263 -1.890 1.00 0.00 C ATOM 140 CG LYS A 10 -7.770 8.192 -2.366 1.00 0.00 C ATOM 141 CD LYS A 10 -8.108 9.639 -1.996 1.00 0.00 C ATOM 142 CE LYS A 10 -7.333 10.035 -0.737 1.00 0.00 C ATOM 143 NZ LYS A 10 -7.875 11.316 -0.204 1.00 0.00 N ATOM 0 H LYS A 10 -11.114 6.325 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.225 8.214 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.301 7.624 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.495 6.264 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.824 7.901 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.644 8.102 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.852 10.306 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.180 9.742 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.416 9.251 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.273 10.144 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.163 11.767 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.106 11.951 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.735 11.126 0.350 1.00 0.00 H new ATOM 157 N LEU A 11 -9.385 5.075 -3.949 1.00 0.00 N ATOM 158 CA LEU A 11 -8.927 4.191 -5.018 1.00 0.00 C ATOM 159 C LEU A 11 -9.885 4.235 -6.202 1.00 0.00 C ATOM 160 O LEU A 11 -9.492 3.991 -7.343 1.00 0.00 O ATOM 161 CB LEU A 11 -8.818 2.758 -4.495 1.00 0.00 C ATOM 162 CG LEU A 11 -7.991 2.738 -3.213 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.855 1.298 -2.713 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.598 3.309 -3.496 1.00 0.00 C ATOM 0 H LEU A 11 -9.600 4.604 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.947 4.532 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.812 2.354 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.354 2.120 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.487 3.342 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.264 1.285 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.845 0.888 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.359 0.694 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.006 3.295 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.104 2.704 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.691 4.335 -3.853 1.00 0.00 H new ATOM 176 N LYS A 12 -11.144 4.547 -5.924 1.00 0.00 N ATOM 177 CA LYS A 12 -12.152 4.618 -6.975 1.00 0.00 C ATOM 178 C LYS A 12 -12.079 5.961 -7.699 1.00 0.00 C ATOM 179 O LYS A 12 -12.347 6.048 -8.897 1.00 0.00 O ATOM 180 CB LYS A 12 -13.547 4.443 -6.372 1.00 0.00 C ATOM 181 CG LYS A 12 -14.035 3.013 -6.617 1.00 0.00 C ATOM 182 CD LYS A 12 -15.192 2.698 -5.667 1.00 0.00 C ATOM 183 CE LYS A 12 -16.353 3.655 -5.938 1.00 0.00 C ATOM 184 NZ LYS A 12 -16.171 4.899 -5.137 1.00 0.00 N ATOM 0 H LYS A 12 -11.490 4.754 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.959 3.819 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.521 4.651 -5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.240 5.156 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.359 2.900 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.219 2.307 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.518 1.667 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.863 2.793 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.398 3.897 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.299 3.179 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.060 5.131 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.419 4.752 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.907 5.683 -5.768 1.00 0.00 H new ATOM 198 N GLN A 13 -11.727 7.009 -6.960 1.00 0.00 N ATOM 199 CA GLN A 13 -11.634 8.342 -7.540 1.00 0.00 C ATOM 200 C GLN A 13 -10.303 8.530 -8.262 1.00 0.00 C ATOM 201 O GLN A 13 -10.227 9.240 -9.265 1.00 0.00 O ATOM 202 CB GLN A 13 -11.769 9.397 -6.440 1.00 0.00 C ATOM 203 CG GLN A 13 -13.250 9.634 -6.134 1.00 0.00 C ATOM 204 CD GLN A 13 -13.396 10.612 -4.972 1.00 0.00 C ATOM 205 OE1 GLN A 13 -13.013 10.298 -3.845 1.00 0.00 O ATOM 206 NE2 GLN A 13 -13.926 11.786 -5.182 1.00 0.00 N ATOM 0 H GLN A 13 -11.503 6.961 -5.966 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.442 8.457 -8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.250 9.067 -5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.299 10.328 -6.756 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.753 10.029 -7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.734 8.689 -5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.242 12.043 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.024 12.447 -4.411 1.00 0.00 H new ATOM 215 N ASP A 14 -9.261 7.891 -7.743 1.00 0.00 N ATOM 216 CA ASP A 14 -7.938 7.999 -8.345 1.00 0.00 C ATOM 217 C ASP A 14 -7.805 7.049 -9.530 1.00 0.00 C ATOM 218 O ASP A 14 -7.643 5.843 -9.351 1.00 0.00 O ATOM 219 CB ASP A 14 -6.864 7.676 -7.306 1.00 0.00 C ATOM 220 CG ASP A 14 -6.271 8.964 -6.746 1.00 0.00 C ATOM 221 OD1 ASP A 14 -5.182 9.322 -7.164 1.00 0.00 O ATOM 222 OD2 ASP A 14 -6.914 9.576 -5.908 1.00 0.00 O ATOM 0 H ASP A 14 -9.305 7.298 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.805 9.021 -8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.295 7.084 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.078 7.072 -7.760 1.00 0.00 H new ATOM 227 N LYS A 15 -7.868 7.602 -10.737 1.00 0.00 N ATOM 228 CA LYS A 15 -7.749 6.793 -11.944 1.00 0.00 C ATOM 229 C LYS A 15 -6.422 6.040 -11.953 1.00 0.00 C ATOM 230 O LYS A 15 -6.308 4.970 -12.547 1.00 0.00 O ATOM 231 CB LYS A 15 -7.843 7.686 -13.182 1.00 0.00 C ATOM 232 CG LYS A 15 -9.216 7.514 -13.833 1.00 0.00 C ATOM 233 CD LYS A 15 -9.329 8.446 -15.041 1.00 0.00 C ATOM 234 CE LYS A 15 -10.401 9.504 -14.771 1.00 0.00 C ATOM 235 NZ LYS A 15 -10.430 10.478 -15.898 1.00 0.00 N ATOM 0 H LYS A 15 -8.000 8.599 -10.905 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.564 6.069 -11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.689 8.729 -12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.057 7.426 -13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.355 6.479 -14.145 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.002 7.738 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.370 8.926 -15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.584 7.874 -15.933 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.376 9.030 -14.661 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.190 10.021 -13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.158 11.198 -15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.501 10.939 -15.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.651 9.978 -16.783 1.00 0.00 H new ATOM 249 N ARG A 16 -5.423 6.606 -11.285 1.00 0.00 N ATOM 250 CA ARG A 16 -4.108 5.977 -11.219 1.00 0.00 C ATOM 251 C ARG A 16 -4.220 4.562 -10.663 1.00 0.00 C ATOM 252 O ARG A 16 -3.466 3.670 -11.052 1.00 0.00 O ATOM 253 CB ARG A 16 -3.179 6.803 -10.327 1.00 0.00 C ATOM 254 CG ARG A 16 -3.707 8.236 -10.224 1.00 0.00 C ATOM 255 CD ARG A 16 -2.590 9.159 -9.738 1.00 0.00 C ATOM 256 NE ARG A 16 -1.902 9.760 -10.876 1.00 0.00 N ATOM 257 CZ ARG A 16 -1.116 10.820 -10.722 1.00 0.00 C ATOM 258 NH1 ARG A 16 -0.956 11.348 -9.539 1.00 0.00 N ATOM 259 NH2 ARG A 16 -0.496 11.327 -11.753 1.00 0.00 N ATOM 0 H ARG A 16 -5.497 7.492 -10.785 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.697 5.929 -12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.118 6.355 -9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.170 6.805 -10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.073 8.570 -11.195 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.551 8.275 -9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.005 9.940 -9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.881 8.596 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.027 9.359 -11.806 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.434 10.947 -8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.352 12.162 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.615 10.909 -12.676 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.108 12.141 -11.636 1.00 0.00 H new ATOM 273 N PHE A 17 -5.169 4.365 -9.752 1.00 0.00 N ATOM 274 CA PHE A 17 -5.380 3.051 -9.145 1.00 0.00 C ATOM 275 C PHE A 17 -6.630 2.390 -9.706 1.00 0.00 C ATOM 276 O PHE A 17 -7.238 1.545 -9.052 1.00 0.00 O ATOM 277 CB PHE A 17 -5.498 3.190 -7.627 1.00 0.00 C ATOM 278 CG PHE A 17 -4.446 4.153 -7.124 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.151 4.135 -7.667 1.00 0.00 C ATOM 280 CD2 PHE A 17 -4.763 5.066 -6.111 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.187 5.029 -7.200 1.00 0.00 C ATOM 282 CE2 PHE A 17 -3.794 5.960 -5.644 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.505 5.940 -6.188 1.00 0.00 C ATOM 0 H PHE A 17 -5.801 5.092 -9.418 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.523 2.421 -9.383 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.492 3.549 -7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.373 2.217 -7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.901 3.429 -8.446 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.757 5.080 -5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.193 5.017 -7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.041 6.665 -4.864 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.756 6.628 -5.826 1.00 0.00 H new ATOM 293 N SER A 18 -7.000 2.770 -10.925 1.00 0.00 N ATOM 294 CA SER A 18 -8.178 2.194 -11.567 1.00 0.00 C ATOM 295 C SER A 18 -7.986 0.687 -11.775 1.00 0.00 C ATOM 296 O SER A 18 -8.851 -0.133 -11.420 1.00 0.00 O ATOM 297 CB SER A 18 -8.418 2.876 -12.915 1.00 0.00 C ATOM 298 OG SER A 18 -9.285 2.069 -13.697 1.00 0.00 O ATOM 0 H SER A 18 -6.508 3.467 -11.484 1.00 0.00 H new ATOM 0 HA SER A 18 -9.043 2.353 -10.923 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.857 3.862 -12.764 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.472 3.024 -13.435 1.00 0.00 H new ATOM 0 HG SER A 18 -9.444 2.502 -14.562 1.00 0.00 H new ATOM 304 N THR A 19 -6.829 0.321 -12.334 1.00 0.00 N ATOM 305 CA THR A 19 -6.531 -1.089 -12.569 1.00 0.00 C ATOM 306 C THR A 19 -6.564 -1.852 -11.248 1.00 0.00 C ATOM 307 O THR A 19 -7.136 -2.935 -11.154 1.00 0.00 O ATOM 308 CB THR A 19 -5.157 -1.229 -13.230 1.00 0.00 C ATOM 309 OG1 THR A 19 -5.021 -0.233 -14.235 1.00 0.00 O ATOM 310 CG2 THR A 19 -5.033 -2.614 -13.856 1.00 0.00 C ATOM 0 H THR A 19 -6.098 0.969 -12.626 1.00 0.00 H new ATOM 0 HA THR A 19 -7.284 -1.509 -13.236 1.00 0.00 H new ATOM 0 HB THR A 19 -4.373 -1.103 -12.483 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.142 -0.316 -14.661 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.055 -2.714 -14.327 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.143 -3.374 -13.083 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.812 -2.745 -14.607 1.00 0.00 H new ATOM 318 N PHE A 20 -5.951 -1.273 -10.220 1.00 0.00 N ATOM 319 CA PHE A 20 -5.918 -1.903 -8.899 1.00 0.00 C ATOM 320 C PHE A 20 -7.316 -2.307 -8.497 1.00 0.00 C ATOM 321 O PHE A 20 -7.542 -3.393 -8.006 1.00 0.00 O ATOM 322 CB PHE A 20 -5.334 -0.926 -7.877 1.00 0.00 C ATOM 323 CG PHE A 20 -3.829 -0.861 -8.030 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.038 -0.448 -6.951 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.208 -1.194 -9.255 1.00 0.00 C ATOM 326 CE1 PHE A 20 -1.648 -0.391 -7.091 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.834 -1.137 -9.381 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.048 -0.728 -8.307 1.00 0.00 C ATOM 0 H PHE A 20 -5.472 -0.374 -10.273 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.289 -2.792 -8.935 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.766 0.065 -8.019 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.592 -1.244 -6.867 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.500 -0.174 -6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.812 -1.495 -10.098 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.036 -0.085 -6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.368 -1.411 -10.316 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.025 -0.671 -8.414 1.00 0.00 H new ATOM 338 N LEU A 21 -8.266 -1.427 -8.723 1.00 0.00 N ATOM 339 CA LEU A 21 -9.649 -1.719 -8.385 1.00 0.00 C ATOM 340 C LEU A 21 -10.179 -2.875 -9.190 1.00 0.00 C ATOM 341 O LEU A 21 -10.950 -3.690 -8.694 1.00 0.00 O ATOM 342 CB LEU A 21 -10.524 -0.480 -8.631 1.00 0.00 C ATOM 343 CG LEU A 21 -11.307 -0.115 -7.366 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.101 -1.326 -6.881 1.00 0.00 C ATOM 345 CD2 LEU A 21 -10.333 0.334 -6.277 1.00 0.00 C ATOM 0 H LEU A 21 -8.112 -0.507 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.683 -1.991 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.898 0.360 -8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.216 -0.673 -9.451 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.999 0.697 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.656 -1.061 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.798 -1.639 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.416 -2.144 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.889 0.594 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.638 -0.476 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.776 1.204 -6.623 1.00 0.00 H new ATOM 357 N SER A 22 -9.775 -2.938 -10.441 1.00 0.00 N ATOM 358 CA SER A 22 -10.243 -4.001 -11.329 1.00 0.00 C ATOM 359 C SER A 22 -9.724 -5.371 -10.909 1.00 0.00 C ATOM 360 O SER A 22 -10.424 -6.374 -11.029 1.00 0.00 O ATOM 361 CB SER A 22 -9.795 -3.709 -12.762 1.00 0.00 C ATOM 362 OG SER A 22 -10.938 -3.573 -13.602 1.00 0.00 O ATOM 0 H SER A 22 -9.129 -2.276 -10.871 1.00 0.00 H new ATOM 0 HA SER A 22 -11.331 -4.023 -11.267 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.201 -2.796 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.158 -4.515 -13.126 1.00 0.00 H new ATOM 0 HG SER A 22 -10.649 -3.384 -14.519 1.00 0.00 H new ATOM 368 N LEU A 23 -8.483 -5.408 -10.491 1.00 0.00 N ATOM 369 CA LEU A 23 -7.854 -6.659 -10.092 1.00 0.00 C ATOM 370 C LEU A 23 -8.086 -6.968 -8.616 1.00 0.00 C ATOM 371 O LEU A 23 -8.378 -8.110 -8.256 1.00 0.00 O ATOM 372 CB LEU A 23 -6.350 -6.594 -10.384 1.00 0.00 C ATOM 373 CG LEU A 23 -5.741 -5.360 -9.712 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.133 -5.745 -8.362 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.649 -4.766 -10.609 1.00 0.00 C ATOM 0 H LEU A 23 -7.881 -4.588 -10.415 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.310 -7.463 -10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.860 -7.497 -10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.181 -6.553 -11.460 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.527 -4.621 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.702 -4.861 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.909 -6.157 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.353 -6.491 -8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.219 -3.888 -10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.868 -5.509 -10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.082 -4.478 -11.567 1.00 0.00 H new ATOM 387 N LEU A 24 -7.877 -5.963 -7.774 1.00 0.00 N ATOM 388 CA LEU A 24 -8.014 -6.155 -6.344 1.00 0.00 C ATOM 389 C LEU A 24 -9.435 -6.592 -6.011 1.00 0.00 C ATOM 390 O LEU A 24 -9.654 -7.326 -5.049 1.00 0.00 O ATOM 391 CB LEU A 24 -7.632 -4.864 -5.599 1.00 0.00 C ATOM 392 CG LEU A 24 -8.872 -3.986 -5.422 1.00 0.00 C ATOM 393 CD1 LEU A 24 -9.699 -4.484 -4.234 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.453 -2.556 -5.164 1.00 0.00 C ATOM 0 H LEU A 24 -7.615 -5.019 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.335 -6.943 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.204 -5.107 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.868 -4.323 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.471 -4.037 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.580 -3.854 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.010 -5.513 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.096 -4.440 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.339 -1.934 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.848 -2.512 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.869 -2.190 -6.009 1.00 0.00 H new ATOM 406 N GLU A 25 -10.396 -6.098 -6.784 1.00 0.00 N ATOM 407 CA GLU A 25 -11.793 -6.434 -6.540 1.00 0.00 C ATOM 408 C GLU A 25 -12.051 -7.865 -6.964 1.00 0.00 C ATOM 409 O GLU A 25 -12.918 -8.543 -6.422 1.00 0.00 O ATOM 410 CB GLU A 25 -12.699 -5.481 -7.320 1.00 0.00 C ATOM 411 CG GLU A 25 -12.535 -5.743 -8.819 1.00 0.00 C ATOM 412 CD GLU A 25 -13.436 -6.892 -9.256 1.00 0.00 C ATOM 413 OE1 GLU A 25 -14.634 -6.781 -9.059 1.00 0.00 O ATOM 414 OE2 GLU A 25 -12.915 -7.866 -9.771 1.00 0.00 O ATOM 0 H GLU A 25 -10.237 -5.472 -7.574 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.010 -6.333 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.738 -5.626 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.443 -4.447 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.783 -4.843 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.495 -5.982 -9.042 1.00 0.00 H new ATOM 421 N ALA A 26 -11.273 -8.338 -7.939 1.00 0.00 N ATOM 422 CA ALA A 26 -11.423 -9.707 -8.426 1.00 0.00 C ATOM 423 C ALA A 26 -10.985 -10.703 -7.358 1.00 0.00 C ATOM 424 O ALA A 26 -11.605 -11.751 -7.177 1.00 0.00 O ATOM 425 CB ALA A 26 -10.584 -9.907 -9.690 1.00 0.00 C ATOM 0 H ALA A 26 -10.541 -7.799 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.474 -9.879 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.701 -10.930 -10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.918 -9.213 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.534 -9.720 -9.463 1.00 0.00 H new ATOM 431 N ALA A 27 -9.914 -10.362 -6.644 1.00 0.00 N ATOM 432 CA ALA A 27 -9.400 -11.230 -5.587 1.00 0.00 C ATOM 433 C ALA A 27 -10.293 -11.157 -4.363 1.00 0.00 C ATOM 434 O ALA A 27 -10.120 -11.924 -3.417 1.00 0.00 O ATOM 435 CB ALA A 27 -7.984 -10.816 -5.205 1.00 0.00 C ATOM 0 H ALA A 27 -9.389 -9.498 -6.777 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.387 -12.254 -5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.614 -11.471 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.334 -10.894 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.990 -9.786 -4.848 1.00 0.00 H new ATOM 441 N ASP A 28 -11.260 -10.238 -4.389 1.00 0.00 N ATOM 442 CA ASP A 28 -12.187 -10.086 -3.271 1.00 0.00 C ATOM 443 C ASP A 28 -11.532 -9.328 -2.124 1.00 0.00 C ATOM 444 O ASP A 28 -11.694 -9.687 -0.958 1.00 0.00 O ATOM 445 CB ASP A 28 -12.660 -11.460 -2.778 1.00 0.00 C ATOM 446 CG ASP A 28 -12.772 -12.430 -3.952 1.00 0.00 C ATOM 447 OD1 ASP A 28 -12.072 -13.429 -3.938 1.00 0.00 O ATOM 448 OD2 ASP A 28 -13.539 -12.146 -4.858 1.00 0.00 O ATOM 0 H ASP A 28 -11.419 -9.595 -5.164 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.047 -9.516 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.960 -11.850 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.626 -11.364 -2.282 1.00 0.00 H new ATOM 453 N LEU A 29 -10.798 -8.272 -2.464 1.00 0.00 N ATOM 454 CA LEU A 29 -10.129 -7.461 -1.454 1.00 0.00 C ATOM 455 C LEU A 29 -10.888 -6.172 -1.195 1.00 0.00 C ATOM 456 O LEU A 29 -10.363 -5.226 -0.623 1.00 0.00 O ATOM 457 CB LEU A 29 -8.696 -7.138 -1.903 1.00 0.00 C ATOM 458 CG LEU A 29 -7.723 -8.131 -1.275 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.532 -7.819 0.205 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.263 -9.559 -1.436 1.00 0.00 C ATOM 0 H LEU A 29 -10.653 -7.960 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.099 -8.034 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.626 -7.184 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.433 -6.122 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.761 -8.048 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.835 -8.535 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.133 -6.811 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.491 -7.888 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.565 -10.265 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.231 -9.640 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.377 -9.787 -2.496 1.00 0.00 H new ATOM 472 N LYS A 30 -12.132 -6.150 -1.613 1.00 0.00 N ATOM 473 CA LYS A 30 -12.982 -4.977 -1.435 1.00 0.00 C ATOM 474 C LYS A 30 -13.903 -5.162 -0.233 1.00 0.00 C ATOM 475 O LYS A 30 -14.455 -4.198 0.297 1.00 0.00 O ATOM 476 CB LYS A 30 -13.825 -4.733 -2.692 1.00 0.00 C ATOM 477 CG LYS A 30 -14.258 -6.067 -3.318 1.00 0.00 C ATOM 478 CD LYS A 30 -15.614 -6.483 -2.752 1.00 0.00 C ATOM 479 CE LYS A 30 -15.731 -8.007 -2.785 1.00 0.00 C ATOM 480 NZ LYS A 30 -17.129 -8.401 -2.455 1.00 0.00 N ATOM 0 H LYS A 30 -12.588 -6.932 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.339 -4.114 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.705 -4.142 -2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.250 -4.155 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.320 -5.968 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.514 -6.836 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.720 -6.121 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.418 -6.033 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.458 -8.383 -3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.038 -8.452 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.117 -9.231 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.608 -7.612 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.639 -8.635 -3.330 1.00 0.00 H new ATOM 494 N GLU A 31 -14.077 -6.417 0.185 1.00 0.00 N ATOM 495 CA GLU A 31 -14.948 -6.720 1.320 1.00 0.00 C ATOM 496 C GLU A 31 -14.318 -6.254 2.630 1.00 0.00 C ATOM 497 O GLU A 31 -14.838 -5.376 3.303 1.00 0.00 O ATOM 498 CB GLU A 31 -15.203 -8.227 1.388 1.00 0.00 C ATOM 499 CG GLU A 31 -16.568 -8.548 0.774 1.00 0.00 C ATOM 500 CD GLU A 31 -17.659 -8.392 1.827 1.00 0.00 C ATOM 501 OE1 GLU A 31 -18.272 -7.339 1.864 1.00 0.00 O ATOM 502 OE2 GLU A 31 -17.867 -9.329 2.582 1.00 0.00 O ATOM 0 H GLU A 31 -13.632 -7.231 -0.240 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.890 -6.191 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.418 -8.763 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.171 -8.565 2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.764 -7.883 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.571 -9.565 0.383 1.00 0.00 H new ATOM 509 N LEU A 32 -13.183 -6.825 2.966 1.00 0.00 N ATOM 510 CA LEU A 32 -12.473 -6.441 4.180 1.00 0.00 C ATOM 511 C LEU A 32 -12.123 -4.957 4.143 1.00 0.00 C ATOM 512 O LEU A 32 -11.813 -4.354 5.171 1.00 0.00 O ATOM 513 CB LEU A 32 -11.204 -7.290 4.341 1.00 0.00 C ATOM 514 CG LEU A 32 -10.070 -6.722 3.476 1.00 0.00 C ATOM 515 CD1 LEU A 32 -8.761 -7.419 3.819 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.400 -6.944 1.998 1.00 0.00 C ATOM 0 H LEU A 32 -12.727 -7.557 2.421 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.122 -6.620 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.899 -7.306 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.409 -8.321 4.053 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.967 -5.654 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.960 -7.012 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.527 -7.257 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.857 -8.488 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.596 -6.542 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.506 -8.012 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.333 -6.437 1.754 1.00 0.00 H new ATOM 528 N LEU A 33 -12.090 -4.394 2.940 1.00 0.00 N ATOM 529 CA LEU A 33 -11.729 -2.990 2.777 1.00 0.00 C ATOM 530 C LEU A 33 -12.844 -2.092 3.267 1.00 0.00 C ATOM 531 O LEU A 33 -12.595 -1.062 3.896 1.00 0.00 O ATOM 532 CB LEU A 33 -11.437 -2.693 1.302 1.00 0.00 C ATOM 533 CG LEU A 33 -9.968 -2.315 1.115 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.688 -1.006 1.845 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.078 -3.420 1.684 1.00 0.00 C ATOM 0 H LEU A 33 -12.306 -4.882 2.071 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.836 -2.793 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.674 -3.566 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.075 -1.880 0.955 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.755 -2.193 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.641 -0.733 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.322 -0.219 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.901 -1.129 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.031 -3.149 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.287 -3.545 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.280 -4.355 1.162 1.00 0.00 H new ATOM 547 N THR A 34 -14.081 -2.482 2.975 1.00 0.00 N ATOM 548 CA THR A 34 -15.234 -1.691 3.393 1.00 0.00 C ATOM 549 C THR A 34 -15.562 -1.943 4.863 1.00 0.00 C ATOM 550 O THR A 34 -16.602 -1.507 5.357 1.00 0.00 O ATOM 551 CB THR A 34 -16.446 -2.046 2.523 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.576 -1.316 2.969 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.734 -3.542 2.615 1.00 0.00 C ATOM 0 H THR A 34 -14.310 -3.330 2.457 1.00 0.00 H new ATOM 0 HA THR A 34 -14.992 -0.635 3.271 1.00 0.00 H new ATOM 0 HB THR A 34 -16.231 -1.789 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.442 -1.042 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.596 -3.785 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.866 -4.102 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.946 -3.809 3.650 1.00 0.00 H new ATOM 561 N GLN A 35 -14.677 -2.670 5.543 1.00 0.00 N ATOM 562 CA GLN A 35 -14.891 -2.987 6.937 1.00 0.00 C ATOM 563 C GLN A 35 -14.144 -2.011 7.837 1.00 0.00 C ATOM 564 O GLN A 35 -12.905 -2.006 7.855 1.00 0.00 O ATOM 565 CB GLN A 35 -14.440 -4.416 7.237 1.00 0.00 C ATOM 566 CG GLN A 35 -15.663 -5.341 7.347 1.00 0.00 C ATOM 567 CD GLN A 35 -15.481 -6.546 6.442 1.00 0.00 C ATOM 568 OE1 GLN A 35 -16.093 -6.577 5.286 1.00 0.00 O flip ATOM 569 NE2 GLN A 35 -14.774 -7.486 6.791 1.00 0.00 N flip ATOM 0 H GLN A 35 -13.814 -3.044 5.147 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.959 -2.901 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.776 -4.770 6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.871 -4.439 8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.792 -5.666 8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.567 -4.799 7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.298 -7.459 7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.662 -8.295 6.179 1.00 0.00 H new ATOM 578 N PRO A 36 -14.852 -1.177 8.565 1.00 0.00 N ATOM 579 CA PRO A 36 -14.225 -0.175 9.467 1.00 0.00 C ATOM 580 C PRO A 36 -12.989 -0.712 10.186 1.00 0.00 C ATOM 581 O PRO A 36 -13.058 -1.718 10.893 1.00 0.00 O ATOM 582 CB PRO A 36 -15.343 0.134 10.455 1.00 0.00 C ATOM 583 CG PRO A 36 -16.607 -0.042 9.684 1.00 0.00 C ATOM 584 CD PRO A 36 -16.330 -1.100 8.630 1.00 0.00 C ATOM 0 HA PRO A 36 -13.858 0.696 8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.308 -0.539 11.312 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.256 1.149 10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.421 -0.352 10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.912 0.896 9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.766 -2.060 8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.756 -0.822 7.666 1.00 0.00 H new ATOM 592 N GLY A 37 -11.856 -0.026 10.013 1.00 0.00 N ATOM 593 CA GLY A 37 -10.622 -0.436 10.661 1.00 0.00 C ATOM 594 C GLY A 37 -9.578 0.672 10.593 1.00 0.00 C ATOM 595 O GLY A 37 -9.836 1.750 10.061 1.00 0.00 O ATOM 0 H GLY A 37 -11.774 0.809 9.433 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.820 -0.691 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.236 -1.335 10.181 1.00 0.00 H new ATOM 599 N ASP A 38 -8.398 0.399 11.128 1.00 0.00 N ATOM 600 CA ASP A 38 -7.312 1.384 11.103 1.00 0.00 C ATOM 601 C ASP A 38 -5.986 0.708 10.775 1.00 0.00 C ATOM 602 O ASP A 38 -5.419 -0.007 11.602 1.00 0.00 O ATOM 603 CB ASP A 38 -7.216 2.069 12.462 1.00 0.00 C ATOM 604 CG ASP A 38 -8.612 2.365 13.000 1.00 0.00 C ATOM 605 OD1 ASP A 38 -8.874 3.516 13.310 1.00 0.00 O ATOM 606 OD2 ASP A 38 -9.397 1.437 13.095 1.00 0.00 O ATOM 0 H ASP A 38 -8.163 -0.484 11.581 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.526 2.125 10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.676 1.431 13.162 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.649 2.995 12.372 1.00 0.00 H new ATOM 611 N TRP A 39 -5.485 0.969 9.569 1.00 0.00 N ATOM 612 CA TRP A 39 -4.223 0.399 9.128 1.00 0.00 C ATOM 613 C TRP A 39 -3.607 1.224 8.006 1.00 0.00 C ATOM 614 O TRP A 39 -4.244 2.145 7.494 1.00 0.00 O ATOM 615 CB TRP A 39 -4.395 -1.040 8.687 1.00 0.00 C ATOM 616 CG TRP A 39 -5.743 -1.537 9.083 1.00 0.00 C ATOM 617 CD1 TRP A 39 -6.822 -1.342 8.364 1.00 0.00 C ATOM 618 CD2 TRP A 39 -6.158 -2.260 10.269 1.00 0.00 C ATOM 619 NE1 TRP A 39 -7.932 -1.892 9.004 1.00 0.00 N ATOM 620 CE2 TRP A 39 -7.555 -2.485 10.191 1.00 0.00 C ATOM 621 CE3 TRP A 39 -5.471 -2.755 11.391 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -8.238 -3.165 11.198 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -6.155 -3.440 12.402 1.00 0.00 C ATOM 624 CH2 TRP A 39 -7.536 -3.650 12.305 1.00 0.00 C ATOM 0 H TRP A 39 -5.938 1.573 8.883 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.544 0.418 9.980 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.274 -1.115 7.606 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.622 -1.662 9.138 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.847 -0.830 7.414 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.886 -1.860 8.646 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.405 -2.605 11.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -9.305 -3.316 11.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -5.615 -3.809 13.261 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -8.058 -4.186 13.084 1.00 0.00 H new ATOM 635 N THR A 40 -2.376 0.883 7.617 1.00 0.00 N ATOM 636 CA THR A 40 -1.711 1.595 6.539 1.00 0.00 C ATOM 637 C THR A 40 -1.885 0.854 5.218 1.00 0.00 C ATOM 638 O THR A 40 -1.664 -0.364 5.143 1.00 0.00 O ATOM 639 CB THR A 40 -0.221 1.746 6.850 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.028 1.638 8.254 1.00 0.00 O ATOM 641 CG2 THR A 40 0.277 3.106 6.363 1.00 0.00 C ATOM 0 H THR A 40 -1.830 0.127 8.030 1.00 0.00 H new ATOM 0 HA THR A 40 -2.164 2.583 6.450 1.00 0.00 H new ATOM 0 HB THR A 40 0.340 0.963 6.340 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.925 1.732 8.461 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.339 3.206 6.588 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.125 3.185 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.277 3.898 6.867 1.00 0.00 H new ATOM 649 N LEU A 41 -2.290 1.596 4.186 1.00 0.00 N ATOM 650 CA LEU A 41 -2.492 0.998 2.893 1.00 0.00 C ATOM 651 C LEU A 41 -1.418 1.452 1.904 1.00 0.00 C ATOM 652 O LEU A 41 -1.364 2.620 1.534 1.00 0.00 O ATOM 653 CB LEU A 41 -3.894 1.362 2.355 1.00 0.00 C ATOM 654 CG LEU A 41 -4.113 0.750 0.956 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.428 1.612 -0.109 1.00 0.00 C ATOM 656 CD2 LEU A 41 -3.533 -0.667 0.915 1.00 0.00 C ATOM 0 H LEU A 41 -2.479 2.597 4.232 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.418 -0.084 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.659 0.998 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.000 2.446 2.305 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.183 0.712 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.589 1.171 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.848 2.617 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.359 1.662 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.690 -1.096 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.465 -0.629 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.031 -1.286 1.661 1.00 0.00 H new ATOM 668 N PHE A 42 -0.595 0.513 1.455 1.00 0.00 N ATOM 669 CA PHE A 42 0.451 0.823 0.489 1.00 0.00 C ATOM 670 C PHE A 42 -0.035 0.600 -0.942 1.00 0.00 C ATOM 671 O PHE A 42 -0.451 -0.497 -1.300 1.00 0.00 O ATOM 672 CB PHE A 42 1.672 -0.052 0.749 1.00 0.00 C ATOM 673 CG PHE A 42 2.578 0.629 1.743 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.181 0.756 3.081 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.812 1.137 1.328 1.00 0.00 C ATOM 676 CE1 PHE A 42 3.027 1.380 4.005 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.655 1.759 2.254 1.00 0.00 C ATOM 678 CZ PHE A 42 4.261 1.886 3.589 1.00 0.00 C ATOM 0 H PHE A 42 -0.631 -0.465 1.743 1.00 0.00 H new ATOM 0 HA PHE A 42 0.716 1.874 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.361 -1.024 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.208 -0.233 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.223 0.373 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.114 1.049 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.726 1.470 5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.613 2.142 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.911 2.376 4.299 1.00 0.00 H new ATOM 688 N VAL A 43 -0.002 1.658 -1.745 1.00 0.00 N ATOM 689 CA VAL A 43 -0.456 1.579 -3.113 1.00 0.00 C ATOM 690 C VAL A 43 0.567 2.221 -4.052 1.00 0.00 C ATOM 691 O VAL A 43 0.622 3.459 -4.177 1.00 0.00 O ATOM 692 CB VAL A 43 -1.807 2.262 -3.281 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.901 3.464 -2.357 1.00 0.00 C ATOM 694 CG2 VAL A 43 -1.998 2.708 -4.740 1.00 0.00 C ATOM 0 H VAL A 43 0.336 2.578 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.566 0.525 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.593 1.552 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.870 3.946 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.791 3.137 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.109 4.172 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.967 3.195 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.208 3.408 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.954 1.838 -5.395 1.00 0.00 H new ATOM 704 N PRO A 44 1.371 1.431 -4.720 1.00 0.00 N ATOM 705 CA PRO A 44 2.381 1.956 -5.679 1.00 0.00 C ATOM 706 C PRO A 44 1.737 2.463 -6.972 1.00 0.00 C ATOM 707 O PRO A 44 0.690 1.971 -7.388 1.00 0.00 O ATOM 708 CB PRO A 44 3.274 0.749 -5.949 1.00 0.00 C ATOM 709 CG PRO A 44 2.416 -0.435 -5.699 1.00 0.00 C ATOM 710 CD PRO A 44 1.448 -0.043 -4.604 1.00 0.00 C ATOM 0 HA PRO A 44 2.923 2.814 -5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.646 0.756 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.145 0.749 -5.294 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.881 -0.724 -6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.017 -1.292 -5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.472 -0.508 -4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.808 -0.350 -3.622 1.00 0.00 H new ATOM 718 N THR A 45 2.372 3.452 -7.600 1.00 0.00 N ATOM 719 CA THR A 45 1.847 4.015 -8.840 1.00 0.00 C ATOM 720 C THR A 45 2.425 3.289 -10.051 1.00 0.00 C ATOM 721 O THR A 45 3.256 2.393 -9.912 1.00 0.00 O ATOM 722 CB THR A 45 2.194 5.504 -8.921 1.00 0.00 C ATOM 723 OG1 THR A 45 3.542 5.697 -8.518 1.00 0.00 O ATOM 724 CG2 THR A 45 1.265 6.298 -8.001 1.00 0.00 C ATOM 0 H THR A 45 3.241 3.875 -7.274 1.00 0.00 H new ATOM 0 HA THR A 45 0.764 3.891 -8.843 1.00 0.00 H new ATOM 0 HB THR A 45 2.068 5.851 -9.947 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.766 6.650 -8.571 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.513 7.358 -8.060 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.231 6.150 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.388 5.953 -6.974 1.00 0.00 H new ATOM 732 N ASN A 46 1.985 3.689 -11.238 1.00 0.00 N ATOM 733 CA ASN A 46 2.470 3.071 -12.467 1.00 0.00 C ATOM 734 C ASN A 46 3.997 3.097 -12.513 1.00 0.00 C ATOM 735 O ASN A 46 4.634 2.151 -12.997 1.00 0.00 O ATOM 736 CB ASN A 46 1.907 3.812 -13.682 1.00 0.00 C ATOM 737 CG ASN A 46 2.690 5.100 -13.916 1.00 0.00 C ATOM 738 OD1 ASN A 46 3.718 5.088 -14.592 1.00 0.00 O ATOM 739 ND2 ASN A 46 2.262 6.217 -13.394 1.00 0.00 N ATOM 0 H ASN A 46 1.300 4.432 -11.376 1.00 0.00 H new ATOM 0 HA ASN A 46 2.135 2.034 -12.488 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.965 3.176 -14.565 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.853 4.041 -13.523 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.780 7.082 -13.546 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.410 6.225 -12.834 1.00 0.00 H new ATOM 746 N ASP A 47 4.577 4.185 -12.013 1.00 0.00 N ATOM 747 CA ASP A 47 6.028 4.327 -12.003 1.00 0.00 C ATOM 748 C ASP A 47 6.682 3.090 -11.396 1.00 0.00 C ATOM 749 O ASP A 47 7.867 2.835 -11.605 1.00 0.00 O ATOM 750 CB ASP A 47 6.428 5.566 -11.201 1.00 0.00 C ATOM 751 CG ASP A 47 5.893 6.822 -11.880 1.00 0.00 C ATOM 752 OD1 ASP A 47 4.786 6.770 -12.390 1.00 0.00 O ATOM 753 OD2 ASP A 47 6.599 7.817 -11.880 1.00 0.00 O ATOM 0 H ASP A 47 4.069 4.974 -11.613 1.00 0.00 H new ATOM 0 HA ASP A 47 6.371 4.437 -13.032 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.035 5.495 -10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.513 5.621 -11.119 1.00 0.00 H new ATOM 758 N ALA A 48 5.901 2.325 -10.642 1.00 0.00 N ATOM 759 CA ALA A 48 6.413 1.116 -10.009 1.00 0.00 C ATOM 760 C ALA A 48 6.240 -0.087 -10.933 1.00 0.00 C ATOM 761 O ALA A 48 6.978 -1.067 -10.838 1.00 0.00 O ATOM 762 CB ALA A 48 5.671 0.857 -8.702 1.00 0.00 C ATOM 0 H ALA A 48 4.917 2.519 -10.455 1.00 0.00 H new ATOM 0 HA ALA A 48 7.474 1.259 -9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.060 -0.048 -8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.814 1.702 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.608 0.732 -8.906 1.00 0.00 H new ATOM 768 N PHE A 49 5.257 -0.004 -11.824 1.00 0.00 N ATOM 769 CA PHE A 49 4.990 -1.096 -12.754 1.00 0.00 C ATOM 770 C PHE A 49 6.079 -1.176 -13.816 1.00 0.00 C ATOM 771 O PHE A 49 6.330 -2.243 -14.379 1.00 0.00 O ATOM 772 CB PHE A 49 3.631 -0.891 -13.427 1.00 0.00 C ATOM 773 CG PHE A 49 3.806 -0.887 -14.926 1.00 0.00 C ATOM 774 CD1 PHE A 49 3.770 0.321 -15.631 1.00 0.00 C ATOM 775 CD2 PHE A 49 3.995 -2.093 -15.611 1.00 0.00 C ATOM 776 CE1 PHE A 49 3.929 0.324 -17.022 1.00 0.00 C ATOM 777 CE2 PHE A 49 4.155 -2.089 -17.001 1.00 0.00 C ATOM 778 CZ PHE A 49 4.119 -0.881 -17.708 1.00 0.00 C ATOM 0 H PHE A 49 4.637 0.800 -11.922 1.00 0.00 H new ATOM 0 HA PHE A 49 4.979 -2.030 -12.192 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.944 -1.685 -13.133 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.190 0.050 -13.099 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.620 1.251 -15.102 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.017 -3.026 -15.067 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.905 1.257 -17.566 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.306 -3.019 -17.529 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.238 -0.879 -18.781 1.00 0.00 H new ATOM 788 N LYS A 50 6.717 -0.042 -14.082 1.00 0.00 N ATOM 789 CA LYS A 50 7.781 0.006 -15.081 1.00 0.00 C ATOM 790 C LYS A 50 8.824 -1.073 -14.805 1.00 0.00 C ATOM 791 O LYS A 50 9.581 -0.981 -13.838 1.00 0.00 O ATOM 792 CB LYS A 50 8.451 1.379 -15.065 1.00 0.00 C ATOM 793 CG LYS A 50 7.388 2.468 -15.220 1.00 0.00 C ATOM 794 CD LYS A 50 8.037 3.843 -15.058 1.00 0.00 C ATOM 795 CE LYS A 50 9.106 4.036 -16.139 1.00 0.00 C ATOM 796 NZ LYS A 50 10.405 3.491 -15.652 1.00 0.00 N ATOM 0 H LYS A 50 6.520 0.849 -13.626 1.00 0.00 H new ATOM 0 HA LYS A 50 7.340 -0.172 -16.062 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.996 1.518 -14.131 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.179 1.449 -15.873 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.914 2.391 -16.198 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.604 2.334 -14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.281 4.625 -15.136 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.486 3.931 -14.068 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.807 3.529 -17.056 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.210 5.094 -16.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.110 4.254 -15.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.279 3.092 -14.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.733 2.746 -16.299 1.00 0.00 H new ATOM 810 N GLY A 51 8.856 -2.092 -15.659 1.00 0.00 N ATOM 811 CA GLY A 51 9.811 -3.183 -15.499 1.00 0.00 C ATOM 812 C GLY A 51 9.105 -4.533 -15.522 1.00 0.00 C ATOM 813 O GLY A 51 9.600 -5.493 -16.113 1.00 0.00 O ATOM 0 H GLY A 51 8.236 -2.185 -16.464 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.552 -3.142 -16.297 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.349 -3.066 -14.558 1.00 0.00 H new ATOM 817 N MET A 52 7.947 -4.604 -14.873 1.00 0.00 N ATOM 818 CA MET A 52 7.186 -5.843 -14.825 1.00 0.00 C ATOM 819 C MET A 52 7.044 -6.443 -16.219 1.00 0.00 C ATOM 820 O MET A 52 6.463 -5.830 -17.113 1.00 0.00 O ATOM 821 CB MET A 52 5.797 -5.581 -14.235 1.00 0.00 C ATOM 822 CG MET A 52 5.661 -6.307 -12.895 1.00 0.00 C ATOM 823 SD MET A 52 6.782 -5.552 -11.689 1.00 0.00 S ATOM 824 CE MET A 52 5.529 -4.648 -10.743 1.00 0.00 C ATOM 0 H MET A 52 7.519 -3.822 -14.377 1.00 0.00 H new ATOM 0 HA MET A 52 7.722 -6.550 -14.193 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.646 -4.510 -14.097 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.027 -5.925 -14.926 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.632 -6.248 -12.539 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.897 -7.364 -13.016 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.019 -3.978 -10.037 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.908 -4.066 -11.424 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.904 -5.355 -10.198 1.00 0.00 H new ATOM 834 N THR A 53 7.577 -7.649 -16.395 1.00 0.00 N ATOM 835 CA THR A 53 7.502 -8.325 -17.686 1.00 0.00 C ATOM 836 C THR A 53 6.237 -9.172 -17.771 1.00 0.00 C ATOM 837 O THR A 53 5.740 -9.660 -16.757 1.00 0.00 O ATOM 838 CB THR A 53 8.730 -9.215 -17.881 1.00 0.00 C ATOM 839 OG1 THR A 53 8.549 -10.431 -17.168 1.00 0.00 O ATOM 840 CG2 THR A 53 9.972 -8.494 -17.360 1.00 0.00 C ATOM 0 H THR A 53 8.061 -8.174 -15.667 1.00 0.00 H new ATOM 0 HA THR A 53 7.474 -7.570 -18.472 1.00 0.00 H new ATOM 0 HB THR A 53 8.858 -9.432 -18.941 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.334 -11.004 -17.293 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.847 -9.129 -17.499 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.109 -7.562 -17.909 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.848 -8.275 -16.299 1.00 0.00 H new ATOM 848 N SER A 54 5.722 -9.334 -18.985 1.00 0.00 N ATOM 849 CA SER A 54 4.509 -10.119 -19.194 1.00 0.00 C ATOM 850 C SER A 54 4.647 -11.498 -18.559 1.00 0.00 C ATOM 851 O SER A 54 3.651 -12.152 -18.253 1.00 0.00 O ATOM 852 CB SER A 54 4.235 -10.268 -20.690 1.00 0.00 C ATOM 853 OG SER A 54 5.461 -10.500 -21.371 1.00 0.00 O ATOM 0 H SER A 54 6.122 -8.936 -19.835 1.00 0.00 H new ATOM 0 HA SER A 54 3.676 -9.598 -18.723 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.546 -11.095 -20.865 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.756 -9.368 -21.075 1.00 0.00 H new ATOM 0 HG SER A 54 5.289 -10.598 -22.331 1.00 0.00 H new ATOM 859 N GLU A 55 5.887 -11.932 -18.362 1.00 0.00 N ATOM 860 CA GLU A 55 6.144 -13.235 -17.762 1.00 0.00 C ATOM 861 C GLU A 55 6.051 -13.152 -16.243 1.00 0.00 C ATOM 862 O GLU A 55 5.573 -14.076 -15.586 1.00 0.00 O ATOM 863 CB GLU A 55 7.534 -13.729 -18.164 1.00 0.00 C ATOM 864 CG GLU A 55 7.494 -15.243 -18.385 1.00 0.00 C ATOM 865 CD GLU A 55 8.905 -15.817 -18.326 1.00 0.00 C ATOM 866 OE1 GLU A 55 9.618 -15.486 -17.394 1.00 0.00 O ATOM 867 OE2 GLU A 55 9.251 -16.580 -19.213 1.00 0.00 O ATOM 0 H GLU A 55 6.725 -11.404 -18.607 1.00 0.00 H new ATOM 0 HA GLU A 55 5.391 -13.936 -18.123 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.861 -13.226 -19.074 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.258 -13.483 -17.387 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.869 -15.713 -17.625 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.042 -15.466 -19.352 1.00 0.00 H new ATOM 874 N GLU A 56 6.506 -12.035 -15.687 1.00 0.00 N ATOM 875 CA GLU A 56 6.468 -11.841 -14.242 1.00 0.00 C ATOM 876 C GLU A 56 5.027 -11.835 -13.742 1.00 0.00 C ATOM 877 O GLU A 56 4.634 -12.688 -12.951 1.00 0.00 O ATOM 878 CB GLU A 56 7.144 -10.519 -13.873 1.00 0.00 C ATOM 879 CG GLU A 56 8.661 -10.665 -14.015 1.00 0.00 C ATOM 880 CD GLU A 56 9.296 -10.867 -12.643 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.895 -9.928 -12.146 1.00 0.00 O ATOM 882 OE2 GLU A 56 9.174 -11.959 -12.111 1.00 0.00 O ATOM 0 H GLU A 56 6.903 -11.255 -16.210 1.00 0.00 H new ATOM 0 HA GLU A 56 7.003 -12.665 -13.769 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.783 -9.720 -14.521 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.889 -10.241 -12.851 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.894 -11.511 -14.661 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.077 -9.777 -14.490 1.00 0.00 H new ATOM 889 N LYS A 57 4.246 -10.866 -14.212 1.00 0.00 N ATOM 890 CA LYS A 57 2.852 -10.758 -13.803 1.00 0.00 C ATOM 891 C LYS A 57 2.126 -12.083 -14.014 1.00 0.00 C ATOM 892 O LYS A 57 1.175 -12.398 -13.299 1.00 0.00 O ATOM 893 CB LYS A 57 2.158 -9.656 -14.602 1.00 0.00 C ATOM 894 CG LYS A 57 2.420 -9.864 -16.096 1.00 0.00 C ATOM 895 CD LYS A 57 1.378 -9.099 -16.916 1.00 0.00 C ATOM 896 CE LYS A 57 1.637 -7.597 -16.801 1.00 0.00 C ATOM 897 NZ LYS A 57 3.045 -7.304 -17.191 1.00 0.00 N ATOM 0 H LYS A 57 4.553 -10.151 -14.871 1.00 0.00 H new ATOM 0 HA LYS A 57 2.822 -10.509 -12.742 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.086 -9.670 -14.405 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.527 -8.679 -14.290 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.422 -9.518 -16.351 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.378 -10.926 -16.338 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.425 -9.407 -17.960 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.375 -9.334 -16.559 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.949 -7.048 -17.444 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.454 -7.263 -15.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.157 -6.281 -17.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.687 -7.614 -16.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.275 -7.812 -18.069 1.00 0.00 H new ATOM 911 N GLU A 58 2.583 -12.855 -15.000 1.00 0.00 N ATOM 912 CA GLU A 58 1.972 -14.139 -15.299 1.00 0.00 C ATOM 913 C GLU A 58 2.351 -15.165 -14.235 1.00 0.00 C ATOM 914 O GLU A 58 1.595 -16.088 -13.949 1.00 0.00 O ATOM 915 CB GLU A 58 2.427 -14.627 -16.675 1.00 0.00 C ATOM 916 CG GLU A 58 2.152 -16.125 -16.798 1.00 0.00 C ATOM 917 CD GLU A 58 2.100 -16.527 -18.269 1.00 0.00 C ATOM 918 OE1 GLU A 58 2.657 -15.805 -19.079 1.00 0.00 O ATOM 919 OE2 GLU A 58 1.502 -17.549 -18.564 1.00 0.00 O ATOM 0 H GLU A 58 3.371 -12.610 -15.600 1.00 0.00 H new ATOM 0 HA GLU A 58 0.889 -14.018 -15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.899 -14.084 -17.459 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.490 -14.429 -16.810 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.931 -16.689 -16.286 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.208 -16.371 -16.312 1.00 0.00 H new ATOM 926 N ILE A 59 3.527 -14.991 -13.645 1.00 0.00 N ATOM 927 CA ILE A 59 3.993 -15.906 -12.609 1.00 0.00 C ATOM 928 C ILE A 59 3.234 -15.671 -11.309 1.00 0.00 C ATOM 929 O ILE A 59 3.062 -16.585 -10.502 1.00 0.00 O ATOM 930 CB ILE A 59 5.490 -15.708 -12.372 1.00 0.00 C ATOM 931 CG1 ILE A 59 6.274 -16.325 -13.531 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.895 -16.389 -11.063 1.00 0.00 C ATOM 933 CD1 ILE A 59 7.635 -15.636 -13.655 1.00 0.00 C ATOM 0 H ILE A 59 4.172 -14.231 -13.863 1.00 0.00 H new ATOM 0 HA ILE A 59 3.812 -16.928 -12.943 1.00 0.00 H new ATOM 0 HB ILE A 59 5.710 -14.642 -12.309 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.410 -17.393 -13.363 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.714 -16.217 -14.460 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.963 -16.248 -10.894 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.336 -15.950 -10.237 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.675 -17.455 -11.124 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.192 -16.077 -14.481 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.489 -14.572 -13.843 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.195 -15.767 -12.729 1.00 0.00 H new ATOM 945 N LEU A 60 2.783 -14.439 -11.109 1.00 0.00 N ATOM 946 CA LEU A 60 2.042 -14.095 -9.897 1.00 0.00 C ATOM 947 C LEU A 60 0.630 -14.673 -9.944 1.00 0.00 C ATOM 948 O LEU A 60 0.188 -15.332 -8.997 1.00 0.00 O ATOM 949 CB LEU A 60 1.963 -12.574 -9.745 1.00 0.00 C ATOM 950 CG LEU A 60 3.323 -11.955 -10.062 1.00 0.00 C ATOM 951 CD1 LEU A 60 3.330 -10.484 -9.650 1.00 0.00 C ATOM 952 CD2 LEU A 60 4.416 -12.704 -9.296 1.00 0.00 C ATOM 0 H LEU A 60 2.914 -13.666 -11.762 1.00 0.00 H new ATOM 0 HA LEU A 60 2.569 -14.521 -9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.204 -12.171 -10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.662 -12.315 -8.730 1.00 0.00 H new ATOM 0 HG LEU A 60 3.511 -12.030 -11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.302 -10.047 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.554 -9.949 -10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.139 -10.405 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.387 -12.262 -9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.225 -12.631 -8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.416 -13.752 -9.594 1.00 0.00 H new ATOM 964 N ILE A 61 -0.074 -14.409 -11.045 1.00 0.00 N ATOM 965 CA ILE A 61 -1.438 -14.896 -11.203 1.00 0.00 C ATOM 966 C ILE A 61 -1.461 -16.418 -11.296 1.00 0.00 C ATOM 967 O ILE A 61 -2.461 -17.053 -10.959 1.00 0.00 O ATOM 968 CB ILE A 61 -2.072 -14.285 -12.454 1.00 0.00 C ATOM 969 CG1 ILE A 61 -1.371 -14.832 -13.692 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.921 -12.762 -12.413 1.00 0.00 C ATOM 971 CD1 ILE A 61 -2.235 -15.913 -14.343 1.00 0.00 C ATOM 0 H ILE A 61 0.277 -13.865 -11.833 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.014 -14.596 -10.328 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.131 -14.542 -12.489 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.185 -14.026 -14.402 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.400 -15.246 -13.418 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.373 -12.327 -13.305 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.419 -12.371 -11.526 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.863 -12.502 -12.379 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.729 -16.300 -15.227 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.398 -16.725 -13.634 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.195 -15.486 -14.633 1.00 0.00 H new ATOM 983 N ARG A 62 -0.352 -16.993 -11.744 1.00 0.00 N ATOM 984 CA ARG A 62 -0.258 -18.442 -11.873 1.00 0.00 C ATOM 985 C ARG A 62 -0.486 -19.105 -10.521 1.00 0.00 C ATOM 986 O ARG A 62 -1.042 -20.201 -10.446 1.00 0.00 O ATOM 987 CB ARG A 62 1.131 -18.824 -12.398 1.00 0.00 C ATOM 988 CG ARG A 62 1.147 -18.729 -13.923 1.00 0.00 C ATOM 989 CD ARG A 62 0.958 -20.121 -14.523 1.00 0.00 C ATOM 990 NE ARG A 62 -0.085 -20.844 -13.807 1.00 0.00 N ATOM 991 CZ ARG A 62 -0.598 -21.970 -14.293 1.00 0.00 C ATOM 992 NH1 ARG A 62 -0.163 -22.450 -15.426 1.00 0.00 N ATOM 993 NH2 ARG A 62 -1.539 -22.595 -13.639 1.00 0.00 N ATOM 0 H ARG A 62 0.487 -16.484 -12.022 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.021 -18.783 -12.572 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.886 -18.161 -11.974 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.384 -19.837 -12.084 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.354 -18.064 -14.265 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.091 -18.301 -14.261 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.693 -20.037 -15.577 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.895 -20.676 -14.473 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.427 -20.480 -12.918 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.571 -21.961 -15.939 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.557 -23.314 -15.799 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.881 -22.219 -12.755 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.932 -23.459 -14.012 1.00 0.00 H new ATOM 1007 N ASP A 63 -0.077 -18.423 -9.455 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.259 -18.948 -8.101 1.00 0.00 C ATOM 1009 C ASP A 63 -1.188 -18.041 -7.302 1.00 0.00 C ATOM 1010 O ASP A 63 -0.934 -16.844 -7.161 1.00 0.00 O ATOM 1011 CB ASP A 63 1.088 -19.059 -7.390 1.00 0.00 C ATOM 1012 CG ASP A 63 1.616 -20.484 -7.500 1.00 0.00 C ATOM 1013 OD1 ASP A 63 2.279 -20.775 -8.483 1.00 0.00 O ATOM 1014 OD2 ASP A 63 1.348 -21.264 -6.601 1.00 0.00 O ATOM 0 H ASP A 63 0.380 -17.512 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.706 -19.940 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.801 -18.363 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.980 -18.782 -6.341 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.274 -18.614 -6.794 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.230 -17.844 -6.028 1.00 0.00 C ATOM 1021 C LYS A 64 -2.557 -17.201 -4.826 1.00 0.00 C ATOM 1022 O LYS A 64 -2.898 -16.098 -4.448 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.385 -18.746 -5.561 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.182 -18.059 -4.440 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.886 -16.817 -5.000 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.396 -17.019 -4.929 1.00 0.00 C ATOM 1027 NZ LYS A 64 -7.822 -17.061 -3.504 1.00 0.00 N ATOM 0 H LYS A 64 -2.508 -19.601 -6.901 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.629 -17.057 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.044 -18.968 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.991 -19.698 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.916 -18.750 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.515 -17.776 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.598 -15.934 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.579 -16.645 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.907 -16.209 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.674 -17.946 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.815 -16.760 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.726 -18.031 -3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.223 -16.421 -2.944 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.638 -17.920 -4.207 1.00 0.00 N ATOM 1042 CA ASN A 65 -0.949 -17.415 -3.028 1.00 0.00 C ATOM 1043 C ASN A 65 0.055 -16.341 -3.420 1.00 0.00 C ATOM 1044 O ASN A 65 0.336 -15.422 -2.645 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.226 -18.562 -2.317 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.157 -19.227 -1.309 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -0.741 -19.547 -0.194 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -2.399 -19.456 -1.635 1.00 0.00 N ATOM 0 H ASN A 65 -1.350 -18.854 -4.499 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.686 -16.979 -2.354 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.114 -19.296 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.661 -18.183 -1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.028 -19.901 -0.966 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.741 -19.190 -2.558 1.00 0.00 H new ATOM 1055 N ALA A 66 0.598 -16.463 -4.628 1.00 0.00 N ATOM 1056 CA ALA A 66 1.580 -15.498 -5.105 1.00 0.00 C ATOM 1057 C ALA A 66 0.934 -14.136 -5.364 1.00 0.00 C ATOM 1058 O ALA A 66 1.281 -13.124 -4.737 1.00 0.00 O ATOM 1059 CB ALA A 66 2.215 -16.008 -6.405 1.00 0.00 C ATOM 0 H ALA A 66 0.378 -17.211 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 66 2.342 -15.382 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.949 -15.284 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.707 -16.963 -6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.441 -16.140 -7.161 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.023 -14.110 -6.282 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.699 -12.866 -6.602 1.00 0.00 C ATOM 1067 C LEU A 67 -1.341 -12.287 -5.345 1.00 0.00 C ATOM 1068 O LEU A 67 -1.473 -11.076 -5.215 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.751 -13.109 -7.697 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.164 -13.049 -7.107 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.184 -12.923 -8.218 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.426 -14.321 -6.300 1.00 0.00 C ATOM 0 H LEU A 67 -0.343 -14.923 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 67 0.026 -12.145 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.646 -12.360 -8.482 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.585 -14.082 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.249 -12.180 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.185 -12.881 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.994 -12.012 -8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.109 -13.785 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.430 -14.284 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.339 -15.190 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.696 -14.397 -5.494 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.815 -13.166 -4.467 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.503 -12.726 -3.267 1.00 0.00 C ATOM 1086 C GLN A 68 -1.555 -11.918 -2.393 1.00 0.00 C ATOM 1087 O GLN A 68 -1.858 -10.790 -1.985 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.027 -13.929 -2.486 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.547 -14.061 -2.679 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.273 -13.033 -1.827 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.301 -11.782 -2.218 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -5.819 -13.367 -0.782 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.734 -14.178 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.346 -12.099 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.529 -14.838 -2.825 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.795 -13.814 -1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.802 -13.919 -3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.870 -15.065 -2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.794 -14.342 -0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.298 -12.670 -0.212 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.394 -12.508 -2.108 1.00 0.00 N ATOM 1102 CA ASN A 69 0.601 -11.838 -1.283 1.00 0.00 C ATOM 1103 C ASN A 69 0.903 -10.453 -1.836 1.00 0.00 C ATOM 1104 O ASN A 69 1.051 -9.487 -1.084 1.00 0.00 O ATOM 1105 CB ASN A 69 1.885 -12.668 -1.233 1.00 0.00 C ATOM 1106 CG ASN A 69 2.805 -12.288 -2.383 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.374 -11.119 -2.391 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 3.021 -13.079 -3.295 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.125 -13.437 -2.433 1.00 0.00 H new ATOM 0 HA ASN A 69 0.202 -11.734 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.394 -12.506 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.642 -13.729 -1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.576 -13.997 -3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.646 -12.819 -4.058 1.00 0.00 H new ATOM 1115 N ILE A 70 0.994 -10.363 -3.162 1.00 0.00 N ATOM 1116 CA ILE A 70 1.270 -9.080 -3.803 1.00 0.00 C ATOM 1117 C ILE A 70 0.036 -8.197 -3.792 1.00 0.00 C ATOM 1118 O ILE A 70 0.123 -6.990 -3.560 1.00 0.00 O ATOM 1119 CB ILE A 70 1.725 -9.306 -5.250 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.127 -9.924 -5.262 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.741 -7.972 -5.998 1.00 0.00 C ATOM 1122 CD1 ILE A 70 4.129 -8.969 -4.590 1.00 0.00 C ATOM 0 H ILE A 70 0.883 -11.148 -3.803 1.00 0.00 H new ATOM 0 HA ILE A 70 2.062 -8.582 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 70 1.031 -9.986 -5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.116 -10.880 -4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.436 -10.125 -6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.065 -8.135 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.739 -7.542 -5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.430 -7.287 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.123 -9.416 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.150 -8.023 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.825 -8.790 -3.559 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.116 -8.799 -4.045 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.369 -8.054 -4.062 1.00 0.00 C ATOM 1136 C ILE A 71 -2.461 -7.127 -2.859 1.00 0.00 C ATOM 1137 O ILE A 71 -2.620 -5.913 -3.008 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.557 -9.015 -4.048 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -3.865 -9.471 -5.477 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -4.778 -8.322 -3.455 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -4.832 -8.493 -6.135 1.00 0.00 C ATOM 0 H ILE A 71 -1.211 -9.796 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.393 -7.458 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.309 -9.883 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.943 -9.530 -6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.298 -10.471 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.621 -9.013 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.558 -8.008 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.029 -7.449 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.047 -8.823 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.758 -8.456 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.383 -7.500 -6.163 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.367 -7.703 -1.660 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.451 -6.908 -0.439 1.00 0.00 C ATOM 1155 C LEU A 72 -1.455 -5.754 -0.476 1.00 0.00 C ATOM 1156 O LEU A 72 -1.424 -4.921 0.431 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.160 -7.796 0.774 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.129 -8.979 0.787 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.355 -10.267 1.050 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.172 -8.772 1.890 1.00 0.00 C ATOM 0 H LEU A 72 -2.235 -8.703 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.458 -6.497 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.132 -8.155 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.262 -7.219 1.693 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.631 -9.049 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.045 -11.111 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.614 -10.413 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.852 -10.199 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.863 -9.615 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.671 -8.702 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.725 -7.852 1.700 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.637 -5.717 -1.525 1.00 0.00 N ATOM 1173 CA TYR A 73 0.358 -4.666 -1.662 1.00 0.00 C ATOM 1174 C TYR A 73 1.042 -4.402 -0.329 1.00 0.00 C ATOM 1175 O TYR A 73 1.306 -3.253 0.025 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.296 -3.380 -2.162 1.00 0.00 C ATOM 1177 CG TYR A 73 -0.575 -3.495 -3.641 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -1.895 -3.557 -4.101 1.00 0.00 C ATOM 1179 CD2 TYR A 73 0.488 -3.533 -4.549 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -2.152 -3.657 -5.472 1.00 0.00 C ATOM 1181 CE2 TYR A 73 0.230 -3.636 -5.923 1.00 0.00 C ATOM 1182 CZ TYR A 73 -1.090 -3.697 -6.384 1.00 0.00 C ATOM 1183 OH TYR A 73 -1.346 -3.795 -7.736 1.00 0.00 O ATOM 0 H TYR A 73 -0.646 -6.398 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 73 1.104 -4.995 -2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.224 -3.197 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.358 -2.529 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.714 -3.528 -3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.506 -3.483 -4.192 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.171 -3.703 -5.828 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.050 -3.668 -6.626 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.383 -2.898 -8.128 1.00 0.00 H new ATOM 1193 N HIS A 74 1.319 -5.473 0.411 1.00 0.00 N ATOM 1194 CA HIS A 74 1.975 -5.344 1.708 1.00 0.00 C ATOM 1195 C HIS A 74 1.134 -4.497 2.656 1.00 0.00 C ATOM 1196 O HIS A 74 1.629 -3.538 3.249 1.00 0.00 O ATOM 1197 CB HIS A 74 3.361 -4.712 1.539 1.00 0.00 C ATOM 1198 CG HIS A 74 4.285 -5.703 0.892 1.00 0.00 C ATOM 1199 ND1 HIS A 74 4.014 -6.274 -0.342 1.00 0.00 N ATOM 1200 CD2 HIS A 74 5.483 -6.238 1.296 1.00 0.00 C ATOM 1201 CE1 HIS A 74 5.025 -7.112 -0.633 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.948 -7.128 0.333 1.00 0.00 N ATOM 0 H HIS A 74 1.101 -6.431 0.137 1.00 0.00 H new ATOM 0 HA HIS A 74 2.085 -6.341 2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.290 -3.812 0.929 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.756 -4.409 2.509 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.988 -6.003 2.221 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.084 -7.700 -1.537 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.808 -7.675 0.359 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.135 -4.869 2.808 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.021 -4.138 3.707 1.00 0.00 C ATOM 1213 C LEU A 75 -0.521 -4.272 5.140 1.00 0.00 C ATOM 1214 O LEU A 75 -0.425 -5.379 5.673 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.448 -4.693 3.586 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.254 -4.337 4.842 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -3.241 -2.820 5.036 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -4.689 -4.819 4.676 1.00 0.00 C ATOM 0 H LEU A 75 -0.566 -5.659 2.329 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.028 -3.083 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.934 -4.281 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.417 -5.775 3.457 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.810 -4.819 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.813 -2.562 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.213 -2.477 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.688 -2.338 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.263 -4.567 5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.137 -4.336 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.696 -5.900 4.534 1.00 0.00 H new ATOM 1230 N THR A 76 -0.260 -3.136 5.773 1.00 0.00 N ATOM 1231 CA THR A 76 0.190 -3.139 7.146 1.00 0.00 C ATOM 1232 C THR A 76 -0.970 -2.869 8.116 1.00 0.00 C ATOM 1233 O THR A 76 -1.667 -1.853 7.966 1.00 0.00 O ATOM 1234 CB THR A 76 1.286 -2.093 7.339 1.00 0.00 C ATOM 1235 OG1 THR A 76 2.554 -2.736 7.332 1.00 0.00 O ATOM 1236 CG2 THR A 76 1.100 -1.358 8.670 1.00 0.00 C ATOM 0 H THR A 76 -0.353 -2.210 5.356 1.00 0.00 H new ATOM 0 HA THR A 76 0.590 -4.129 7.367 1.00 0.00 H new ATOM 0 HB THR A 76 1.228 -1.369 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.043 -2.487 6.520 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.890 -0.617 8.790 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.131 -0.860 8.678 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.147 -2.074 9.491 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.150 -3.697 9.128 1.00 0.00 N ATOM 1245 CA PRO A 77 -2.217 -3.492 10.138 1.00 0.00 C ATOM 1246 C PRO A 77 -1.798 -2.466 11.202 1.00 0.00 C ATOM 1247 O PRO A 77 -0.865 -2.705 11.969 1.00 0.00 O ATOM 1248 CB PRO A 77 -2.388 -4.871 10.748 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.052 -5.521 10.635 1.00 0.00 C ATOM 1250 CD PRO A 77 -0.381 -4.931 9.408 1.00 0.00 C ATOM 0 HA PRO A 77 -3.136 -3.096 9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.706 -4.804 11.789 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.150 -5.443 10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.455 -5.337 11.528 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.155 -6.602 10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.670 -4.711 9.597 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.416 -5.621 8.565 1.00 0.00 H new ATOM 1258 N GLY A 78 -2.513 -1.338 11.248 1.00 0.00 N ATOM 1259 CA GLY A 78 -2.216 -0.304 12.238 1.00 0.00 C ATOM 1260 C GLY A 78 -1.653 0.945 11.574 1.00 0.00 C ATOM 1261 O GLY A 78 -0.527 0.946 11.083 1.00 0.00 O ATOM 0 H GLY A 78 -3.288 -1.121 10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.123 -0.050 12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.500 -0.687 12.965 1.00 0.00 H new ATOM 1265 N VAL A 79 -2.456 2.003 11.549 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.034 3.257 10.935 1.00 0.00 C ATOM 1267 C VAL A 79 -0.685 3.696 11.497 1.00 0.00 C ATOM 1268 O VAL A 79 -0.405 3.504 12.681 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.074 4.346 11.196 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.409 3.939 10.574 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.251 4.530 12.705 1.00 0.00 C ATOM 0 H VAL A 79 -3.396 2.018 11.944 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.938 3.100 9.861 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.737 5.282 10.751 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.150 4.717 10.761 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.285 3.807 9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.747 3.002 11.018 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.993 5.307 12.892 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.587 3.593 13.149 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.300 4.822 13.150 1.00 0.00 H new ATOM 1281 N PHE A 80 0.144 4.285 10.642 1.00 0.00 N ATOM 1282 CA PHE A 80 1.457 4.757 11.063 1.00 0.00 C ATOM 1283 C PHE A 80 1.415 6.248 11.375 1.00 0.00 C ATOM 1284 O PHE A 80 0.923 7.040 10.570 1.00 0.00 O ATOM 1285 CB PHE A 80 2.490 4.484 9.971 1.00 0.00 C ATOM 1286 CG PHE A 80 3.106 5.788 9.527 1.00 0.00 C ATOM 1287 CD1 PHE A 80 2.532 6.510 8.475 1.00 0.00 C ATOM 1288 CD2 PHE A 80 4.245 6.280 10.176 1.00 0.00 C ATOM 1289 CE1 PHE A 80 3.100 7.724 8.068 1.00 0.00 C ATOM 1290 CE2 PHE A 80 4.814 7.493 9.768 1.00 0.00 C ATOM 1291 CZ PHE A 80 4.238 8.217 8.717 1.00 0.00 C ATOM 0 H PHE A 80 -0.069 4.446 9.658 1.00 0.00 H new ATOM 0 HA PHE A 80 1.742 4.219 11.967 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.263 3.813 10.346 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.018 3.985 9.125 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.652 6.132 7.977 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.685 5.724 10.991 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.660 8.280 7.253 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.696 7.870 10.264 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.672 9.156 8.407 1.00 0.00 H new ATOM 1301 N ILE A 81 1.935 6.625 12.539 1.00 0.00 N ATOM 1302 CA ILE A 81 1.952 8.029 12.942 1.00 0.00 C ATOM 1303 C ILE A 81 3.386 8.518 13.119 1.00 0.00 C ATOM 1304 O ILE A 81 4.215 7.837 13.721 1.00 0.00 O ATOM 1305 CB ILE A 81 1.186 8.203 14.251 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.112 7.117 14.360 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.519 9.580 14.274 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.889 7.494 15.454 1.00 0.00 C ATOM 0 H ILE A 81 2.348 5.984 13.216 1.00 0.00 H new ATOM 0 HA ILE A 81 1.474 8.619 12.160 1.00 0.00 H new ATOM 0 HB ILE A 81 1.877 8.120 15.090 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.402 7.003 13.406 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.573 6.157 14.590 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.028 9.704 15.209 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.281 10.355 14.194 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.172 9.663 13.435 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.653 6.720 15.531 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.369 7.586 16.407 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.360 8.445 15.205 1.00 0.00 H new ATOM 1320 N GLY A 82 3.670 9.705 12.592 1.00 0.00 N ATOM 1321 CA GLY A 82 5.006 10.276 12.699 1.00 0.00 C ATOM 1322 C GLY A 82 5.286 10.749 14.121 1.00 0.00 C ATOM 1323 O GLY A 82 6.442 10.845 14.537 1.00 0.00 O ATOM 0 H GLY A 82 2.998 10.286 12.090 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.748 9.533 12.407 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.104 11.113 12.008 1.00 0.00 H new ATOM 1327 N LYS A 83 4.223 11.047 14.861 1.00 0.00 N ATOM 1328 CA LYS A 83 4.367 11.514 16.235 1.00 0.00 C ATOM 1329 C LYS A 83 4.578 10.337 17.183 1.00 0.00 C ATOM 1330 O LYS A 83 5.325 10.439 18.156 1.00 0.00 O ATOM 1331 CB LYS A 83 3.121 12.294 16.654 1.00 0.00 C ATOM 1332 CG LYS A 83 3.044 13.601 15.861 1.00 0.00 C ATOM 1333 CD LYS A 83 1.907 14.466 16.408 1.00 0.00 C ATOM 1334 CE LYS A 83 1.625 15.615 15.439 1.00 0.00 C ATOM 1335 NZ LYS A 83 0.425 16.369 15.898 1.00 0.00 N ATOM 0 H LYS A 83 3.259 10.974 14.535 1.00 0.00 H new ATOM 0 HA LYS A 83 5.238 12.167 16.288 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.228 11.695 16.476 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.155 12.506 17.723 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.990 14.138 15.933 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.877 13.388 14.805 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.010 13.862 16.543 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.176 14.861 17.388 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.487 16.280 15.386 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.461 15.225 14.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.233 17.150 15.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.396 15.731 15.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.599 16.753 16.849 1.00 0.00 H new ATOM 1349 N GLY A 84 3.917 9.222 16.889 1.00 0.00 N ATOM 1350 CA GLY A 84 4.041 8.032 17.721 1.00 0.00 C ATOM 1351 C GLY A 84 5.408 7.380 17.536 1.00 0.00 C ATOM 1352 O GLY A 84 5.987 6.850 18.484 1.00 0.00 O ATOM 0 H GLY A 84 3.295 9.118 16.087 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.899 8.299 18.768 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.256 7.320 17.465 1.00 0.00 H new ATOM 1356 N PHE A 85 5.919 7.427 16.309 1.00 0.00 N ATOM 1357 CA PHE A 85 7.220 6.840 16.010 1.00 0.00 C ATOM 1358 C PHE A 85 8.287 7.925 15.921 1.00 0.00 C ATOM 1359 O PHE A 85 7.973 9.113 15.837 1.00 0.00 O ATOM 1360 CB PHE A 85 7.158 6.073 14.689 1.00 0.00 C ATOM 1361 CG PHE A 85 6.398 4.785 14.894 1.00 0.00 C ATOM 1362 CD1 PHE A 85 5.103 4.648 14.380 1.00 0.00 C ATOM 1363 CD2 PHE A 85 6.987 3.728 15.597 1.00 0.00 C ATOM 1364 CE1 PHE A 85 4.398 3.453 14.569 1.00 0.00 C ATOM 1365 CE2 PHE A 85 6.283 2.534 15.786 1.00 0.00 C ATOM 1366 CZ PHE A 85 4.988 2.395 15.272 1.00 0.00 C ATOM 0 H PHE A 85 5.456 7.862 15.511 1.00 0.00 H new ATOM 0 HA PHE A 85 7.481 6.153 16.815 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.670 6.679 13.926 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.165 5.861 14.331 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.648 5.464 13.838 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.986 3.834 15.994 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.399 3.347 14.173 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.739 1.719 16.329 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.445 1.473 15.417 1.00 0.00 H new ATOM 1376 N GLU A 86 9.552 7.507 15.949 1.00 0.00 N ATOM 1377 CA GLU A 86 10.648 8.452 15.884 1.00 0.00 C ATOM 1378 C GLU A 86 11.169 8.587 14.449 1.00 0.00 C ATOM 1379 O GLU A 86 11.555 7.577 13.835 1.00 0.00 O ATOM 1380 CB GLU A 86 11.787 8.012 16.801 1.00 0.00 C ATOM 1381 CG GLU A 86 13.102 8.659 16.351 1.00 0.00 C ATOM 1382 CD GLU A 86 14.117 8.622 17.487 1.00 0.00 C ATOM 1383 OE1 GLU A 86 13.850 7.955 18.473 1.00 0.00 O ATOM 1384 OE2 GLU A 86 15.147 9.263 17.354 1.00 0.00 O ATOM 0 H GLU A 86 9.834 6.529 16.016 1.00 0.00 H new ATOM 0 HA GLU A 86 10.274 9.421 16.215 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.566 8.295 17.830 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.881 6.926 16.782 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.497 8.133 15.482 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.924 9.690 16.045 1.00 0.00 H new ATOM 1391 N PRO A 87 11.215 9.787 13.910 1.00 0.00 N ATOM 1392 CA PRO A 87 11.715 10.022 12.528 1.00 0.00 C ATOM 1393 C PRO A 87 13.243 10.001 12.469 1.00 0.00 C ATOM 1394 O PRO A 87 13.907 10.822 13.099 1.00 0.00 O ATOM 1395 CB PRO A 87 11.174 11.406 12.193 1.00 0.00 C ATOM 1396 CG PRO A 87 11.056 12.111 13.501 1.00 0.00 C ATOM 1397 CD PRO A 87 10.773 11.050 14.545 1.00 0.00 C ATOM 0 HA PRO A 87 11.393 9.252 11.827 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.845 11.938 11.519 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.207 11.340 11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.975 12.648 13.735 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.254 12.849 13.472 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.319 11.244 15.468 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.714 11.017 14.802 1.00 0.00 H new ATOM 1405 N GLY A 88 13.789 9.055 11.711 1.00 0.00 N ATOM 1406 CA GLY A 88 15.237 8.937 11.579 1.00 0.00 C ATOM 1407 C GLY A 88 15.678 7.484 11.714 1.00 0.00 C ATOM 1408 O GLY A 88 16.665 7.067 11.110 1.00 0.00 O ATOM 0 H GLY A 88 13.256 8.364 11.183 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.551 9.328 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.726 9.542 12.342 1.00 0.00 H new ATOM 1412 N VAL A 89 14.937 6.715 12.510 1.00 0.00 N ATOM 1413 CA VAL A 89 15.261 5.310 12.715 1.00 0.00 C ATOM 1414 C VAL A 89 14.308 4.421 11.922 1.00 0.00 C ATOM 1415 O VAL A 89 13.149 4.777 11.704 1.00 0.00 O ATOM 1416 CB VAL A 89 15.165 4.966 14.200 1.00 0.00 C ATOM 1417 CG1 VAL A 89 16.040 5.927 15.007 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.711 5.091 14.662 1.00 0.00 C ATOM 0 H VAL A 89 14.115 7.041 13.019 1.00 0.00 H new ATOM 0 HA VAL A 89 16.279 5.135 12.366 1.00 0.00 H new ATOM 0 HB VAL A 89 15.509 3.944 14.356 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.970 5.680 16.066 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.076 5.837 14.681 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.698 6.950 14.850 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.644 4.845 15.722 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.365 6.113 14.504 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.087 4.404 14.090 1.00 0.00 H new ATOM 1428 N THR A 90 14.801 3.264 11.496 1.00 0.00 N ATOM 1429 CA THR A 90 13.981 2.331 10.730 1.00 0.00 C ATOM 1430 C THR A 90 13.100 1.507 11.662 1.00 0.00 C ATOM 1431 O THR A 90 13.576 0.960 12.658 1.00 0.00 O ATOM 1432 CB THR A 90 14.878 1.395 9.914 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.238 1.757 10.109 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.522 1.512 8.433 1.00 0.00 C ATOM 0 H THR A 90 15.757 2.950 11.666 1.00 0.00 H new ATOM 0 HA THR A 90 13.344 2.904 10.055 1.00 0.00 H new ATOM 0 HB THR A 90 14.727 0.366 10.241 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.814 1.158 9.589 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.160 0.846 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.478 1.234 8.287 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.673 2.540 8.102 1.00 0.00 H new ATOM 1442 N ASN A 91 11.815 1.425 11.334 1.00 0.00 N ATOM 1443 CA ASN A 91 10.872 0.667 12.150 1.00 0.00 C ATOM 1444 C ASN A 91 10.423 -0.596 11.422 1.00 0.00 C ATOM 1445 O ASN A 91 9.936 -0.530 10.294 1.00 0.00 O ATOM 1446 CB ASN A 91 9.651 1.530 12.474 1.00 0.00 C ATOM 1447 CG ASN A 91 10.094 2.834 13.131 1.00 0.00 C ATOM 1448 OD1 ASN A 91 10.681 2.818 14.212 1.00 0.00 O ATOM 1449 ND2 ASN A 91 9.845 3.969 12.538 1.00 0.00 N ATOM 0 H ASN A 91 11.404 1.871 10.514 1.00 0.00 H new ATOM 0 HA ASN A 91 11.373 0.380 13.075 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.094 1.744 11.562 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.978 0.988 13.139 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.137 4.845 12.971 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.358 3.980 11.642 1.00 0.00 H new ATOM 1456 N ILE A 92 10.592 -1.742 12.074 1.00 0.00 N ATOM 1457 CA ILE A 92 10.198 -3.013 11.479 1.00 0.00 C ATOM 1458 C ILE A 92 8.743 -3.324 11.802 1.00 0.00 C ATOM 1459 O ILE A 92 8.390 -3.548 12.960 1.00 0.00 O ATOM 1460 CB ILE A 92 11.088 -4.139 12.010 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.536 -3.647 12.084 1.00 0.00 C ATOM 1462 CG2 ILE A 92 11.005 -5.342 11.070 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.942 -3.036 10.741 1.00 0.00 C ATOM 0 H ILE A 92 10.996 -1.816 13.008 1.00 0.00 H new ATOM 0 HA ILE A 92 10.314 -2.937 10.398 1.00 0.00 H new ATOM 0 HB ILE A 92 10.751 -4.433 13.004 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.639 -2.907 12.877 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.199 -4.475 12.333 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.639 -6.144 11.448 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.974 -5.690 11.015 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.343 -5.051 10.076 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.973 -2.687 10.797 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.856 -3.789 9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.287 -2.196 10.510 1.00 0.00 H new ATOM 1475 N LEU A 93 7.903 -3.330 10.770 1.00 0.00 N ATOM 1476 CA LEU A 93 6.482 -3.613 10.955 1.00 0.00 C ATOM 1477 C LEU A 93 6.076 -4.865 10.185 1.00 0.00 C ATOM 1478 O LEU A 93 6.386 -5.002 9.005 1.00 0.00 O ATOM 1479 CB LEU A 93 5.645 -2.424 10.471 1.00 0.00 C ATOM 1480 CG LEU A 93 5.748 -1.275 11.480 1.00 0.00 C ATOM 1481 CD1 LEU A 93 7.143 -0.645 11.408 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.694 -0.216 11.155 1.00 0.00 C ATOM 0 H LEU A 93 8.178 -3.144 9.806 1.00 0.00 H new ATOM 0 HA LEU A 93 6.302 -3.780 12.017 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.995 -2.094 9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.604 -2.724 10.352 1.00 0.00 H new ATOM 0 HG LEU A 93 5.580 -1.663 12.485 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.211 0.171 12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.895 -1.399 11.642 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.316 -0.259 10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.767 0.602 11.872 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.862 0.168 10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.701 -0.662 11.212 1.00 0.00 H new ATOM 1494 N LYS A 94 5.366 -5.764 10.861 1.00 0.00 N ATOM 1495 CA LYS A 94 4.906 -6.995 10.229 1.00 0.00 C ATOM 1496 C LYS A 94 3.571 -6.755 9.532 1.00 0.00 C ATOM 1497 O LYS A 94 2.561 -6.476 10.183 1.00 0.00 O ATOM 1498 CB LYS A 94 4.754 -8.100 11.274 1.00 0.00 C ATOM 1499 CG LYS A 94 4.341 -9.398 10.582 1.00 0.00 C ATOM 1500 CD LYS A 94 4.342 -10.538 11.600 1.00 0.00 C ATOM 1501 CE LYS A 94 3.075 -11.376 11.430 1.00 0.00 C ATOM 1502 NZ LYS A 94 1.897 -10.599 11.908 1.00 0.00 N ATOM 0 H LYS A 94 5.098 -5.664 11.840 1.00 0.00 H new ATOM 0 HA LYS A 94 5.644 -7.307 9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.693 -8.242 11.808 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.006 -7.816 12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.350 -9.289 10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.028 -9.623 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.225 -11.162 11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.392 -10.136 12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.944 -11.648 10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.163 -12.306 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.142 -11.254 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.174 -10.014 12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.552 -9.986 11.142 1.00 0.00 H new ATOM 1516 N THR A 95 3.578 -6.844 8.201 1.00 0.00 N ATOM 1517 CA THR A 95 2.366 -6.617 7.428 1.00 0.00 C ATOM 1518 C THR A 95 1.535 -7.888 7.321 1.00 0.00 C ATOM 1519 O THR A 95 2.029 -8.983 7.569 1.00 0.00 O ATOM 1520 CB THR A 95 2.725 -6.106 6.033 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.986 -7.214 5.183 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.970 -5.222 6.117 1.00 0.00 C ATOM 0 H THR A 95 4.403 -7.070 7.645 1.00 0.00 H new ATOM 0 HA THR A 95 1.769 -5.866 7.945 1.00 0.00 H new ATOM 0 HB THR A 95 1.896 -5.523 5.632 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.789 -7.683 5.494 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.226 -4.858 5.122 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.771 -4.375 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.802 -5.802 6.516 1.00 0.00 H new ATOM 1530 N THR A 96 0.270 -7.733 6.953 1.00 0.00 N ATOM 1531 CA THR A 96 -0.620 -8.878 6.822 1.00 0.00 C ATOM 1532 C THR A 96 -0.112 -9.837 5.747 1.00 0.00 C ATOM 1533 O THR A 96 -0.299 -11.050 5.847 1.00 0.00 O ATOM 1534 CB THR A 96 -2.037 -8.407 6.466 1.00 0.00 C ATOM 1535 OG1 THR A 96 -2.973 -9.408 6.846 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.131 -8.160 4.965 1.00 0.00 C ATOM 0 H THR A 96 -0.160 -6.833 6.741 1.00 0.00 H new ATOM 0 HA THR A 96 -0.643 -9.403 7.777 1.00 0.00 H new ATOM 0 HB THR A 96 -2.259 -7.481 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.879 -9.110 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.138 -7.826 4.714 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.411 -7.394 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.911 -9.084 4.430 1.00 0.00 H new ATOM 1544 N GLN A 97 0.512 -9.281 4.714 1.00 0.00 N ATOM 1545 CA GLN A 97 1.016 -10.093 3.616 1.00 0.00 C ATOM 1546 C GLN A 97 1.910 -11.207 4.153 1.00 0.00 C ATOM 1547 O GLN A 97 2.062 -12.248 3.515 1.00 0.00 O ATOM 1548 CB GLN A 97 1.821 -9.219 2.651 1.00 0.00 C ATOM 1549 CG GLN A 97 2.483 -10.101 1.591 1.00 0.00 C ATOM 1550 CD GLN A 97 3.814 -10.636 2.113 1.00 0.00 C ATOM 1551 OE1 GLN A 97 4.618 -9.880 2.654 1.00 0.00 O ATOM 1552 NE2 GLN A 97 4.087 -11.906 1.990 1.00 0.00 N ATOM 0 H GLN A 97 0.679 -8.280 4.615 1.00 0.00 H new ATOM 0 HA GLN A 97 0.169 -10.534 3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.167 -8.489 2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.579 -8.659 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.824 -10.930 1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.645 -9.527 0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.417 -12.530 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.970 -12.274 2.343 1.00 0.00 H new ATOM 1561 N GLY A 98 2.489 -10.982 5.330 1.00 0.00 N ATOM 1562 CA GLY A 98 3.359 -11.978 5.945 1.00 0.00 C ATOM 1563 C GLY A 98 4.767 -11.429 6.139 1.00 0.00 C ATOM 1564 O GLY A 98 5.401 -11.673 7.165 1.00 0.00 O ATOM 0 H GLY A 98 2.372 -10.126 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.947 -12.281 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.396 -12.870 5.319 1.00 0.00 H new ATOM 1568 N SER A 99 5.253 -10.696 5.142 1.00 0.00 N ATOM 1569 CA SER A 99 6.591 -10.124 5.212 1.00 0.00 C ATOM 1570 C SER A 99 6.593 -8.854 6.059 1.00 0.00 C ATOM 1571 O SER A 99 5.534 -8.345 6.442 1.00 0.00 O ATOM 1572 CB SER A 99 7.095 -9.804 3.804 1.00 0.00 C ATOM 1573 OG SER A 99 6.779 -10.886 2.936 1.00 0.00 O ATOM 0 H SER A 99 4.744 -10.486 4.283 1.00 0.00 H new ATOM 0 HA SER A 99 7.253 -10.854 5.678 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.636 -8.885 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.172 -9.637 3.820 1.00 0.00 H new ATOM 0 HG SER A 99 6.135 -10.586 2.261 1.00 0.00 H new ATOM 1579 N LYS A 100 7.788 -8.351 6.354 1.00 0.00 N ATOM 1580 CA LYS A 100 7.918 -7.144 7.159 1.00 0.00 C ATOM 1581 C LYS A 100 8.290 -5.952 6.284 1.00 0.00 C ATOM 1582 O LYS A 100 8.879 -6.119 5.217 1.00 0.00 O ATOM 1583 CB LYS A 100 8.985 -7.343 8.233 1.00 0.00 C ATOM 1584 CG LYS A 100 10.197 -8.053 7.624 1.00 0.00 C ATOM 1585 CD LYS A 100 11.331 -8.114 8.653 1.00 0.00 C ATOM 1586 CE LYS A 100 11.281 -9.455 9.387 1.00 0.00 C ATOM 1587 NZ LYS A 100 12.275 -9.447 10.498 1.00 0.00 N ATOM 0 H LYS A 100 8.673 -8.757 6.050 1.00 0.00 H new ATOM 0 HA LYS A 100 6.958 -6.945 7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.284 -6.380 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.581 -7.932 9.057 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.922 -9.060 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.531 -7.523 6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.294 -7.995 8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.235 -7.294 9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.280 -9.630 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.498 -10.269 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.243 -10.358 10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.228 -9.299 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.048 -8.679 11.161 1.00 0.00 H new ATOM 1601 N ILE A 101 7.943 -4.754 6.745 1.00 0.00 N ATOM 1602 CA ILE A 101 8.246 -3.538 5.998 1.00 0.00 C ATOM 1603 C ILE A 101 8.981 -2.535 6.880 1.00 0.00 C ATOM 1604 O ILE A 101 8.576 -2.276 8.016 1.00 0.00 O ATOM 1605 CB ILE A 101 6.952 -2.914 5.477 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.290 -1.753 4.538 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.124 -2.394 6.652 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.008 -1.236 3.875 1.00 0.00 C ATOM 0 H ILE A 101 7.455 -4.600 7.627 1.00 0.00 H new ATOM 0 HA ILE A 101 8.888 -3.799 5.157 1.00 0.00 H new ATOM 0 HB ILE A 101 6.379 -3.667 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.772 -0.950 5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.998 -2.082 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.202 -1.949 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.884 -3.220 7.321 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.696 -1.641 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.251 -0.410 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.544 -2.040 3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.315 -0.890 4.642 1.00 0.00 H new ATOM 1620 N PHE A 102 10.069 -1.980 6.354 1.00 0.00 N ATOM 1621 CA PHE A 102 10.858 -1.008 7.103 1.00 0.00 C ATOM 1622 C PHE A 102 10.383 0.408 6.818 1.00 0.00 C ATOM 1623 O PHE A 102 10.358 0.844 5.668 1.00 0.00 O ATOM 1624 CB PHE A 102 12.333 -1.131 6.724 1.00 0.00 C ATOM 1625 CG PHE A 102 12.648 -2.567 6.375 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.488 -2.856 5.292 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.085 -3.613 7.120 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.785 -4.186 4.973 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.383 -4.939 6.800 1.00 0.00 C ATOM 1630 CZ PHE A 102 13.222 -5.228 5.719 1.00 0.00 C ATOM 0 H PHE A 102 10.422 -2.185 5.419 1.00 0.00 H new ATOM 0 HA PHE A 102 10.732 -1.215 8.166 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.557 -0.483 5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.960 -0.801 7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.906 -2.053 4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.420 -3.393 7.942 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.449 -4.408 4.151 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.965 -5.743 7.388 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.435 -6.255 5.460 1.00 0.00 H new ATOM 1640 N LEU A 103 9.991 1.117 7.873 1.00 0.00 N ATOM 1641 CA LEU A 103 9.505 2.483 7.729 1.00 0.00 C ATOM 1642 C LEU A 103 10.488 3.474 8.317 1.00 0.00 C ATOM 1643 O LEU A 103 11.090 3.218 9.353 1.00 0.00 O ATOM 1644 CB LEU A 103 8.145 2.632 8.427 1.00 0.00 C ATOM 1645 CG LEU A 103 7.016 2.384 7.426 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.858 3.598 6.514 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.323 1.141 6.593 1.00 0.00 C ATOM 0 H LEU A 103 10.001 0.769 8.832 1.00 0.00 H new ATOM 0 HA LEU A 103 9.395 2.693 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.071 1.925 9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.052 3.631 8.853 1.00 0.00 H new ATOM 0 HG LEU A 103 6.085 2.224 7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.052 3.416 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.620 4.476 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.788 3.770 5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.514 0.971 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.257 1.288 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.417 0.277 7.250 1.00 0.00 H new ATOM 1659 N LYS A 104 10.642 4.616 7.644 1.00 0.00 N ATOM 1660 CA LYS A 104 11.553 5.647 8.117 1.00 0.00 C ATOM 1661 C LYS A 104 11.147 7.010 7.575 1.00 0.00 C ATOM 1662 O LYS A 104 11.157 7.233 6.369 1.00 0.00 O ATOM 1663 CB LYS A 104 12.983 5.325 7.687 1.00 0.00 C ATOM 1664 CG LYS A 104 13.896 6.508 8.021 1.00 0.00 C ATOM 1665 CD LYS A 104 15.355 6.042 8.039 1.00 0.00 C ATOM 1666 CE LYS A 104 15.806 5.727 6.611 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.273 5.472 6.602 1.00 0.00 N ATOM 0 H LYS A 104 10.151 4.844 6.779 1.00 0.00 H new ATOM 0 HA LYS A 104 11.504 5.674 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.333 4.427 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.014 5.118 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.766 7.300 7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.625 6.927 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.990 6.816 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.458 5.158 8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.272 4.855 6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.566 6.560 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.582 5.258 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.774 6.316 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.489 4.664 7.221 1.00 0.00 H new ATOM 1681 N GLU A 105 10.779 7.916 8.478 1.00 0.00 N ATOM 1682 CA GLU A 105 10.363 9.257 8.077 1.00 0.00 C ATOM 1683 C GLU A 105 11.394 10.293 8.518 1.00 0.00 C ATOM 1684 O GLU A 105 11.741 10.373 9.696 1.00 0.00 O ATOM 1685 CB GLU A 105 9.006 9.592 8.695 1.00 0.00 C ATOM 1686 CG GLU A 105 8.465 10.884 8.078 1.00 0.00 C ATOM 1687 CD GLU A 105 8.116 11.880 9.177 1.00 0.00 C ATOM 1688 OE1 GLU A 105 7.536 11.464 10.165 1.00 0.00 O ATOM 1689 OE2 GLU A 105 8.433 13.047 9.013 1.00 0.00 O ATOM 0 H GLU A 105 10.760 7.748 9.484 1.00 0.00 H new ATOM 0 HA GLU A 105 10.282 9.280 6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.306 8.775 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.105 9.706 9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.208 11.315 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.581 10.668 7.478 1.00 0.00 H new ATOM 1696 N VAL A 106 11.877 11.083 7.565 1.00 0.00 N ATOM 1697 CA VAL A 106 12.867 12.110 7.864 1.00 0.00 C ATOM 1698 C VAL A 106 12.525 13.412 7.147 1.00 0.00 C ATOM 1699 O VAL A 106 11.999 13.399 6.041 1.00 0.00 O ATOM 1700 CB VAL A 106 14.257 11.640 7.436 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.196 12.843 7.338 1.00 0.00 C ATOM 1702 CG2 VAL A 106 14.799 10.655 8.472 1.00 0.00 C ATOM 0 H VAL A 106 11.601 11.032 6.584 1.00 0.00 H new ATOM 0 HA VAL A 106 12.860 12.288 8.939 1.00 0.00 H new ATOM 0 HB VAL A 106 14.193 11.151 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.187 12.507 7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.809 13.548 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.262 13.333 8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.790 10.318 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 106 14.863 11.147 9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.130 9.797 8.543 1.00 0.00 H new ATOM 1712 N ASN A 107 12.819 14.533 7.791 1.00 0.00 N ATOM 1713 CA ASN A 107 12.533 15.838 7.202 1.00 0.00 C ATOM 1714 C ASN A 107 11.140 15.855 6.582 1.00 0.00 C ATOM 1715 O ASN A 107 10.981 16.140 5.394 1.00 0.00 O ATOM 1716 CB ASN A 107 13.575 16.167 6.131 1.00 0.00 C ATOM 1717 CG ASN A 107 14.865 16.648 6.786 1.00 0.00 C ATOM 1718 OD1 ASN A 107 14.835 17.536 7.639 1.00 0.00 O ATOM 1719 ND2 ASN A 107 16.002 16.113 6.439 1.00 0.00 N ATOM 0 H ASN A 107 13.252 14.568 8.714 1.00 0.00 H new ATOM 0 HA ASN A 107 12.574 16.588 7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.774 15.285 5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.189 16.936 5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.869 16.430 6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.025 15.378 5.732 1.00 0.00 H new ATOM 1726 N ASP A 108 10.133 15.551 7.394 1.00 0.00 N ATOM 1727 CA ASP A 108 8.755 15.539 6.915 1.00 0.00 C ATOM 1728 C ASP A 108 8.645 14.748 5.616 1.00 0.00 C ATOM 1729 O ASP A 108 7.766 15.011 4.796 1.00 0.00 O ATOM 1730 CB ASP A 108 8.272 16.972 6.684 1.00 0.00 C ATOM 1731 CG ASP A 108 6.747 17.010 6.653 1.00 0.00 C ATOM 1732 OD1 ASP A 108 6.201 17.261 5.591 1.00 0.00 O ATOM 1733 OD2 ASP A 108 6.148 16.787 7.692 1.00 0.00 O ATOM 0 H ASP A 108 10.243 15.311 8.379 1.00 0.00 H new ATOM 0 HA ASP A 108 8.131 15.061 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.644 17.622 7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.673 17.353 5.744 1.00 0.00 H new ATOM 1738 N THR A 109 9.539 13.779 5.440 1.00 0.00 N ATOM 1739 CA THR A 109 9.533 12.952 4.238 1.00 0.00 C ATOM 1740 C THR A 109 9.459 11.478 4.605 1.00 0.00 C ATOM 1741 O THR A 109 10.290 10.971 5.359 1.00 0.00 O ATOM 1742 CB THR A 109 10.797 13.210 3.416 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.048 14.610 3.371 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.598 12.679 2.000 1.00 0.00 C ATOM 0 H THR A 109 10.272 13.548 6.110 1.00 0.00 H new ATOM 0 HA THR A 109 8.656 13.214 3.646 1.00 0.00 H new ATOM 0 HB THR A 109 11.645 12.702 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.383 14.910 4.241 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.498 12.862 1.413 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.401 11.608 2.038 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.753 13.187 1.536 1.00 0.00 H new ATOM 1752 N LEU A 110 8.457 10.795 4.068 1.00 0.00 N ATOM 1753 CA LEU A 110 8.284 9.383 4.350 1.00 0.00 C ATOM 1754 C LEU A 110 9.223 8.541 3.484 1.00 0.00 C ATOM 1755 O LEU A 110 9.050 8.460 2.263 1.00 0.00 O ATOM 1756 CB LEU A 110 6.836 8.964 4.081 1.00 0.00 C ATOM 1757 CG LEU A 110 6.281 8.192 5.284 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.909 7.603 4.936 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.235 7.054 5.666 1.00 0.00 C ATOM 0 H LEU A 110 7.759 11.194 3.441 1.00 0.00 H new ATOM 0 HA LEU A 110 8.523 9.215 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.223 9.845 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.789 8.343 3.187 1.00 0.00 H new ATOM 0 HG LEU A 110 6.183 8.879 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.520 7.056 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.222 8.409 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.008 6.925 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.831 6.512 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.344 6.372 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.209 7.468 5.926 1.00 0.00 H new ATOM 1771 N LEU A 111 10.189 7.886 4.137 1.00 0.00 N ATOM 1772 CA LEU A 111 11.133 7.031 3.437 1.00 0.00 C ATOM 1773 C LEU A 111 10.988 5.589 3.894 1.00 0.00 C ATOM 1774 O LEU A 111 11.292 5.255 5.038 1.00 0.00 O ATOM 1775 CB LEU A 111 12.565 7.512 3.673 1.00 0.00 C ATOM 1776 CG LEU A 111 12.693 8.975 3.245 1.00 0.00 C ATOM 1777 CD1 LEU A 111 14.137 9.421 3.390 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.270 9.116 1.781 1.00 0.00 C ATOM 0 H LEU A 111 10.331 7.936 5.146 1.00 0.00 H new ATOM 0 HA LEU A 111 10.915 7.083 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.826 7.407 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.264 6.895 3.108 1.00 0.00 H new ATOM 0 HG LEU A 111 12.053 9.593 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.228 10.463 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.447 9.319 4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.774 8.801 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.361 10.158 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 111 12.913 8.497 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.235 8.794 1.669 1.00 0.00 H new ATOM 1790 N VAL A 112 10.499 4.740 2.995 1.00 0.00 N ATOM 1791 CA VAL A 112 10.291 3.327 3.330 1.00 0.00 C ATOM 1792 C VAL A 112 11.165 2.432 2.450 1.00 0.00 C ATOM 1793 O VAL A 112 11.385 2.725 1.278 1.00 0.00 O ATOM 1794 CB VAL A 112 8.823 2.959 3.132 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.228 3.756 1.970 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.692 1.460 2.848 1.00 0.00 C ATOM 0 H VAL A 112 10.241 4.996 2.042 1.00 0.00 H new ATOM 0 HA VAL A 112 10.569 3.174 4.373 1.00 0.00 H new ATOM 0 HB VAL A 112 8.278 3.201 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.181 3.483 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.301 4.822 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.777 3.531 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.641 1.207 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.249 1.211 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.093 0.894 3.689 1.00 0.00 H new ATOM 1806 N ASN A 113 11.636 1.331 3.017 1.00 0.00 N ATOM 1807 CA ASN A 113 12.462 0.393 2.271 1.00 0.00 C ATOM 1808 C ASN A 113 13.540 1.137 1.493 1.00 0.00 C ATOM 1809 O ASN A 113 14.099 0.611 0.532 1.00 0.00 O ATOM 1810 CB ASN A 113 11.597 -0.418 1.303 1.00 0.00 C ATOM 1811 CG ASN A 113 12.298 -1.724 0.946 1.00 0.00 C ATOM 1812 OD1 ASN A 113 11.719 -2.862 1.221 1.00 0.00 O flip ATOM 1813 ND2 ASN A 113 13.404 -1.709 0.405 1.00 0.00 N flip ATOM 0 H ASN A 113 11.462 1.066 3.986 1.00 0.00 H new ATOM 0 HA ASN A 113 12.939 -0.284 2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.628 -0.628 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.407 0.161 0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.855 -0.820 0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.869 -2.586 0.171 1.00 0.00 H new ATOM 1820 N GLU A 114 13.830 2.363 1.918 1.00 0.00 N ATOM 1821 CA GLU A 114 14.847 3.170 1.252 1.00 0.00 C ATOM 1822 C GLU A 114 14.311 3.732 -0.065 1.00 0.00 C ATOM 1823 O GLU A 114 14.773 3.373 -1.148 1.00 0.00 O ATOM 1824 CB GLU A 114 16.094 2.318 0.988 1.00 0.00 C ATOM 1825 CG GLU A 114 17.344 3.186 1.139 1.00 0.00 C ATOM 1826 CD GLU A 114 18.550 2.466 0.547 1.00 0.00 C ATOM 1827 OE1 GLU A 114 18.452 2.019 -0.584 1.00 0.00 O ATOM 1828 OE2 GLU A 114 19.554 2.372 1.233 1.00 0.00 O ATOM 0 H GLU A 114 13.380 2.816 2.713 1.00 0.00 H new ATOM 0 HA GLU A 114 15.111 4.004 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.132 1.482 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.052 1.893 -0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.197 4.142 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.521 3.404 2.192 1.00 0.00 H new ATOM 1835 N LEU A 115 13.333 4.620 0.034 1.00 0.00 N ATOM 1836 CA LEU A 115 12.745 5.225 -1.156 1.00 0.00 C ATOM 1837 C LEU A 115 11.846 6.390 -0.768 1.00 0.00 C ATOM 1838 O LEU A 115 11.282 6.401 0.318 1.00 0.00 O ATOM 1839 CB LEU A 115 11.950 4.170 -1.934 1.00 0.00 C ATOM 1840 CG LEU A 115 10.541 4.059 -1.347 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.623 5.103 -1.988 1.00 0.00 C ATOM 1842 CD2 LEU A 115 9.986 2.658 -1.606 1.00 0.00 C ATOM 0 H LEU A 115 12.931 4.937 0.917 1.00 0.00 H new ATOM 0 HA LEU A 115 13.543 5.606 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.896 4.443 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.455 3.206 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 115 10.587 4.238 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.622 5.017 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.015 6.101 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.577 4.935 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.983 2.581 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.946 2.475 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.633 1.918 -1.136 1.00 0.00 H new ATOM 1854 N LYS A 116 11.690 7.342 -1.677 1.00 0.00 N ATOM 1855 CA LYS A 116 10.847 8.500 -1.427 1.00 0.00 C ATOM 1856 C LYS A 116 9.396 8.224 -1.811 1.00 0.00 C ATOM 1857 O LYS A 116 9.112 7.774 -2.919 1.00 0.00 O ATOM 1858 CB LYS A 116 11.365 9.702 -2.218 1.00 0.00 C ATOM 1859 CG LYS A 116 10.624 10.967 -1.781 1.00 0.00 C ATOM 1860 CD LYS A 116 11.606 11.929 -1.114 1.00 0.00 C ATOM 1861 CE LYS A 116 12.595 12.456 -2.146 1.00 0.00 C ATOM 1862 NZ LYS A 116 12.351 13.907 -2.379 1.00 0.00 N ATOM 0 H LYS A 116 12.137 7.334 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 116 10.884 8.717 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.436 9.822 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.222 9.536 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.159 11.445 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.822 10.711 -1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.064 12.759 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 116 12.140 11.419 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.616 12.300 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.489 11.905 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.027 14.264 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.381 14.044 -2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.474 14.427 -1.487 1.00 0.00 H new ATOM 1876 N SER A 117 8.483 8.506 -0.885 1.00 0.00 N ATOM 1877 CA SER A 117 7.063 8.286 -1.144 1.00 0.00 C ATOM 1878 C SER A 117 6.489 9.417 -1.989 1.00 0.00 C ATOM 1879 O SER A 117 7.075 10.496 -2.079 1.00 0.00 O ATOM 1880 CB SER A 117 6.301 8.194 0.178 1.00 0.00 C ATOM 1881 OG SER A 117 6.925 7.229 1.014 1.00 0.00 O ATOM 0 H SER A 117 8.696 8.882 0.039 1.00 0.00 H new ATOM 0 HA SER A 117 6.954 7.350 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.288 9.166 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.263 7.916 -0.006 1.00 0.00 H new ATOM 0 HG SER A 117 7.734 7.614 1.411 1.00 0.00 H new ATOM 1887 N LYS A 118 5.338 9.164 -2.608 1.00 0.00 N ATOM 1888 CA LYS A 118 4.697 10.171 -3.443 1.00 0.00 C ATOM 1889 C LYS A 118 3.640 10.931 -2.651 1.00 0.00 C ATOM 1890 O LYS A 118 3.557 12.158 -2.728 1.00 0.00 O ATOM 1891 CB LYS A 118 4.041 9.501 -4.654 1.00 0.00 C ATOM 1892 CG LYS A 118 5.119 9.134 -5.676 1.00 0.00 C ATOM 1893 CD LYS A 118 5.430 10.345 -6.560 1.00 0.00 C ATOM 1894 CE LYS A 118 6.933 10.407 -6.831 1.00 0.00 C ATOM 1895 NZ LYS A 118 7.204 11.431 -7.880 1.00 0.00 N ATOM 0 H LYS A 118 4.836 8.278 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 118 5.458 10.874 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.501 8.607 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.311 10.173 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.023 8.805 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.781 8.300 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.883 10.272 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.100 11.261 -6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.469 10.657 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.296 9.432 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.226 11.475 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.704 11.173 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.871 12.360 -7.552 1.00 0.00 H new ATOM 1909 N GLU A 119 2.835 10.194 -1.890 1.00 0.00 N ATOM 1910 CA GLU A 119 1.786 10.816 -1.086 1.00 0.00 C ATOM 1911 C GLU A 119 1.297 9.852 -0.007 1.00 0.00 C ATOM 1912 O GLU A 119 0.736 8.802 -0.304 1.00 0.00 O ATOM 1913 CB GLU A 119 0.615 11.227 -1.980 1.00 0.00 C ATOM 1914 CG GLU A 119 0.076 12.585 -1.526 1.00 0.00 C ATOM 1915 CD GLU A 119 -1.214 12.910 -2.268 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -1.156 13.062 -3.478 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -2.241 13.000 -1.617 1.00 0.00 O ATOM 0 H GLU A 119 2.887 9.178 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 119 2.199 11.702 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.939 11.282 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.174 10.476 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.107 12.572 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.818 13.361 -1.714 1.00 0.00 H new ATOM 1924 N SER A 120 1.515 10.212 1.246 1.00 0.00 N ATOM 1925 CA SER A 120 1.095 9.363 2.354 1.00 0.00 C ATOM 1926 C SER A 120 0.635 10.207 3.517 1.00 0.00 C ATOM 1927 O SER A 120 0.748 11.426 3.465 1.00 0.00 O ATOM 1928 CB SER A 120 2.257 8.473 2.796 1.00 0.00 C ATOM 1929 OG SER A 120 1.799 7.553 3.779 1.00 0.00 O ATOM 0 H SER A 120 1.976 11.078 1.523 1.00 0.00 H new ATOM 0 HA SER A 120 0.266 8.739 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.664 7.935 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.064 9.084 3.201 1.00 0.00 H new ATOM 0 HG SER A 120 2.036 7.882 4.671 1.00 0.00 H new ATOM 1935 N ASP A 121 0.130 9.551 4.566 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.338 10.261 5.759 1.00 0.00 C ATOM 1937 C ASP A 121 -1.762 10.773 5.550 1.00 0.00 C ATOM 1938 O ASP A 121 -2.314 11.467 6.403 1.00 0.00 O ATOM 1939 CB ASP A 121 0.600 11.436 6.090 1.00 0.00 C ATOM 1940 CG ASP A 121 -0.066 12.758 5.698 1.00 0.00 C ATOM 1941 OD1 ASP A 121 -0.031 13.665 6.503 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -0.607 12.848 4.605 1.00 0.00 O ATOM 0 H ASP A 121 0.035 8.537 4.613 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.334 9.563 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.834 11.438 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.544 11.321 5.557 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.346 10.429 4.405 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.704 10.861 4.089 1.00 0.00 C ATOM 1949 C ILE A 122 -4.688 10.228 5.062 1.00 0.00 C ATOM 1950 O ILE A 122 -4.568 9.057 5.404 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.063 10.463 2.659 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.249 11.305 1.674 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.554 10.689 2.423 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -1.765 10.997 1.831 1.00 0.00 C ATOM 0 H ILE A 122 -1.904 9.857 3.686 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.758 11.946 4.179 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.832 9.409 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.567 11.094 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.430 12.365 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.808 10.404 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.129 10.082 3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.791 11.742 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.192 11.600 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -1.451 11.230 2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.590 9.940 1.630 1.00 0.00 H new ATOM 1966 N MET A 123 -5.655 11.010 5.517 1.00 0.00 N ATOM 1967 CA MET A 123 -6.646 10.519 6.462 1.00 0.00 C ATOM 1968 C MET A 123 -7.755 9.760 5.752 1.00 0.00 C ATOM 1969 O MET A 123 -8.399 10.293 4.853 1.00 0.00 O ATOM 1970 CB MET A 123 -7.243 11.693 7.246 1.00 0.00 C ATOM 1971 CG MET A 123 -8.078 11.164 8.410 1.00 0.00 C ATOM 1972 SD MET A 123 -7.176 11.403 9.965 1.00 0.00 S ATOM 1973 CE MET A 123 -6.379 9.776 10.029 1.00 0.00 C ATOM 0 H MET A 123 -5.775 11.986 5.247 1.00 0.00 H new ATOM 0 HA MET A 123 -6.149 9.834 7.149 1.00 0.00 H new ATOM 0 HB2 MET A 123 -6.446 12.336 7.620 1.00 0.00 H new ATOM 0 HB3 MET A 123 -7.863 12.304 6.589 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.035 11.684 8.450 1.00 0.00 H new ATOM 0 HG3 MET A 123 -8.296 10.106 8.263 1.00 0.00 H new ATOM 0 HE1 MET A 123 -6.018 9.587 11.040 1.00 0.00 H new ATOM 0 HE2 MET A 123 -7.100 9.007 9.752 1.00 0.00 H new ATOM 0 HE3 MET A 123 -5.540 9.754 9.334 1.00 0.00 H new ATOM 1983 N THR A 124 -7.981 8.518 6.178 1.00 0.00 N ATOM 1984 CA THR A 124 -9.025 7.695 5.584 1.00 0.00 C ATOM 1985 C THR A 124 -9.976 7.182 6.659 1.00 0.00 C ATOM 1986 O THR A 124 -9.635 7.150 7.842 1.00 0.00 O ATOM 1987 CB THR A 124 -8.405 6.513 4.840 1.00 0.00 C ATOM 1988 OG1 THR A 124 -7.202 6.129 5.485 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.107 6.918 3.398 1.00 0.00 C ATOM 0 H THR A 124 -7.457 8.065 6.927 1.00 0.00 H new ATOM 0 HA THR A 124 -9.586 8.308 4.879 1.00 0.00 H new ATOM 0 HB THR A 124 -9.101 5.674 4.843 1.00 0.00 H new ATOM 0 HG1 THR A 124 -7.035 6.723 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.665 6.075 2.867 1.00 0.00 H new ATOM 0 HG22 THR A 124 -9.033 7.212 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.410 7.756 3.392 1.00 0.00 H new ATOM 1997 N THR A 125 -11.174 6.789 6.244 1.00 0.00 N ATOM 1998 CA THR A 125 -12.173 6.287 7.182 1.00 0.00 C ATOM 1999 C THR A 125 -11.779 4.908 7.696 1.00 0.00 C ATOM 2000 O THR A 125 -12.364 4.406 8.656 1.00 0.00 O ATOM 2001 CB THR A 125 -13.539 6.204 6.495 1.00 0.00 C ATOM 2002 OG1 THR A 125 -13.493 5.228 5.464 1.00 0.00 O ATOM 2003 CG2 THR A 125 -13.901 7.567 5.898 1.00 0.00 C ATOM 0 H THR A 125 -11.477 6.807 5.270 1.00 0.00 H new ATOM 0 HA THR A 125 -12.230 6.975 8.025 1.00 0.00 H new ATOM 0 HB THR A 125 -14.295 5.922 7.228 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.380 4.827 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 125 -14.874 7.504 5.410 1.00 0.00 H new ATOM 0 HG22 THR A 125 -13.941 8.313 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.146 7.856 5.167 1.00 0.00 H new ATOM 2011 N ASN A 126 -10.785 4.304 7.047 1.00 0.00 N ATOM 2012 CA ASN A 126 -10.318 2.980 7.443 1.00 0.00 C ATOM 2013 C ASN A 126 -8.896 3.052 7.991 1.00 0.00 C ATOM 2014 O ASN A 126 -8.266 2.024 8.246 1.00 0.00 O ATOM 2015 CB ASN A 126 -10.366 2.029 6.250 1.00 0.00 C ATOM 2016 CG ASN A 126 -10.706 0.620 6.716 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -11.739 0.407 7.352 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -9.895 -0.364 6.435 1.00 0.00 N ATOM 0 H ASN A 126 -10.292 4.708 6.251 1.00 0.00 H new ATOM 0 HA ASN A 126 -10.975 2.605 8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.110 2.372 5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.404 2.028 5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -10.117 -1.311 6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -9.040 -0.186 5.908 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.398 4.272 8.167 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.052 4.465 8.696 1.00 0.00 C ATOM 2027 C GLY A 127 -6.304 5.543 7.920 1.00 0.00 C ATOM 2028 O GLY A 127 -6.814 6.649 7.739 1.00 0.00 O ATOM 0 H GLY A 127 -8.900 5.134 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.108 4.744 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -6.500 3.527 8.644 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.101 5.208 7.464 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.296 6.150 6.701 1.00 0.00 C ATOM 2034 C VAL A 128 -3.858 5.520 5.381 1.00 0.00 C ATOM 2035 O VAL A 128 -3.666 4.301 5.290 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.070 6.579 7.513 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -1.849 5.759 7.091 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.789 8.064 7.274 1.00 0.00 C ATOM 0 H VAL A 128 -4.666 4.297 7.609 1.00 0.00 H new ATOM 0 HA VAL A 128 -4.900 7.032 6.486 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.269 6.409 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -0.982 6.071 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.043 4.701 7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.651 5.920 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.916 8.367 7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.598 8.232 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.652 8.652 7.585 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.675 6.352 4.369 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.244 5.866 3.071 1.00 0.00 C ATOM 2050 C ILE A 129 -1.746 6.115 2.865 1.00 0.00 C ATOM 2051 O ILE A 129 -1.176 7.062 3.426 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.056 6.561 1.968 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -4.960 5.535 1.273 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.114 7.186 0.926 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -5.900 6.253 0.296 1.00 0.00 C ATOM 0 H ILE A 129 -3.817 7.361 4.421 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.416 4.791 3.024 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.662 7.346 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -4.353 4.804 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.541 4.986 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.703 7.675 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.471 7.921 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.499 6.406 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -6.541 5.522 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.517 6.966 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.311 6.782 -0.453 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.138 5.303 2.001 1.00 0.00 N ATOM 2068 CA HIS A 130 0.269 5.477 1.677 1.00 0.00 C ATOM 2069 C HIS A 130 0.510 5.209 0.192 1.00 0.00 C ATOM 2070 O HIS A 130 0.429 4.071 -0.263 1.00 0.00 O ATOM 2071 CB HIS A 130 1.106 4.530 2.524 1.00 0.00 C ATOM 2072 CG HIS A 130 2.557 4.911 2.444 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.435 4.693 3.493 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.314 5.465 1.438 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.653 5.102 3.092 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.629 5.580 1.847 1.00 0.00 N ATOM 0 H HIS A 130 -1.595 4.528 1.520 1.00 0.00 H new ATOM 0 HA HIS A 130 0.560 6.505 1.892 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.770 4.563 3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.972 3.505 2.178 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.937 5.766 0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.541 5.050 3.704 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.414 5.951 1.311 1.00 0.00 H new ATOM 2085 N VAL A 131 0.849 6.264 -0.547 1.00 0.00 N ATOM 2086 CA VAL A 131 1.131 6.135 -1.974 1.00 0.00 C ATOM 2087 C VAL A 131 2.629 6.193 -2.240 1.00 0.00 C ATOM 2088 O VAL A 131 3.310 7.125 -1.807 1.00 0.00 O ATOM 2089 CB VAL A 131 0.429 7.247 -2.751 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.588 7.009 -4.250 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.058 7.261 -2.389 1.00 0.00 C ATOM 0 H VAL A 131 0.935 7.213 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 131 0.756 5.167 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 131 0.876 8.206 -2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.086 7.805 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.647 7.003 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.145 6.049 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.560 8.054 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.504 6.300 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.170 7.438 -1.319 1.00 0.00 H new ATOM 2101 N VAL A 132 3.126 5.185 -2.958 1.00 0.00 N ATOM 2102 CA VAL A 132 4.555 5.126 -3.276 1.00 0.00 C ATOM 2103 C VAL A 132 4.767 4.949 -4.775 1.00 0.00 C ATOM 2104 O VAL A 132 3.810 4.838 -5.535 1.00 0.00 O ATOM 2105 CB VAL A 132 5.205 3.963 -2.525 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.967 4.123 -1.024 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.593 2.646 -2.996 1.00 0.00 C ATOM 0 H VAL A 132 2.573 4.411 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 132 5.016 6.064 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 132 6.277 3.960 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.431 3.293 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.404 5.062 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.896 4.128 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.056 1.817 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.521 2.652 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.764 2.527 -4.066 1.00 0.00 H new ATOM 2117 N ASP A 133 6.029 4.926 -5.191 1.00 0.00 N ATOM 2118 CA ASP A 133 6.357 4.751 -6.602 1.00 0.00 C ATOM 2119 C ASP A 133 7.353 3.609 -6.779 1.00 0.00 C ATOM 2120 O ASP A 133 8.310 3.720 -7.542 1.00 0.00 O ATOM 2121 CB ASP A 133 6.951 6.039 -7.169 1.00 0.00 C ATOM 2122 CG ASP A 133 8.092 6.521 -6.281 1.00 0.00 C ATOM 2123 OD1 ASP A 133 7.807 7.122 -5.258 1.00 0.00 O ATOM 2124 OD2 ASP A 133 9.233 6.283 -6.638 1.00 0.00 O ATOM 0 H ASP A 133 6.837 5.026 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 133 5.440 4.510 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.315 5.866 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.180 6.807 -7.234 1.00 0.00 H new ATOM 2129 N LYS A 134 7.118 2.509 -6.067 1.00 0.00 N ATOM 2130 CA LYS A 134 7.996 1.353 -6.157 1.00 0.00 C ATOM 2131 C LYS A 134 7.360 0.151 -5.456 1.00 0.00 C ATOM 2132 O LYS A 134 6.872 0.262 -4.332 1.00 0.00 O ATOM 2133 CB LYS A 134 9.345 1.680 -5.516 1.00 0.00 C ATOM 2134 CG LYS A 134 10.286 0.474 -5.644 1.00 0.00 C ATOM 2135 CD LYS A 134 10.928 0.168 -4.287 1.00 0.00 C ATOM 2136 CE LYS A 134 11.564 -1.218 -4.317 1.00 0.00 C ATOM 2137 NZ LYS A 134 12.894 -1.137 -4.983 1.00 0.00 N ATOM 0 H LYS A 134 6.332 2.397 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 134 8.149 1.104 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.787 2.551 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.207 1.935 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.732 -0.395 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.059 0.682 -6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.682 0.919 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.176 0.216 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.676 -1.601 -3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.919 -1.915 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.980 -1.903 -5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.986 -0.219 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.645 -1.232 -4.270 1.00 0.00 H new ATOM 2151 N LEU A 135 7.391 -0.999 -6.124 1.00 0.00 N ATOM 2152 CA LEU A 135 6.825 -2.216 -5.558 1.00 0.00 C ATOM 2153 C LEU A 135 7.744 -2.795 -4.486 1.00 0.00 C ATOM 2154 O LEU A 135 8.916 -3.060 -4.738 1.00 0.00 O ATOM 2155 CB LEU A 135 6.612 -3.253 -6.664 1.00 0.00 C ATOM 2156 CG LEU A 135 5.731 -4.386 -6.130 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.288 -3.896 -5.974 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.765 -5.561 -7.110 1.00 0.00 C ATOM 0 H LEU A 135 7.800 -1.112 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 135 5.868 -1.967 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.141 -2.787 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.571 -3.649 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 135 6.108 -4.706 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.667 -4.707 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.261 -3.060 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.907 -3.571 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.138 -6.369 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.391 -5.236 -8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.790 -5.916 -7.216 1.00 0.00 H new ATOM 2170 N LEU A 136 7.199 -2.990 -3.289 1.00 0.00 N ATOM 2171 CA LEU A 136 7.978 -3.538 -2.187 1.00 0.00 C ATOM 2172 C LEU A 136 7.878 -5.059 -2.160 1.00 0.00 C ATOM 2173 O LEU A 136 6.805 -5.615 -1.925 1.00 0.00 O ATOM 2174 CB LEU A 136 7.476 -2.969 -0.860 1.00 0.00 C ATOM 2175 CG LEU A 136 7.179 -1.477 -1.020 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.903 -0.853 0.349 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.378 -0.784 -1.666 1.00 0.00 C ATOM 0 H LEU A 136 6.228 -2.778 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 136 9.021 -3.258 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.577 -3.497 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.224 -3.120 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 136 6.301 -1.352 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.692 0.210 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.044 -1.344 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.776 -0.979 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.166 0.279 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.257 -0.913 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.568 -1.223 -2.645 1.00 0.00 H new ATOM 2189 N TYR A 137 9.003 -5.725 -2.404 1.00 0.00 N ATOM 2190 CA TYR A 137 9.025 -7.181 -2.410 1.00 0.00 C ATOM 2191 C TYR A 137 9.234 -7.727 -0.995 1.00 0.00 C ATOM 2192 O TYR A 137 9.782 -7.031 -0.135 1.00 0.00 O ATOM 2193 CB TYR A 137 10.149 -7.684 -3.320 1.00 0.00 C ATOM 2194 CG TYR A 137 10.682 -6.538 -4.142 1.00 0.00 C ATOM 2195 CD1 TYR A 137 10.080 -6.215 -5.364 1.00 0.00 C ATOM 2196 CD2 TYR A 137 11.783 -5.803 -3.688 1.00 0.00 C ATOM 2197 CE1 TYR A 137 10.573 -5.150 -6.128 1.00 0.00 C ATOM 2198 CE2 TYR A 137 12.277 -4.738 -4.452 1.00 0.00 C ATOM 2199 CZ TYR A 137 11.675 -4.415 -5.673 1.00 0.00 C ATOM 2200 OH TYR A 137 12.163 -3.367 -6.427 1.00 0.00 O ATOM 0 H TYR A 137 9.902 -5.284 -2.598 1.00 0.00 H new ATOM 0 HA TYR A 137 8.064 -7.534 -2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 137 10.949 -8.119 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 137 9.776 -8.472 -3.974 1.00 0.00 H new ATOM 0 HD1 TYR A 137 9.235 -6.787 -5.718 1.00 0.00 H new ATOM 0 HD2 TYR A 137 12.252 -6.057 -2.749 1.00 0.00 H new ATOM 0 HE1 TYR A 137 10.104 -4.896 -7.067 1.00 0.00 H new ATOM 0 HE2 TYR A 137 13.122 -4.166 -4.099 1.00 0.00 H new ATOM 0 HH TYR A 137 11.431 -2.964 -6.939 1.00 0.00 H new ATOM 2210 N PRO A 138 8.820 -8.945 -0.745 1.00 0.00 N ATOM 2211 CA PRO A 138 8.980 -9.590 0.583 1.00 0.00 C ATOM 2212 C PRO A 138 10.326 -9.273 1.228 1.00 0.00 C ATOM 2213 O PRO A 138 10.399 -8.521 2.197 1.00 0.00 O ATOM 2214 CB PRO A 138 8.854 -11.077 0.270 1.00 0.00 C ATOM 2215 CG PRO A 138 7.982 -11.158 -0.938 1.00 0.00 C ATOM 2216 CD PRO A 138 8.151 -9.848 -1.703 1.00 0.00 C ATOM 0 HA PRO A 138 8.243 -9.235 1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 138 9.831 -11.522 0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 138 8.415 -11.619 1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 138 8.265 -12.007 -1.561 1.00 0.00 H new ATOM 0 HG3 PRO A 138 6.941 -11.305 -0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.751 -9.988 -2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 138 7.189 -9.447 -2.021 1.00 0.00 H new ATOM 2224 N ALA A 139 11.385 -9.855 0.683 1.00 0.00 N ATOM 2225 CA ALA A 139 12.725 -9.641 1.214 1.00 0.00 C ATOM 2226 C ALA A 139 12.937 -10.457 2.484 1.00 0.00 C ATOM 2227 O ALA A 139 14.068 -10.654 2.923 1.00 0.00 O ATOM 2228 CB ALA A 139 12.928 -8.162 1.517 1.00 0.00 C ATOM 0 H ALA A 139 11.343 -10.477 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 139 13.450 -9.964 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 139 13.931 -8.006 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 139 12.806 -7.583 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 139 12.192 -7.837 2.253 1.00 0.00 H new ATOM 2234 N ASP A 140 11.841 -10.924 3.068 1.00 0.00 N ATOM 2235 CA ASP A 140 11.915 -11.719 4.291 1.00 0.00 C ATOM 2236 C ASP A 140 12.579 -10.919 5.408 1.00 0.00 C ATOM 2237 O ASP A 140 11.925 -10.516 6.370 1.00 0.00 O ATOM 2238 CB ASP A 140 12.712 -12.999 4.036 1.00 0.00 C ATOM 2239 CG ASP A 140 12.198 -13.690 2.778 1.00 0.00 C ATOM 2240 OD1 ASP A 140 11.237 -13.201 2.207 1.00 0.00 O ATOM 2241 OD2 ASP A 140 12.773 -14.700 2.403 1.00 0.00 O ATOM 0 H ASP A 140 10.895 -10.769 2.719 1.00 0.00 H new ATOM 0 HA ASP A 140 10.901 -11.978 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.770 -12.762 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 140 12.623 -13.669 4.891 1.00 0.00 H new TER 2246 ASP A 140