USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 744 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 80 THR OG1 : rot 96:sc= 0.541 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 165:sc= 0.0891 (180deg=-1.26) USER MOD Set 2.1: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 ASN : amide:sc= 0.0731 X(o=-0.25,f=-0.37) USER MOD Set 2.3: A 77 HIS : no HD1:sc= -0.32 K(o=-0.25,f=-2.2) USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 86 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0081) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.0414 (180deg=0.0152) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.77) USER MOD Single : A 6 HIS : no HE2:sc= 0.3 K(o=0.3,f=-1.1) USER MOD Single : A 7 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.84) USER MOD Single : A 8 HIS : no HD1:sc= -0.557 K(o=-0.56,f=-2.2) USER MOD Single : A 9 HIS : no HD1:sc= -0.0889 X(o=-0.089,f=-0.56) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0928 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -0.369 X(o=-0.37,f=-0.8) USER MOD Single : A 21 MET CE :methyl -150:sc= 0 (180deg=-0.00326) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc=-0.00213 F(o=-2.2!,f=-0.0021) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -130:sc= -0.213 USER MOD Single : A 50 GLN : amide:sc= -0.328 K(o=-0.33,f=-3.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 177:sc= 0.466 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0919 F(o=-1.2,f=-0.092) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.05 F(o=-2!,f=-1.1) USER MOD Single : A 69 ASN :FLIP amide:sc= -3.48! C(o=-4.2!,f=-3.5!) USER MOD Single : A 79 TYR OH : rot -18:sc= -0.549 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -1.87! USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.551 22.581 18.903 1.00 0.00 N ATOM 2 CA MET A 1 -24.648 23.580 18.811 1.00 0.00 C ATOM 3 C MET A 1 -25.980 22.981 19.251 1.00 0.00 C ATOM 4 O MET A 1 -26.914 23.706 19.593 1.00 0.00 O ATOM 5 CB MET A 1 -24.741 24.069 17.365 1.00 0.00 C ATOM 6 CG MET A 1 -23.659 25.069 16.988 1.00 0.00 C ATOM 7 SD MET A 1 -22.133 24.271 16.454 1.00 0.00 S ATOM 8 CE MET A 1 -22.551 23.836 14.767 1.00 0.00 C ATOM 0 H1 MET A 1 -22.649 23.031 18.646 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.492 22.218 19.876 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.743 21.794 18.251 1.00 0.00 H new ATOM 0 HA MET A 1 -24.428 24.414 19.477 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.680 23.211 16.696 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.718 24.527 17.208 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.027 25.713 16.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.449 25.711 17.843 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.681 23.397 14.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.369 23.115 14.769 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.858 24.731 14.226 1.00 0.00 H new ATOM 20 N GLY A 2 -26.059 21.654 19.239 1.00 0.00 N ATOM 21 CA GLY A 2 -27.281 20.979 19.636 1.00 0.00 C ATOM 22 C GLY A 2 -27.059 19.990 20.764 1.00 0.00 C ATOM 23 O GLY A 2 -26.127 20.140 21.555 1.00 0.00 O ATOM 0 H GLY A 2 -25.298 21.034 18.961 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -28.017 21.720 19.947 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -27.699 20.456 18.776 1.00 0.00 H new ATOM 27 N SER A 3 -27.916 18.976 20.838 1.00 0.00 N ATOM 28 CA SER A 3 -27.811 17.960 21.879 1.00 0.00 C ATOM 29 C SER A 3 -27.365 16.622 21.295 1.00 0.00 C ATOM 30 O SER A 3 -27.358 15.604 21.987 1.00 0.00 O ATOM 31 CB SER A 3 -29.153 17.795 22.595 1.00 0.00 C ATOM 32 OG SER A 3 -30.175 17.426 21.685 1.00 0.00 O ATOM 0 H SER A 3 -28.691 18.836 20.189 1.00 0.00 H new ATOM 0 HA SER A 3 -27.060 18.289 22.597 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.063 17.036 23.373 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.422 18.728 23.090 1.00 0.00 H new ATOM 0 HG SER A 3 -31.022 17.325 22.168 1.00 0.00 H new ATOM 38 N SER A 4 -26.992 16.634 20.020 1.00 0.00 N ATOM 39 CA SER A 4 -26.542 15.424 19.341 1.00 0.00 C ATOM 40 C SER A 4 -25.020 15.316 19.376 1.00 0.00 C ATOM 41 O SER A 4 -24.318 16.326 19.420 1.00 0.00 O ATOM 42 CB SER A 4 -27.031 15.417 17.891 1.00 0.00 C ATOM 43 OG SER A 4 -26.558 16.553 17.188 1.00 0.00 O ATOM 0 H SER A 4 -26.992 17.470 19.435 1.00 0.00 H new ATOM 0 HA SER A 4 -26.962 14.565 19.864 1.00 0.00 H new ATOM 0 HB2 SER A 4 -26.690 14.509 17.393 1.00 0.00 H new ATOM 0 HB3 SER A 4 -28.121 15.401 17.871 1.00 0.00 H new ATOM 0 HG SER A 4 -26.883 16.524 16.264 1.00 0.00 H new ATOM 49 N HIS A 5 -24.518 14.085 19.360 1.00 0.00 N ATOM 50 CA HIS A 5 -23.079 13.845 19.389 1.00 0.00 C ATOM 51 C HIS A 5 -22.666 12.868 18.293 1.00 0.00 C ATOM 52 O HIS A 5 -22.921 11.668 18.390 1.00 0.00 O ATOM 53 CB HIS A 5 -22.661 13.301 20.758 1.00 0.00 C ATOM 54 CG HIS A 5 -21.471 13.997 21.344 1.00 0.00 C ATOM 55 ND1 HIS A 5 -21.078 15.239 20.902 1.00 0.00 N ATOM 56 CD2 HIS A 5 -20.630 13.589 22.326 1.00 0.00 C ATOM 57 CE1 HIS A 5 -20.014 15.558 21.618 1.00 0.00 C ATOM 58 NE2 HIS A 5 -19.706 14.588 22.493 1.00 0.00 N ATOM 0 H HIS A 5 -25.086 13.238 19.327 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.574 14.794 19.211 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.500 13.392 21.447 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -22.440 12.238 20.665 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.679 12.658 22.871 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -19.463 16.481 21.513 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -18.931 14.593 23.156 1.00 0.00 H new ATOM 66 N HIS A 6 -22.032 13.393 17.249 1.00 0.00 N ATOM 67 CA HIS A 6 -21.587 12.568 16.131 1.00 0.00 C ATOM 68 C HIS A 6 -20.138 12.878 15.766 1.00 0.00 C ATOM 69 O HIS A 6 -19.516 13.765 16.351 1.00 0.00 O ATOM 70 CB HIS A 6 -22.488 12.789 14.914 1.00 0.00 C ATOM 71 CG HIS A 6 -22.840 14.226 14.680 1.00 0.00 C ATOM 72 ND1 HIS A 6 -21.985 15.074 14.016 1.00 0.00 N ATOM 73 CD2 HIS A 6 -23.955 14.910 15.038 1.00 0.00 C ATOM 74 CE1 HIS A 6 -22.593 16.248 13.984 1.00 0.00 C ATOM 75 NE2 HIS A 6 -23.788 16.195 14.591 1.00 0.00 N ATOM 0 H HIS A 6 -21.815 14.385 17.154 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.651 11.524 16.438 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -21.989 12.397 14.028 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.406 12.215 15.043 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -21.070 14.845 13.628 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.808 14.518 15.572 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.180 17.136 13.528 1.00 0.00 H new ATOM 83 N HIS A 7 -19.606 12.137 14.799 1.00 0.00 N ATOM 84 CA HIS A 7 -18.230 12.331 14.353 1.00 0.00 C ATOM 85 C HIS A 7 -18.100 13.611 13.534 1.00 0.00 C ATOM 86 O HIS A 7 -19.097 14.253 13.204 1.00 0.00 O ATOM 87 CB HIS A 7 -17.769 11.132 13.522 1.00 0.00 C ATOM 88 CG HIS A 7 -16.401 10.642 13.885 1.00 0.00 C ATOM 89 ND1 HIS A 7 -15.899 10.795 15.156 1.00 0.00 N ATOM 90 CD2 HIS A 7 -15.479 10.012 13.116 1.00 0.00 C ATOM 91 CE1 HIS A 7 -14.691 10.262 15.134 1.00 0.00 C ATOM 92 NE2 HIS A 7 -14.394 9.776 13.919 1.00 0.00 N ATOM 0 H HIS A 7 -20.107 11.396 14.309 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.596 12.419 15.235 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.483 10.318 13.647 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.780 11.406 12.467 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.580 9.748 12.074 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -14.027 10.222 15.985 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.525 9.318 13.645 1.00 0.00 H new ATOM 100 N HIS A 8 -16.864 13.974 13.209 1.00 0.00 N ATOM 101 CA HIS A 8 -16.601 15.178 12.429 1.00 0.00 C ATOM 102 C HIS A 8 -16.000 14.825 11.070 1.00 0.00 C ATOM 103 O HIS A 8 -15.043 15.457 10.620 1.00 0.00 O ATOM 104 CB HIS A 8 -15.659 16.109 13.194 1.00 0.00 C ATOM 105 CG HIS A 8 -14.458 15.417 13.760 1.00 0.00 C ATOM 106 ND1 HIS A 8 -13.811 14.421 13.066 1.00 0.00 N ATOM 107 CD2 HIS A 8 -13.833 15.607 14.947 1.00 0.00 C ATOM 108 CE1 HIS A 8 -12.813 14.031 13.837 1.00 0.00 C ATOM 109 NE2 HIS A 8 -12.787 14.721 14.987 1.00 0.00 N ATOM 0 H HIS A 8 -16.029 13.452 13.473 1.00 0.00 H new ATOM 0 HA HIS A 8 -17.549 15.690 12.263 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -15.328 16.905 12.527 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -16.211 16.583 14.006 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.106 16.318 15.713 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -12.108 13.256 13.575 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -12.116 14.608 15.747 1.00 0.00 H new ATOM 117 N HIS A 9 -16.569 13.812 10.424 1.00 0.00 N ATOM 118 CA HIS A 9 -16.090 13.371 9.118 1.00 0.00 C ATOM 119 C HIS A 9 -16.257 14.471 8.076 1.00 0.00 C ATOM 120 O HIS A 9 -15.277 15.053 7.610 1.00 0.00 O ATOM 121 CB HIS A 9 -16.845 12.116 8.675 1.00 0.00 C ATOM 122 CG HIS A 9 -16.075 11.256 7.722 1.00 0.00 C ATOM 123 ND1 HIS A 9 -15.219 11.800 6.793 1.00 0.00 N ATOM 124 CD2 HIS A 9 -16.067 9.906 7.592 1.00 0.00 C ATOM 125 CE1 HIS A 9 -14.712 10.779 6.124 1.00 0.00 C ATOM 126 NE2 HIS A 9 -15.197 9.614 6.575 1.00 0.00 N ATOM 0 H HIS A 9 -17.362 13.281 10.783 1.00 0.00 H new ATOM 0 HA HIS A 9 -15.029 13.139 9.207 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -17.102 11.527 9.556 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -17.783 12.413 8.206 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -16.636 9.199 8.177 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.999 10.872 5.318 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.962 8.685 6.226 1.00 0.00 H new ATOM 134 N HIS A 10 -17.505 14.751 7.714 1.00 0.00 N ATOM 135 CA HIS A 10 -17.802 15.780 6.725 1.00 0.00 C ATOM 136 C HIS A 10 -18.521 16.962 7.368 1.00 0.00 C ATOM 137 O HIS A 10 -19.585 17.380 6.910 1.00 0.00 O ATOM 138 CB HIS A 10 -18.655 15.197 5.596 1.00 0.00 C ATOM 139 CG HIS A 10 -17.965 14.116 4.825 1.00 0.00 C ATOM 140 ND1 HIS A 10 -18.302 12.793 4.990 1.00 0.00 N ATOM 141 CD2 HIS A 10 -16.969 14.210 3.910 1.00 0.00 C ATOM 142 CE1 HIS A 10 -17.512 12.114 4.175 1.00 0.00 C ATOM 143 NE2 HIS A 10 -16.689 12.931 3.502 1.00 0.00 N ATOM 0 H HIS A 10 -18.327 14.279 8.091 1.00 0.00 H new ATOM 0 HA HIS A 10 -16.859 16.137 6.311 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -19.579 14.799 6.017 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -18.935 15.998 4.912 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -16.490 15.116 3.569 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -17.528 11.040 4.066 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -15.987 12.654 2.816 1.00 0.00 H new ATOM 151 N SER A 11 -17.930 17.500 8.430 1.00 0.00 N ATOM 152 CA SER A 11 -18.510 18.636 9.137 1.00 0.00 C ATOM 153 C SER A 11 -18.472 19.893 8.275 1.00 0.00 C ATOM 154 O SER A 11 -19.498 20.331 7.753 1.00 0.00 O ATOM 155 CB SER A 11 -17.763 18.881 10.450 1.00 0.00 C ATOM 156 OG SER A 11 -16.398 18.515 10.337 1.00 0.00 O ATOM 0 H SER A 11 -17.048 17.167 8.820 1.00 0.00 H new ATOM 0 HA SER A 11 -19.551 18.401 9.357 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.839 19.933 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 11 -18.231 18.308 11.251 1.00 0.00 H new ATOM 0 HG SER A 11 -15.943 18.683 11.189 1.00 0.00 H new ATOM 162 N SER A 12 -17.282 20.468 8.127 1.00 0.00 N ATOM 163 CA SER A 12 -17.109 21.676 7.328 1.00 0.00 C ATOM 164 C SER A 12 -16.212 21.410 6.123 1.00 0.00 C ATOM 165 O SER A 12 -15.015 21.163 6.272 1.00 0.00 O ATOM 166 CB SER A 12 -16.514 22.798 8.182 1.00 0.00 C ATOM 167 OG SER A 12 -17.256 23.997 8.037 1.00 0.00 O ATOM 0 H SER A 12 -16.423 20.116 8.550 1.00 0.00 H new ATOM 0 HA SER A 12 -18.090 21.984 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.505 22.496 9.229 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.478 22.970 7.891 1.00 0.00 H new ATOM 0 HG SER A 12 -16.857 24.698 8.594 1.00 0.00 H new ATOM 173 N GLY A 13 -16.800 21.463 4.932 1.00 0.00 N ATOM 174 CA GLY A 13 -16.040 21.229 3.718 1.00 0.00 C ATOM 175 C GLY A 13 -15.874 22.486 2.887 1.00 0.00 C ATOM 176 O GLY A 13 -15.783 22.420 1.661 1.00 0.00 O ATOM 0 H GLY A 13 -17.789 21.664 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.057 20.837 3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.540 20.466 3.121 1.00 0.00 H new ATOM 180 N LEU A 14 -15.834 23.634 3.556 1.00 0.00 N ATOM 181 CA LEU A 14 -15.678 24.913 2.874 1.00 0.00 C ATOM 182 C LEU A 14 -14.205 25.217 2.619 1.00 0.00 C ATOM 183 O LEU A 14 -13.838 25.706 1.550 1.00 0.00 O ATOM 184 CB LEU A 14 -16.306 26.037 3.702 1.00 0.00 C ATOM 185 CG LEU A 14 -17.082 27.079 2.894 1.00 0.00 C ATOM 186 CD1 LEU A 14 -18.579 26.865 3.047 1.00 0.00 C ATOM 187 CD2 LEU A 14 -16.696 28.484 3.330 1.00 0.00 C ATOM 0 H LEU A 14 -15.908 23.704 4.571 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.190 24.849 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.979 25.594 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.517 26.544 4.257 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.825 26.962 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -19.115 27.615 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -18.843 25.870 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -18.854 26.956 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -17.257 29.213 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.926 28.613 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.628 28.634 3.170 1.00 0.00 H new ATOM 199 N VAL A 15 -13.365 24.923 3.608 1.00 0.00 N ATOM 200 CA VAL A 15 -11.930 25.161 3.490 1.00 0.00 C ATOM 201 C VAL A 15 -11.217 23.967 2.849 1.00 0.00 C ATOM 202 O VAL A 15 -10.477 24.134 1.880 1.00 0.00 O ATOM 203 CB VAL A 15 -11.286 25.466 4.858 1.00 0.00 C ATOM 204 CG1 VAL A 15 -9.904 26.075 4.675 1.00 0.00 C ATOM 205 CG2 VAL A 15 -12.178 26.386 5.678 1.00 0.00 C ATOM 0 H VAL A 15 -13.653 24.520 4.499 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.813 26.033 2.847 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.175 24.528 5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.466 26.283 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.267 25.376 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.987 27.003 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.706 26.589 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.325 27.323 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.143 25.906 5.842 1.00 0.00 H new ATOM 215 N PRO A 16 -11.424 22.736 3.373 1.00 0.00 N ATOM 216 CA PRO A 16 -10.785 21.537 2.824 1.00 0.00 C ATOM 217 C PRO A 16 -11.446 21.070 1.531 1.00 0.00 C ATOM 218 O PRO A 16 -12.560 20.546 1.546 1.00 0.00 O ATOM 219 CB PRO A 16 -10.979 20.503 3.930 1.00 0.00 C ATOM 220 CG PRO A 16 -12.241 20.911 4.606 1.00 0.00 C ATOM 221 CD PRO A 16 -12.287 22.415 4.531 1.00 0.00 C ATOM 0 HA PRO A 16 -9.742 21.710 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.055 19.495 3.522 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.139 20.503 4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.107 20.469 4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.256 20.572 5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.304 22.777 4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.914 22.873 5.447 1.00 0.00 H new ATOM 229 N ARG A 17 -10.753 21.266 0.413 1.00 0.00 N ATOM 230 CA ARG A 17 -11.276 20.868 -0.889 1.00 0.00 C ATOM 231 C ARG A 17 -11.000 19.393 -1.161 1.00 0.00 C ATOM 232 O ARG A 17 -9.848 18.956 -1.155 1.00 0.00 O ATOM 233 CB ARG A 17 -10.656 21.726 -1.994 1.00 0.00 C ATOM 234 CG ARG A 17 -11.680 22.326 -2.943 1.00 0.00 C ATOM 235 CD ARG A 17 -11.291 23.733 -3.366 1.00 0.00 C ATOM 236 NE ARG A 17 -12.460 24.552 -3.678 1.00 0.00 N ATOM 237 CZ ARG A 17 -12.416 25.639 -4.444 1.00 0.00 C ATOM 238 NH1 ARG A 17 -11.267 26.037 -4.974 1.00 0.00 N ATOM 239 NH2 ARG A 17 -13.523 26.330 -4.680 1.00 0.00 N ATOM 0 H ARG A 17 -9.829 21.697 0.383 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.355 21.021 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.080 22.531 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.956 21.117 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.775 21.693 -3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.657 22.347 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.719 24.207 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.640 23.683 -4.239 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.360 24.275 -3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.413 25.509 -4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.238 26.871 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.409 26.028 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.489 27.163 -5.267 1.00 0.00 H new ATOM 253 N GLY A 18 -12.062 18.633 -1.401 1.00 0.00 N ATOM 254 CA GLY A 18 -11.916 17.215 -1.673 1.00 0.00 C ATOM 255 C GLY A 18 -11.678 16.928 -3.143 1.00 0.00 C ATOM 256 O GLY A 18 -12.595 16.523 -3.858 1.00 0.00 O ATOM 0 H GLY A 18 -13.023 18.974 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.084 16.820 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.813 16.691 -1.344 1.00 0.00 H new ATOM 260 N SER A 19 -10.446 17.141 -3.594 1.00 0.00 N ATOM 261 CA SER A 19 -10.090 16.902 -4.986 1.00 0.00 C ATOM 262 C SER A 19 -9.338 15.583 -5.136 1.00 0.00 C ATOM 263 O SER A 19 -8.408 15.474 -5.936 1.00 0.00 O ATOM 264 CB SER A 19 -9.238 18.054 -5.523 1.00 0.00 C ATOM 265 OG SER A 19 -9.250 19.156 -4.634 1.00 0.00 O ATOM 0 H SER A 19 -9.678 17.479 -3.014 1.00 0.00 H new ATOM 0 HA SER A 19 -11.011 16.842 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.213 17.714 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.615 18.365 -6.497 1.00 0.00 H new ATOM 0 HG SER A 19 -8.697 19.877 -5.000 1.00 0.00 H new ATOM 271 N HIS A 20 -9.748 14.584 -4.360 1.00 0.00 N ATOM 272 CA HIS A 20 -9.113 13.270 -4.406 1.00 0.00 C ATOM 273 C HIS A 20 -9.928 12.302 -5.258 1.00 0.00 C ATOM 274 O HIS A 20 -10.621 11.428 -4.734 1.00 0.00 O ATOM 275 CB HIS A 20 -8.943 12.710 -2.990 1.00 0.00 C ATOM 276 CG HIS A 20 -10.096 13.008 -2.081 1.00 0.00 C ATOM 277 ND1 HIS A 20 -11.181 12.168 -2.000 1.00 0.00 N ATOM 278 CD2 HIS A 20 -10.281 14.054 -1.239 1.00 0.00 C ATOM 279 CE1 HIS A 20 -11.998 12.717 -1.119 1.00 0.00 C ATOM 280 NE2 HIS A 20 -11.495 13.859 -0.632 1.00 0.00 N ATOM 0 H HIS A 20 -10.516 14.659 -3.693 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.129 13.385 -4.861 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.809 11.630 -3.050 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.032 13.120 -2.554 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.326 11.299 -2.514 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -9.604 14.880 -1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.950 12.298 -0.828 1.00 0.00 H new ATOM 288 N MET A 21 -9.841 12.465 -6.574 1.00 0.00 N ATOM 289 CA MET A 21 -10.571 11.606 -7.503 1.00 0.00 C ATOM 290 C MET A 21 -9.614 10.705 -8.275 1.00 0.00 C ATOM 291 O MET A 21 -9.727 9.480 -8.230 1.00 0.00 O ATOM 292 CB MET A 21 -11.391 12.453 -8.482 1.00 0.00 C ATOM 293 CG MET A 21 -11.617 13.883 -8.017 1.00 0.00 C ATOM 294 SD MET A 21 -13.180 14.565 -8.601 1.00 0.00 S ATOM 295 CE MET A 21 -14.328 13.804 -7.457 1.00 0.00 C ATOM 0 H MET A 21 -9.273 13.184 -7.022 1.00 0.00 H new ATOM 0 HA MET A 21 -11.247 10.979 -6.922 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.883 12.470 -9.446 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.358 11.975 -8.640 1.00 0.00 H new ATOM 0 HG2 MET A 21 -11.596 13.914 -6.928 1.00 0.00 H new ATOM 0 HG3 MET A 21 -10.798 14.509 -8.370 1.00 0.00 H new ATOM 0 HE1 MET A 21 -15.292 13.666 -7.947 1.00 0.00 H new ATOM 0 HE2 MET A 21 -13.939 12.836 -7.142 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.453 14.446 -6.585 1.00 0.00 H new ATOM 305 N LYS A 22 -8.672 11.321 -8.981 1.00 0.00 N ATOM 306 CA LYS A 22 -7.693 10.578 -9.765 1.00 0.00 C ATOM 307 C LYS A 22 -6.338 10.558 -9.066 1.00 0.00 C ATOM 308 O LYS A 22 -5.778 11.607 -8.746 1.00 0.00 O ATOM 309 CB LYS A 22 -7.555 11.193 -11.160 1.00 0.00 C ATOM 310 CG LYS A 22 -8.846 11.794 -11.691 1.00 0.00 C ATOM 311 CD LYS A 22 -8.933 11.682 -13.204 1.00 0.00 C ATOM 312 CE LYS A 22 -10.111 12.469 -13.755 1.00 0.00 C ATOM 313 NZ LYS A 22 -9.752 13.206 -14.997 1.00 0.00 N ATOM 0 H LYS A 22 -8.566 12.334 -9.026 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.044 9.551 -9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.788 11.967 -11.132 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.209 10.426 -11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.698 11.286 -11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.907 12.842 -11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.009 12.048 -13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.030 10.634 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.937 11.789 -13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.460 13.175 -13.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.581 13.730 -15.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.981 13.873 -14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.443 12.530 -15.725 1.00 0.00 H new ATOM 327 N ASN A 23 -5.821 9.357 -8.824 1.00 0.00 N ATOM 328 CA ASN A 23 -4.533 9.199 -8.157 1.00 0.00 C ATOM 329 C ASN A 23 -3.386 9.293 -9.157 1.00 0.00 C ATOM 330 O ASN A 23 -3.516 8.875 -10.307 1.00 0.00 O ATOM 331 CB ASN A 23 -4.477 7.858 -7.424 1.00 0.00 C ATOM 332 CG ASN A 23 -3.971 7.997 -6.001 1.00 0.00 C ATOM 333 OD1 ASN A 23 -2.908 8.771 -5.823 1.00 0.00 O flip ATOM 334 ND2 ASN A 23 -4.529 7.413 -5.071 1.00 0.00 N flip ATOM 0 H ASN A 23 -6.274 8.480 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.426 10.007 -7.433 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.472 7.412 -7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.829 7.174 -7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.344 6.827 -5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.176 7.515 -4.120 1.00 0.00 H new ATOM 341 N ILE A 24 -2.263 9.846 -8.709 1.00 0.00 N ATOM 342 CA ILE A 24 -1.092 9.997 -9.565 1.00 0.00 C ATOM 343 C ILE A 24 -0.005 8.998 -9.184 1.00 0.00 C ATOM 344 O ILE A 24 0.816 8.613 -10.017 1.00 0.00 O ATOM 345 CB ILE A 24 -0.512 11.424 -9.488 1.00 0.00 C ATOM 346 CG1 ILE A 24 -1.618 12.442 -9.181 1.00 0.00 C ATOM 347 CG2 ILE A 24 0.199 11.776 -10.788 1.00 0.00 C ATOM 348 CD1 ILE A 24 -2.687 12.533 -10.250 1.00 0.00 C ATOM 0 H ILE A 24 -2.140 10.197 -7.759 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.421 9.805 -10.586 1.00 0.00 H new ATOM 0 HB ILE A 24 0.215 11.459 -8.677 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.088 12.178 -8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.166 13.425 -9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.603 12.786 -10.720 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.012 11.071 -10.961 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.509 11.724 -11.615 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.431 13.274 -9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.232 12.829 -11.195 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.168 11.562 -10.367 1.00 0.00 H new ATOM 360 N VAL A 25 -0.007 8.580 -7.922 1.00 0.00 N ATOM 361 CA VAL A 25 0.978 7.623 -7.434 1.00 0.00 C ATOM 362 C VAL A 25 0.300 6.404 -6.809 1.00 0.00 C ATOM 363 O VAL A 25 -0.683 6.538 -6.079 1.00 0.00 O ATOM 364 CB VAL A 25 1.923 8.262 -6.398 1.00 0.00 C ATOM 365 CG1 VAL A 25 2.853 9.262 -7.070 1.00 0.00 C ATOM 366 CG2 VAL A 25 1.129 8.925 -5.283 1.00 0.00 C ATOM 0 H VAL A 25 -0.679 8.889 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 25 1.563 7.306 -8.297 1.00 0.00 H new ATOM 0 HB VAL A 25 2.532 7.474 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.513 9.703 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.450 8.752 -7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.263 10.047 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.815 9.370 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.490 9.702 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.511 8.179 -4.783 1.00 0.00 H new ATOM 376 N PRO A 26 0.820 5.195 -7.089 1.00 0.00 N ATOM 377 CA PRO A 26 0.256 3.944 -6.565 1.00 0.00 C ATOM 378 C PRO A 26 0.128 3.949 -5.042 1.00 0.00 C ATOM 379 O PRO A 26 -0.888 4.393 -4.505 1.00 0.00 O ATOM 380 CB PRO A 26 1.255 2.880 -7.022 1.00 0.00 C ATOM 381 CG PRO A 26 1.907 3.472 -8.223 1.00 0.00 C ATOM 382 CD PRO A 26 1.983 4.948 -7.961 1.00 0.00 C ATOM 0 HA PRO A 26 -0.758 3.775 -6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.984 2.660 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.754 1.943 -7.264 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.900 3.050 -8.376 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.330 3.264 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.918 5.223 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.924 5.525 -8.884 1.00 0.00 H new ATOM 390 N ASP A 27 1.153 3.450 -4.348 1.00 0.00 N ATOM 391 CA ASP A 27 1.125 3.376 -2.897 1.00 0.00 C ATOM 392 C ASP A 27 -0.097 2.592 -2.449 1.00 0.00 C ATOM 393 O ASP A 27 -1.086 3.173 -2.000 1.00 0.00 O ATOM 394 CB ASP A 27 1.114 4.783 -2.298 1.00 0.00 C ATOM 395 CG ASP A 27 1.470 4.792 -0.824 1.00 0.00 C ATOM 396 OD1 ASP A 27 2.283 3.943 -0.404 1.00 0.00 O ATOM 397 OD2 ASP A 27 0.936 5.648 -0.090 1.00 0.00 O ATOM 0 H ASP A 27 2.009 3.093 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 27 2.019 2.862 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.819 5.411 -2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.126 5.223 -2.432 1.00 0.00 H new ATOM 402 N TYR A 28 -0.057 1.273 -2.637 1.00 0.00 N ATOM 403 CA TYR A 28 -1.205 0.437 -2.274 1.00 0.00 C ATOM 404 C TYR A 28 -0.913 -0.395 -1.034 1.00 0.00 C ATOM 405 O TYR A 28 0.201 -0.880 -0.850 1.00 0.00 O ATOM 406 CB TYR A 28 -1.612 -0.464 -3.441 1.00 0.00 C ATOM 407 CG TYR A 28 -2.829 0.029 -4.190 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.110 -0.284 -3.755 1.00 0.00 C ATOM 409 CD2 TYR A 28 -2.696 0.814 -5.330 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.225 0.167 -4.436 1.00 0.00 C ATOM 411 CE2 TYR A 28 -3.806 1.269 -6.015 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.068 0.943 -5.565 1.00 0.00 C ATOM 413 OH TYR A 28 -6.176 1.395 -6.245 1.00 0.00 O ATOM 0 H TYR A 28 0.738 0.768 -3.029 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.038 1.101 -2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.776 -0.544 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.810 -1.467 -3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.237 -0.890 -2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.709 1.072 -5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.214 -0.087 -4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.686 1.877 -6.899 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.891 1.929 -7.016 1.00 0.00 H new ATOM 423 N ARG A 29 -1.922 -0.549 -0.178 1.00 0.00 N ATOM 424 CA ARG A 29 -1.749 -1.276 1.072 1.00 0.00 C ATOM 425 C ARG A 29 -2.514 -2.597 1.092 1.00 0.00 C ATOM 426 O ARG A 29 -3.676 -2.666 0.691 1.00 0.00 O ATOM 427 CB ARG A 29 -2.198 -0.406 2.249 1.00 0.00 C ATOM 428 CG ARG A 29 -1.069 0.387 2.886 1.00 0.00 C ATOM 429 CD ARG A 29 -1.556 1.729 3.407 1.00 0.00 C ATOM 430 NE ARG A 29 -2.814 1.610 4.140 1.00 0.00 N ATOM 431 CZ ARG A 29 -2.891 1.542 5.466 1.00 0.00 C ATOM 432 NH1 ARG A 29 -1.788 1.578 6.202 1.00 0.00 N ATOM 433 NH2 ARG A 29 -4.074 1.436 6.057 1.00 0.00 N ATOM 0 H ARG A 29 -2.861 -0.181 -0.328 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.688 -1.511 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.968 0.285 1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.656 -1.042 3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.637 -0.187 3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.276 0.545 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.797 2.162 4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.688 2.416 2.571 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.682 1.577 3.605 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.877 1.658 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.851 1.526 7.219 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.924 1.407 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.133 1.384 7.074 1.00 0.00 H new ATOM 447 N LEU A 30 -1.853 -3.633 1.605 1.00 0.00 N ATOM 448 CA LEU A 30 -2.459 -4.952 1.757 1.00 0.00 C ATOM 449 C LEU A 30 -2.300 -5.416 3.200 1.00 0.00 C ATOM 450 O LEU A 30 -1.316 -6.067 3.547 1.00 0.00 O ATOM 451 CB LEU A 30 -1.814 -5.959 0.793 1.00 0.00 C ATOM 452 CG LEU A 30 -2.649 -7.210 0.473 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.561 -8.216 1.611 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.100 -6.834 0.201 1.00 0.00 C ATOM 0 H LEU A 30 -0.886 -3.581 1.926 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.520 -4.888 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.591 -5.446 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.862 -6.279 1.216 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.242 -7.672 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.158 -9.095 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.522 -8.512 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.940 -7.763 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.673 -7.734 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.520 -6.346 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.146 -6.153 -0.649 1.00 0.00 H new ATOM 466 N ASP A 31 -3.271 -5.069 4.040 1.00 0.00 N ATOM 467 CA ASP A 31 -3.200 -5.388 5.462 1.00 0.00 C ATOM 468 C ASP A 31 -4.074 -6.586 5.813 1.00 0.00 C ATOM 469 O ASP A 31 -5.039 -6.465 6.567 1.00 0.00 O ATOM 470 CB ASP A 31 -3.625 -4.174 6.296 1.00 0.00 C ATOM 471 CG ASP A 31 -3.915 -2.955 5.442 1.00 0.00 C ATOM 472 OD1 ASP A 31 -2.956 -2.245 5.077 1.00 0.00 O ATOM 473 OD2 ASP A 31 -5.102 -2.711 5.139 1.00 0.00 O ATOM 0 H ASP A 31 -4.115 -4.568 3.761 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.166 -5.646 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.513 -4.428 6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.837 -3.934 7.010 1.00 0.00 H new ATOM 478 N MET A 32 -3.748 -7.739 5.233 1.00 0.00 N ATOM 479 CA MET A 32 -4.500 -8.959 5.500 1.00 0.00 C ATOM 480 C MET A 32 -3.567 -10.157 5.704 1.00 0.00 C ATOM 481 O MET A 32 -2.843 -10.240 6.701 1.00 0.00 O ATOM 482 CB MET A 32 -5.483 -9.230 4.357 1.00 0.00 C ATOM 483 CG MET A 32 -6.606 -8.210 4.267 1.00 0.00 C ATOM 484 SD MET A 32 -7.715 -8.519 2.879 1.00 0.00 S ATOM 485 CE MET A 32 -8.889 -9.645 3.629 1.00 0.00 C ATOM 0 H MET A 32 -2.973 -7.852 4.580 1.00 0.00 H new ATOM 0 HA MET A 32 -5.061 -8.817 6.424 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.937 -9.241 3.414 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.914 -10.223 4.487 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.179 -8.223 5.194 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.178 -7.212 4.170 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.642 -9.929 2.893 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.367 -10.536 3.977 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.374 -9.156 4.474 1.00 0.00 H new ATOM 495 N VAL A 33 -3.615 -11.099 4.767 1.00 0.00 N ATOM 496 CA VAL A 33 -2.786 -12.296 4.830 1.00 0.00 C ATOM 497 C VAL A 33 -2.151 -12.582 3.475 1.00 0.00 C ATOM 498 O VAL A 33 -2.673 -12.171 2.438 1.00 0.00 O ATOM 499 CB VAL A 33 -3.601 -13.531 5.269 1.00 0.00 C ATOM 500 CG1 VAL A 33 -2.681 -14.611 5.816 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.654 -13.148 6.298 1.00 0.00 C ATOM 0 H VAL A 33 -4.224 -11.055 3.950 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.009 -12.106 5.570 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.114 -13.929 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.273 -15.474 6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.973 -14.911 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.136 -14.223 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.215 -14.035 6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.168 -12.720 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.335 -12.414 5.866 1.00 0.00 H new ATOM 511 N GLY A 34 -1.029 -13.294 3.485 1.00 0.00 N ATOM 512 CA GLY A 34 -0.359 -13.633 2.243 1.00 0.00 C ATOM 513 C GLY A 34 -1.011 -14.812 1.546 1.00 0.00 C ATOM 514 O GLY A 34 -0.444 -15.904 1.495 1.00 0.00 O ATOM 0 H GLY A 34 -0.573 -13.642 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.369 -12.769 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.686 -13.866 2.447 1.00 0.00 H new ATOM 518 N GLU A 35 -2.212 -14.592 1.018 1.00 0.00 N ATOM 519 CA GLU A 35 -2.955 -15.639 0.329 1.00 0.00 C ATOM 520 C GLU A 35 -2.554 -15.708 -1.146 1.00 0.00 C ATOM 521 O GLU A 35 -2.366 -14.677 -1.792 1.00 0.00 O ATOM 522 CB GLU A 35 -4.460 -15.382 0.465 1.00 0.00 C ATOM 523 CG GLU A 35 -5.308 -16.105 -0.568 1.00 0.00 C ATOM 524 CD GLU A 35 -6.761 -16.222 -0.153 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.443 -15.179 -0.077 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.217 -17.358 0.095 1.00 0.00 O ATOM 0 H GLU A 35 -2.692 -13.693 1.055 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.716 -16.598 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.781 -15.687 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.644 -14.311 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.247 -15.574 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.900 -17.102 -0.733 1.00 0.00 H new ATOM 533 N PRO A 36 -2.416 -16.928 -1.700 1.00 0.00 N ATOM 534 CA PRO A 36 -2.022 -17.119 -3.101 1.00 0.00 C ATOM 535 C PRO A 36 -3.107 -16.689 -4.084 1.00 0.00 C ATOM 536 O PRO A 36 -2.819 -16.370 -5.238 1.00 0.00 O ATOM 537 CB PRO A 36 -1.782 -18.627 -3.201 1.00 0.00 C ATOM 538 CG PRO A 36 -2.621 -19.217 -2.122 1.00 0.00 C ATOM 539 CD PRO A 36 -2.612 -18.215 -1.002 1.00 0.00 C ATOM 0 HA PRO A 36 -1.153 -16.513 -3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.070 -19.009 -4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.729 -18.870 -3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.636 -19.402 -2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.218 -20.175 -1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.546 -18.230 -0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.810 -18.413 -0.291 1.00 0.00 H new ATOM 547 N CYS A 37 -4.356 -16.690 -3.625 1.00 0.00 N ATOM 548 CA CYS A 37 -5.483 -16.302 -4.469 1.00 0.00 C ATOM 549 C CYS A 37 -5.286 -14.896 -5.033 1.00 0.00 C ATOM 550 O CYS A 37 -4.728 -14.026 -4.364 1.00 0.00 O ATOM 551 CB CYS A 37 -6.788 -16.365 -3.674 1.00 0.00 C ATOM 552 SG CYS A 37 -7.424 -18.039 -3.428 1.00 0.00 S ATOM 0 H CYS A 37 -4.613 -16.955 -2.674 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.537 -17.003 -5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.630 -15.901 -2.700 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.544 -15.773 -4.190 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.528 -17.988 -2.744 1.00 0.00 H new ATOM 558 N PRO A 38 -5.744 -14.653 -6.275 1.00 0.00 N ATOM 559 CA PRO A 38 -5.611 -13.345 -6.923 1.00 0.00 C ATOM 560 C PRO A 38 -6.614 -12.328 -6.384 1.00 0.00 C ATOM 561 O PRO A 38 -7.636 -12.052 -7.014 1.00 0.00 O ATOM 562 CB PRO A 38 -5.894 -13.655 -8.391 1.00 0.00 C ATOM 563 CG PRO A 38 -6.818 -14.823 -8.355 1.00 0.00 C ATOM 564 CD PRO A 38 -6.422 -15.634 -7.148 1.00 0.00 C ATOM 0 HA PRO A 38 -4.634 -12.895 -6.749 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.350 -12.803 -8.895 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.977 -13.891 -8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.855 -14.497 -8.282 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.734 -15.415 -9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.291 -16.073 -6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.759 -16.456 -7.418 1.00 0.00 H new ATOM 572 N TYR A 39 -6.312 -11.774 -5.215 1.00 0.00 N ATOM 573 CA TYR A 39 -7.186 -10.789 -4.584 1.00 0.00 C ATOM 574 C TYR A 39 -6.384 -9.625 -3.988 1.00 0.00 C ATOM 575 O TYR A 39 -6.661 -8.464 -4.289 1.00 0.00 O ATOM 576 CB TYR A 39 -8.045 -11.451 -3.502 1.00 0.00 C ATOM 577 CG TYR A 39 -9.372 -10.764 -3.275 1.00 0.00 C ATOM 578 CD1 TYR A 39 -10.499 -11.132 -3.999 1.00 0.00 C ATOM 579 CD2 TYR A 39 -9.499 -9.748 -2.335 1.00 0.00 C ATOM 580 CE1 TYR A 39 -11.715 -10.507 -3.793 1.00 0.00 C ATOM 581 CE2 TYR A 39 -10.710 -9.118 -2.125 1.00 0.00 C ATOM 582 CZ TYR A 39 -11.815 -9.501 -2.856 1.00 0.00 C ATOM 583 OH TYR A 39 -13.024 -8.877 -2.649 1.00 0.00 O ATOM 0 H TYR A 39 -5.468 -11.990 -4.684 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.839 -10.383 -5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.226 -12.489 -3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.488 -11.464 -2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.424 -11.919 -4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.636 -9.446 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -12.582 -10.806 -4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -10.791 -8.329 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 39 -12.924 -8.192 -1.955 1.00 0.00 H new ATOM 593 N PRO A 40 -5.375 -9.907 -3.132 1.00 0.00 N ATOM 594 CA PRO A 40 -4.555 -8.856 -2.510 1.00 0.00 C ATOM 595 C PRO A 40 -3.753 -8.055 -3.537 1.00 0.00 C ATOM 596 O PRO A 40 -4.176 -6.985 -3.973 1.00 0.00 O ATOM 597 CB PRO A 40 -3.616 -9.633 -1.578 1.00 0.00 C ATOM 598 CG PRO A 40 -3.590 -11.017 -2.124 1.00 0.00 C ATOM 599 CD PRO A 40 -4.956 -11.254 -2.694 1.00 0.00 C ATOM 0 HA PRO A 40 -5.168 -8.117 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.618 -9.194 -1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.980 -9.621 -0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.822 -11.121 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.361 -11.742 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.929 -11.958 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.637 -11.666 -1.950 1.00 0.00 H new ATOM 607 N ALA A 41 -2.610 -8.607 -3.942 1.00 0.00 N ATOM 608 CA ALA A 41 -1.720 -7.959 -4.911 1.00 0.00 C ATOM 609 C ALA A 41 -2.372 -7.738 -6.273 1.00 0.00 C ATOM 610 O ALA A 41 -1.685 -7.403 -7.239 1.00 0.00 O ATOM 611 CB ALA A 41 -0.457 -8.783 -5.080 1.00 0.00 C ATOM 0 H ALA A 41 -2.274 -9.511 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.483 -6.974 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.201 -8.297 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.054 -8.866 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.717 -9.778 -5.440 1.00 0.00 H new ATOM 617 N VAL A 42 -3.686 -7.908 -6.354 1.00 0.00 N ATOM 618 CA VAL A 42 -4.399 -7.675 -7.603 1.00 0.00 C ATOM 619 C VAL A 42 -4.065 -6.289 -8.144 1.00 0.00 C ATOM 620 O VAL A 42 -4.048 -6.065 -9.355 1.00 0.00 O ATOM 621 CB VAL A 42 -5.927 -7.803 -7.420 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.503 -6.573 -6.732 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.606 -8.039 -8.761 1.00 0.00 C ATOM 0 H VAL A 42 -4.275 -8.204 -5.576 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.078 -8.437 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.120 -8.663 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.580 -6.692 -6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.044 -6.457 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.298 -5.689 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.682 -8.127 -8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.398 -7.201 -9.427 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.225 -8.958 -9.205 1.00 0.00 H new ATOM 633 N ALA A 43 -3.810 -5.361 -7.226 1.00 0.00 N ATOM 634 CA ALA A 43 -3.443 -3.997 -7.585 1.00 0.00 C ATOM 635 C ALA A 43 -2.013 -3.938 -8.110 1.00 0.00 C ATOM 636 O ALA A 43 -1.729 -3.255 -9.094 1.00 0.00 O ATOM 637 CB ALA A 43 -3.611 -3.074 -6.388 1.00 0.00 C ATOM 0 H ALA A 43 -3.852 -5.532 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.108 -3.662 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.333 -2.058 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.651 -3.088 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.970 -3.413 -5.574 1.00 0.00 H new ATOM 643 N THR A 44 -1.113 -4.649 -7.433 1.00 0.00 N ATOM 644 CA THR A 44 0.297 -4.675 -7.811 1.00 0.00 C ATOM 645 C THR A 44 0.468 -5.095 -9.271 1.00 0.00 C ATOM 646 O THR A 44 1.247 -4.493 -10.010 1.00 0.00 O ATOM 647 CB THR A 44 1.072 -5.619 -6.883 1.00 0.00 C ATOM 648 OG1 THR A 44 1.880 -4.877 -5.987 1.00 0.00 O ATOM 649 CG2 THR A 44 1.975 -6.599 -7.604 1.00 0.00 C ATOM 0 H THR A 44 -1.338 -5.217 -6.616 1.00 0.00 H new ATOM 0 HA THR A 44 0.700 -3.668 -7.706 1.00 0.00 H new ATOM 0 HB THR A 44 0.304 -6.191 -6.362 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.794 -5.232 -6.000 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.485 -7.228 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.377 -7.224 -8.267 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.713 -6.051 -8.189 1.00 0.00 H new ATOM 657 N LEU A 45 -0.252 -6.138 -9.674 1.00 0.00 N ATOM 658 CA LEU A 45 -0.167 -6.643 -11.039 1.00 0.00 C ATOM 659 C LEU A 45 -0.659 -5.603 -12.039 1.00 0.00 C ATOM 660 O LEU A 45 0.045 -5.261 -12.989 1.00 0.00 O ATOM 661 CB LEU A 45 -0.980 -7.932 -11.183 1.00 0.00 C ATOM 662 CG LEU A 45 -0.367 -9.166 -10.515 1.00 0.00 C ATOM 663 CD1 LEU A 45 -1.249 -10.386 -10.738 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.039 -9.421 -11.042 1.00 0.00 C ATOM 0 H LEU A 45 -0.900 -6.649 -9.075 1.00 0.00 H new ATOM 0 HA LEU A 45 0.880 -6.857 -11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.972 -7.766 -10.763 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.114 -8.142 -12.244 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.302 -8.978 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.798 -11.254 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.235 -10.205 -10.310 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.346 -10.574 -11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.456 -10.302 -10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.000 -9.587 -12.119 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.669 -8.557 -10.831 1.00 0.00 H new ATOM 676 N GLU A 46 -1.873 -5.101 -11.820 1.00 0.00 N ATOM 677 CA GLU A 46 -2.449 -4.094 -12.703 1.00 0.00 C ATOM 678 C GLU A 46 -1.685 -2.778 -12.589 1.00 0.00 C ATOM 679 O GLU A 46 -1.904 -1.851 -13.369 1.00 0.00 O ATOM 680 CB GLU A 46 -3.929 -3.877 -12.374 1.00 0.00 C ATOM 681 CG GLU A 46 -4.173 -3.337 -10.974 1.00 0.00 C ATOM 682 CD GLU A 46 -5.577 -2.796 -10.794 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.494 -3.602 -10.528 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.761 -1.568 -10.919 1.00 0.00 O ATOM 0 H GLU A 46 -2.473 -5.375 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.368 -4.453 -13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.355 -3.185 -13.100 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.459 -4.823 -12.486 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.997 -4.130 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.453 -2.546 -10.763 1.00 0.00 H new ATOM 691 N ALA A 47 -0.807 -2.697 -11.594 1.00 0.00 N ATOM 692 CA ALA A 47 0.014 -1.509 -11.394 1.00 0.00 C ATOM 693 C ALA A 47 1.115 -1.429 -12.446 1.00 0.00 C ATOM 694 O ALA A 47 1.448 -0.347 -12.931 1.00 0.00 O ATOM 695 CB ALA A 47 0.613 -1.505 -9.996 1.00 0.00 C ATOM 0 H ALA A 47 -0.646 -3.440 -10.914 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.624 -0.632 -11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.223 -0.611 -9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.188 -1.510 -9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.234 -2.391 -9.864 1.00 0.00 H new ATOM 701 N MET A 48 1.693 -2.583 -12.772 1.00 0.00 N ATOM 702 CA MET A 48 2.780 -2.659 -13.746 1.00 0.00 C ATOM 703 C MET A 48 2.440 -1.895 -15.033 1.00 0.00 C ATOM 704 O MET A 48 3.238 -1.078 -15.489 1.00 0.00 O ATOM 705 CB MET A 48 3.133 -4.130 -14.031 1.00 0.00 C ATOM 706 CG MET A 48 3.043 -4.534 -15.494 1.00 0.00 C ATOM 707 SD MET A 48 3.980 -6.030 -15.864 1.00 0.00 S ATOM 708 CE MET A 48 3.542 -6.288 -17.581 1.00 0.00 C ATOM 0 H MET A 48 1.425 -3.483 -12.374 1.00 0.00 H new ATOM 0 HA MET A 48 3.658 -2.175 -13.320 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.146 -4.321 -13.677 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.467 -4.768 -13.450 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.997 -4.691 -15.759 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.411 -3.717 -16.115 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.045 -7.180 -17.955 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.463 -6.418 -17.666 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.851 -5.424 -18.169 1.00 0.00 H new ATOM 718 N PRO A 49 1.246 -2.112 -15.628 1.00 0.00 N ATOM 719 CA PRO A 49 0.839 -1.391 -16.838 1.00 0.00 C ATOM 720 C PRO A 49 0.655 0.097 -16.563 1.00 0.00 C ATOM 721 O PRO A 49 1.257 0.943 -17.224 1.00 0.00 O ATOM 722 CB PRO A 49 -0.500 -2.034 -17.228 1.00 0.00 C ATOM 723 CG PRO A 49 -0.577 -3.298 -16.440 1.00 0.00 C ATOM 724 CD PRO A 49 0.201 -3.047 -15.182 1.00 0.00 C ATOM 0 HA PRO A 49 1.589 -1.460 -17.626 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.335 -1.374 -16.995 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.542 -2.235 -18.298 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.612 -3.555 -16.214 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.156 -4.133 -17.000 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.423 -2.614 -14.400 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.626 -3.966 -14.779 1.00 0.00 H new ATOM 732 N GLN A 50 -0.183 0.405 -15.575 1.00 0.00 N ATOM 733 CA GLN A 50 -0.449 1.787 -15.190 1.00 0.00 C ATOM 734 C GLN A 50 0.729 2.406 -14.434 1.00 0.00 C ATOM 735 O GLN A 50 0.567 3.415 -13.748 1.00 0.00 O ATOM 736 CB GLN A 50 -1.711 1.856 -14.326 1.00 0.00 C ATOM 737 CG GLN A 50 -2.660 2.978 -14.719 1.00 0.00 C ATOM 738 CD GLN A 50 -3.122 3.798 -13.529 1.00 0.00 C ATOM 739 OE1 GLN A 50 -2.616 3.639 -12.417 1.00 0.00 O ATOM 740 NE2 GLN A 50 -4.085 4.682 -13.757 1.00 0.00 N ATOM 0 H GLN A 50 -0.691 -0.288 -15.025 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.596 2.360 -16.105 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.239 0.905 -14.393 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.420 1.986 -13.284 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.165 3.633 -15.436 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.529 2.554 -15.222 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.476 4.780 -14.694 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.435 5.263 -12.995 1.00 0.00 H new ATOM 749 N LEU A 51 1.910 1.796 -14.556 1.00 0.00 N ATOM 750 CA LEU A 51 3.104 2.284 -13.871 1.00 0.00 C ATOM 751 C LEU A 51 3.291 3.786 -14.076 1.00 0.00 C ATOM 752 O LEU A 51 2.780 4.362 -15.037 1.00 0.00 O ATOM 753 CB LEU A 51 4.341 1.528 -14.368 1.00 0.00 C ATOM 754 CG LEU A 51 5.073 2.167 -15.552 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.447 2.661 -15.126 1.00 0.00 C ATOM 756 CD2 LEU A 51 5.194 1.178 -16.702 1.00 0.00 C ATOM 0 H LEU A 51 2.063 0.963 -15.124 1.00 0.00 H new ATOM 0 HA LEU A 51 2.975 2.105 -12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.043 1.430 -13.540 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.039 0.520 -14.651 1.00 0.00 H new ATOM 0 HG LEU A 51 4.491 3.023 -15.895 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.952 3.112 -15.980 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.338 3.403 -14.335 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.037 1.822 -14.757 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.717 1.650 -17.534 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.753 0.303 -16.372 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.199 0.872 -17.025 1.00 0.00 H new ATOM 768 N LYS A 52 4.031 4.412 -13.165 1.00 0.00 N ATOM 769 CA LYS A 52 4.288 5.846 -13.242 1.00 0.00 C ATOM 770 C LYS A 52 5.739 6.162 -12.892 1.00 0.00 C ATOM 771 O LYS A 52 6.566 5.259 -12.759 1.00 0.00 O ATOM 772 CB LYS A 52 3.347 6.604 -12.303 1.00 0.00 C ATOM 773 CG LYS A 52 2.271 7.397 -13.028 1.00 0.00 C ATOM 774 CD LYS A 52 2.850 8.621 -13.719 1.00 0.00 C ATOM 775 CE LYS A 52 1.806 9.713 -13.890 1.00 0.00 C ATOM 776 NZ LYS A 52 2.427 11.057 -14.048 1.00 0.00 N ATOM 0 H LYS A 52 4.463 3.949 -12.365 1.00 0.00 H new ATOM 0 HA LYS A 52 4.105 6.167 -14.267 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.870 5.893 -11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.934 7.284 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.782 6.759 -13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.505 7.708 -12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.688 9.006 -13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.243 8.337 -14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.190 9.493 -14.762 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.143 9.719 -13.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.681 11.773 -14.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.994 11.279 -13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.040 11.059 -14.888 1.00 0.00 H new ATOM 790 N LYS A 53 6.042 7.449 -12.745 1.00 0.00 N ATOM 791 CA LYS A 53 7.393 7.885 -12.411 1.00 0.00 C ATOM 792 C LYS A 53 7.584 7.963 -10.900 1.00 0.00 C ATOM 793 O LYS A 53 8.599 8.470 -10.418 1.00 0.00 O ATOM 794 CB LYS A 53 7.683 9.251 -13.041 1.00 0.00 C ATOM 795 CG LYS A 53 6.587 10.277 -12.800 1.00 0.00 C ATOM 796 CD LYS A 53 7.125 11.512 -12.094 1.00 0.00 C ATOM 797 CE LYS A 53 6.300 11.856 -10.864 1.00 0.00 C ATOM 798 NZ LYS A 53 4.954 12.380 -11.225 1.00 0.00 N ATOM 0 H LYS A 53 5.369 8.208 -12.852 1.00 0.00 H new ATOM 0 HA LYS A 53 8.091 7.150 -12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.622 9.634 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.821 9.125 -14.115 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.142 10.566 -13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.794 9.830 -12.200 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.161 11.343 -11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.122 12.356 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.189 10.968 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.830 12.598 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.424 12.602 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.059 13.242 -11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.437 11.662 -11.772 1.00 0.00 H new ATOM 812 N GLY A 54 6.604 7.460 -10.157 1.00 0.00 N ATOM 813 CA GLY A 54 6.683 7.483 -8.707 1.00 0.00 C ATOM 814 C GLY A 54 5.800 6.434 -8.061 1.00 0.00 C ATOM 815 O GLY A 54 4.884 6.763 -7.307 1.00 0.00 O ATOM 0 H GLY A 54 5.756 7.036 -10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.716 7.322 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.393 8.470 -8.346 1.00 0.00 H new ATOM 819 N GLU A 55 6.080 5.167 -8.351 1.00 0.00 N ATOM 820 CA GLU A 55 5.305 4.065 -7.792 1.00 0.00 C ATOM 821 C GLU A 55 5.790 3.713 -6.391 1.00 0.00 C ATOM 822 O GLU A 55 6.966 3.875 -6.072 1.00 0.00 O ATOM 823 CB GLU A 55 5.388 2.841 -8.710 1.00 0.00 C ATOM 824 CG GLU A 55 4.965 1.539 -8.046 1.00 0.00 C ATOM 825 CD GLU A 55 3.816 0.859 -8.764 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.366 1.390 -9.801 1.00 0.00 O ATOM 827 OE2 GLU A 55 3.368 -0.205 -8.290 1.00 0.00 O ATOM 0 H GLU A 55 6.838 4.878 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 55 4.264 4.381 -7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.760 3.012 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.412 2.738 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.818 0.861 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.675 1.740 -7.015 1.00 0.00 H new ATOM 834 N ILE A 56 4.863 3.247 -5.560 1.00 0.00 N ATOM 835 CA ILE A 56 5.161 2.868 -4.186 1.00 0.00 C ATOM 836 C ILE A 56 4.104 1.880 -3.697 1.00 0.00 C ATOM 837 O ILE A 56 3.028 1.768 -4.284 1.00 0.00 O ATOM 838 CB ILE A 56 5.202 4.109 -3.255 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.533 4.852 -3.404 1.00 0.00 C ATOM 840 CG2 ILE A 56 4.988 3.718 -1.799 1.00 0.00 C ATOM 841 CD1 ILE A 56 6.515 6.250 -2.823 1.00 0.00 C ATOM 0 H ILE A 56 3.885 3.122 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 56 6.145 2.401 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 56 4.389 4.770 -3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.318 4.275 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.791 4.910 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.023 4.610 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.016 3.236 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.772 3.027 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.490 6.715 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.753 6.844 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.289 6.199 -1.758 1.00 0.00 H new ATOM 853 N LEU A 57 4.427 1.104 -2.681 1.00 0.00 N ATOM 854 CA LEU A 57 3.473 0.145 -2.165 1.00 0.00 C ATOM 855 C LEU A 57 3.828 -0.296 -0.757 1.00 0.00 C ATOM 856 O LEU A 57 4.999 -0.469 -0.417 1.00 0.00 O ATOM 857 CB LEU A 57 3.384 -1.051 -3.101 1.00 0.00 C ATOM 858 CG LEU A 57 2.415 -2.136 -2.672 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.161 -2.054 -3.515 1.00 0.00 C ATOM 860 CD2 LEU A 57 3.058 -3.509 -2.787 1.00 0.00 C ATOM 0 H LEU A 57 5.328 1.118 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 57 2.498 0.629 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.094 -0.697 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.377 -1.490 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 57 2.149 -1.984 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.464 -2.834 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.696 -1.078 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.419 -2.192 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.345 -4.272 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.351 -3.688 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.940 -3.553 -2.148 1.00 0.00 H new ATOM 872 N GLU A 58 2.799 -0.474 0.052 1.00 0.00 N ATOM 873 CA GLU A 58 2.960 -0.883 1.434 1.00 0.00 C ATOM 874 C GLU A 58 2.126 -2.131 1.709 1.00 0.00 C ATOM 875 O GLU A 58 1.008 -2.251 1.218 1.00 0.00 O ATOM 876 CB GLU A 58 2.534 0.265 2.352 1.00 0.00 C ATOM 877 CG GLU A 58 2.568 1.630 1.670 1.00 0.00 C ATOM 878 CD GLU A 58 1.568 2.602 2.264 1.00 0.00 C ATOM 879 OE1 GLU A 58 1.746 2.995 3.437 1.00 0.00 O ATOM 880 OE2 GLU A 58 0.608 2.972 1.557 1.00 0.00 O ATOM 0 H GLU A 58 1.829 -0.339 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 58 4.006 -1.122 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.525 0.074 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.189 0.286 3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.571 2.049 1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.362 1.506 0.607 1.00 0.00 H new ATOM 887 N VAL A 59 2.689 -3.085 2.442 1.00 0.00 N ATOM 888 CA VAL A 59 1.981 -4.332 2.722 1.00 0.00 C ATOM 889 C VAL A 59 2.190 -4.789 4.161 1.00 0.00 C ATOM 890 O VAL A 59 3.281 -4.667 4.712 1.00 0.00 O ATOM 891 CB VAL A 59 2.428 -5.462 1.773 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.527 -6.678 1.927 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.441 -4.984 0.329 1.00 0.00 C ATOM 0 H VAL A 59 3.622 -3.022 2.849 1.00 0.00 H new ATOM 0 HA VAL A 59 0.923 -4.124 2.563 1.00 0.00 H new ATOM 0 HB VAL A 59 3.444 -5.750 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.858 -7.465 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.576 -7.040 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.500 -6.402 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.760 -5.799 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.440 -4.662 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.133 -4.148 0.229 1.00 0.00 H new ATOM 903 N VAL A 60 1.136 -5.342 4.751 1.00 0.00 N ATOM 904 CA VAL A 60 1.193 -5.854 6.115 1.00 0.00 C ATOM 905 C VAL A 60 0.277 -7.064 6.261 1.00 0.00 C ATOM 906 O VAL A 60 -0.945 -6.942 6.207 1.00 0.00 O ATOM 907 CB VAL A 60 0.789 -4.782 7.147 1.00 0.00 C ATOM 908 CG1 VAL A 60 2.022 -4.079 7.695 1.00 0.00 C ATOM 909 CG2 VAL A 60 -0.177 -3.779 6.536 1.00 0.00 C ATOM 0 H VAL A 60 0.226 -5.447 4.302 1.00 0.00 H new ATOM 0 HA VAL A 60 2.226 -6.143 6.310 1.00 0.00 H new ATOM 0 HB VAL A 60 0.281 -5.278 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.718 -3.326 8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.672 -4.808 8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.560 -3.599 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.448 -3.033 7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.298 -3.287 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.075 -4.297 6.199 1.00 0.00 H new ATOM 919 N SER A 61 0.868 -8.239 6.408 1.00 0.00 N ATOM 920 CA SER A 61 0.085 -9.460 6.524 1.00 0.00 C ATOM 921 C SER A 61 0.803 -10.507 7.359 1.00 0.00 C ATOM 922 O SER A 61 1.886 -10.261 7.891 1.00 0.00 O ATOM 923 CB SER A 61 -0.214 -10.023 5.133 1.00 0.00 C ATOM 924 OG SER A 61 0.979 -10.393 4.463 1.00 0.00 O ATOM 0 H SER A 61 1.878 -8.374 6.450 1.00 0.00 H new ATOM 0 HA SER A 61 -0.849 -9.210 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.868 -10.890 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.749 -9.279 4.544 1.00 0.00 H new ATOM 0 HG SER A 61 0.759 -10.751 3.578 1.00 0.00 H new ATOM 930 N ASP A 62 0.203 -11.687 7.441 1.00 0.00 N ATOM 931 CA ASP A 62 0.778 -12.787 8.204 1.00 0.00 C ATOM 932 C ASP A 62 1.097 -13.966 7.293 1.00 0.00 C ATOM 933 O ASP A 62 0.213 -14.510 6.631 1.00 0.00 O ATOM 934 CB ASP A 62 -0.181 -13.226 9.309 1.00 0.00 C ATOM 935 CG ASP A 62 0.390 -13.000 10.695 1.00 0.00 C ATOM 936 OD1 ASP A 62 0.864 -11.876 10.966 1.00 0.00 O ATOM 937 OD2 ASP A 62 0.362 -13.946 11.510 1.00 0.00 O ATOM 0 H ASP A 62 -0.684 -11.907 6.987 1.00 0.00 H new ATOM 0 HA ASP A 62 1.705 -12.438 8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.118 -12.678 9.212 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.415 -14.283 9.184 1.00 0.00 H new ATOM 942 N CYS A 63 2.371 -14.343 7.247 1.00 0.00 N ATOM 943 CA CYS A 63 2.813 -15.450 6.409 1.00 0.00 C ATOM 944 C CYS A 63 3.803 -16.341 7.158 1.00 0.00 C ATOM 945 O CYS A 63 4.955 -15.960 7.366 1.00 0.00 O ATOM 946 CB CYS A 63 3.461 -14.919 5.129 1.00 0.00 C ATOM 947 SG CYS A 63 4.107 -16.208 4.039 1.00 0.00 S ATOM 0 H CYS A 63 3.116 -13.896 7.782 1.00 0.00 H new ATOM 0 HA CYS A 63 1.938 -16.046 6.149 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.727 -14.329 4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.274 -14.245 5.399 1.00 0.00 H new ATOM 0 HG CYS A 63 4.568 -15.666 2.951 1.00 0.00 H new ATOM 953 N PRO A 64 3.366 -17.545 7.576 1.00 0.00 N ATOM 954 CA PRO A 64 4.225 -18.485 8.305 1.00 0.00 C ATOM 955 C PRO A 64 5.502 -18.811 7.539 1.00 0.00 C ATOM 956 O PRO A 64 6.544 -19.081 8.137 1.00 0.00 O ATOM 957 CB PRO A 64 3.355 -19.738 8.445 1.00 0.00 C ATOM 958 CG PRO A 64 1.954 -19.247 8.322 1.00 0.00 C ATOM 959 CD PRO A 64 2.007 -18.082 7.374 1.00 0.00 C ATOM 0 HA PRO A 64 4.557 -18.074 9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.587 -20.469 7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.519 -20.228 9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.298 -20.030 7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.560 -18.944 9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.847 -18.395 6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.242 -17.340 7.604 1.00 0.00 H new ATOM 967 N GLN A 65 5.413 -18.782 6.213 1.00 0.00 N ATOM 968 CA GLN A 65 6.560 -19.073 5.363 1.00 0.00 C ATOM 969 C GLN A 65 7.350 -17.803 5.060 1.00 0.00 C ATOM 970 O GLN A 65 7.203 -16.792 5.748 1.00 0.00 O ATOM 971 CB GLN A 65 6.099 -19.728 4.059 1.00 0.00 C ATOM 972 CG GLN A 65 5.891 -21.229 4.174 1.00 0.00 C ATOM 973 CD GLN A 65 4.426 -21.611 4.252 1.00 0.00 C ATOM 974 OE1 GLN A 65 3.850 -21.512 5.446 1.00 0.00 O flip ATOM 975 NE2 GLN A 65 3.817 -21.992 3.253 1.00 0.00 N flip ATOM 0 H GLN A 65 4.557 -18.560 5.704 1.00 0.00 H new ATOM 0 HA GLN A 65 7.213 -19.764 5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.166 -19.264 3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.837 -19.530 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.346 -21.722 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.406 -21.596 5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.297 -22.053 2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.832 -22.246 3.323 1.00 0.00 H new ATOM 984 N SER A 66 8.189 -17.864 4.031 1.00 0.00 N ATOM 985 CA SER A 66 9.006 -16.721 3.642 1.00 0.00 C ATOM 986 C SER A 66 8.510 -16.117 2.333 1.00 0.00 C ATOM 987 O SER A 66 8.816 -14.967 2.015 1.00 0.00 O ATOM 988 CB SER A 66 10.468 -17.145 3.494 1.00 0.00 C ATOM 989 OG SER A 66 11.324 -16.019 3.434 1.00 0.00 O ATOM 0 H SER A 66 8.321 -18.693 3.452 1.00 0.00 H new ATOM 0 HA SER A 66 8.926 -15.966 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.753 -17.777 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.586 -17.744 2.591 1.00 0.00 H new ATOM 0 HG SER A 66 12.252 -16.318 3.341 1.00 0.00 H new ATOM 995 N ILE A 67 7.753 -16.903 1.575 1.00 0.00 N ATOM 996 CA ILE A 67 7.217 -16.451 0.295 1.00 0.00 C ATOM 997 C ILE A 67 6.406 -15.168 0.462 1.00 0.00 C ATOM 998 O ILE A 67 5.413 -15.138 1.188 1.00 0.00 O ATOM 999 CB ILE A 67 6.332 -17.533 -0.355 1.00 0.00 C ATOM 1000 CG1 ILE A 67 7.158 -18.786 -0.651 1.00 0.00 C ATOM 1001 CG2 ILE A 67 5.688 -17.006 -1.629 1.00 0.00 C ATOM 1002 CD1 ILE A 67 6.442 -20.077 -0.317 1.00 0.00 C ATOM 0 H ILE A 67 7.496 -17.858 1.825 1.00 0.00 H new ATOM 0 HA ILE A 67 8.068 -16.253 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 67 5.539 -17.796 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.427 -18.792 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.089 -18.740 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.068 -17.785 -2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.070 -16.140 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.465 -16.715 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.088 -20.923 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.197 -20.093 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.525 -20.146 -0.902 1.00 0.00 H new ATOM 1014 N ASN A 68 6.845 -14.110 -0.213 1.00 0.00 N ATOM 1015 CA ASN A 68 6.169 -12.819 -0.143 1.00 0.00 C ATOM 1016 C ASN A 68 4.873 -12.838 -0.950 1.00 0.00 C ATOM 1017 O ASN A 68 4.825 -13.392 -2.043 1.00 0.00 O ATOM 1018 CB ASN A 68 7.089 -11.712 -0.662 1.00 0.00 C ATOM 1019 CG ASN A 68 8.553 -12.110 -0.630 1.00 0.00 C ATOM 1020 OD1 ASN A 68 9.091 -12.294 0.570 1.00 0.00 O flip ATOM 1021 ND2 ASN A 68 9.192 -12.252 -1.672 1.00 0.00 N flip ATOM 0 H ASN A 68 7.668 -14.122 -0.816 1.00 0.00 H new ATOM 0 HA ASN A 68 5.923 -12.621 0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.807 -11.459 -1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.947 -10.814 -0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.739 -12.100 -2.573 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.175 -12.521 -1.635 1.00 0.00 H new ATOM 1028 N ASN A 69 3.817 -12.256 -0.389 1.00 0.00 N ATOM 1029 CA ASN A 69 2.521 -12.215 -1.059 1.00 0.00 C ATOM 1030 C ASN A 69 2.521 -11.221 -2.221 1.00 0.00 C ATOM 1031 O ASN A 69 2.837 -11.583 -3.360 1.00 0.00 O ATOM 1032 CB ASN A 69 1.417 -11.856 -0.063 1.00 0.00 C ATOM 1033 CG ASN A 69 0.032 -11.942 -0.677 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -0.950 -11.351 -0.005 1.00 0.00 O flip ATOM 1035 ND2 ASN A 69 -0.153 -12.532 -1.741 1.00 0.00 N flip ATOM 0 H ASN A 69 3.833 -11.807 0.527 1.00 0.00 H new ATOM 0 HA ASN A 69 2.328 -13.208 -1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.473 -12.526 0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.583 -10.846 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.631 -12.972 -2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.090 -12.581 -2.141 1.00 0.00 H new ATOM 1042 N ILE A 70 2.146 -9.973 -1.934 1.00 0.00 N ATOM 1043 CA ILE A 70 2.093 -8.942 -2.965 1.00 0.00 C ATOM 1044 C ILE A 70 3.379 -8.920 -3.800 1.00 0.00 C ATOM 1045 O ILE A 70 3.320 -8.949 -5.029 1.00 0.00 O ATOM 1046 CB ILE A 70 1.853 -7.526 -2.392 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.626 -7.487 -1.455 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.699 -6.534 -3.539 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.560 -6.720 -2.006 1.00 0.00 C ATOM 0 H ILE A 70 1.877 -9.656 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 70 1.243 -9.206 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 70 2.717 -7.246 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.314 -8.510 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.923 -7.040 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.530 -5.535 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.606 -6.533 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.851 -6.824 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.376 -6.744 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.270 -5.686 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.888 -7.178 -2.939 1.00 0.00 H new ATOM 1061 N PRO A 71 4.562 -8.866 -3.149 1.00 0.00 N ATOM 1062 CA PRO A 71 5.848 -8.814 -3.856 1.00 0.00 C ATOM 1063 C PRO A 71 6.012 -9.925 -4.885 1.00 0.00 C ATOM 1064 O PRO A 71 6.628 -9.717 -5.927 1.00 0.00 O ATOM 1065 CB PRO A 71 6.876 -8.967 -2.738 1.00 0.00 C ATOM 1066 CG PRO A 71 6.193 -8.423 -1.537 1.00 0.00 C ATOM 1067 CD PRO A 71 4.749 -8.807 -1.684 1.00 0.00 C ATOM 0 HA PRO A 71 5.949 -7.893 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.158 -10.010 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.790 -8.416 -2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.618 -8.838 -0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.307 -7.341 -1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.538 -9.767 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.088 -8.073 -1.223 1.00 0.00 H new ATOM 1075 N LEU A 72 5.477 -11.107 -4.590 1.00 0.00 N ATOM 1076 CA LEU A 72 5.579 -12.231 -5.517 1.00 0.00 C ATOM 1077 C LEU A 72 4.946 -11.879 -6.856 1.00 0.00 C ATOM 1078 O LEU A 72 5.480 -12.210 -7.915 1.00 0.00 O ATOM 1079 CB LEU A 72 4.906 -13.476 -4.938 1.00 0.00 C ATOM 1080 CG LEU A 72 5.125 -14.760 -5.739 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.460 -15.393 -5.376 1.00 0.00 C ATOM 1082 CD2 LEU A 72 3.986 -15.738 -5.502 1.00 0.00 C ATOM 0 H LEU A 72 4.974 -11.311 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 72 6.637 -12.444 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.274 -13.631 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.835 -13.290 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 72 5.142 -14.506 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.599 -16.306 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.267 -14.695 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.472 -15.633 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.159 -16.646 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.935 -15.987 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.045 -15.284 -5.813 1.00 0.00 H new ATOM 1094 N ASP A 73 3.806 -11.198 -6.798 1.00 0.00 N ATOM 1095 CA ASP A 73 3.090 -10.800 -8.005 1.00 0.00 C ATOM 1096 C ASP A 73 3.934 -9.857 -8.863 1.00 0.00 C ATOM 1097 O ASP A 73 4.202 -10.140 -10.031 1.00 0.00 O ATOM 1098 CB ASP A 73 1.765 -10.126 -7.637 1.00 0.00 C ATOM 1099 CG ASP A 73 0.568 -11.018 -7.911 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.767 -12.140 -8.422 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.567 -10.593 -7.614 1.00 0.00 O ATOM 0 H ASP A 73 3.358 -10.910 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 73 2.886 -11.699 -8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.779 -9.855 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.662 -9.200 -8.203 1.00 0.00 H new ATOM 1106 N ALA A 74 4.351 -8.737 -8.277 1.00 0.00 N ATOM 1107 CA ALA A 74 5.159 -7.752 -8.991 1.00 0.00 C ATOM 1108 C ALA A 74 6.497 -8.342 -9.427 1.00 0.00 C ATOM 1109 O ALA A 74 7.012 -8.010 -10.492 1.00 0.00 O ATOM 1110 CB ALA A 74 5.381 -6.523 -8.123 1.00 0.00 C ATOM 0 H ALA A 74 4.143 -8.489 -7.310 1.00 0.00 H new ATOM 0 HA ALA A 74 4.614 -7.459 -9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.985 -5.797 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.419 -6.078 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.899 -6.812 -7.208 1.00 0.00 H new ATOM 1116 N ARG A 75 7.054 -9.213 -8.594 1.00 0.00 N ATOM 1117 CA ARG A 75 8.331 -9.849 -8.894 1.00 0.00 C ATOM 1118 C ARG A 75 8.198 -10.801 -10.078 1.00 0.00 C ATOM 1119 O ARG A 75 9.143 -10.987 -10.845 1.00 0.00 O ATOM 1120 CB ARG A 75 8.848 -10.608 -7.671 1.00 0.00 C ATOM 1121 CG ARG A 75 9.748 -9.770 -6.777 1.00 0.00 C ATOM 1122 CD ARG A 75 10.717 -10.636 -5.991 1.00 0.00 C ATOM 1123 NE ARG A 75 12.012 -10.747 -6.653 1.00 0.00 N ATOM 1124 CZ ARG A 75 12.901 -9.760 -6.707 1.00 0.00 C ATOM 1125 NH1 ARG A 75 12.636 -8.592 -6.136 1.00 0.00 N ATOM 1126 NH2 ARG A 75 14.057 -9.939 -7.330 1.00 0.00 N ATOM 0 H ARG A 75 6.641 -9.495 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 75 9.045 -9.068 -9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.999 -10.964 -7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.397 -11.488 -8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.306 -9.059 -7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.137 -9.188 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.854 -10.215 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.290 -11.630 -5.860 1.00 0.00 H new ATOM 0 HE ARG A 75 12.249 -11.633 -7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.748 -8.450 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.320 -7.836 -6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.266 -10.835 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.738 -9.180 -7.370 1.00 0.00 H new ATOM 1140 N ASN A 76 7.019 -11.399 -10.219 1.00 0.00 N ATOM 1141 CA ASN A 76 6.759 -12.326 -11.315 1.00 0.00 C ATOM 1142 C ASN A 76 6.985 -11.646 -12.660 1.00 0.00 C ATOM 1143 O ASN A 76 7.866 -12.039 -13.424 1.00 0.00 O ATOM 1144 CB ASN A 76 5.327 -12.857 -11.233 1.00 0.00 C ATOM 1145 CG ASN A 76 5.083 -14.011 -12.186 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.611 -15.107 -12.001 1.00 0.00 O ATOM 1147 ND2 ASN A 76 4.281 -13.767 -13.217 1.00 0.00 N ATOM 0 H ASN A 76 6.229 -11.258 -9.589 1.00 0.00 H new ATOM 0 HA ASN A 76 7.453 -13.162 -11.227 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.121 -13.182 -10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.630 -12.050 -11.458 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.082 -14.504 -13.894 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.864 -12.843 -13.332 1.00 0.00 H new ATOM 1154 N HIS A 77 6.191 -10.616 -12.937 1.00 0.00 N ATOM 1155 CA HIS A 77 6.319 -9.868 -14.182 1.00 0.00 C ATOM 1156 C HIS A 77 7.604 -9.048 -14.182 1.00 0.00 C ATOM 1157 O HIS A 77 8.270 -8.914 -15.208 1.00 0.00 O ATOM 1158 CB HIS A 77 5.113 -8.949 -14.379 1.00 0.00 C ATOM 1159 CG HIS A 77 3.825 -9.686 -14.585 1.00 0.00 C ATOM 1160 ND1 HIS A 77 3.411 -10.661 -13.711 1.00 0.00 N ATOM 1161 CD2 HIS A 77 2.905 -9.552 -15.571 1.00 0.00 C ATOM 1162 CE1 HIS A 77 2.254 -11.100 -14.178 1.00 0.00 C ATOM 1163 NE2 HIS A 77 1.909 -10.456 -15.303 1.00 0.00 N ATOM 0 H HIS A 77 5.454 -10.281 -12.317 1.00 0.00 H new ATOM 0 HA HIS A 77 6.357 -10.580 -15.007 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.015 -8.300 -13.509 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.295 -8.304 -15.239 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.948 -8.867 -16.405 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.664 -11.876 -13.714 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.065 -10.610 -15.855 1.00 0.00 H new ATOM 1171 N GLY A 78 7.948 -8.509 -13.016 1.00 0.00 N ATOM 1172 CA GLY A 78 9.160 -7.724 -12.883 1.00 0.00 C ATOM 1173 C GLY A 78 8.890 -6.240 -12.742 1.00 0.00 C ATOM 1174 O GLY A 78 8.514 -5.575 -13.708 1.00 0.00 O ATOM 0 H GLY A 78 7.405 -8.603 -12.158 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.718 -8.071 -12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.793 -7.892 -13.755 1.00 0.00 H new ATOM 1178 N TYR A 79 9.096 -5.717 -11.536 1.00 0.00 N ATOM 1179 CA TYR A 79 8.883 -4.299 -11.269 1.00 0.00 C ATOM 1180 C TYR A 79 10.208 -3.582 -11.026 1.00 0.00 C ATOM 1181 O TYR A 79 11.273 -4.090 -11.379 1.00 0.00 O ATOM 1182 CB TYR A 79 7.956 -4.114 -10.066 1.00 0.00 C ATOM 1183 CG TYR A 79 6.766 -3.230 -10.356 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.936 -1.883 -10.646 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.477 -3.744 -10.353 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.854 -1.070 -10.918 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.388 -2.937 -10.623 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.584 -1.603 -10.905 1.00 0.00 C ATOM 1189 OH TYR A 79 3.504 -0.796 -11.175 1.00 0.00 O ATOM 0 H TYR A 79 9.410 -6.255 -10.728 1.00 0.00 H new ATOM 0 HA TYR A 79 8.412 -3.859 -12.148 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.602 -5.091 -9.736 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.525 -3.686 -9.241 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.931 -1.464 -10.659 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.322 -4.791 -10.136 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.002 -0.023 -11.139 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.390 -3.350 -10.613 1.00 0.00 H new ATOM 0 HH TYR A 79 3.763 0.143 -11.069 1.00 0.00 H new ATOM 1199 N THR A 80 10.136 -2.395 -10.430 1.00 0.00 N ATOM 1200 CA THR A 80 11.329 -1.604 -10.152 1.00 0.00 C ATOM 1201 C THR A 80 12.001 -2.057 -8.861 1.00 0.00 C ATOM 1202 O THR A 80 13.042 -2.714 -8.890 1.00 0.00 O ATOM 1203 CB THR A 80 10.971 -0.119 -10.060 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.993 0.221 -11.028 1.00 0.00 O ATOM 1205 CG2 THR A 80 12.157 0.799 -10.263 1.00 0.00 C ATOM 0 H THR A 80 9.263 -1.960 -10.130 1.00 0.00 H new ATOM 0 HA THR A 80 12.030 -1.754 -10.973 1.00 0.00 H new ATOM 0 HB THR A 80 10.593 0.024 -9.048 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.103 0.192 -10.618 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.832 1.836 -10.185 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.909 0.596 -9.500 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.586 0.627 -11.250 1.00 0.00 H new ATOM 1213 N VAL A 81 11.402 -1.699 -7.728 1.00 0.00 N ATOM 1214 CA VAL A 81 11.955 -2.062 -6.428 1.00 0.00 C ATOM 1215 C VAL A 81 11.012 -2.981 -5.658 1.00 0.00 C ATOM 1216 O VAL A 81 9.867 -2.626 -5.389 1.00 0.00 O ATOM 1217 CB VAL A 81 12.252 -0.816 -5.572 1.00 0.00 C ATOM 1218 CG1 VAL A 81 12.988 -1.205 -4.300 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.052 0.203 -6.369 1.00 0.00 C ATOM 0 H VAL A 81 10.537 -1.160 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 81 12.888 -2.590 -6.624 1.00 0.00 H new ATOM 0 HB VAL A 81 11.304 -0.358 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.189 -0.312 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.373 -1.894 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.930 -1.689 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.252 1.076 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.996 -0.242 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.482 0.506 -7.248 1.00 0.00 H new ATOM 1229 N LEU A 82 11.514 -4.156 -5.302 1.00 0.00 N ATOM 1230 CA LEU A 82 10.745 -5.138 -4.545 1.00 0.00 C ATOM 1231 C LEU A 82 11.536 -5.599 -3.324 1.00 0.00 C ATOM 1232 O LEU A 82 12.407 -6.463 -3.431 1.00 0.00 O ATOM 1233 CB LEU A 82 10.410 -6.344 -5.431 1.00 0.00 C ATOM 1234 CG LEU A 82 8.985 -6.375 -5.992 1.00 0.00 C ATOM 1235 CD1 LEU A 82 7.970 -6.425 -4.862 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.734 -5.171 -6.888 1.00 0.00 C ATOM 0 H LEU A 82 12.462 -4.456 -5.528 1.00 0.00 H new ATOM 0 HA LEU A 82 9.817 -4.672 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.111 -6.365 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.574 -7.254 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 82 8.872 -7.276 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.963 -6.447 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.135 -7.321 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.083 -5.543 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.716 -5.212 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.866 -4.255 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.440 -5.182 -7.719 1.00 0.00 H new ATOM 1248 N ASP A 83 11.256 -5.001 -2.168 1.00 0.00 N ATOM 1249 CA ASP A 83 11.971 -5.344 -0.944 1.00 0.00 C ATOM 1250 C ASP A 83 11.006 -5.664 0.190 1.00 0.00 C ATOM 1251 O ASP A 83 9.970 -5.017 0.340 1.00 0.00 O ATOM 1252 CB ASP A 83 12.892 -4.194 -0.529 1.00 0.00 C ATOM 1253 CG ASP A 83 14.350 -4.484 -0.828 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.698 -4.611 -2.020 1.00 0.00 O ATOM 1255 OD2 ASP A 83 15.144 -4.582 0.132 1.00 0.00 O ATOM 0 H ASP A 83 10.543 -4.281 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 83 12.569 -6.233 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.591 -3.285 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.774 -4.004 0.538 1.00 0.00 H new ATOM 1260 N ILE A 84 11.355 -6.668 0.990 1.00 0.00 N ATOM 1261 CA ILE A 84 10.520 -7.078 2.112 1.00 0.00 C ATOM 1262 C ILE A 84 11.362 -7.370 3.350 1.00 0.00 C ATOM 1263 O ILE A 84 12.572 -7.581 3.259 1.00 0.00 O ATOM 1264 CB ILE A 84 9.673 -8.323 1.768 1.00 0.00 C ATOM 1265 CG1 ILE A 84 10.544 -9.588 1.740 1.00 0.00 C ATOM 1266 CG2 ILE A 84 8.960 -8.129 0.437 1.00 0.00 C ATOM 1267 CD1 ILE A 84 11.542 -9.627 0.602 1.00 0.00 C ATOM 0 H ILE A 84 12.211 -7.212 0.881 1.00 0.00 H new ATOM 0 HA ILE A 84 9.849 -6.245 2.322 1.00 0.00 H new ATOM 0 HB ILE A 84 8.921 -8.451 2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.083 -9.666 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.895 -10.461 1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.368 -9.015 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.305 -7.260 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.697 -7.973 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.117 -10.552 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.011 -9.582 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.217 -8.775 0.681 1.00 0.00 H new ATOM 1279 N GLN A 85 10.709 -7.380 4.507 1.00 0.00 N ATOM 1280 CA GLN A 85 11.383 -7.653 5.770 1.00 0.00 C ATOM 1281 C GLN A 85 10.443 -8.361 6.739 1.00 0.00 C ATOM 1282 O GLN A 85 9.223 -8.252 6.623 1.00 0.00 O ATOM 1283 CB GLN A 85 11.894 -6.353 6.394 1.00 0.00 C ATOM 1284 CG GLN A 85 13.053 -6.556 7.357 1.00 0.00 C ATOM 1285 CD GLN A 85 12.868 -5.805 8.660 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.605 -4.865 8.956 1.00 0.00 O ATOM 1287 NE2 GLN A 85 11.882 -6.217 9.445 1.00 0.00 N ATOM 0 H GLN A 85 9.709 -7.201 4.596 1.00 0.00 H new ATOM 0 HA GLN A 85 12.232 -8.306 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.207 -5.676 5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.074 -5.866 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.163 -7.620 7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.977 -6.228 6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.296 -7.001 9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.710 -5.750 10.335 1.00 0.00 H new ATOM 1296 N GLN A 86 11.016 -9.088 7.691 1.00 0.00 N ATOM 1297 CA GLN A 86 10.224 -9.820 8.673 1.00 0.00 C ATOM 1298 C GLN A 86 10.627 -9.437 10.091 1.00 0.00 C ATOM 1299 O GLN A 86 11.771 -9.054 10.338 1.00 0.00 O ATOM 1300 CB GLN A 86 10.391 -11.329 8.474 1.00 0.00 C ATOM 1301 CG GLN A 86 11.092 -11.703 7.176 1.00 0.00 C ATOM 1302 CD GLN A 86 10.859 -13.147 6.781 1.00 0.00 C ATOM 1303 OE1 GLN A 86 10.690 -14.018 7.635 1.00 0.00 O ATOM 1304 NE2 GLN A 86 10.849 -13.410 5.479 1.00 0.00 N ATOM 0 H GLN A 86 12.025 -9.187 7.804 1.00 0.00 H new ATOM 0 HA GLN A 86 9.177 -9.555 8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.957 -11.736 9.312 1.00 0.00 H new ATOM 0 HB3 GLN A 86 9.408 -11.800 8.494 1.00 0.00 H new ATOM 0 HG2 GLN A 86 10.740 -11.051 6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.163 -11.528 7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 86 10.993 -12.658 4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.697 -14.364 5.153 1.00 0.00 H new ATOM 1313 N ASP A 87 9.682 -9.539 11.021 1.00 0.00 N ATOM 1314 CA ASP A 87 9.947 -9.206 12.415 1.00 0.00 C ATOM 1315 C ASP A 87 9.821 -10.441 13.297 1.00 0.00 C ATOM 1316 O ASP A 87 10.821 -11.059 13.664 1.00 0.00 O ATOM 1317 CB ASP A 87 8.980 -8.121 12.894 1.00 0.00 C ATOM 1318 CG ASP A 87 9.700 -6.927 13.490 1.00 0.00 C ATOM 1319 OD1 ASP A 87 10.624 -7.135 14.303 1.00 0.00 O ATOM 1320 OD2 ASP A 87 9.338 -5.783 13.143 1.00 0.00 O ATOM 0 H ASP A 87 8.728 -9.849 10.834 1.00 0.00 H new ATOM 0 HA ASP A 87 10.967 -8.830 12.488 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.366 -7.790 12.057 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.304 -8.543 13.638 1.00 0.00 H new ATOM 1325 N GLY A 88 8.586 -10.798 13.628 1.00 0.00 N ATOM 1326 CA GLY A 88 8.345 -11.965 14.452 1.00 0.00 C ATOM 1327 C GLY A 88 7.136 -12.754 13.986 1.00 0.00 C ATOM 1328 O GLY A 88 7.262 -13.646 13.148 1.00 0.00 O ATOM 0 H GLY A 88 7.745 -10.298 13.339 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.225 -12.608 14.435 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.197 -11.654 15.486 1.00 0.00 H new ATOM 1332 N PRO A 89 5.937 -12.431 14.501 1.00 0.00 N ATOM 1333 CA PRO A 89 4.707 -13.124 14.130 1.00 0.00 C ATOM 1334 C PRO A 89 4.064 -12.552 12.870 1.00 0.00 C ATOM 1335 O PRO A 89 3.035 -13.045 12.411 1.00 0.00 O ATOM 1336 CB PRO A 89 3.812 -12.879 15.341 1.00 0.00 C ATOM 1337 CG PRO A 89 4.224 -11.535 15.841 1.00 0.00 C ATOM 1338 CD PRO A 89 5.690 -11.384 15.512 1.00 0.00 C ATOM 0 HA PRO A 89 4.879 -14.175 13.899 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.758 -12.894 15.065 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.954 -13.647 16.102 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.637 -10.748 15.367 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.057 -11.453 16.915 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.911 -10.391 15.121 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.314 -11.526 16.394 1.00 0.00 H new ATOM 1346 N THR A 90 4.666 -11.496 12.323 1.00 0.00 N ATOM 1347 CA THR A 90 4.139 -10.860 11.119 1.00 0.00 C ATOM 1348 C THR A 90 5.260 -10.525 10.139 1.00 0.00 C ATOM 1349 O THR A 90 6.421 -10.872 10.364 1.00 0.00 O ATOM 1350 CB THR A 90 3.363 -9.589 11.474 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.241 -8.483 11.592 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.582 -9.696 12.766 1.00 0.00 C ATOM 0 H THR A 90 5.514 -11.066 12.693 1.00 0.00 H new ATOM 0 HA THR A 90 3.461 -11.567 10.642 1.00 0.00 H new ATOM 0 HB THR A 90 2.655 -9.449 10.657 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.727 -7.680 11.817 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.058 -8.759 12.953 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.858 -10.507 12.688 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.267 -9.899 13.589 1.00 0.00 H new ATOM 1360 N ILE A 91 4.903 -9.846 9.055 1.00 0.00 N ATOM 1361 CA ILE A 91 5.865 -9.483 8.023 1.00 0.00 C ATOM 1362 C ILE A 91 5.435 -8.209 7.293 1.00 0.00 C ATOM 1363 O ILE A 91 4.244 -7.925 7.169 1.00 0.00 O ATOM 1364 CB ILE A 91 6.036 -10.639 7.021 1.00 0.00 C ATOM 1365 CG1 ILE A 91 6.884 -10.207 5.823 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.677 -11.145 6.571 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.716 -11.326 5.236 1.00 0.00 C ATOM 0 H ILE A 91 3.950 -9.535 8.868 1.00 0.00 H new ATOM 0 HA ILE A 91 6.822 -9.290 8.507 1.00 0.00 H new ATOM 0 HB ILE A 91 6.562 -11.453 7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.228 -9.808 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.545 -9.396 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.810 -11.963 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.117 -11.501 7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.128 -10.335 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.291 -10.947 4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.397 -11.710 5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.060 -12.128 4.898 1.00 0.00 H new ATOM 1379 N ARG A 92 6.417 -7.446 6.815 1.00 0.00 N ATOM 1380 CA ARG A 92 6.163 -6.188 6.144 1.00 0.00 C ATOM 1381 C ARG A 92 6.771 -6.186 4.741 1.00 0.00 C ATOM 1382 O ARG A 92 7.924 -6.570 4.556 1.00 0.00 O ATOM 1383 CB ARG A 92 6.762 -5.053 6.981 1.00 0.00 C ATOM 1384 CG ARG A 92 6.923 -3.756 6.220 1.00 0.00 C ATOM 1385 CD ARG A 92 5.572 -3.169 5.875 1.00 0.00 C ATOM 1386 NE ARG A 92 5.653 -2.190 4.795 1.00 0.00 N ATOM 1387 CZ ARG A 92 5.474 -0.884 4.972 1.00 0.00 C ATOM 1388 NH1 ARG A 92 5.202 -0.404 6.179 1.00 0.00 N ATOM 1389 NH2 ARG A 92 5.566 -0.055 3.940 1.00 0.00 N ATOM 0 H ARG A 92 7.405 -7.688 6.885 1.00 0.00 H new ATOM 0 HA ARG A 92 5.087 -6.047 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.126 -4.878 7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.736 -5.366 7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.492 -3.045 6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.493 -3.932 5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 92 4.893 -3.971 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.147 -2.696 6.760 1.00 0.00 H new ATOM 0 HE ARG A 92 5.858 -2.526 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.130 -1.037 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.065 0.598 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.774 -0.419 3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.429 0.946 4.076 1.00 0.00 H new ATOM 1403 N TYR A 93 5.988 -5.746 3.758 1.00 0.00 N ATOM 1404 CA TYR A 93 6.449 -5.692 2.372 1.00 0.00 C ATOM 1405 C TYR A 93 6.311 -4.275 1.818 1.00 0.00 C ATOM 1406 O TYR A 93 5.388 -3.550 2.182 1.00 0.00 O ATOM 1407 CB TYR A 93 5.648 -6.658 1.491 1.00 0.00 C ATOM 1408 CG TYR A 93 5.336 -7.998 2.128 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.422 -8.107 3.169 1.00 0.00 C ATOM 1410 CD2 TYR A 93 5.914 -9.163 1.643 1.00 0.00 C ATOM 1411 CE1 TYR A 93 4.123 -9.335 3.730 1.00 0.00 C ATOM 1412 CE2 TYR A 93 5.617 -10.392 2.194 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.721 -10.475 3.234 1.00 0.00 C ATOM 1414 OH TYR A 93 4.427 -11.700 3.783 1.00 0.00 O ATOM 0 H TYR A 93 5.031 -5.422 3.896 1.00 0.00 H new ATOM 0 HA TYR A 93 7.498 -5.987 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.710 -6.178 1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.204 -6.831 0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.937 -7.218 3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.609 -9.106 0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.425 -9.401 4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.086 -11.286 1.810 1.00 0.00 H new ATOM 0 HH TYR A 93 4.933 -12.398 3.316 1.00 0.00 H new ATOM 1424 N LEU A 94 7.230 -3.883 0.936 1.00 0.00 N ATOM 1425 CA LEU A 94 7.187 -2.550 0.342 1.00 0.00 C ATOM 1426 C LEU A 94 7.885 -2.513 -1.015 1.00 0.00 C ATOM 1427 O LEU A 94 8.971 -3.067 -1.182 1.00 0.00 O ATOM 1428 CB LEU A 94 7.835 -1.532 1.283 1.00 0.00 C ATOM 1429 CG LEU A 94 9.002 -2.069 2.113 1.00 0.00 C ATOM 1430 CD1 LEU A 94 10.141 -1.063 2.147 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.540 -2.406 3.523 1.00 0.00 C ATOM 0 H LEU A 94 8.006 -4.464 0.620 1.00 0.00 H new ATOM 0 HA LEU A 94 6.139 -2.293 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.188 -0.687 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.072 -1.150 1.961 1.00 0.00 H new ATOM 0 HG LEU A 94 9.368 -2.982 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.962 -1.463 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.488 -0.872 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.791 -0.132 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.382 -2.787 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.148 -1.509 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.758 -3.164 3.478 1.00 0.00 H new ATOM 1443 N ILE A 95 7.265 -1.829 -1.974 1.00 0.00 N ATOM 1444 CA ILE A 95 7.838 -1.678 -3.308 1.00 0.00 C ATOM 1445 C ILE A 95 7.789 -0.214 -3.744 1.00 0.00 C ATOM 1446 O ILE A 95 6.946 0.549 -3.276 1.00 0.00 O ATOM 1447 CB ILE A 95 7.119 -2.574 -4.353 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.099 -1.774 -5.175 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.434 -3.743 -3.664 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.634 -1.291 -6.506 1.00 0.00 C ATOM 0 H ILE A 95 6.363 -1.369 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 95 8.877 -2.003 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 95 7.876 -2.956 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.220 -2.395 -5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.770 -0.914 -4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.934 -4.362 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.177 -4.340 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.699 -3.366 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.857 -0.734 -7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.495 -0.643 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.936 -2.147 -7.109 1.00 0.00 H new ATOM 1462 N GLN A 96 8.706 0.179 -4.622 1.00 0.00 N ATOM 1463 CA GLN A 96 8.754 1.558 -5.099 1.00 0.00 C ATOM 1464 C GLN A 96 9.394 1.644 -6.482 1.00 0.00 C ATOM 1465 O GLN A 96 9.976 0.676 -6.971 1.00 0.00 O ATOM 1466 CB GLN A 96 9.529 2.432 -4.109 1.00 0.00 C ATOM 1467 CG GLN A 96 11.019 2.131 -4.059 1.00 0.00 C ATOM 1468 CD GLN A 96 11.589 2.239 -2.658 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.331 1.392 -1.803 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.369 3.287 -2.415 1.00 0.00 N ATOM 0 H GLN A 96 9.421 -0.432 -5.016 1.00 0.00 H new ATOM 0 HA GLN A 96 7.730 1.922 -5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.388 3.479 -4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.107 2.298 -3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.196 1.126 -4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.548 2.821 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.557 3.965 -3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 96 12.780 3.413 -1.490 1.00 0.00 H new ATOM 1479 N LYS A 97 9.292 2.818 -7.102 1.00 0.00 N ATOM 1480 CA LYS A 97 9.866 3.038 -8.425 1.00 0.00 C ATOM 1481 C LYS A 97 10.836 4.215 -8.408 1.00 0.00 C ATOM 1482 O LYS A 97 10.425 5.312 -7.973 1.00 0.00 O ATOM 1483 CB LYS A 97 8.757 3.293 -9.449 1.00 0.00 C ATOM 1484 CG LYS A 97 9.275 3.627 -10.840 1.00 0.00 C ATOM 1485 CD LYS A 97 8.513 2.873 -11.918 1.00 0.00 C ATOM 1486 CE LYS A 97 9.382 2.618 -13.139 1.00 0.00 C ATOM 1487 NZ LYS A 97 9.286 1.208 -13.605 1.00 0.00 N ATOM 1488 OXT LYS A 97 11.996 4.030 -8.830 1.00 0.00 O ATOM 0 H LYS A 97 8.817 3.630 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 97 10.415 2.140 -8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.121 2.410 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.131 4.113 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.186 4.699 -11.014 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.335 3.380 -10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.158 1.923 -11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.632 3.445 -12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.081 3.288 -13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.420 2.852 -12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.678 1.132 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.824 0.592 -12.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.289 0.912 -13.614 1.00 0.00 H new TER 1502 LYS A 97