USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 243 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 74 SER OG : rot 150:sc= -0.382 USER MOD Set 1.2: A 94 THR OG1 : rot 122:sc= 0.0657 USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 ASN :FLIP amide:sc= -0.0513 F(o=-0.5,f=0.081) USER MOD Set 2.3: A 64 GLN :FLIP amide:sc= -0.185 X(o=-0.1,f=0.081) USER MOD Set 2.4: A 66 THR OG1 : rot -129:sc= 0.318 USER MOD Set 3.1: A 46 SER OG : rot -20:sc= 0.421 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 10 SER OG : rot -135:sc= 0.291 USER MOD Set 4.2: A 48 SER OG : rot -47:sc= 0.597 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00607) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 18 SER OG : rot 160:sc= -0.107 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0845) USER MOD Single : A 22 TYR OH : rot 174:sc= 0.14 USER MOD Single : A 23 TYR OH : rot -147:sc= 0.156 USER MOD Single : A 25 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 32 HIS : no HE2:sc= -0.469 K(o=-0.47,f=-4.1!) USER MOD Single : A 34 GLN : amide:sc= -0.073 K(o=-0.073,f=-1.1!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0832 F(o=-1.2,f=-0.083) USER MOD Single : A 39 SER OG : rot -37:sc= -0.182 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00484) USER MOD Single : A 51 SER OG : rot -140:sc= -0.868 USER MOD Single : A 53 TYR OH : rot 155:sc= -0.345 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0487) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 62 HIS : no HE2:sc= 0.366! C(o=0.37!,f=-5.4!) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0299) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= 0.0547 F(o=-5.1!,f=0.055) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.496 (180deg=-0.921) USER MOD Single : A 71 ASN : amide:sc=-0.00731 K(o=-0.0073,f=-0.59) USER MOD Single : A 72 ASN : amide:sc= -0.327 K(o=-0.33,f=-1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.382 F(o=-2.7,f=-0.38) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0165 F(o=-0.56,f=-0.017) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.26 K(o=0.26,f=-8.1!) USER MOD Single : A 99 THR OG1 : rot -55:sc= 0.112 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -166:sc= 0 (180deg=-0.0965) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0559) USER MOD Single : A 108 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.47) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 4 0.661 -10.748 -8.221 1.00 0.00 N ATOM 26 CA GLU A 4 1.229 -9.874 -9.272 1.00 0.00 C ATOM 27 C GLU A 4 0.488 -10.020 -10.614 1.00 0.00 C ATOM 28 O GLU A 4 0.871 -10.810 -11.476 1.00 0.00 O ATOM 29 CB GLU A 4 2.727 -10.172 -9.400 1.00 0.00 C ATOM 30 CG GLU A 4 3.591 -9.110 -8.715 1.00 0.00 C ATOM 31 CD GLU A 4 4.082 -8.058 -9.714 1.00 0.00 C ATOM 32 OE1 GLU A 4 3.324 -7.092 -9.961 1.00 0.00 O ATOM 33 OE2 GLU A 4 5.224 -8.225 -10.195 1.00 0.00 O ATOM 0 HA GLU A 4 1.096 -8.832 -8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.940 -11.148 -8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.995 -10.230 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.016 -8.624 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.447 -9.588 -8.238 1.00 0.00 H new ATOM 35 N GLN A 5 -0.689 -9.395 -10.633 1.00 0.00 N ATOM 36 CA GLN A 5 -1.587 -9.248 -11.798 1.00 0.00 C ATOM 37 C GLN A 5 -2.756 -8.326 -11.404 1.00 0.00 C ATOM 38 O GLN A 5 -3.570 -8.671 -10.550 1.00 0.00 O ATOM 39 CB GLN A 5 -2.119 -10.612 -12.268 1.00 0.00 C ATOM 40 CG GLN A 5 -2.803 -10.543 -13.639 1.00 0.00 C ATOM 41 CD GLN A 5 -3.368 -11.906 -14.052 1.00 0.00 C ATOM 42 OE1 GLN A 5 -4.397 -12.362 -13.579 1.00 0.00 O ATOM 43 NE2 GLN A 5 -2.688 -12.604 -14.938 1.00 0.00 N ATOM 0 H GLN A 5 -1.069 -8.952 -9.797 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.029 -8.813 -12.627 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.294 -11.322 -12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.827 -10.994 -11.533 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.607 -9.808 -13.609 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.087 -10.202 -14.387 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.828 -12.225 -15.335 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.021 -13.523 -15.228 1.00 0.00 H new ATOM 47 N PHE A 6 -2.566 -7.059 -11.764 1.00 0.00 N ATOM 48 CA PHE A 6 -3.542 -5.948 -11.668 1.00 0.00 C ATOM 49 C PHE A 6 -3.928 -5.627 -10.215 1.00 0.00 C ATOM 50 O PHE A 6 -5.059 -5.809 -9.758 1.00 0.00 O ATOM 51 CB PHE A 6 -4.764 -6.234 -12.558 1.00 0.00 C ATOM 52 CG PHE A 6 -5.155 -5.028 -13.417 1.00 0.00 C ATOM 53 CD1 PHE A 6 -4.589 -4.870 -14.678 1.00 0.00 C ATOM 54 CD2 PHE A 6 -6.121 -4.129 -12.979 1.00 0.00 C ATOM 55 CE1 PHE A 6 -4.965 -3.809 -15.490 1.00 0.00 C ATOM 56 CE2 PHE A 6 -6.518 -3.082 -13.803 1.00 0.00 C ATOM 57 CZ PHE A 6 -5.938 -2.918 -15.056 1.00 0.00 C ATOM 0 H PHE A 6 -1.676 -6.750 -12.156 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.061 -5.045 -12.043 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.547 -7.083 -13.206 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -5.609 -6.519 -11.931 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.852 -5.578 -15.028 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.562 -4.244 -12.000 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.502 -3.677 -16.457 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.280 -2.393 -13.469 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.244 -2.099 -15.691 1.00 0.00 H new ATOM 64 N GLU A 7 -2.999 -4.938 -9.563 1.00 0.00 N ATOM 65 CA GLU A 7 -3.109 -4.619 -8.129 1.00 0.00 C ATOM 66 C GLU A 7 -3.540 -3.160 -7.921 1.00 0.00 C ATOM 67 O GLU A 7 -2.722 -2.246 -7.812 1.00 0.00 O ATOM 68 CB GLU A 7 -1.782 -4.929 -7.426 1.00 0.00 C ATOM 69 CG GLU A 7 -1.487 -6.432 -7.365 1.00 0.00 C ATOM 70 CD GLU A 7 -0.247 -6.740 -6.523 1.00 0.00 C ATOM 71 OE1 GLU A 7 -0.249 -6.352 -5.331 1.00 0.00 O ATOM 72 OE2 GLU A 7 0.690 -7.355 -7.082 1.00 0.00 O ATOM 0 H GLU A 7 -2.150 -4.583 -10.003 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.883 -5.243 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.970 -4.424 -7.950 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.808 -4.526 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.348 -6.954 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.343 -6.814 -8.376 1.00 0.00 H new ATOM 74 N LEU A 8 -4.857 -2.985 -7.899 1.00 0.00 N ATOM 75 CA LEU A 8 -5.487 -1.657 -7.770 1.00 0.00 C ATOM 76 C LEU A 8 -6.073 -1.467 -6.364 1.00 0.00 C ATOM 77 O LEU A 8 -6.951 -2.206 -5.919 1.00 0.00 O ATOM 78 CB LEU A 8 -6.550 -1.488 -8.864 1.00 0.00 C ATOM 79 CG LEU A 8 -7.009 -0.033 -9.001 1.00 0.00 C ATOM 80 CD1 LEU A 8 -6.993 0.375 -10.475 1.00 0.00 C ATOM 81 CD2 LEU A 8 -8.414 0.154 -8.420 1.00 0.00 C ATOM 0 H LEU A 8 -5.525 -3.753 -7.969 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.733 -0.881 -7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.147 -1.832 -9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.409 -2.119 -8.635 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.322 0.602 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.320 1.410 -10.569 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.981 0.277 -10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.666 -0.271 -11.039 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.717 1.195 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.116 -0.486 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.409 -0.114 -7.363 1.00 0.00 H new ATOM 83 N PHE A 9 -5.478 -0.509 -5.667 1.00 0.00 N ATOM 84 CA PHE A 9 -5.815 -0.193 -4.265 1.00 0.00 C ATOM 85 C PHE A 9 -6.220 1.277 -4.063 1.00 0.00 C ATOM 86 O PHE A 9 -5.791 2.178 -4.784 1.00 0.00 O ATOM 87 CB PHE A 9 -4.646 -0.583 -3.353 1.00 0.00 C ATOM 88 CG PHE A 9 -4.338 -2.082 -3.407 1.00 0.00 C ATOM 89 CD1 PHE A 9 -5.056 -2.976 -2.619 1.00 0.00 C ATOM 90 CD2 PHE A 9 -3.263 -2.537 -4.161 1.00 0.00 C ATOM 91 CE1 PHE A 9 -4.678 -4.310 -2.549 1.00 0.00 C ATOM 92 CE2 PHE A 9 -2.897 -3.875 -4.098 1.00 0.00 C ATOM 93 CZ PHE A 9 -3.590 -4.759 -3.287 1.00 0.00 C ATOM 0 H PHE A 9 -4.741 0.082 -6.052 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.692 -0.781 -3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.758 -0.022 -3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.879 -0.300 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.912 -2.630 -2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.715 -1.854 -4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.228 -4.997 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.064 -4.230 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.285 -5.794 -3.229 1.00 0.00 H new ATOM 100 N SER A 10 -7.081 1.487 -3.070 1.00 0.00 N ATOM 101 CA SER A 10 -7.683 2.816 -2.815 1.00 0.00 C ATOM 102 C SER A 10 -7.893 3.081 -1.318 1.00 0.00 C ATOM 103 O SER A 10 -8.602 2.331 -0.641 1.00 0.00 O ATOM 104 CB SER A 10 -9.054 2.909 -3.497 1.00 0.00 C ATOM 105 OG SER A 10 -9.008 2.388 -4.828 1.00 0.00 O ATOM 0 H SER A 10 -7.385 0.760 -2.422 1.00 0.00 H new ATOM 0 HA SER A 10 -6.988 3.555 -3.214 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.791 2.357 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.380 3.949 -3.522 1.00 0.00 H new ATOM 0 HG SER A 10 -9.475 3.000 -5.435 1.00 0.00 H new ATOM 108 N ILE A 11 -7.271 4.150 -0.822 1.00 0.00 N ATOM 109 CA ILE A 11 -7.481 4.577 0.579 1.00 0.00 C ATOM 110 C ILE A 11 -8.781 5.393 0.715 1.00 0.00 C ATOM 111 O ILE A 11 -9.084 6.257 -0.109 1.00 0.00 O ATOM 112 CB ILE A 11 -6.224 5.274 1.150 1.00 0.00 C ATOM 113 CG1 ILE A 11 -6.117 4.998 2.658 1.00 0.00 C ATOM 114 CG2 ILE A 11 -6.161 6.783 0.866 1.00 0.00 C ATOM 115 CD1 ILE A 11 -4.712 5.235 3.232 1.00 0.00 C ATOM 0 H ILE A 11 -6.625 4.735 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.623 3.695 1.203 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.368 4.845 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.827 5.634 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.409 3.966 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.250 7.197 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.160 6.951 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.028 7.273 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.714 5.020 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.999 4.580 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.424 6.274 3.072 1.00 0.00 H new ATOM 117 N ASP A 12 -9.457 5.191 1.841 1.00 0.00 N ATOM 118 CA ASP A 12 -10.654 5.970 2.225 1.00 0.00 C ATOM 119 C ASP A 12 -10.383 7.468 2.469 1.00 0.00 C ATOM 120 O ASP A 12 -11.287 8.282 2.320 1.00 0.00 O ATOM 121 CB ASP A 12 -11.268 5.359 3.489 1.00 0.00 C ATOM 122 CG ASP A 12 -12.782 5.194 3.352 1.00 0.00 C ATOM 123 OD1 ASP A 12 -13.175 4.111 2.871 1.00 0.00 O ATOM 124 OD2 ASP A 12 -13.490 6.135 3.770 1.00 0.00 O ATOM 0 H ASP A 12 -9.197 4.480 2.525 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.338 5.916 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.811 4.389 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.046 5.994 4.346 1.00 0.00 H new ATOM 126 N LYS A 13 -9.109 7.795 2.701 1.00 0.00 N ATOM 127 CA LYS A 13 -8.624 9.076 3.257 1.00 0.00 C ATOM 128 C LYS A 13 -9.368 9.408 4.564 1.00 0.00 C ATOM 129 O LYS A 13 -9.999 10.443 4.750 1.00 0.00 O ATOM 130 CB LYS A 13 -8.671 10.189 2.199 1.00 0.00 C ATOM 131 CG LYS A 13 -7.659 11.302 2.480 1.00 0.00 C ATOM 132 CD LYS A 13 -8.270 12.497 3.221 1.00 0.00 C ATOM 133 CE LYS A 13 -7.250 13.190 4.128 1.00 0.00 C ATOM 134 NZ LYS A 13 -6.083 13.707 3.396 1.00 0.00 N ATOM 0 H LYS A 13 -8.346 7.148 2.499 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.572 8.984 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.473 9.761 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.674 10.613 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.837 10.897 3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.234 11.645 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.657 13.214 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.116 12.159 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.738 14.013 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.912 12.486 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.454 14.209 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.568 12.915 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.401 14.363 2.654 1.00 0.00 H new ATOM 139 N PHE A 14 -9.203 8.472 5.495 1.00 0.00 N ATOM 140 CA PHE A 14 -9.834 8.510 6.828 1.00 0.00 C ATOM 141 C PHE A 14 -9.355 9.653 7.750 1.00 0.00 C ATOM 142 O PHE A 14 -10.022 9.931 8.742 1.00 0.00 O ATOM 143 CB PHE A 14 -9.651 7.138 7.489 1.00 0.00 C ATOM 144 CG PHE A 14 -10.616 6.893 8.657 1.00 0.00 C ATOM 145 CD1 PHE A 14 -11.946 7.302 8.589 1.00 0.00 C ATOM 146 CD2 PHE A 14 -10.138 6.298 9.819 1.00 0.00 C ATOM 147 CE1 PHE A 14 -12.787 7.129 9.680 1.00 0.00 C ATOM 148 CE2 PHE A 14 -10.983 6.116 10.906 1.00 0.00 C ATOM 149 CZ PHE A 14 -12.308 6.533 10.838 1.00 0.00 C ATOM 0 H PHE A 14 -8.619 7.649 5.350 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.890 8.732 6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.794 6.360 6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.626 7.050 7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.324 7.755 7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.108 5.977 9.876 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.814 7.458 9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.610 5.650 11.806 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.963 6.393 11.685 1.00 0.00 H new ATOM 156 N LYS A 15 -8.289 10.331 7.305 1.00 0.00 N ATOM 157 CA LYS A 15 -7.514 11.442 7.910 1.00 0.00 C ATOM 158 C LYS A 15 -6.009 11.119 7.951 1.00 0.00 C ATOM 159 O LYS A 15 -5.220 11.840 7.349 1.00 0.00 O ATOM 160 CB LYS A 15 -7.975 11.875 9.310 1.00 0.00 C ATOM 161 CG LYS A 15 -7.794 13.375 9.549 1.00 0.00 C ATOM 162 CD LYS A 15 -8.968 13.964 10.346 1.00 0.00 C ATOM 163 CE LYS A 15 -9.083 13.456 11.790 1.00 0.00 C ATOM 164 NZ LYS A 15 -7.985 13.956 12.629 1.00 0.00 N ATOM 0 H LYS A 15 -7.893 10.088 6.397 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.707 12.286 7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.025 11.614 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.413 11.320 10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.863 13.549 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.708 13.889 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.869 15.049 10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.896 13.737 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.037 13.772 12.212 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.078 12.366 11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.095 13.593 13.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.076 13.634 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.006 14.996 12.645 1.00 0.00 H new ATOM 169 N CYS A 16 -5.680 9.934 8.479 1.00 0.00 N ATOM 170 CA CYS A 16 -4.291 9.478 8.743 1.00 0.00 C ATOM 171 C CYS A 16 -3.564 10.470 9.689 1.00 0.00 C ATOM 172 O CYS A 16 -4.221 11.288 10.336 1.00 0.00 O ATOM 173 CB CYS A 16 -3.519 9.263 7.428 1.00 0.00 C ATOM 174 SG CYS A 16 -4.245 8.135 6.178 1.00 0.00 S ATOM 0 H CYS A 16 -6.381 9.242 8.744 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.333 8.513 9.248 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.381 10.237 6.959 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.527 8.888 7.681 1.00 0.00 H new ATOM 176 N ASN A 17 -2.233 10.416 9.761 1.00 0.00 N ATOM 177 CA ASN A 17 -1.444 11.295 10.663 1.00 0.00 C ATOM 178 C ASN A 17 -0.171 11.866 10.013 1.00 0.00 C ATOM 179 O ASN A 17 0.086 13.063 10.100 1.00 0.00 O ATOM 180 CB ASN A 17 -1.103 10.597 11.986 1.00 0.00 C ATOM 181 CG ASN A 17 -2.328 10.269 12.846 1.00 0.00 C ATOM 182 OD1 ASN A 17 -2.569 9.123 13.196 1.00 0.00 O ATOM 183 ND2 ASN A 17 -3.166 11.246 13.120 1.00 0.00 N ATOM 0 H ASN A 17 -1.665 9.774 9.208 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.095 12.144 10.873 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.564 9.674 11.771 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.429 11.234 12.559 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.028 11.051 13.630 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.954 12.198 12.823 1.00 0.00 H new ATOM 187 N SER A 18 0.683 10.966 9.533 1.00 0.00 N ATOM 188 CA SER A 18 1.800 11.319 8.631 1.00 0.00 C ATOM 189 C SER A 18 1.529 10.687 7.248 1.00 0.00 C ATOM 190 O SER A 18 0.421 10.206 7.005 1.00 0.00 O ATOM 191 CB SER A 18 3.151 10.908 9.248 1.00 0.00 C ATOM 192 OG SER A 18 3.410 9.508 9.095 1.00 0.00 O ATOM 0 H SER A 18 0.629 9.971 9.752 1.00 0.00 H new ATOM 0 HA SER A 18 1.864 12.399 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.952 11.478 8.777 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.158 11.164 10.308 1.00 0.00 H new ATOM 0 HG SER A 18 4.370 9.340 9.195 1.00 0.00 H new ATOM 195 N GLU A 19 2.591 10.486 6.463 1.00 0.00 N ATOM 196 CA GLU A 19 2.532 10.162 5.020 1.00 0.00 C ATOM 197 C GLU A 19 1.819 11.261 4.211 1.00 0.00 C ATOM 198 O GLU A 19 0.684 11.644 4.481 1.00 0.00 O ATOM 199 CB GLU A 19 1.909 8.789 4.722 1.00 0.00 C ATOM 200 CG GLU A 19 2.805 7.591 5.073 1.00 0.00 C ATOM 201 CD GLU A 19 2.903 7.227 6.560 1.00 0.00 C ATOM 202 OE1 GLU A 19 1.906 7.451 7.268 1.00 0.00 O ATOM 203 OE2 GLU A 19 3.922 6.607 6.936 1.00 0.00 O ATOM 0 H GLU A 19 3.546 10.544 6.816 1.00 0.00 H new ATOM 0 HA GLU A 19 3.572 10.113 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.974 8.701 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.658 8.741 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.438 6.719 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.810 7.796 4.704 1.00 0.00 H new ATOM 205 N ALA A 20 2.538 11.725 3.193 1.00 0.00 N ATOM 206 CA ALA A 20 2.131 12.837 2.302 1.00 0.00 C ATOM 207 C ALA A 20 3.059 12.899 1.075 1.00 0.00 C ATOM 208 O ALA A 20 2.945 12.010 0.239 1.00 0.00 O ATOM 209 CB ALA A 20 2.045 14.178 3.056 1.00 0.00 C ATOM 0 H ALA A 20 3.448 11.335 2.948 1.00 0.00 H new ATOM 0 HA ALA A 20 1.121 12.640 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.744 14.965 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.311 14.098 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.020 14.421 3.479 1.00 0.00 H new ATOM 211 N LYS A 21 4.150 13.666 1.145 1.00 0.00 N ATOM 212 CA LYS A 21 5.107 13.886 0.032 1.00 0.00 C ATOM 213 C LYS A 21 5.613 12.594 -0.637 1.00 0.00 C ATOM 214 O LYS A 21 5.047 12.160 -1.636 1.00 0.00 O ATOM 215 CB LYS A 21 6.272 14.773 0.501 1.00 0.00 C ATOM 216 CG LYS A 21 5.983 16.278 0.463 1.00 0.00 C ATOM 217 CD LYS A 21 4.883 16.730 1.430 1.00 0.00 C ATOM 218 CE LYS A 21 4.707 18.249 1.417 1.00 0.00 C ATOM 219 NZ LYS A 21 5.842 18.926 2.058 1.00 0.00 N ATOM 0 H LYS A 21 4.408 14.169 1.994 1.00 0.00 H new ATOM 0 HA LYS A 21 4.551 14.403 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.537 14.493 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.142 14.567 -0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.900 16.819 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.697 16.556 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.941 16.252 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.128 16.401 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.608 18.596 0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.784 18.514 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.618 19.934 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.026 18.492 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.686 18.832 1.458 1.00 0.00 H new ATOM 224 N TYR A 22 6.575 11.931 0.003 1.00 0.00 N ATOM 225 CA TYR A 22 7.103 10.612 -0.408 1.00 0.00 C ATOM 226 C TYR A 22 6.033 9.531 -0.669 1.00 0.00 C ATOM 227 O TYR A 22 6.123 8.793 -1.644 1.00 0.00 O ATOM 228 CB TYR A 22 8.125 10.142 0.638 1.00 0.00 C ATOM 229 CG TYR A 22 7.573 9.734 2.013 1.00 0.00 C ATOM 230 CD1 TYR A 22 6.529 10.389 2.666 1.00 0.00 C ATOM 231 CD2 TYR A 22 8.087 8.570 2.561 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.988 9.859 3.827 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.536 8.025 3.708 1.00 0.00 C ATOM 234 CZ TYR A 22 6.485 8.672 4.342 1.00 0.00 C ATOM 235 OH TYR A 22 5.883 8.112 5.417 1.00 0.00 O ATOM 0 H TYR A 22 7.025 12.296 0.842 1.00 0.00 H new ATOM 0 HA TYR A 22 7.577 10.753 -1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.668 9.292 0.224 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.851 10.942 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.140 11.313 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.927 8.082 2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.180 10.370 4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.923 7.099 4.108 1.00 0.00 H new ATOM 0 HH TYR A 22 6.285 7.237 5.598 1.00 0.00 H new ATOM 242 N TYR A 23 4.932 9.599 0.080 1.00 0.00 N ATOM 243 CA TYR A 23 3.774 8.703 -0.091 1.00 0.00 C ATOM 244 C TYR A 23 3.142 8.927 -1.476 1.00 0.00 C ATOM 245 O TYR A 23 3.373 8.118 -2.370 1.00 0.00 O ATOM 246 CB TYR A 23 2.780 8.921 1.059 1.00 0.00 C ATOM 247 CG TYR A 23 1.816 7.748 1.264 1.00 0.00 C ATOM 248 CD1 TYR A 23 2.253 6.616 1.943 1.00 0.00 C ATOM 249 CD2 TYR A 23 0.477 7.856 0.905 1.00 0.00 C ATOM 250 CE1 TYR A 23 1.360 5.609 2.285 1.00 0.00 C ATOM 251 CE2 TYR A 23 -0.416 6.843 1.234 1.00 0.00 C ATOM 252 CZ TYR A 23 0.028 5.713 1.910 1.00 0.00 C ATOM 253 OH TYR A 23 -0.819 4.670 2.111 1.00 0.00 O ATOM 0 H TYR A 23 4.812 10.280 0.830 1.00 0.00 H new ATOM 0 HA TYR A 23 4.091 7.661 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.335 9.090 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.203 9.825 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.296 6.519 2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.131 8.728 0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.701 4.748 2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.458 6.934 0.964 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.489 4.650 1.396 1.00 0.00 H new ATOM 260 N LEU A 24 2.640 10.136 -1.728 1.00 0.00 N ATOM 261 CA LEU A 24 2.032 10.495 -3.025 1.00 0.00 C ATOM 262 C LEU A 24 2.990 10.355 -4.225 1.00 0.00 C ATOM 263 O LEU A 24 2.714 9.560 -5.119 1.00 0.00 O ATOM 264 CB LEU A 24 1.316 11.857 -2.956 1.00 0.00 C ATOM 265 CG LEU A 24 2.175 13.105 -2.718 1.00 0.00 C ATOM 266 CD1 LEU A 24 2.649 13.726 -4.035 1.00 0.00 C ATOM 267 CD2 LEU A 24 1.384 14.133 -1.905 1.00 0.00 C ATOM 0 H LEU A 24 2.639 10.896 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 24 1.262 9.749 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.773 11.998 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.573 11.805 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 24 3.060 12.801 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.254 14.608 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.246 12.999 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.785 14.014 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.999 15.017 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.484 14.415 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.105 13.700 -0.944 1.00 0.00 H new ATOM 269 N ASN A 25 4.228 10.802 -4.010 1.00 0.00 N ATOM 270 CA ASN A 25 5.325 10.769 -4.999 1.00 0.00 C ATOM 271 C ASN A 25 5.772 9.350 -5.417 1.00 0.00 C ATOM 272 O ASN A 25 6.420 9.189 -6.449 1.00 0.00 O ATOM 273 CB ASN A 25 6.506 11.539 -4.391 1.00 0.00 C ATOM 274 CG ASN A 25 7.547 12.005 -5.413 1.00 0.00 C ATOM 275 OD1 ASN A 25 7.259 12.695 -6.380 1.00 0.00 O ATOM 276 ND2 ASN A 25 8.810 11.776 -5.125 1.00 0.00 N ATOM 0 H ASN A 25 4.511 11.210 -3.119 1.00 0.00 H new ATOM 0 HA ASN A 25 4.959 11.225 -5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.122 12.409 -3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.997 10.905 -3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.546 12.174 -5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.053 11.201 -4.319 1.00 0.00 H new ATOM 280 N ILE A 26 5.570 8.375 -4.528 1.00 0.00 N ATOM 281 CA ILE A 26 6.075 6.997 -4.708 1.00 0.00 C ATOM 282 C ILE A 26 4.988 5.886 -4.715 1.00 0.00 C ATOM 283 O ILE A 26 4.954 5.097 -5.656 1.00 0.00 O ATOM 284 CB ILE A 26 7.284 6.820 -3.755 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.488 7.629 -4.252 1.00 0.00 C ATOM 286 CG2 ILE A 26 7.774 5.391 -3.563 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.837 8.788 -3.320 1.00 0.00 C ATOM 0 H ILE A 26 5.052 8.511 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 26 6.437 6.854 -5.726 1.00 0.00 H new ATOM 0 HB ILE A 26 6.899 7.169 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.351 6.970 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.274 8.019 -5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.622 5.386 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.969 4.783 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.082 4.980 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.696 9.328 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.985 9.464 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.079 8.399 -2.331 1.00 0.00 H new ATOM 289 N ILE A 27 4.105 5.819 -3.713 1.00 0.00 N ATOM 290 CA ILE A 27 2.967 4.858 -3.706 1.00 0.00 C ATOM 291 C ILE A 27 1.768 5.292 -4.579 1.00 0.00 C ATOM 292 O ILE A 27 1.083 4.436 -5.140 1.00 0.00 O ATOM 293 CB ILE A 27 2.471 4.472 -2.290 1.00 0.00 C ATOM 294 CG1 ILE A 27 1.532 3.249 -2.381 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.848 5.654 -1.527 1.00 0.00 C ATOM 296 CD1 ILE A 27 0.805 2.811 -1.107 1.00 0.00 C ATOM 0 H ILE A 27 4.146 6.416 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 27 3.404 3.968 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 27 3.338 4.190 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.779 3.461 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.118 2.403 -2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.520 5.319 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.589 6.445 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.992 6.036 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.183 1.942 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.536 2.552 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.177 3.626 -0.748 1.00 0.00 H new ATOM 298 N GLU A 28 1.440 6.585 -4.543 1.00 0.00 N ATOM 299 CA GLU A 28 0.237 7.121 -5.210 1.00 0.00 C ATOM 300 C GLU A 28 0.457 7.215 -6.727 1.00 0.00 C ATOM 301 O GLU A 28 0.786 8.247 -7.307 1.00 0.00 O ATOM 302 CB GLU A 28 -0.196 8.410 -4.503 1.00 0.00 C ATOM 303 CG GLU A 28 -1.379 9.159 -5.128 1.00 0.00 C ATOM 304 CD GLU A 28 -0.950 10.225 -6.144 1.00 0.00 C ATOM 305 OE1 GLU A 28 -0.045 11.021 -5.804 1.00 0.00 O ATOM 306 OE2 GLU A 28 -1.678 10.345 -7.152 1.00 0.00 O ATOM 0 H GLU A 28 1.992 7.291 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.612 6.444 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.451 8.166 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.658 9.086 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.036 8.442 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.960 9.633 -4.337 1.00 0.00 H new ATOM 308 N GLY A 29 0.251 6.032 -7.298 1.00 0.00 N ATOM 309 CA GLY A 29 0.513 5.696 -8.705 1.00 0.00 C ATOM 310 C GLY A 29 0.856 4.200 -8.773 1.00 0.00 C ATOM 311 O GLY A 29 0.431 3.424 -7.916 1.00 0.00 O ATOM 0 H GLY A 29 -0.120 5.240 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.360 5.916 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.336 6.295 -9.094 1.00 0.00 H new ATOM 313 N GLU A 30 1.676 3.857 -9.759 1.00 0.00 N ATOM 314 CA GLU A 30 2.022 2.445 -10.037 1.00 0.00 C ATOM 315 C GLU A 30 3.519 2.106 -10.093 1.00 0.00 C ATOM 316 O GLU A 30 4.302 2.737 -10.797 1.00 0.00 O ATOM 317 CB GLU A 30 1.291 1.910 -11.274 1.00 0.00 C ATOM 318 CG GLU A 30 1.512 2.719 -12.559 1.00 0.00 C ATOM 319 CD GLU A 30 0.548 2.314 -13.679 1.00 0.00 C ATOM 320 OE1 GLU A 30 0.295 1.098 -13.837 1.00 0.00 O ATOM 321 OE2 GLU A 30 0.122 3.240 -14.403 1.00 0.00 O ATOM 0 H GLU A 30 2.120 4.528 -10.386 1.00 0.00 H new ATOM 0 HA GLU A 30 1.664 1.924 -9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.610 0.883 -11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.222 1.880 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.388 3.780 -12.343 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.538 2.581 -12.900 1.00 0.00 H new ATOM 323 N TRP A 31 3.832 1.053 -9.355 1.00 0.00 N ATOM 324 CA TRP A 31 5.174 0.425 -9.322 1.00 0.00 C ATOM 325 C TRP A 31 5.431 -0.408 -10.583 1.00 0.00 C ATOM 326 O TRP A 31 4.717 -1.372 -10.835 1.00 0.00 O ATOM 327 CB TRP A 31 5.294 -0.462 -8.087 1.00 0.00 C ATOM 328 CG TRP A 31 5.272 0.401 -6.835 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.194 0.889 -6.226 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.392 0.943 -6.218 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.573 1.708 -5.244 1.00 0.00 N ATOM 332 CE2 TRP A 31 5.895 1.756 -5.214 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.750 0.766 -6.399 1.00 0.00 C ATOM 334 CZ2 TRP A 31 6.789 2.396 -4.362 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.643 1.405 -5.543 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.153 2.231 -4.539 1.00 0.00 C ATOM 0 H TRP A 31 3.158 0.590 -8.745 1.00 0.00 H new ATOM 0 HA TRP A 31 5.920 1.219 -9.282 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.474 -1.179 -8.061 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.219 -1.037 -8.128 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.172 0.658 -6.486 1.00 0.00 H new ATOM 0 HE1 TRP A 31 3.946 2.214 -4.618 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.116 0.137 -7.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.420 3.021 -3.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.707 1.260 -5.658 1.00 0.00 H new ATOM 0 HH2 TRP A 31 8.843 2.750 -3.890 1.00 0.00 H new ATOM 344 N HIS A 32 6.597 -0.150 -11.166 1.00 0.00 N ATOM 345 CA HIS A 32 7.004 -0.642 -12.507 1.00 0.00 C ATOM 346 C HIS A 32 6.146 -0.052 -13.643 1.00 0.00 C ATOM 347 O HIS A 32 4.925 -0.215 -13.633 1.00 0.00 O ATOM 348 CB HIS A 32 6.998 -2.172 -12.644 1.00 0.00 C ATOM 349 CG HIS A 32 8.330 -2.855 -12.321 1.00 0.00 C ATOM 350 ND1 HIS A 32 8.461 -4.121 -11.924 1.00 0.00 N ATOM 351 CD2 HIS A 32 9.536 -2.418 -12.676 1.00 0.00 C ATOM 352 CE1 HIS A 32 9.736 -4.466 -12.054 1.00 0.00 C ATOM 353 NE2 HIS A 32 10.403 -3.412 -12.526 1.00 0.00 N ATOM 0 H HIS A 32 7.314 0.421 -10.719 1.00 0.00 H new ATOM 0 HA HIS A 32 8.033 -0.295 -12.601 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.230 -2.578 -11.986 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.713 -2.429 -13.664 1.00 0.00 H new ATOM 0 HD1 HIS A 32 7.711 -4.721 -11.580 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.770 -1.424 -13.027 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.159 -5.431 -11.819 1.00 0.00 H new ATOM 356 N PRO A 33 6.791 0.564 -14.642 1.00 0.00 N ATOM 357 CA PRO A 33 6.107 1.006 -15.875 1.00 0.00 C ATOM 358 C PRO A 33 5.754 -0.207 -16.759 1.00 0.00 C ATOM 359 O PRO A 33 6.593 -0.745 -17.471 1.00 0.00 O ATOM 360 CB PRO A 33 7.081 1.991 -16.528 1.00 0.00 C ATOM 361 CG PRO A 33 8.455 1.506 -16.064 1.00 0.00 C ATOM 362 CD PRO A 33 8.199 1.006 -14.642 1.00 0.00 C ATOM 0 HA PRO A 33 5.149 1.493 -15.693 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.997 1.976 -17.615 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.889 3.015 -16.208 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.837 0.712 -16.705 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.190 2.310 -16.080 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.870 0.187 -14.385 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.365 1.796 -13.910 1.00 0.00 H new ATOM 363 N GLN A 34 4.633 -0.814 -16.371 1.00 0.00 N ATOM 364 CA GLN A 34 3.949 -1.927 -17.080 1.00 0.00 C ATOM 365 C GLN A 34 4.781 -3.213 -17.308 1.00 0.00 C ATOM 366 O GLN A 34 4.304 -4.125 -17.985 1.00 0.00 O ATOM 367 CB GLN A 34 3.380 -1.394 -18.403 1.00 0.00 C ATOM 368 CG GLN A 34 2.359 -0.272 -18.168 1.00 0.00 C ATOM 369 CD GLN A 34 2.352 0.767 -19.295 1.00 0.00 C ATOM 370 OE1 GLN A 34 3.344 1.063 -19.944 1.00 0.00 O ATOM 371 NE2 GLN A 34 1.233 1.433 -19.472 1.00 0.00 N ATOM 0 H GLN A 34 4.145 -0.541 -15.518 1.00 0.00 H new ATOM 0 HA GLN A 34 3.158 -2.262 -16.409 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.193 -1.022 -19.026 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.906 -2.209 -18.951 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.364 -0.706 -18.073 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.582 0.224 -17.223 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.403 1.188 -18.932 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.194 2.194 -20.150 1.00 0.00 H new ATOM 375 N ASP A 35 5.770 -3.412 -16.432 1.00 0.00 N ATOM 376 CA ASP A 35 6.794 -4.486 -16.516 1.00 0.00 C ATOM 377 C ASP A 35 6.353 -5.897 -16.069 1.00 0.00 C ATOM 378 O ASP A 35 7.163 -6.755 -15.733 1.00 0.00 O ATOM 379 CB ASP A 35 8.034 -4.046 -15.730 1.00 0.00 C ATOM 380 CG ASP A 35 9.250 -3.729 -16.609 1.00 0.00 C ATOM 381 OD1 ASP A 35 9.044 -3.201 -17.722 1.00 0.00 O ATOM 382 OD2 ASP A 35 10.368 -4.019 -16.132 1.00 0.00 O ATOM 0 H ASP A 35 5.894 -2.816 -15.613 1.00 0.00 H new ATOM 0 HA ASP A 35 6.999 -4.605 -17.580 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.784 -3.163 -15.141 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.303 -4.833 -15.026 1.00 0.00 H new ATOM 384 N LEU A 36 5.057 -6.126 -16.222 1.00 0.00 N ATOM 385 CA LEU A 36 4.319 -7.361 -15.896 1.00 0.00 C ATOM 386 C LEU A 36 2.893 -7.149 -16.427 1.00 0.00 C ATOM 387 O LEU A 36 2.165 -6.332 -15.872 1.00 0.00 O ATOM 388 CB LEU A 36 4.319 -7.587 -14.375 1.00 0.00 C ATOM 389 CG LEU A 36 3.526 -8.827 -13.951 1.00 0.00 C ATOM 390 CD1 LEU A 36 4.430 -9.833 -13.237 1.00 0.00 C ATOM 391 CD2 LEU A 36 2.373 -8.397 -13.046 1.00 0.00 C ATOM 0 H LEU A 36 4.440 -5.409 -16.604 1.00 0.00 H new ATOM 0 HA LEU A 36 4.775 -8.243 -16.346 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.348 -7.685 -14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.899 -6.709 -13.883 1.00 0.00 H new ATOM 0 HG LEU A 36 3.125 -9.318 -14.838 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.845 -10.705 -12.945 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.232 -10.142 -13.908 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.859 -9.370 -12.348 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.804 -9.275 -12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.771 -7.897 -12.163 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.721 -7.712 -13.588 1.00 0.00 H new ATOM 393 N ASN A 37 2.773 -7.479 -17.714 1.00 0.00 N ATOM 394 CA ASN A 37 1.518 -7.505 -18.503 1.00 0.00 C ATOM 395 C ASN A 37 0.529 -6.337 -18.262 1.00 0.00 C ATOM 396 O ASN A 37 -0.674 -6.531 -18.110 1.00 0.00 O ATOM 397 CB ASN A 37 0.870 -8.881 -18.283 1.00 0.00 C ATOM 398 CG ASN A 37 0.479 -9.623 -19.571 1.00 0.00 C ATOM 399 OD1 ASN A 37 1.185 -9.413 -20.664 1.00 0.00 O flip ATOM 400 ND2 ASN A 37 -0.403 -10.467 -19.581 1.00 0.00 N flip ATOM 0 H ASN A 37 3.583 -7.751 -18.272 1.00 0.00 H new ATOM 0 HA ASN A 37 1.787 -7.349 -19.548 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.560 -9.506 -17.716 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.022 -8.753 -17.669 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.955 -10.637 -18.741 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.588 -11.002 -20.430 1.00 0.00 H new ATOM 404 N ASP A 38 1.070 -5.114 -18.233 1.00 0.00 N ATOM 405 CA ASP A 38 0.356 -3.864 -17.869 1.00 0.00 C ATOM 406 C ASP A 38 -0.519 -3.930 -16.593 1.00 0.00 C ATOM 407 O ASP A 38 -1.435 -3.132 -16.413 1.00 0.00 O ATOM 408 CB ASP A 38 -0.419 -3.286 -19.068 1.00 0.00 C ATOM 409 CG ASP A 38 -1.539 -4.185 -19.606 1.00 0.00 C ATOM 410 OD1 ASP A 38 -2.673 -4.051 -19.100 1.00 0.00 O ATOM 411 OD2 ASP A 38 -1.237 -4.935 -20.561 1.00 0.00 O ATOM 0 H ASP A 38 2.049 -4.951 -18.468 1.00 0.00 H new ATOM 0 HA ASP A 38 1.154 -3.172 -17.598 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.850 -2.328 -18.776 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.286 -3.086 -19.875 1.00 0.00 H new ATOM 413 N SER A 39 -0.105 -4.779 -15.655 1.00 0.00 N ATOM 414 CA SER A 39 -0.858 -5.071 -14.418 1.00 0.00 C ATOM 415 C SER A 39 -0.081 -4.843 -13.088 1.00 0.00 C ATOM 416 O SER A 39 -0.104 -5.710 -12.210 1.00 0.00 O ATOM 417 CB SER A 39 -1.388 -6.503 -14.581 1.00 0.00 C ATOM 418 OG SER A 39 -0.335 -7.465 -14.686 1.00 0.00 O ATOM 0 H SER A 39 0.772 -5.294 -15.725 1.00 0.00 H new ATOM 0 HA SER A 39 -1.669 -4.351 -14.309 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.021 -6.752 -13.729 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.015 -6.556 -15.471 1.00 0.00 H new ATOM 0 HG SER A 39 0.403 -7.086 -15.208 1.00 0.00 H new ATOM 421 N PRO A 40 0.492 -3.645 -12.867 1.00 0.00 N ATOM 422 CA PRO A 40 1.386 -3.345 -11.722 1.00 0.00 C ATOM 423 C PRO A 40 0.623 -3.126 -10.393 1.00 0.00 C ATOM 424 O PRO A 40 -0.509 -3.582 -10.233 1.00 0.00 O ATOM 425 CB PRO A 40 2.128 -2.072 -12.161 1.00 0.00 C ATOM 426 CG PRO A 40 1.816 -1.898 -13.645 1.00 0.00 C ATOM 427 CD PRO A 40 0.398 -2.445 -13.720 1.00 0.00 C ATOM 0 HA PRO A 40 2.053 -4.180 -11.506 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.794 -1.207 -11.587 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.201 -2.169 -11.996 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.871 -0.855 -13.957 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.506 -2.456 -14.278 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.336 -1.732 -13.343 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.108 -2.691 -14.742 1.00 0.00 H new ATOM 428 N LEU A 41 1.261 -2.410 -9.462 1.00 0.00 N ATOM 429 CA LEU A 41 0.678 -1.990 -8.168 1.00 0.00 C ATOM 430 C LEU A 41 0.323 -0.491 -8.224 1.00 0.00 C ATOM 431 O LEU A 41 1.213 0.354 -8.124 1.00 0.00 O ATOM 432 CB LEU A 41 1.679 -2.235 -7.024 1.00 0.00 C ATOM 433 CG LEU A 41 1.111 -1.855 -5.647 1.00 0.00 C ATOM 434 CD1 LEU A 41 0.368 -3.029 -5.021 1.00 0.00 C ATOM 435 CD2 LEU A 41 2.190 -1.352 -4.690 1.00 0.00 C ATOM 0 H LEU A 41 2.223 -2.094 -9.583 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.222 -2.576 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.966 -3.287 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.585 -1.659 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 41 0.411 -1.036 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.024 -2.734 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.456 -3.325 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.052 -3.868 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.737 -1.097 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.937 -2.132 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.667 -0.468 -5.112 1.00 0.00 H new ATOM 437 N LYS A 42 -0.963 -0.209 -8.402 1.00 0.00 N ATOM 438 CA LYS A 42 -1.481 1.174 -8.463 1.00 0.00 C ATOM 439 C LYS A 42 -2.477 1.468 -7.332 1.00 0.00 C ATOM 440 O LYS A 42 -3.494 0.796 -7.171 1.00 0.00 O ATOM 441 CB LYS A 42 -2.089 1.492 -9.835 1.00 0.00 C ATOM 442 CG LYS A 42 -2.206 3.012 -10.031 1.00 0.00 C ATOM 443 CD LYS A 42 -2.293 3.421 -11.504 1.00 0.00 C ATOM 444 CE LYS A 42 -3.709 3.364 -12.083 1.00 0.00 C ATOM 445 NZ LYS A 42 -4.516 4.505 -11.625 1.00 0.00 N ATOM 0 H LYS A 42 -1.683 -0.923 -8.509 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.626 1.835 -8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.469 1.064 -10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.073 1.031 -9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.091 3.373 -9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.344 3.499 -9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.908 4.435 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.645 2.769 -12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.660 3.363 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.190 2.432 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.454 4.469 -12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.623 4.462 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.042 5.393 -11.887 1.00 0.00 H new ATOM 450 N PHE A 43 -2.076 2.425 -6.504 1.00 0.00 N ATOM 451 CA PHE A 43 -2.897 2.927 -5.384 1.00 0.00 C ATOM 452 C PHE A 43 -3.170 4.438 -5.473 1.00 0.00 C ATOM 453 O PHE A 43 -2.280 5.239 -5.753 1.00 0.00 O ATOM 454 CB PHE A 43 -2.235 2.516 -4.061 1.00 0.00 C ATOM 455 CG PHE A 43 -2.727 3.284 -2.829 1.00 0.00 C ATOM 456 CD1 PHE A 43 -2.041 4.438 -2.481 1.00 0.00 C ATOM 457 CD2 PHE A 43 -3.715 2.786 -1.987 1.00 0.00 C ATOM 458 CE1 PHE A 43 -2.302 5.063 -1.273 1.00 0.00 C ATOM 459 CE2 PHE A 43 -3.984 3.417 -0.780 1.00 0.00 C ATOM 460 CZ PHE A 43 -3.268 4.553 -0.418 1.00 0.00 C ATOM 0 H PHE A 43 -1.168 2.884 -6.582 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.885 2.470 -5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.407 1.452 -3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.158 2.655 -4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.302 4.850 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.274 1.907 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.752 5.950 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.748 3.027 -0.124 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.464 5.037 0.527 1.00 0.00 H new ATOM 467 N ILE A 44 -4.400 4.771 -5.099 1.00 0.00 N ATOM 468 CA ILE A 44 -4.922 6.155 -5.061 1.00 0.00 C ATOM 469 C ILE A 44 -5.425 6.557 -3.652 1.00 0.00 C ATOM 470 O ILE A 44 -5.731 5.710 -2.807 1.00 0.00 O ATOM 471 CB ILE A 44 -5.979 6.296 -6.184 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.318 7.750 -6.535 1.00 0.00 C ATOM 473 CG2 ILE A 44 -7.260 5.502 -5.904 1.00 0.00 C ATOM 474 CD1 ILE A 44 -5.172 8.459 -7.265 1.00 0.00 C ATOM 0 H ILE A 44 -5.088 4.078 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.122 6.870 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.497 5.859 -7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.211 7.771 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.555 8.295 -5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.961 5.641 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.018 4.443 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.712 5.856 -4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.464 9.485 -7.490 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.285 8.465 -6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.951 7.932 -8.193 1.00 0.00 H new ATOM 476 N LEU A 45 -5.569 7.867 -3.460 1.00 0.00 N ATOM 477 CA LEU A 45 -6.060 8.471 -2.203 1.00 0.00 C ATOM 478 C LEU A 45 -7.423 9.145 -2.403 1.00 0.00 C ATOM 479 O LEU A 45 -7.653 9.751 -3.448 1.00 0.00 O ATOM 480 CB LEU A 45 -5.083 9.512 -1.640 1.00 0.00 C ATOM 481 CG LEU A 45 -3.921 8.903 -0.844 1.00 0.00 C ATOM 482 CD1 LEU A 45 -2.745 8.522 -1.741 1.00 0.00 C ATOM 483 CD2 LEU A 45 -3.482 9.856 0.267 1.00 0.00 C ATOM 0 H LEU A 45 -5.347 8.557 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.153 7.650 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.678 10.100 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.631 10.200 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.280 7.979 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.947 8.095 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.072 7.788 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.375 9.410 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.657 9.411 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.157 10.800 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.318 10.038 0.942 1.00 0.00 H new ATOM 485 N SER A 46 -8.313 8.869 -1.446 1.00 0.00 N ATOM 486 CA SER A 46 -9.692 9.412 -1.342 1.00 0.00 C ATOM 487 C SER A 46 -10.570 9.074 -2.555 1.00 0.00 C ATOM 488 O SER A 46 -10.112 8.411 -3.483 1.00 0.00 O ATOM 489 CB SER A 46 -9.755 10.924 -1.051 1.00 0.00 C ATOM 490 OG SER A 46 -9.413 11.733 -2.177 1.00 0.00 O ATOM 0 H SER A 46 -8.092 8.232 -0.681 1.00 0.00 H new ATOM 0 HA SER A 46 -10.101 8.899 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.761 11.181 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.080 11.156 -0.227 1.00 0.00 H new ATOM 0 HG SER A 46 -8.906 11.198 -2.822 1.00 0.00 H new ATOM 493 N THR A 47 -11.875 9.302 -2.386 1.00 0.00 N ATOM 494 CA THR A 47 -12.915 9.190 -3.436 1.00 0.00 C ATOM 495 C THR A 47 -12.911 7.812 -4.136 1.00 0.00 C ATOM 496 O THR A 47 -13.561 6.879 -3.671 1.00 0.00 O ATOM 497 CB THR A 47 -12.799 10.378 -4.418 1.00 0.00 C ATOM 498 OG1 THR A 47 -12.734 11.600 -3.676 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.979 10.459 -5.394 1.00 0.00 C ATOM 0 H THR A 47 -12.260 9.581 -1.484 1.00 0.00 H new ATOM 0 HA THR A 47 -13.893 9.250 -2.959 1.00 0.00 H new ATOM 0 HB THR A 47 -11.893 10.222 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.659 12.355 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.843 11.312 -6.059 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.027 9.543 -5.983 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.907 10.579 -4.834 1.00 0.00 H new ATOM 502 N SER A 48 -12.102 7.699 -5.194 1.00 0.00 N ATOM 503 CA SER A 48 -11.940 6.511 -6.065 1.00 0.00 C ATOM 504 C SER A 48 -13.257 5.798 -6.434 1.00 0.00 C ATOM 505 O SER A 48 -13.317 4.576 -6.576 1.00 0.00 O ATOM 506 CB SER A 48 -10.936 5.555 -5.409 1.00 0.00 C ATOM 507 OG SER A 48 -10.496 4.586 -6.364 1.00 0.00 O ATOM 0 H SER A 48 -11.506 8.472 -5.489 1.00 0.00 H new ATOM 0 HA SER A 48 -11.559 6.862 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.083 6.115 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.398 5.056 -4.557 1.00 0.00 H new ATOM 0 HG SER A 48 -11.271 4.218 -6.838 1.00 0.00 H new ATOM 510 N ASP A 49 -14.295 6.617 -6.612 1.00 0.00 N ATOM 511 CA ASP A 49 -15.710 6.243 -6.836 1.00 0.00 C ATOM 512 C ASP A 49 -16.376 5.509 -5.651 1.00 0.00 C ATOM 513 O ASP A 49 -17.566 5.701 -5.423 1.00 0.00 O ATOM 514 CB ASP A 49 -15.879 5.469 -8.154 1.00 0.00 C ATOM 515 CG ASP A 49 -17.314 5.483 -8.695 1.00 0.00 C ATOM 516 OD1 ASP A 49 -17.938 6.565 -8.640 1.00 0.00 O ATOM 517 OD2 ASP A 49 -17.708 4.439 -9.254 1.00 0.00 O ATOM 0 H ASP A 49 -14.171 7.629 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.249 7.187 -6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.213 5.895 -8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.567 4.436 -8.001 1.00 0.00 H new ATOM 519 N ASP A 50 -15.618 4.641 -4.976 1.00 0.00 N ATOM 520 CA ASP A 50 -16.014 3.933 -3.738 1.00 0.00 C ATOM 521 C ASP A 50 -14.788 3.255 -3.091 1.00 0.00 C ATOM 522 O ASP A 50 -14.366 2.174 -3.500 1.00 0.00 O ATOM 523 CB ASP A 50 -17.111 2.898 -4.052 1.00 0.00 C ATOM 524 CG ASP A 50 -17.771 2.288 -2.810 1.00 0.00 C ATOM 525 OD1 ASP A 50 -17.915 3.025 -1.807 1.00 0.00 O ATOM 526 OD2 ASP A 50 -18.163 1.106 -2.908 1.00 0.00 O ATOM 0 H ASP A 50 -14.676 4.397 -5.281 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.414 4.657 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.879 3.373 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.678 2.097 -4.651 1.00 0.00 H new ATOM 528 N SER A 51 -14.151 3.985 -2.181 1.00 0.00 N ATOM 529 CA SER A 51 -12.966 3.509 -1.427 1.00 0.00 C ATOM 530 C SER A 51 -13.293 2.450 -0.354 1.00 0.00 C ATOM 531 O SER A 51 -14.445 2.260 0.027 1.00 0.00 O ATOM 532 CB SER A 51 -12.198 4.700 -0.842 1.00 0.00 C ATOM 533 OG SER A 51 -13.041 5.508 -0.017 1.00 0.00 O ATOM 0 H SER A 51 -14.435 4.933 -1.934 1.00 0.00 H new ATOM 0 HA SER A 51 -12.325 2.992 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.352 4.338 -0.257 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.790 5.305 -1.652 1.00 0.00 H new ATOM 0 HG SER A 51 -12.837 6.454 -0.169 1.00 0.00 H new ATOM 536 N ASP A 52 -12.295 1.609 -0.073 1.00 0.00 N ATOM 537 CA ASP A 52 -12.446 0.446 0.838 1.00 0.00 C ATOM 538 C ASP A 52 -11.415 0.232 1.970 1.00 0.00 C ATOM 539 O ASP A 52 -11.644 -0.595 2.857 1.00 0.00 O ATOM 540 CB ASP A 52 -12.592 -0.834 0.009 1.00 0.00 C ATOM 541 CG ASP A 52 -13.959 -0.950 -0.676 1.00 0.00 C ATOM 542 OD1 ASP A 52 -14.961 -1.011 0.064 1.00 0.00 O ATOM 543 OD2 ASP A 52 -13.928 -1.211 -1.898 1.00 0.00 O ATOM 0 H ASP A 52 -11.358 1.705 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.344 0.700 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.809 -0.861 -0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.441 -1.699 0.655 1.00 0.00 H new ATOM 545 N TYR A 53 -10.196 0.732 1.771 1.00 0.00 N ATOM 546 CA TYR A 53 -9.154 0.730 2.822 1.00 0.00 C ATOM 547 C TYR A 53 -9.346 1.824 3.878 1.00 0.00 C ATOM 548 O TYR A 53 -9.276 3.013 3.568 1.00 0.00 O ATOM 549 CB TYR A 53 -7.756 0.902 2.221 1.00 0.00 C ATOM 550 CG TYR A 53 -7.073 -0.411 1.839 1.00 0.00 C ATOM 551 CD1 TYR A 53 -7.121 -1.517 2.678 1.00 0.00 C ATOM 552 CD2 TYR A 53 -6.316 -0.457 0.678 1.00 0.00 C ATOM 553 CE1 TYR A 53 -6.442 -2.679 2.341 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.617 -1.607 0.350 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.716 -2.732 1.160 1.00 0.00 C ATOM 556 OH TYR A 53 -5.324 -3.935 0.681 1.00 0.00 O ATOM 0 H TYR A 53 -9.895 1.148 0.890 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.252 -0.241 3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.829 1.532 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.127 1.431 2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.689 -1.472 3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.271 0.405 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.478 -3.538 2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.996 -1.629 -0.533 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.193 -3.874 -0.288 1.00 0.00 H new ATOM 563 N ILE A 54 -9.344 1.389 5.131 1.00 0.00 N ATOM 564 CA ILE A 54 -9.431 2.308 6.283 1.00 0.00 C ATOM 565 C ILE A 54 -8.005 2.517 6.818 1.00 0.00 C ATOM 566 O ILE A 54 -7.284 1.565 7.123 1.00 0.00 O ATOM 567 CB ILE A 54 -10.342 1.787 7.408 1.00 0.00 C ATOM 568 CG1 ILE A 54 -11.650 1.176 6.878 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.668 2.963 8.344 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.346 0.281 7.908 1.00 0.00 C ATOM 0 H ILE A 54 -9.283 0.404 5.387 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.878 3.243 5.944 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.813 0.992 7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.327 1.978 6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.437 0.593 5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.314 2.617 9.151 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.744 3.361 8.764 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.177 3.745 7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.263 -0.122 7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.683 -0.539 8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.588 0.867 8.795 1.00 0.00 H new ATOM 572 N CYS A 55 -7.600 3.781 6.739 1.00 0.00 N ATOM 573 CA CYS A 55 -6.292 4.266 7.225 1.00 0.00 C ATOM 574 C CYS A 55 -6.250 4.164 8.756 1.00 0.00 C ATOM 575 O CYS A 55 -6.902 4.946 9.442 1.00 0.00 O ATOM 576 CB CYS A 55 -6.079 5.721 6.787 1.00 0.00 C ATOM 577 SG CYS A 55 -4.359 6.291 7.044 1.00 0.00 S ATOM 0 H CYS A 55 -8.175 4.518 6.330 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.496 3.654 6.801 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.337 5.820 5.733 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.758 6.367 7.343 1.00 0.00 H new ATOM 579 N LYS A 56 -5.645 3.077 9.228 1.00 0.00 N ATOM 580 CA LYS A 56 -5.503 2.801 10.671 1.00 0.00 C ATOM 581 C LYS A 56 -4.623 3.858 11.358 1.00 0.00 C ATOM 582 O LYS A 56 -5.138 4.785 11.974 1.00 0.00 O ATOM 583 CB LYS A 56 -4.964 1.383 10.904 1.00 0.00 C ATOM 584 CG LYS A 56 -5.914 0.516 11.730 1.00 0.00 C ATOM 585 CD LYS A 56 -6.116 0.997 13.169 1.00 0.00 C ATOM 586 CE LYS A 56 -7.280 0.262 13.845 1.00 0.00 C ATOM 587 NZ LYS A 56 -7.084 -1.197 13.882 1.00 0.00 N ATOM 0 H LYS A 56 -5.237 2.359 8.629 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.493 2.860 11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.787 0.904 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.001 1.444 11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.883 0.482 11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.531 -0.504 11.751 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.201 0.837 13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.310 2.070 13.172 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.398 0.635 14.862 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.205 0.487 13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.827 -1.632 14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.134 -1.579 12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.153 -1.412 14.292 1.00 0.00 H new ATOM 592 N TYR A 57 -3.312 3.746 11.142 1.00 0.00 N ATOM 593 CA TYR A 57 -2.306 4.649 11.734 1.00 0.00 C ATOM 594 C TYR A 57 -0.933 4.451 11.078 1.00 0.00 C ATOM 595 O TYR A 57 -0.697 3.523 10.298 1.00 0.00 O ATOM 596 CB TYR A 57 -2.232 4.487 13.265 1.00 0.00 C ATOM 597 CG TYR A 57 -1.524 3.217 13.746 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.090 1.964 13.549 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.247 3.324 14.281 1.00 0.00 C ATOM 600 CE1 TYR A 57 -1.371 0.818 13.856 1.00 0.00 C ATOM 601 CE2 TYR A 57 0.468 2.183 14.606 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.086 0.930 14.381 1.00 0.00 C ATOM 603 OH TYR A 57 0.675 -0.173 14.593 1.00 0.00 O ATOM 0 H TYR A 57 -2.908 3.022 10.547 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.622 5.673 11.535 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.718 5.352 13.683 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.246 4.494 13.666 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.092 1.882 13.156 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.189 4.298 14.444 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.806 -0.156 13.689 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.456 2.268 15.034 1.00 0.00 H new ATOM 0 HH TYR A 57 1.543 0.094 14.962 1.00 0.00 H new ATOM 610 N ILE A 58 -0.080 5.418 11.375 1.00 0.00 N ATOM 611 CA ILE A 58 1.274 5.528 10.800 1.00 0.00 C ATOM 612 C ILE A 58 2.294 4.806 11.701 1.00 0.00 C ATOM 613 O ILE A 58 2.176 4.797 12.927 1.00 0.00 O ATOM 614 CB ILE A 58 1.628 7.016 10.544 1.00 0.00 C ATOM 615 CG1 ILE A 58 2.023 7.826 11.789 1.00 0.00 C ATOM 616 CG2 ILE A 58 0.476 7.748 9.840 1.00 0.00 C ATOM 617 CD1 ILE A 58 3.539 7.843 12.011 1.00 0.00 C ATOM 0 H ILE A 58 -0.301 6.166 12.032 1.00 0.00 H new ATOM 0 HA ILE A 58 1.307 5.030 9.831 1.00 0.00 H new ATOM 0 HB ILE A 58 2.513 6.962 9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.661 8.849 11.685 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.534 7.403 12.666 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.754 8.789 9.674 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.272 7.270 8.882 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.417 7.706 10.464 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.770 8.427 12.902 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.899 6.823 12.143 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.028 8.291 11.146 1.00 0.00 H new ATOM 619 N ASN A 59 3.324 4.263 11.071 1.00 0.00 N ATOM 620 CA ASN A 59 4.476 3.680 11.782 1.00 0.00 C ATOM 621 C ASN A 59 5.767 4.455 11.494 1.00 0.00 C ATOM 622 O ASN A 59 6.383 4.333 10.433 1.00 0.00 O ATOM 623 CB ASN A 59 4.668 2.195 11.455 1.00 0.00 C ATOM 624 CG ASN A 59 3.721 1.228 12.176 1.00 0.00 C ATOM 625 OD1 ASN A 59 3.476 1.434 13.451 1.00 0.00 O flip ATOM 626 ND2 ASN A 59 3.310 0.220 11.621 1.00 0.00 N flip ATOM 0 H ASN A 59 3.395 4.209 10.055 1.00 0.00 H new ATOM 0 HA ASN A 59 4.252 3.762 12.846 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.547 2.060 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.694 1.918 11.697 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.504 0.067 10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.773 -0.469 12.147 1.00 0.00 H new ATOM 630 N THR A 60 6.153 5.218 12.513 1.00 0.00 N ATOM 631 CA THR A 60 7.436 5.961 12.602 1.00 0.00 C ATOM 632 C THR A 60 8.685 5.045 12.663 1.00 0.00 C ATOM 633 O THR A 60 9.792 5.509 12.915 1.00 0.00 O ATOM 634 CB THR A 60 7.420 6.864 13.851 1.00 0.00 C ATOM 635 OG1 THR A 60 6.078 7.213 14.222 1.00 0.00 O ATOM 636 CG2 THR A 60 8.208 8.156 13.608 1.00 0.00 C ATOM 0 H THR A 60 5.568 5.350 13.338 1.00 0.00 H new ATOM 0 HA THR A 60 7.515 6.547 11.686 1.00 0.00 H new ATOM 0 HB THR A 60 7.886 6.297 14.657 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.097 7.784 15.018 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.180 8.774 14.506 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.243 7.911 13.368 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.763 8.703 12.777 1.00 0.00 H new ATOM 639 N GLU A 61 8.496 3.766 12.340 1.00 0.00 N ATOM 640 CA GLU A 61 9.555 2.739 12.266 1.00 0.00 C ATOM 641 C GLU A 61 10.408 2.990 11.004 1.00 0.00 C ATOM 642 O GLU A 61 11.482 3.578 11.081 1.00 0.00 O ATOM 643 CB GLU A 61 8.888 1.355 12.270 1.00 0.00 C ATOM 644 CG GLU A 61 9.900 0.201 12.279 1.00 0.00 C ATOM 645 CD GLU A 61 9.325 -1.086 11.674 1.00 0.00 C ATOM 646 OE1 GLU A 61 8.691 -0.976 10.602 1.00 0.00 O ATOM 647 OE2 GLU A 61 9.594 -2.155 12.260 1.00 0.00 O ATOM 0 H GLU A 61 7.573 3.396 12.114 1.00 0.00 H new ATOM 0 HA GLU A 61 10.226 2.787 13.124 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.242 1.272 13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.249 1.263 11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.788 0.496 11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.217 0.007 13.304 1.00 0.00 H new ATOM 649 N HIS A 62 9.897 2.545 9.859 1.00 0.00 N ATOM 650 CA HIS A 62 10.509 2.783 8.542 1.00 0.00 C ATOM 651 C HIS A 62 9.483 3.498 7.644 1.00 0.00 C ATOM 652 O HIS A 62 8.778 2.839 6.893 1.00 0.00 O ATOM 653 CB HIS A 62 10.916 1.420 7.969 1.00 0.00 C ATOM 654 CG HIS A 62 12.422 1.325 7.708 1.00 0.00 C ATOM 655 ND1 HIS A 62 13.038 1.678 6.588 1.00 0.00 N ATOM 656 CD2 HIS A 62 13.318 0.747 8.503 1.00 0.00 C ATOM 657 CE1 HIS A 62 14.313 1.309 6.680 1.00 0.00 C ATOM 658 NE2 HIS A 62 14.483 0.734 7.863 1.00 0.00 N ATOM 0 H HIS A 62 9.035 2.001 9.812 1.00 0.00 H new ATOM 0 HA HIS A 62 11.393 3.417 8.609 1.00 0.00 H new ATOM 0 HB2 HIS A 62 10.620 0.634 8.663 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.376 1.244 7.038 1.00 0.00 H new ATOM 0 HD1 HIS A 62 12.608 2.151 5.793 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.132 0.357 9.493 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.073 1.452 5.926 1.00 0.00 H new ATOM 661 N LYS A 63 9.145 4.718 8.065 1.00 0.00 N ATOM 662 CA LYS A 63 8.249 5.674 7.359 1.00 0.00 C ATOM 663 C LYS A 63 7.053 5.090 6.567 1.00 0.00 C ATOM 664 O LYS A 63 6.677 5.572 5.499 1.00 0.00 O ATOM 665 CB LYS A 63 9.125 6.595 6.502 1.00 0.00 C ATOM 666 CG LYS A 63 9.719 7.738 7.321 1.00 0.00 C ATOM 667 CD LYS A 63 8.681 8.847 7.517 1.00 0.00 C ATOM 668 CE LYS A 63 8.809 9.521 8.886 1.00 0.00 C ATOM 669 NZ LYS A 63 10.152 10.069 9.123 1.00 0.00 N ATOM 0 H LYS A 63 9.497 5.096 8.945 1.00 0.00 H new ATOM 0 HA LYS A 63 7.723 6.223 8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.930 6.015 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.531 7.004 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.051 7.366 8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.598 8.138 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.798 9.595 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.680 8.429 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.075 10.323 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.573 8.798 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.157 10.601 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.840 9.291 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.411 10.704 8.341 1.00 0.00 H new ATOM 674 N GLN A 64 6.313 4.232 7.255 1.00 0.00 N ATOM 675 CA GLN A 64 5.292 3.348 6.648 1.00 0.00 C ATOM 676 C GLN A 64 3.898 3.521 7.268 1.00 0.00 C ATOM 677 O GLN A 64 3.774 3.951 8.413 1.00 0.00 O ATOM 678 CB GLN A 64 5.725 1.880 6.763 1.00 0.00 C ATOM 679 CG GLN A 64 6.139 1.471 8.179 1.00 0.00 C ATOM 680 CD GLN A 64 6.129 -0.038 8.411 1.00 0.00 C ATOM 681 OE1 GLN A 64 5.730 -0.395 9.609 1.00 0.00 O flip ATOM 682 NE2 GLN A 64 6.323 -0.875 7.543 1.00 0.00 N flip ATOM 0 H GLN A 64 6.396 4.118 8.265 1.00 0.00 H new ATOM 0 HA GLN A 64 5.217 3.639 5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.905 1.241 6.435 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.559 1.702 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.140 1.854 8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.467 1.944 8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.633 -0.585 6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.175 -1.864 7.746 1.00 0.00 H new ATOM 686 N LEU A 65 2.884 3.087 6.529 1.00 0.00 N ATOM 687 CA LEU A 65 1.488 3.160 7.009 1.00 0.00 C ATOM 688 C LEU A 65 0.844 1.764 7.011 1.00 0.00 C ATOM 689 O LEU A 65 1.051 0.963 6.096 1.00 0.00 O ATOM 690 CB LEU A 65 0.708 4.163 6.149 1.00 0.00 C ATOM 691 CG LEU A 65 -0.538 4.737 6.840 1.00 0.00 C ATOM 692 CD1 LEU A 65 -0.827 6.130 6.280 1.00 0.00 C ATOM 693 CD2 LEU A 65 -1.775 3.871 6.595 1.00 0.00 C ATOM 0 H LEU A 65 2.989 2.681 5.599 1.00 0.00 H new ATOM 0 HA LEU A 65 1.468 3.514 8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.370 4.984 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.405 3.675 5.223 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.334 4.768 7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.711 6.542 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.027 6.781 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.004 6.061 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.634 4.312 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.974 3.815 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.600 2.868 6.985 1.00 0.00 H new ATOM 695 N THR A 66 0.051 1.544 8.053 1.00 0.00 N ATOM 696 CA THR A 66 -0.687 0.281 8.272 1.00 0.00 C ATOM 697 C THR A 66 -2.194 0.564 8.160 1.00 0.00 C ATOM 698 O THR A 66 -2.726 1.472 8.801 1.00 0.00 O ATOM 699 CB THR A 66 -0.334 -0.300 9.651 1.00 0.00 C ATOM 700 OG1 THR A 66 1.087 -0.258 9.822 1.00 0.00 O ATOM 701 CG2 THR A 66 -0.798 -1.753 9.783 1.00 0.00 C ATOM 0 H THR A 66 -0.107 2.238 8.784 1.00 0.00 H new ATOM 0 HA THR A 66 -0.406 -0.455 7.518 1.00 0.00 H new ATOM 0 HB THR A 66 -0.839 0.296 10.411 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.410 -1.142 10.095 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.532 -2.132 10.770 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.879 -1.803 9.654 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.313 -2.361 9.019 1.00 0.00 H new ATOM 704 N LEU A 67 -2.811 -0.148 7.225 1.00 0.00 N ATOM 705 CA LEU A 67 -4.237 0.003 6.858 1.00 0.00 C ATOM 706 C LEU A 67 -5.008 -1.328 6.814 1.00 0.00 C ATOM 707 O LEU A 67 -4.416 -2.377 6.578 1.00 0.00 O ATOM 708 CB LEU A 67 -4.423 0.811 5.554 1.00 0.00 C ATOM 709 CG LEU A 67 -3.634 0.505 4.257 1.00 0.00 C ATOM 710 CD1 LEU A 67 -2.156 0.888 4.341 1.00 0.00 C ATOM 711 CD2 LEU A 67 -3.781 -0.939 3.776 1.00 0.00 C ATOM 0 H LEU A 67 -2.333 -0.867 6.681 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.681 0.580 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.480 0.746 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.219 1.853 5.803 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.101 1.147 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.663 0.647 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.068 1.957 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.682 0.333 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.201 -1.079 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.415 -1.618 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.831 -1.150 3.575 1.00 0.00 H new ATOM 713 N TYR A 68 -6.318 -1.259 7.032 1.00 0.00 N ATOM 714 CA TYR A 68 -7.195 -2.452 7.016 1.00 0.00 C ATOM 715 C TYR A 68 -8.387 -2.327 6.055 1.00 0.00 C ATOM 716 O TYR A 68 -9.002 -1.270 5.927 1.00 0.00 O ATOM 717 CB TYR A 68 -7.646 -2.871 8.426 1.00 0.00 C ATOM 718 CG TYR A 68 -8.483 -1.853 9.214 1.00 0.00 C ATOM 719 CD1 TYR A 68 -8.055 -0.541 9.376 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.679 -2.256 9.790 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.831 0.367 10.075 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.451 -1.354 10.511 1.00 0.00 C ATOM 723 CZ TYR A 68 -10.029 -0.036 10.644 1.00 0.00 C ATOM 724 OH TYR A 68 -10.815 0.891 11.243 1.00 0.00 O ATOM 0 H TYR A 68 -6.810 -0.387 7.225 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.572 -3.255 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.223 -3.791 8.339 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.757 -3.106 9.011 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.111 -0.228 8.954 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.012 -3.277 9.677 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.503 1.391 10.177 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.376 -1.675 10.967 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.621 0.459 11.594 1.00 0.00 H new ATOM 731 N ASN A 69 -8.576 -3.385 5.271 1.00 0.00 N ATOM 732 CA ASN A 69 -9.651 -3.459 4.263 1.00 0.00 C ATOM 733 C ASN A 69 -10.977 -3.964 4.851 1.00 0.00 C ATOM 734 O ASN A 69 -11.099 -5.120 5.260 1.00 0.00 O ATOM 735 CB ASN A 69 -9.243 -4.363 3.093 1.00 0.00 C ATOM 736 CG ASN A 69 -10.004 -4.111 1.783 1.00 0.00 C ATOM 737 OD1 ASN A 69 -11.103 -3.384 1.784 1.00 0.00 O flip ATOM 738 ND2 ASN A 69 -9.569 -4.494 0.709 1.00 0.00 N flip ATOM 0 H ASN A 69 -7.992 -4.220 5.310 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.805 -2.440 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.177 -4.233 2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.391 -5.402 3.387 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.720 -5.058 0.675 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.054 -4.250 -0.154 1.00 0.00 H new ATOM 742 N LYS A 70 -11.970 -3.087 4.742 1.00 0.00 N ATOM 743 CA LYS A 70 -13.356 -3.393 5.152 1.00 0.00 C ATOM 744 C LYS A 70 -14.225 -4.033 4.043 1.00 0.00 C ATOM 745 O LYS A 70 -15.431 -4.179 4.213 1.00 0.00 O ATOM 746 CB LYS A 70 -13.995 -2.088 5.628 1.00 0.00 C ATOM 747 CG LYS A 70 -15.023 -2.334 6.740 1.00 0.00 C ATOM 748 CD LYS A 70 -15.965 -1.142 6.941 1.00 0.00 C ATOM 749 CE LYS A 70 -17.205 -1.191 6.034 1.00 0.00 C ATOM 750 NZ LYS A 70 -16.900 -1.063 4.600 1.00 0.00 N ATOM 0 H LYS A 70 -11.848 -2.145 4.370 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.308 -4.142 5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.219 -1.414 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.480 -1.592 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.610 -3.220 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.501 -2.542 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.285 -1.112 7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.418 -0.219 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.729 -2.132 6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.887 -0.391 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.770 -0.833 4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.202 -0.305 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.511 -1.960 4.246 1.00 0.00 H new ATOM 755 N ASN A 71 -13.600 -4.539 2.978 1.00 0.00 N ATOM 756 CA ASN A 71 -14.338 -5.230 1.893 1.00 0.00 C ATOM 757 C ASN A 71 -14.076 -6.753 1.891 1.00 0.00 C ATOM 758 O ASN A 71 -14.168 -7.438 0.875 1.00 0.00 O ATOM 759 CB ASN A 71 -13.945 -4.592 0.552 1.00 0.00 C ATOM 760 CG ASN A 71 -14.962 -4.843 -0.571 1.00 0.00 C ATOM 761 OD1 ASN A 71 -15.980 -5.500 -0.424 1.00 0.00 O ATOM 762 ND2 ASN A 71 -14.740 -4.240 -1.717 1.00 0.00 N ATOM 0 H ASN A 71 -12.591 -4.489 2.834 1.00 0.00 H new ATOM 0 HA ASN A 71 -15.409 -5.109 2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.828 -3.517 0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.974 -4.981 0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.416 -4.323 -2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.892 -3.689 -1.847 1.00 0.00 H new ATOM 766 N ASN A 72 -13.713 -7.262 3.068 1.00 0.00 N ATOM 767 CA ASN A 72 -13.335 -8.675 3.250 1.00 0.00 C ATOM 768 C ASN A 72 -13.780 -9.190 4.630 1.00 0.00 C ATOM 769 O ASN A 72 -14.712 -9.983 4.720 1.00 0.00 O ATOM 770 CB ASN A 72 -11.822 -8.789 3.036 1.00 0.00 C ATOM 771 CG ASN A 72 -11.381 -10.188 2.608 1.00 0.00 C ATOM 772 OD1 ASN A 72 -11.163 -11.084 3.409 1.00 0.00 O ATOM 773 ND2 ASN A 72 -11.181 -10.354 1.319 1.00 0.00 N ATOM 0 H ASN A 72 -13.671 -6.712 3.926 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.843 -9.307 2.521 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.513 -8.069 2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.309 -8.519 3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.836 -11.247 0.967 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.371 -9.590 0.671 1.00 0.00 H new ATOM 777 N SER A 73 -13.148 -8.657 5.679 1.00 0.00 N ATOM 778 CA SER A 73 -13.465 -8.966 7.095 1.00 0.00 C ATOM 779 C SER A 73 -12.563 -8.153 8.040 1.00 0.00 C ATOM 780 O SER A 73 -13.044 -7.248 8.714 1.00 0.00 O ATOM 781 CB SER A 73 -13.317 -10.460 7.418 1.00 0.00 C ATOM 782 OG SER A 73 -14.212 -10.809 8.472 1.00 0.00 O ATOM 0 H SER A 73 -12.387 -7.986 5.577 1.00 0.00 H new ATOM 0 HA SER A 73 -14.509 -8.691 7.246 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.531 -11.058 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.290 -10.680 7.710 1.00 0.00 H new ATOM 0 HG SER A 73 -14.119 -11.763 8.677 1.00 0.00 H new ATOM 785 N SER A 74 -11.247 -8.350 7.904 1.00 0.00 N ATOM 786 CA SER A 74 -10.228 -7.700 8.766 1.00 0.00 C ATOM 787 C SER A 74 -8.807 -7.847 8.183 1.00 0.00 C ATOM 788 O SER A 74 -7.916 -8.455 8.772 1.00 0.00 O ATOM 789 CB SER A 74 -10.312 -8.349 10.155 1.00 0.00 C ATOM 790 OG SER A 74 -10.439 -7.359 11.177 1.00 0.00 O ATOM 0 H SER A 74 -10.848 -8.964 7.194 1.00 0.00 H new ATOM 0 HA SER A 74 -10.429 -6.630 8.826 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.165 -9.027 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.420 -8.949 10.334 1.00 0.00 H new ATOM 0 HG SER A 74 -10.949 -7.728 11.928 1.00 0.00 H new ATOM 793 N ILE A 75 -8.558 -7.149 7.076 1.00 0.00 N ATOM 794 CA ILE A 75 -7.296 -7.316 6.310 1.00 0.00 C ATOM 795 C ILE A 75 -6.353 -6.131 6.573 1.00 0.00 C ATOM 796 O ILE A 75 -6.463 -5.093 5.923 1.00 0.00 O ATOM 797 CB ILE A 75 -7.547 -7.474 4.793 1.00 0.00 C ATOM 798 CG1 ILE A 75 -8.615 -8.525 4.454 1.00 0.00 C ATOM 799 CG2 ILE A 75 -6.249 -7.739 4.010 1.00 0.00 C ATOM 800 CD1 ILE A 75 -8.360 -9.956 4.946 1.00 0.00 C ATOM 0 H ILE A 75 -9.201 -6.463 6.681 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.827 -8.236 6.657 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.944 -6.511 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.566 -8.188 4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.731 -8.554 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.479 -7.843 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.561 -6.905 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.786 -8.657 4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.187 -10.598 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.432 -10.330 4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.280 -9.958 6.033 1.00 0.00 H new ATOM 802 N VAL A 76 -5.362 -6.384 7.414 1.00 0.00 N ATOM 803 CA VAL A 76 -4.378 -5.351 7.785 1.00 0.00 C ATOM 804 C VAL A 76 -3.068 -5.545 6.993 1.00 0.00 C ATOM 805 O VAL A 76 -2.504 -6.635 6.914 1.00 0.00 O ATOM 806 CB VAL A 76 -4.240 -5.260 9.317 1.00 0.00 C ATOM 807 CG1 VAL A 76 -3.305 -6.286 9.969 1.00 0.00 C ATOM 808 CG2 VAL A 76 -3.913 -3.826 9.734 1.00 0.00 C ATOM 0 H VAL A 76 -5.209 -7.290 7.857 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.727 -4.362 7.489 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.217 -5.539 9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.286 -6.127 11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.665 -7.293 9.757 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.299 -6.168 9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.818 -3.775 10.819 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.975 -3.518 9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.713 -3.161 9.408 1.00 0.00 H new ATOM 810 N ILE A 77 -2.786 -4.516 6.214 1.00 0.00 N ATOM 811 CA ILE A 77 -1.595 -4.427 5.347 1.00 0.00 C ATOM 812 C ILE A 77 -0.677 -3.297 5.842 1.00 0.00 C ATOM 813 O ILE A 77 -1.115 -2.181 6.118 1.00 0.00 O ATOM 814 CB ILE A 77 -2.045 -4.323 3.873 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.511 -5.721 3.428 1.00 0.00 C ATOM 816 CG2 ILE A 77 -0.979 -3.733 2.927 1.00 0.00 C ATOM 817 CD1 ILE A 77 -3.165 -5.819 2.047 1.00 0.00 C ATOM 0 H ILE A 77 -3.385 -3.692 6.156 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.985 -5.329 5.402 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.865 -3.608 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.649 -6.389 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.219 -6.095 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.375 -3.695 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.720 -2.726 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.088 -4.361 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.448 -6.853 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.053 -5.188 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.460 -5.486 1.286 1.00 0.00 H new ATOM 819 N GLU A 78 0.592 -3.670 5.910 1.00 0.00 N ATOM 820 CA GLU A 78 1.689 -2.787 6.348 1.00 0.00 C ATOM 821 C GLU A 78 2.711 -2.686 5.210 1.00 0.00 C ATOM 822 O GLU A 78 3.130 -3.701 4.651 1.00 0.00 O ATOM 823 CB GLU A 78 2.308 -3.357 7.627 1.00 0.00 C ATOM 824 CG GLU A 78 3.144 -2.303 8.357 1.00 0.00 C ATOM 825 CD GLU A 78 3.416 -2.708 9.809 1.00 0.00 C ATOM 826 OE1 GLU A 78 2.439 -2.735 10.593 1.00 0.00 O ATOM 827 OE2 GLU A 78 4.595 -2.989 10.115 1.00 0.00 O ATOM 0 H GLU A 78 0.905 -4.608 5.661 1.00 0.00 H new ATOM 0 HA GLU A 78 1.327 -1.784 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.519 -3.719 8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.934 -4.214 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.090 -2.162 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.623 -1.346 8.337 1.00 0.00 H new ATOM 829 N ILE A 79 2.782 -1.468 4.687 1.00 0.00 N ATOM 830 CA ILE A 79 3.634 -1.136 3.524 1.00 0.00 C ATOM 831 C ILE A 79 4.506 0.102 3.750 1.00 0.00 C ATOM 832 O ILE A 79 4.030 1.128 4.244 1.00 0.00 O ATOM 833 CB ILE A 79 2.794 -0.983 2.239 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.590 -0.043 2.434 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.402 -2.370 1.721 1.00 0.00 C ATOM 836 CD1 ILE A 79 0.759 0.213 1.174 1.00 0.00 C ATOM 0 H ILE A 79 2.255 -0.673 5.049 1.00 0.00 H new ATOM 0 HA ILE A 79 4.314 -1.979 3.400 1.00 0.00 H new ATOM 0 HB ILE A 79 3.401 -0.498 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.940 -0.464 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.952 0.913 2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.808 -2.265 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.302 -2.944 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.816 -2.889 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.065 0.886 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.389 0.667 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.361 -0.731 0.803 1.00 0.00 H new ATOM 838 N PHE A 80 5.742 0.005 3.260 1.00 0.00 N ATOM 839 CA PHE A 80 6.697 1.129 3.301 1.00 0.00 C ATOM 840 C PHE A 80 7.005 1.666 1.904 1.00 0.00 C ATOM 841 O PHE A 80 7.517 0.962 1.037 1.00 0.00 O ATOM 842 CB PHE A 80 7.998 0.794 4.049 1.00 0.00 C ATOM 843 CG PHE A 80 9.010 1.952 4.130 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.603 3.286 4.139 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.367 1.666 4.199 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.534 4.312 4.175 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.297 2.694 4.283 1.00 0.00 C ATOM 848 CZ PHE A 80 10.884 4.018 4.287 1.00 0.00 C ATOM 0 H PHE A 80 6.113 -0.841 2.827 1.00 0.00 H new ATOM 0 HA PHE A 80 6.197 1.913 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.748 0.477 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.475 -0.054 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.549 3.522 4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.701 0.639 4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.208 5.340 4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.350 2.461 4.346 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.609 4.814 4.377 1.00 0.00 H new ATOM 855 N ILE A 81 6.897 2.990 1.873 1.00 0.00 N ATOM 856 CA ILE A 81 7.011 3.868 0.701 1.00 0.00 C ATOM 857 C ILE A 81 8.143 4.872 1.015 1.00 0.00 C ATOM 858 O ILE A 81 7.877 5.838 1.731 1.00 0.00 O ATOM 859 CB ILE A 81 5.652 4.591 0.539 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.466 3.627 0.386 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.648 5.577 -0.629 1.00 0.00 C ATOM 862 CD1 ILE A 81 3.797 3.257 1.714 1.00 0.00 C ATOM 0 H ILE A 81 6.714 3.521 2.724 1.00 0.00 H new ATOM 0 HA ILE A 81 7.240 3.334 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 81 5.525 5.143 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.723 4.080 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.811 2.716 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.671 6.056 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.414 6.336 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.856 5.043 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.969 2.574 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.525 2.774 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.421 4.159 2.196 1.00 0.00 H new ATOM 864 N PRO A 82 9.411 4.546 0.722 1.00 0.00 N ATOM 865 CA PRO A 82 10.511 5.513 0.880 1.00 0.00 C ATOM 866 C PRO A 82 10.700 6.385 -0.376 1.00 0.00 C ATOM 867 O PRO A 82 9.923 7.306 -0.606 1.00 0.00 O ATOM 868 CB PRO A 82 11.726 4.655 1.264 1.00 0.00 C ATOM 869 CG PRO A 82 11.456 3.313 0.590 1.00 0.00 C ATOM 870 CD PRO A 82 9.935 3.169 0.623 1.00 0.00 C ATOM 0 HA PRO A 82 10.319 6.258 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.656 5.099 0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.814 4.548 2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.834 3.299 -0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.944 2.496 1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.568 2.673 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.616 2.566 1.473 1.00 0.00 H new ATOM 871 N ASN A 83 11.691 6.016 -1.185 1.00 0.00 N ATOM 872 CA ASN A 83 12.142 6.626 -2.450 1.00 0.00 C ATOM 873 C ASN A 83 13.363 5.792 -2.901 1.00 0.00 C ATOM 874 O ASN A 83 13.472 4.634 -2.496 1.00 0.00 O ATOM 875 CB ASN A 83 12.508 8.109 -2.241 1.00 0.00 C ATOM 876 CG ASN A 83 12.425 8.968 -3.512 1.00 0.00 C ATOM 877 OD1 ASN A 83 12.384 8.377 -4.692 1.00 0.00 O flip ATOM 878 ND2 ASN A 83 12.311 10.181 -3.460 1.00 0.00 N flip ATOM 0 H ASN A 83 12.260 5.201 -0.954 1.00 0.00 H new ATOM 0 HA ASN A 83 11.361 6.616 -3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.844 8.532 -1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.521 8.168 -1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.340 10.658 -2.559 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.187 10.719 -4.318 1.00 0.00 H new ATOM 882 N ASP A 84 14.232 6.349 -3.752 1.00 0.00 N ATOM 883 CA ASP A 84 15.423 5.676 -4.330 1.00 0.00 C ATOM 884 C ASP A 84 15.164 4.222 -4.786 1.00 0.00 C ATOM 885 O ASP A 84 16.018 3.350 -4.656 1.00 0.00 O ATOM 886 CB ASP A 84 16.620 5.774 -3.366 1.00 0.00 C ATOM 887 CG ASP A 84 17.946 5.340 -4.012 1.00 0.00 C ATOM 888 OD1 ASP A 84 18.175 5.754 -5.170 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.749 4.709 -3.289 1.00 0.00 O ATOM 0 H ASP A 84 14.131 7.312 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 84 15.667 6.215 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.713 6.801 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.427 5.153 -2.491 1.00 0.00 H new ATOM 891 N ASN A 85 13.978 4.030 -5.364 1.00 0.00 N ATOM 892 CA ASN A 85 13.455 2.735 -5.850 1.00 0.00 C ATOM 893 C ASN A 85 13.416 1.688 -4.714 1.00 0.00 C ATOM 894 O ASN A 85 14.401 0.996 -4.475 1.00 0.00 O ATOM 895 CB ASN A 85 14.295 2.237 -7.048 1.00 0.00 C ATOM 896 CG ASN A 85 14.827 3.350 -7.968 1.00 0.00 C ATOM 897 OD1 ASN A 85 13.995 4.281 -8.384 1.00 0.00 O flip ATOM 898 ND2 ASN A 85 15.993 3.403 -8.323 1.00 0.00 N flip ATOM 0 H ASN A 85 13.323 4.797 -5.516 1.00 0.00 H new ATOM 0 HA ASN A 85 12.430 2.881 -6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.140 1.664 -6.668 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.687 1.554 -7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.654 2.691 -8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.307 4.159 -8.931 1.00 0.00 H new ATOM 902 N LYS A 86 12.310 1.664 -3.962 1.00 0.00 N ATOM 903 CA LYS A 86 12.098 0.701 -2.851 1.00 0.00 C ATOM 904 C LYS A 86 10.654 0.768 -2.313 1.00 0.00 C ATOM 905 O LYS A 86 10.102 1.862 -2.194 1.00 0.00 O ATOM 906 CB LYS A 86 13.025 1.085 -1.689 1.00 0.00 C ATOM 907 CG LYS A 86 13.575 -0.094 -0.881 1.00 0.00 C ATOM 908 CD LYS A 86 14.939 -0.514 -1.435 1.00 0.00 C ATOM 909 CE LYS A 86 15.628 -1.541 -0.537 1.00 0.00 C ATOM 910 NZ LYS A 86 16.977 -1.838 -1.040 1.00 0.00 N ATOM 0 H LYS A 86 11.531 2.308 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 86 12.300 -0.300 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.864 1.656 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.481 1.746 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.669 0.185 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.880 -0.933 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.812 -0.932 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.576 0.365 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.689 -1.160 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.037 -2.456 -0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.433 -2.537 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.911 -2.222 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.543 -0.965 -1.052 1.00 0.00 H new ATOM 915 N ILE A 87 10.035 -0.402 -2.156 1.00 0.00 N ATOM 916 CA ILE A 87 8.770 -0.613 -1.406 1.00 0.00 C ATOM 917 C ILE A 87 8.658 -2.077 -0.933 1.00 0.00 C ATOM 918 O ILE A 87 9.098 -3.008 -1.608 1.00 0.00 O ATOM 919 CB ILE A 87 7.515 -0.183 -2.210 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.221 -0.265 -1.378 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.367 -1.017 -3.487 1.00 0.00 C ATOM 922 CD1 ILE A 87 5.023 0.527 -1.913 1.00 0.00 C ATOM 0 H ILE A 87 10.402 -1.266 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 87 8.807 0.035 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 87 7.667 0.862 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.931 -1.313 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.440 0.084 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.479 -0.695 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.247 -0.880 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.269 -2.070 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.171 0.394 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.280 1.585 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.764 0.167 -2.909 1.00 0.00 H new ATOM 924 N LEU A 88 8.043 -2.230 0.233 1.00 0.00 N ATOM 925 CA LEU A 88 7.673 -3.541 0.803 1.00 0.00 C ATOM 926 C LEU A 88 6.170 -3.654 1.101 1.00 0.00 C ATOM 927 O LEU A 88 5.558 -2.705 1.591 1.00 0.00 O ATOM 928 CB LEU A 88 8.499 -3.882 2.052 1.00 0.00 C ATOM 929 CG LEU A 88 8.609 -2.736 3.062 1.00 0.00 C ATOM 930 CD1 LEU A 88 8.322 -3.237 4.480 1.00 0.00 C ATOM 931 CD2 LEU A 88 10.015 -2.133 2.992 1.00 0.00 C ATOM 0 H LEU A 88 7.779 -1.443 0.826 1.00 0.00 H new ATOM 0 HA LEU A 88 7.908 -4.275 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.052 -4.745 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.502 -4.176 1.742 1.00 0.00 H new ATOM 0 HG LEU A 88 7.871 -1.973 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.405 -2.408 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.314 -3.649 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.042 -4.011 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.097 -1.317 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.752 -2.900 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.198 -1.752 1.987 1.00 0.00 H new ATOM 933 N LEU A 89 5.638 -4.824 0.755 1.00 0.00 N ATOM 934 CA LEU A 89 4.227 -5.230 0.938 1.00 0.00 C ATOM 935 C LEU A 89 4.091 -6.389 1.942 1.00 0.00 C ATOM 936 O LEU A 89 4.771 -7.406 1.821 1.00 0.00 O ATOM 937 CB LEU A 89 3.664 -5.586 -0.456 1.00 0.00 C ATOM 938 CG LEU A 89 2.258 -6.192 -0.660 1.00 0.00 C ATOM 939 CD1 LEU A 89 2.210 -7.692 -0.352 1.00 0.00 C ATOM 940 CD2 LEU A 89 1.155 -5.442 0.092 1.00 0.00 C ATOM 0 H LEU A 89 6.197 -5.557 0.318 1.00 0.00 H new ATOM 0 HA LEU A 89 3.649 -4.412 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.696 -4.671 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.371 -6.282 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 89 2.053 -6.067 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.198 -8.064 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.900 -8.221 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.498 -7.860 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.195 -5.922 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.366 -5.461 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.118 -4.409 -0.252 1.00 0.00 H new ATOM 942 N THR A 90 3.243 -6.181 2.948 1.00 0.00 N ATOM 943 CA THR A 90 2.866 -7.237 3.921 1.00 0.00 C ATOM 944 C THR A 90 1.334 -7.339 4.046 1.00 0.00 C ATOM 945 O THR A 90 0.668 -6.325 4.241 1.00 0.00 O ATOM 946 CB THR A 90 3.460 -6.926 5.307 1.00 0.00 C ATOM 947 OG1 THR A 90 4.840 -6.583 5.172 1.00 0.00 O ATOM 948 CG2 THR A 90 3.334 -8.101 6.285 1.00 0.00 C ATOM 0 H THR A 90 2.792 -5.283 3.122 1.00 0.00 H new ATOM 0 HA THR A 90 3.263 -8.184 3.556 1.00 0.00 H new ATOM 0 HB THR A 90 2.889 -6.092 5.716 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.215 -6.384 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.770 -7.824 7.245 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.281 -8.349 6.422 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.861 -8.966 5.884 1.00 0.00 H new ATOM 951 N ILE A 91 0.853 -8.580 4.120 1.00 0.00 N ATOM 952 CA ILE A 91 -0.575 -8.901 4.345 1.00 0.00 C ATOM 953 C ILE A 91 -0.756 -9.737 5.634 1.00 0.00 C ATOM 954 O ILE A 91 0.065 -10.604 5.938 1.00 0.00 O ATOM 955 CB ILE A 91 -1.196 -9.566 3.093 1.00 0.00 C ATOM 956 CG1 ILE A 91 -2.726 -9.651 3.224 1.00 0.00 C ATOM 957 CG2 ILE A 91 -0.580 -10.942 2.784 1.00 0.00 C ATOM 958 CD1 ILE A 91 -3.461 -9.884 1.896 1.00 0.00 C ATOM 0 H ILE A 91 1.443 -9.407 4.026 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.125 -7.973 4.502 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.959 -8.928 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.976 -10.459 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.093 -8.727 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.053 -11.361 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.490 -10.830 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.739 -11.610 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.535 -9.931 2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.245 -9.064 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.126 -10.823 1.455 1.00 0.00 H new ATOM 960 N MET A 92 -1.706 -9.280 6.444 1.00 0.00 N ATOM 961 CA MET A 92 -2.186 -9.946 7.678 1.00 0.00 C ATOM 962 C MET A 92 -3.707 -9.768 7.851 1.00 0.00 C ATOM 963 O MET A 92 -4.331 -8.958 7.165 1.00 0.00 O ATOM 964 CB MET A 92 -1.503 -9.386 8.933 1.00 0.00 C ATOM 965 CG MET A 92 0.001 -9.665 9.012 1.00 0.00 C ATOM 966 SD MET A 92 0.569 -10.132 10.688 1.00 0.00 S ATOM 967 CE MET A 92 0.268 -8.636 11.608 1.00 0.00 C ATOM 0 H MET A 92 -2.190 -8.401 6.263 1.00 0.00 H new ATOM 0 HA MET A 92 -1.938 -11.002 7.567 1.00 0.00 H new ATOM 0 HB2 MET A 92 -1.663 -8.308 8.969 1.00 0.00 H new ATOM 0 HB3 MET A 92 -1.986 -9.809 9.814 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.251 -10.466 8.316 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.545 -8.778 8.687 1.00 0.00 H new ATOM 0 HE1 MET A 92 0.569 -8.780 12.646 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.844 -7.819 11.173 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.794 -8.392 11.569 1.00 0.00 H new ATOM 969 N ASN A 93 -4.297 -10.606 8.697 1.00 0.00 N ATOM 970 CA ASN A 93 -5.728 -10.514 9.054 1.00 0.00 C ATOM 971 C ASN A 93 -5.935 -10.609 10.576 1.00 0.00 C ATOM 972 O ASN A 93 -5.574 -11.608 11.197 1.00 0.00 O ATOM 973 CB ASN A 93 -6.469 -11.627 8.303 1.00 0.00 C ATOM 974 CG ASN A 93 -7.999 -11.610 8.409 1.00 0.00 C ATOM 975 OD1 ASN A 93 -8.617 -11.209 9.384 1.00 0.00 O ATOM 976 ND2 ASN A 93 -8.649 -12.108 7.382 1.00 0.00 N ATOM 0 H ASN A 93 -3.806 -11.371 9.160 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.128 -9.544 8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.198 -11.569 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.110 -12.588 8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.668 -12.159 7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.135 -12.443 6.567 1.00 0.00 H new ATOM 980 N THR A 94 -6.676 -9.636 11.101 1.00 0.00 N ATOM 981 CA THR A 94 -7.040 -9.501 12.535 1.00 0.00 C ATOM 982 C THR A 94 -7.841 -10.714 13.069 1.00 0.00 C ATOM 983 O THR A 94 -7.985 -10.888 14.276 1.00 0.00 O ATOM 984 CB THR A 94 -7.864 -8.221 12.763 1.00 0.00 C ATOM 985 OG1 THR A 94 -7.439 -7.170 11.884 1.00 0.00 O ATOM 986 CG2 THR A 94 -7.763 -7.719 14.208 1.00 0.00 C ATOM 0 H THR A 94 -7.061 -8.884 10.529 1.00 0.00 H new ATOM 0 HA THR A 94 -6.100 -9.451 13.085 1.00 0.00 H new ATOM 0 HB THR A 94 -8.901 -8.485 12.553 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.199 -6.867 11.344 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.360 -6.814 14.321 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.135 -8.487 14.887 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.722 -7.499 14.445 1.00 0.00 H new ATOM 989 N GLU A 95 -8.498 -11.437 12.164 1.00 0.00 N ATOM 990 CA GLU A 95 -9.236 -12.680 12.470 1.00 0.00 C ATOM 991 C GLU A 95 -8.753 -13.928 11.696 1.00 0.00 C ATOM 992 O GLU A 95 -9.503 -14.894 11.542 1.00 0.00 O ATOM 993 CB GLU A 95 -10.734 -12.439 12.235 1.00 0.00 C ATOM 994 CG GLU A 95 -11.488 -12.011 13.501 1.00 0.00 C ATOM 995 CD GLU A 95 -11.118 -10.631 14.062 1.00 0.00 C ATOM 996 OE1 GLU A 95 -10.947 -9.686 13.254 1.00 0.00 O ATOM 997 OE2 GLU A 95 -11.146 -10.517 15.306 1.00 0.00 O ATOM 0 H GLU A 95 -8.538 -11.179 11.178 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.037 -12.912 13.516 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.855 -11.671 11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.184 -13.351 11.844 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.557 -12.021 13.286 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.312 -12.757 14.276 1.00 0.00 H new ATOM 999 N ALA A 96 -7.473 -13.949 11.311 1.00 0.00 N ATOM 1000 CA ALA A 96 -6.855 -15.052 10.535 1.00 0.00 C ATOM 1001 C ALA A 96 -5.309 -14.968 10.546 1.00 0.00 C ATOM 1002 O ALA A 96 -4.728 -14.522 11.532 1.00 0.00 O ATOM 1003 CB ALA A 96 -7.455 -15.096 9.116 1.00 0.00 C ATOM 0 H ALA A 96 -6.821 -13.195 11.528 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.093 -16.001 11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.996 -15.908 8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.530 -15.261 9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.263 -14.150 8.610 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.654 -15.443 9.485 1.00 0.00 N ATOM 1006 CA LEU A 97 -3.182 -15.489 9.369 1.00 0.00 C ATOM 1007 C LEU A 97 -2.579 -14.233 8.705 1.00 0.00 C ATOM 1008 O LEU A 97 -3.275 -13.257 8.428 1.00 0.00 O ATOM 1009 CB LEU A 97 -2.803 -16.753 8.582 1.00 0.00 C ATOM 1010 CG LEU A 97 -1.989 -17.737 9.428 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -2.889 -18.554 10.362 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -1.152 -18.642 8.522 1.00 0.00 C ATOM 0 H LEU A 97 -5.133 -15.814 8.665 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.764 -15.515 10.375 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.709 -17.244 8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.227 -16.471 7.700 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.312 -17.165 10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.278 -19.241 10.947 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.422 -17.881 11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.608 -19.121 9.771 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.577 -19.338 9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.811 -19.201 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.471 -18.033 7.928 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.257 -14.288 8.513 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.469 -13.241 7.838 1.00 0.00 C ATOM 1016 C GLY A 98 1.021 -13.586 7.944 1.00 0.00 C ATOM 1017 O GLY A 98 1.376 -14.761 7.944 1.00 0.00 O ATOM 0 H GLY A 98 -0.690 -15.075 8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.764 -13.165 6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.664 -12.271 8.295 1.00 0.00 H new ATOM 1019 N THR A 99 1.846 -12.540 7.991 1.00 0.00 N ATOM 1020 CA THR A 99 3.313 -12.606 8.250 1.00 0.00 C ATOM 1021 C THR A 99 4.048 -13.805 7.599 1.00 0.00 C ATOM 1022 O THR A 99 4.711 -14.608 8.251 1.00 0.00 O ATOM 1023 CB THR A 99 3.632 -12.417 9.752 1.00 0.00 C ATOM 1024 OG1 THR A 99 5.049 -12.402 9.943 1.00 0.00 O ATOM 1025 CG2 THR A 99 2.981 -13.441 10.693 1.00 0.00 C ATOM 0 H THR A 99 1.516 -11.586 7.847 1.00 0.00 H new ATOM 0 HA THR A 99 3.739 -11.754 7.721 1.00 0.00 H new ATOM 0 HB THR A 99 3.189 -11.460 10.028 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.439 -13.218 9.566 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.266 -13.222 11.722 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.897 -13.385 10.597 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.318 -14.443 10.429 1.00 0.00 H new ATOM 1028 N SER A 100 3.866 -13.879 6.284 1.00 0.00 N ATOM 1029 CA SER A 100 4.388 -14.964 5.421 1.00 0.00 C ATOM 1030 C SER A 100 5.012 -14.496 4.084 1.00 0.00 C ATOM 1031 O SER A 100 6.213 -14.695 3.929 1.00 0.00 O ATOM 1032 CB SER A 100 3.326 -16.068 5.256 1.00 0.00 C ATOM 1033 OG SER A 100 3.619 -16.947 4.165 1.00 0.00 O ATOM 0 H SER A 100 3.341 -13.176 5.765 1.00 0.00 H new ATOM 0 HA SER A 100 5.245 -15.391 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.260 -16.646 6.178 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.350 -15.609 5.098 1.00 0.00 H new ATOM 0 HG SER A 100 2.920 -17.631 4.100 1.00 0.00 H new ATOM 1036 N PRO A 101 4.288 -13.805 3.179 1.00 0.00 N ATOM 1037 CA PRO A 101 4.815 -13.451 1.845 1.00 0.00 C ATOM 1038 C PRO A 101 5.938 -12.395 1.863 1.00 0.00 C ATOM 1039 O PRO A 101 7.102 -12.749 1.728 1.00 0.00 O ATOM 1040 CB PRO A 101 3.582 -13.058 1.026 1.00 0.00 C ATOM 1041 CG PRO A 101 2.650 -12.447 2.071 1.00 0.00 C ATOM 1042 CD PRO A 101 2.911 -13.281 3.326 1.00 0.00 C ATOM 0 HA PRO A 101 5.335 -14.293 1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.831 -12.344 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.130 -13.922 0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.873 -11.393 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.607 -12.507 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.817 -12.674 4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.190 -14.094 3.413 1.00 0.00 H new ATOM 1043 N ARG A 102 5.563 -11.124 2.032 1.00 0.00 N ATOM 1044 CA ARG A 102 6.447 -9.940 1.961 1.00 0.00 C ATOM 1045 C ARG A 102 7.193 -9.772 0.634 1.00 0.00 C ATOM 1046 O ARG A 102 8.152 -10.469 0.312 1.00 0.00 O ATOM 1047 CB ARG A 102 7.429 -9.796 3.126 1.00 0.00 C ATOM 1048 CG ARG A 102 6.726 -9.368 4.417 1.00 0.00 C ATOM 1049 CD ARG A 102 7.662 -8.559 5.321 1.00 0.00 C ATOM 1050 NE ARG A 102 8.861 -9.338 5.684 1.00 0.00 N ATOM 1051 CZ ARG A 102 9.245 -9.685 6.912 1.00 0.00 C ATOM 1052 NH1 ARG A 102 8.560 -9.339 7.995 1.00 0.00 N ATOM 1053 NH2 ARG A 102 10.332 -10.424 7.071 1.00 0.00 N ATOM 0 H ARG A 102 4.595 -10.873 2.231 1.00 0.00 H new ATOM 0 HA ARG A 102 5.724 -9.128 2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.941 -10.745 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.193 -9.062 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 102 5.847 -8.771 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.374 -10.250 4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.961 -7.643 4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.131 -8.262 6.225 1.00 0.00 H new ATOM 0 HE ARG A 102 9.458 -9.643 4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.707 -8.788 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.887 -9.624 8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.869 -10.723 6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.633 -10.694 8.008 1.00 0.00 H new ATOM 1060 N MET A 103 6.729 -8.774 -0.105 1.00 0.00 N ATOM 1061 CA MET A 103 7.300 -8.455 -1.424 1.00 0.00 C ATOM 1062 C MET A 103 8.028 -7.109 -1.365 1.00 0.00 C ATOM 1063 O MET A 103 7.432 -6.092 -1.011 1.00 0.00 O ATOM 1064 CB MET A 103 6.184 -8.472 -2.471 1.00 0.00 C ATOM 1065 CG MET A 103 6.760 -8.624 -3.882 1.00 0.00 C ATOM 1066 SD MET A 103 5.766 -9.730 -4.949 1.00 0.00 S ATOM 1067 CE MET A 103 6.131 -11.312 -4.214 1.00 0.00 C ATOM 0 H MET A 103 5.960 -8.167 0.178 1.00 0.00 H new ATOM 0 HA MET A 103 8.038 -9.204 -1.712 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.498 -9.293 -2.264 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.606 -7.550 -2.407 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.825 -7.641 -4.349 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.776 -9.012 -3.813 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.810 -12.108 -4.886 1.00 0.00 H new ATOM 0 HE2 MET A 103 7.204 -11.394 -4.041 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.602 -11.403 -3.265 1.00 0.00 H new ATOM 1069 N THR A 104 9.338 -7.195 -1.565 1.00 0.00 N ATOM 1070 CA THR A 104 10.243 -6.025 -1.584 1.00 0.00 C ATOM 1071 C THR A 104 10.662 -5.759 -3.034 1.00 0.00 C ATOM 1072 O THR A 104 11.549 -6.402 -3.591 1.00 0.00 O ATOM 1073 CB THR A 104 11.511 -6.238 -0.741 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.293 -7.191 0.305 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.950 -4.902 -0.130 1.00 0.00 C ATOM 0 H THR A 104 9.818 -8.082 -1.721 1.00 0.00 H new ATOM 0 HA THR A 104 9.701 -5.182 -1.155 1.00 0.00 H new ATOM 0 HB THR A 104 12.290 -6.627 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.118 -7.305 0.821 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.849 -5.053 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.160 -4.189 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.154 -4.513 0.505 1.00 0.00 H new ATOM 1078 N PHE A 105 9.937 -4.821 -3.626 1.00 0.00 N ATOM 1079 CA PHE A 105 10.051 -4.454 -5.048 1.00 0.00 C ATOM 1080 C PHE A 105 10.477 -2.990 -5.179 1.00 0.00 C ATOM 1081 O PHE A 105 10.138 -2.150 -4.348 1.00 0.00 O ATOM 1082 CB PHE A 105 8.752 -4.767 -5.818 1.00 0.00 C ATOM 1083 CG PHE A 105 7.435 -4.318 -5.164 1.00 0.00 C ATOM 1084 CD1 PHE A 105 7.040 -4.867 -3.950 1.00 0.00 C ATOM 1085 CD2 PHE A 105 6.595 -3.412 -5.803 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.852 -4.487 -3.347 1.00 0.00 C ATOM 1087 CE2 PHE A 105 5.385 -3.054 -5.217 1.00 0.00 C ATOM 1088 CZ PHE A 105 5.015 -3.582 -3.984 1.00 0.00 C ATOM 0 H PHE A 105 9.234 -4.276 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 105 10.827 -5.065 -5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.819 -4.302 -6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.702 -5.844 -5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.669 -5.601 -3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.882 -2.987 -6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.578 -4.894 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.728 -2.361 -5.723 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.082 -3.289 -3.526 1.00 0.00 H new ATOM 1095 N ILE A 106 11.352 -2.740 -6.144 1.00 0.00 N ATOM 1096 CA ILE A 106 11.948 -1.401 -6.310 1.00 0.00 C ATOM 1097 C ILE A 106 11.407 -0.708 -7.572 1.00 0.00 C ATOM 1098 O ILE A 106 10.842 -1.359 -8.455 1.00 0.00 O ATOM 1099 CB ILE A 106 13.491 -1.450 -6.207 1.00 0.00 C ATOM 1100 CG1 ILE A 106 14.163 -2.260 -7.323 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.896 -2.010 -4.832 1.00 0.00 C ATOM 1102 CD1 ILE A 106 15.639 -1.893 -7.526 1.00 0.00 C ATOM 0 H ILE A 106 11.669 -3.432 -6.823 1.00 0.00 H new ATOM 0 HA ILE A 106 11.635 -0.768 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 106 13.844 -0.425 -6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.087 -3.322 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.623 -2.100 -8.256 1.00 0.00 H new ATOM 0 HG21 ILE A 106 14.983 -2.045 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.500 -1.367 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.492 -3.016 -4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 106 16.058 -2.500 -8.329 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.719 -0.838 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 106 16.190 -2.080 -6.604 1.00 0.00 H new ATOM 1104 N LYS A 107 11.331 0.622 -7.502 1.00 0.00 N ATOM 1105 CA LYS A 107 10.773 1.473 -8.578 1.00 0.00 C ATOM 1106 C LYS A 107 11.688 1.468 -9.816 1.00 0.00 C ATOM 1107 O LYS A 107 12.525 2.352 -9.989 1.00 0.00 O ATOM 1108 CB LYS A 107 10.540 2.900 -8.049 1.00 0.00 C ATOM 1109 CG LYS A 107 9.131 3.434 -8.342 1.00 0.00 C ATOM 1110 CD LYS A 107 8.810 3.634 -9.830 1.00 0.00 C ATOM 1111 CE LYS A 107 9.535 4.828 -10.462 1.00 0.00 C ATOM 1112 NZ LYS A 107 9.050 6.117 -9.944 1.00 0.00 N ATOM 0 H LYS A 107 11.655 1.153 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 107 9.812 1.064 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.709 2.913 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.275 3.570 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.402 2.744 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.005 4.387 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.077 2.728 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.735 3.771 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.605 4.742 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.401 4.800 -11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.470 6.893 -10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.014 6.156 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.323 6.214 -8.945 1.00 0.00 H new ATOM 1117 N HIS A 108 11.557 0.347 -10.528 1.00 0.00 N ATOM 1118 CA HIS A 108 12.301 -0.160 -11.707 1.00 0.00 C ATOM 1119 C HIS A 108 13.164 -1.324 -11.204 1.00 0.00 C ATOM 1120 O HIS A 108 13.826 -1.187 -10.179 1.00 0.00 O ATOM 1121 CB HIS A 108 13.230 0.826 -12.442 1.00 0.00 C ATOM 1122 CG HIS A 108 12.576 2.134 -12.904 1.00 0.00 C ATOM 1123 ND1 HIS A 108 13.189 3.310 -12.915 1.00 0.00 N ATOM 1124 CD2 HIS A 108 11.311 2.334 -13.270 1.00 0.00 C ATOM 1125 CE1 HIS A 108 12.303 4.237 -13.272 1.00 0.00 C ATOM 1126 NE2 HIS A 108 11.140 3.632 -13.493 1.00 0.00 N ATOM 0 H HIS A 108 10.833 -0.322 -10.264 1.00 0.00 H new ATOM 0 HA HIS A 108 11.541 -0.415 -12.446 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.064 1.070 -11.784 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.648 0.322 -13.313 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.553 1.571 -13.369 1.00 0.00 H new ATOM 0 HE1 HIS A 108 12.495 5.296 -13.366 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.272 4.084 -13.782 1.00 0.00 H new ATOM 1129 N LYS A 109 13.066 -2.467 -11.885 1.00 0.00 N ATOM 1130 CA LYS A 109 13.703 -3.758 -11.513 1.00 0.00 C ATOM 1131 C LYS A 109 13.020 -4.507 -10.349 1.00 0.00 C ATOM 1132 O LYS A 109 12.969 -5.755 -10.452 1.00 99.99 O ATOM 1133 CG LYS A 109 16.033 -3.634 -12.527 1.00 0.00 C ATOM 1134 CD LYS A 109 16.753 -4.976 -12.685 1.00 0.00 C ATOM 1135 CE LYS A 109 17.465 -5.112 -14.033 1.00 0.00 C ATOM 1136 NZ LYS A 109 16.504 -5.291 -15.130 1.00 0.00 N ATOM 1137 OXT LYS A 109 12.458 -3.844 -9.450 1.00 99.99 O ATOM 0 H LYS A 109 12.523 -2.535 -12.746 1.00 0.00 H new ATOM 0 HD2 LYS A 109 17.481 -5.089 -11.882 1.00 0.00 H new ATOM 0 HD3 LYS A 109 16.031 -5.785 -12.577 1.00 0.00 H new ATOM 0 HE2 LYS A 109 18.070 -4.224 -14.218 1.00 0.00 H new ATOM 0 HE3 LYS A 109 18.147 -5.962 -14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.017 -5.380 -16.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 15.944 -6.152 -14.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 15.869 -4.468 -15.173 1.00 0.00 H new