USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 969 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 39 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=-0.46) USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 ASN : amide:sc= -0.0516 K(o=0.65,f=-1) USER MOD Set 2.2: A 31 THR OG1 : rot 72:sc= 0.705 USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= -0.222 USER MOD Set 3.2: A 116 GLN : amide:sc= -1.16 K(o=-1.4,f=-5.9!) USER MOD Set 4.1: A 16 CYS SG : rot -160:sc= 1.44 USER MOD Set 4.2: A 17 CYS SG : rot 53:sc= 0.643 USER MOD Set 4.3: A 104 LYS NZ :NH3+ -171:sc= 1.54 (180deg=0.576) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0823 (180deg=-0.427) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0928 (180deg=-0.0884) USER MOD Single : A 3 GLN : amide:sc=0.000461 X(o=0.00046,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.16) USER MOD Single : A 6 ASN : amide:sc= -0.799 K(o=-0.8,f=-2.6!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 15 CYS SG : rot -40:sc= 0.188 USER MOD Single : A 20 MET CE :methyl -165:sc= -0.176 (180deg=-0.522) USER MOD Single : A 21 THR OG1 : rot 163:sc= 0.751 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.416 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0521 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 143:sc= -1.44 (180deg=-2.67!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.033 USER MOD Single : A 53 SER OG : rot -74:sc= 0.279 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl 172:sc= 0 (180deg=-0.0792) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= 0.532 (180deg=0.479) USER MOD Single : A 79 CYS SG : rot -33:sc= 0.0758 USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.106 F(o=-1.6!,f=-0.11) USER MOD Single : A 93 MET CE :methyl 173:sc= -1.32 (180deg=-1.43) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 150:sc= 0 USER MOD Single : A 102 THR OG1 : rot 54:sc= 1.27 USER MOD Single : A 105 SER OG : rot -138:sc= 0.543 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-0.88) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 127 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.611 -37.484 -17.489 1.00 0.00 N ATOM 2 CA MET A 1 -12.338 -36.221 -16.736 1.00 0.00 C ATOM 3 C MET A 1 -11.001 -36.314 -15.961 1.00 0.00 C ATOM 4 O MET A 1 -10.250 -37.282 -16.122 1.00 0.00 O ATOM 5 CB MET A 1 -13.519 -35.892 -15.778 1.00 0.00 C ATOM 6 CG MET A 1 -14.863 -35.645 -16.482 1.00 0.00 C ATOM 7 SD MET A 1 -16.200 -35.259 -15.324 1.00 0.00 S ATOM 8 CE MET A 1 -16.283 -36.747 -14.320 1.00 0.00 C ATOM 0 H1 MET A 1 -12.765 -37.263 -18.493 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.798 -38.126 -17.397 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.460 -37.943 -17.101 1.00 0.00 H new ATOM 0 HA MET A 1 -12.246 -35.407 -17.455 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.638 -36.715 -15.074 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.261 -35.008 -15.195 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.752 -34.823 -17.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.133 -36.529 -17.060 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.232 -36.773 -13.785 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.205 -37.624 -14.962 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.462 -36.748 -13.603 1.00 0.00 H new ATOM 20 N GLY A 2 -10.715 -35.288 -15.130 1.00 0.00 N ATOM 21 CA GLY A 2 -9.481 -35.232 -14.333 1.00 0.00 C ATOM 22 C GLY A 2 -8.262 -34.740 -15.124 1.00 0.00 C ATOM 23 O GLY A 2 -8.408 -34.123 -16.188 1.00 0.00 O ATOM 0 H GLY A 2 -11.330 -34.485 -14.997 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.639 -34.574 -13.479 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.269 -36.225 -13.936 1.00 0.00 H new ATOM 27 N GLN A 3 -7.055 -35.017 -14.588 1.00 0.00 N ATOM 28 CA GLN A 3 -5.771 -34.611 -15.206 1.00 0.00 C ATOM 29 C GLN A 3 -4.575 -35.312 -14.511 1.00 0.00 C ATOM 30 O GLN A 3 -4.756 -36.098 -13.570 1.00 0.00 O ATOM 31 CB GLN A 3 -5.578 -33.062 -15.133 1.00 0.00 C ATOM 32 CG GLN A 3 -5.475 -32.494 -13.700 1.00 0.00 C ATOM 33 CD GLN A 3 -5.191 -30.998 -13.672 1.00 0.00 C ATOM 34 OE1 GLN A 3 -6.101 -30.175 -13.652 1.00 0.00 O ATOM 35 NE2 GLN A 3 -3.924 -30.631 -13.684 1.00 0.00 N ATOM 0 H GLN A 3 -6.941 -35.529 -13.713 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.803 -34.915 -16.252 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.674 -32.795 -15.681 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.413 -32.581 -15.642 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.406 -32.691 -13.169 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.685 -33.018 -13.163 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.189 -31.338 -13.701 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.680 -29.641 -13.677 1.00 0.00 H new ATOM 44 N GLY A 4 -3.357 -35.004 -14.989 1.00 0.00 N ATOM 45 CA GLY A 4 -2.110 -35.444 -14.341 1.00 0.00 C ATOM 46 C GLY A 4 -1.171 -34.272 -14.030 1.00 0.00 C ATOM 47 O GLY A 4 -1.621 -33.127 -13.873 1.00 0.00 O ATOM 0 H GLY A 4 -3.210 -34.446 -15.830 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.349 -35.970 -13.417 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.598 -36.155 -14.989 1.00 0.00 H new ATOM 51 N GLN A 5 0.139 -34.563 -13.930 1.00 0.00 N ATOM 52 CA GLN A 5 1.189 -33.542 -13.694 1.00 0.00 C ATOM 53 C GLN A 5 1.695 -32.985 -15.047 1.00 0.00 C ATOM 54 O GLN A 5 2.047 -33.749 -15.954 1.00 0.00 O ATOM 55 CB GLN A 5 2.372 -34.151 -12.867 1.00 0.00 C ATOM 56 CG GLN A 5 2.109 -34.334 -11.349 1.00 0.00 C ATOM 57 CD GLN A 5 0.973 -35.300 -11.004 1.00 0.00 C ATOM 58 OE1 GLN A 5 -0.180 -34.904 -10.885 1.00 0.00 O ATOM 59 NE2 GLN A 5 1.287 -36.571 -10.844 1.00 0.00 N ATOM 0 H GLN A 5 0.505 -35.512 -14.010 1.00 0.00 H new ATOM 0 HA GLN A 5 0.761 -32.722 -13.117 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.626 -35.122 -13.292 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.245 -33.510 -12.991 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.025 -34.689 -10.877 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.883 -33.360 -10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.255 -36.874 -10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.562 -37.251 -10.616 1.00 0.00 H new ATOM 68 N ASN A 6 1.718 -31.648 -15.170 1.00 0.00 N ATOM 69 CA ASN A 6 2.076 -30.953 -16.430 1.00 0.00 C ATOM 70 C ASN A 6 3.301 -30.026 -16.233 1.00 0.00 C ATOM 71 O ASN A 6 3.921 -30.015 -15.167 1.00 0.00 O ATOM 72 CB ASN A 6 0.837 -30.186 -16.967 1.00 0.00 C ATOM 73 CG ASN A 6 0.298 -29.149 -15.982 1.00 0.00 C ATOM 74 OD1 ASN A 6 0.666 -27.984 -16.032 1.00 0.00 O ATOM 75 ND2 ASN A 6 -0.573 -29.566 -15.081 1.00 0.00 N ATOM 0 H ASN A 6 1.490 -31.014 -14.404 1.00 0.00 H new ATOM 0 HA ASN A 6 2.370 -31.691 -17.177 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.102 -29.688 -17.900 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.048 -30.901 -17.200 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.958 -28.910 -14.402 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.861 -30.544 -15.064 1.00 0.00 H new ATOM 82 N VAL A 7 3.626 -29.236 -17.272 1.00 0.00 N ATOM 83 CA VAL A 7 4.866 -28.442 -17.361 1.00 0.00 C ATOM 84 C VAL A 7 4.657 -26.989 -16.799 1.00 0.00 C ATOM 85 O VAL A 7 5.238 -26.005 -17.274 1.00 0.00 O ATOM 86 CB VAL A 7 5.330 -28.440 -18.877 1.00 0.00 C ATOM 87 CG1 VAL A 7 6.738 -27.848 -19.062 1.00 0.00 C ATOM 88 CG2 VAL A 7 5.263 -29.873 -19.479 1.00 0.00 C ATOM 0 H VAL A 7 3.024 -29.129 -18.088 1.00 0.00 H new ATOM 0 HA VAL A 7 5.647 -28.886 -16.744 1.00 0.00 H new ATOM 0 HB VAL A 7 4.635 -27.795 -19.415 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.006 -27.871 -20.118 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.749 -26.818 -18.707 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.458 -28.436 -18.492 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.586 -29.846 -20.520 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.917 -30.536 -18.913 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.239 -30.242 -19.427 1.00 0.00 H new ATOM 98 N LEU A 8 3.830 -26.873 -15.740 1.00 0.00 N ATOM 99 CA LEU A 8 3.549 -25.582 -15.064 1.00 0.00 C ATOM 100 C LEU A 8 4.671 -25.164 -14.072 1.00 0.00 C ATOM 101 O LEU A 8 4.720 -24.006 -13.635 1.00 0.00 O ATOM 102 CB LEU A 8 2.183 -25.640 -14.337 1.00 0.00 C ATOM 103 CG LEU A 8 2.097 -26.407 -12.971 1.00 0.00 C ATOM 104 CD1 LEU A 8 0.698 -26.233 -12.394 1.00 0.00 C ATOM 105 CD2 LEU A 8 2.461 -27.905 -13.073 1.00 0.00 C ATOM 0 H LEU A 8 3.338 -27.666 -15.328 1.00 0.00 H new ATOM 0 HA LEU A 8 3.515 -24.820 -15.842 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.855 -24.615 -14.163 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.463 -26.094 -15.018 1.00 0.00 H new ATOM 0 HG LEU A 8 2.844 -25.971 -12.307 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.628 -26.763 -11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.500 -25.173 -12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.036 -26.638 -13.091 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.378 -28.367 -12.089 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.779 -28.399 -13.765 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.483 -28.007 -13.437 1.00 0.00 H new ATOM 117 N GLY A 9 5.572 -26.115 -13.728 1.00 0.00 N ATOM 118 CA GLY A 9 6.573 -25.905 -12.656 1.00 0.00 C ATOM 119 C GLY A 9 8.027 -26.113 -13.098 1.00 0.00 C ATOM 120 O GLY A 9 8.682 -27.071 -12.676 1.00 0.00 O ATOM 0 H GLY A 9 5.626 -27.030 -14.175 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.465 -24.892 -12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.355 -26.586 -11.833 1.00 0.00 H new ATOM 124 N GLN A 10 8.537 -25.189 -13.929 1.00 0.00 N ATOM 125 CA GLN A 10 9.931 -25.220 -14.442 1.00 0.00 C ATOM 126 C GLN A 10 10.496 -23.780 -14.585 1.00 0.00 C ATOM 127 O GLN A 10 9.912 -22.820 -14.056 1.00 0.00 O ATOM 128 CB GLN A 10 9.982 -25.956 -15.818 1.00 0.00 C ATOM 129 CG GLN A 10 9.087 -25.326 -16.914 1.00 0.00 C ATOM 130 CD GLN A 10 9.466 -25.738 -18.344 1.00 0.00 C ATOM 131 OE1 GLN A 10 9.983 -26.826 -18.584 1.00 0.00 O ATOM 132 NE2 GLN A 10 9.192 -24.874 -19.307 1.00 0.00 N ATOM 0 H GLN A 10 7.998 -24.393 -14.270 1.00 0.00 H new ATOM 0 HA GLN A 10 10.548 -25.763 -13.726 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.013 -25.969 -16.171 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.682 -26.994 -15.673 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.051 -25.608 -16.728 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.141 -24.240 -16.833 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.762 -23.977 -19.080 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.410 -25.105 -20.276 1.00 0.00 H new ATOM 141 N ASP A 11 11.663 -23.669 -15.273 1.00 0.00 N ATOM 142 CA ASP A 11 12.281 -22.384 -15.699 1.00 0.00 C ATOM 143 C ASP A 11 12.840 -21.570 -14.486 1.00 0.00 C ATOM 144 O ASP A 11 12.833 -22.058 -13.346 1.00 0.00 O ATOM 145 CB ASP A 11 11.270 -21.567 -16.579 1.00 0.00 C ATOM 146 CG ASP A 11 11.944 -20.559 -17.528 1.00 0.00 C ATOM 147 OD1 ASP A 11 12.376 -20.966 -18.629 1.00 0.00 O ATOM 148 OD2 ASP A 11 12.053 -19.365 -17.179 1.00 0.00 O ATOM 0 H ASP A 11 12.210 -24.483 -15.552 1.00 0.00 H new ATOM 0 HA ASP A 11 13.150 -22.604 -16.319 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.672 -22.262 -17.168 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.583 -21.031 -15.924 1.00 0.00 H new ATOM 153 N LEU A 12 13.364 -20.351 -14.743 1.00 0.00 N ATOM 154 CA LEU A 12 13.941 -19.464 -13.700 1.00 0.00 C ATOM 155 C LEU A 12 12.878 -19.006 -12.665 1.00 0.00 C ATOM 156 O LEU A 12 11.840 -18.447 -13.024 1.00 0.00 O ATOM 157 CB LEU A 12 14.588 -18.217 -14.364 1.00 0.00 C ATOM 158 CG LEU A 12 15.730 -18.500 -15.389 1.00 0.00 C ATOM 159 CD1 LEU A 12 16.239 -17.192 -16.029 1.00 0.00 C ATOM 160 CD2 LEU A 12 16.885 -19.299 -14.735 1.00 0.00 C ATOM 0 H LEU A 12 13.400 -19.951 -15.680 1.00 0.00 H new ATOM 0 HA LEU A 12 14.697 -20.040 -13.167 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.805 -17.653 -14.870 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.985 -17.576 -13.577 1.00 0.00 H new ATOM 0 HG LEU A 12 15.317 -19.117 -16.187 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.034 -17.420 -16.739 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.418 -16.698 -16.549 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.625 -16.533 -15.251 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.666 -19.481 -15.474 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.298 -18.727 -13.904 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.505 -20.252 -14.366 1.00 0.00 H new ATOM 172 N GLU A 13 13.172 -19.239 -11.378 1.00 0.00 N ATOM 173 CA GLU A 13 12.323 -18.803 -10.232 1.00 0.00 C ATOM 174 C GLU A 13 12.830 -17.439 -9.681 1.00 0.00 C ATOM 175 O GLU A 13 13.385 -16.632 -10.435 1.00 0.00 O ATOM 176 CB GLU A 13 12.317 -19.920 -9.122 1.00 0.00 C ATOM 177 CG GLU A 13 13.644 -20.149 -8.333 1.00 0.00 C ATOM 178 CD GLU A 13 14.833 -20.587 -9.207 1.00 0.00 C ATOM 179 OE1 GLU A 13 14.888 -21.771 -9.598 1.00 0.00 O ATOM 180 OE2 GLU A 13 15.686 -19.734 -9.555 1.00 0.00 O ATOM 0 H GLU A 13 14.012 -19.740 -11.088 1.00 0.00 H new ATOM 0 HA GLU A 13 11.296 -18.659 -10.567 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.534 -19.678 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.037 -20.862 -9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.909 -19.227 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.472 -20.906 -7.568 1.00 0.00 H new ATOM 187 N VAL A 14 12.577 -17.149 -8.393 1.00 0.00 N ATOM 188 CA VAL A 14 13.224 -16.023 -7.683 1.00 0.00 C ATOM 189 C VAL A 14 14.580 -16.477 -7.055 1.00 0.00 C ATOM 190 O VAL A 14 14.648 -17.516 -6.399 1.00 0.00 O ATOM 191 CB VAL A 14 12.263 -15.432 -6.577 1.00 0.00 C ATOM 192 CG1 VAL A 14 11.788 -16.523 -5.582 1.00 0.00 C ATOM 193 CG2 VAL A 14 12.911 -14.243 -5.819 1.00 0.00 C ATOM 0 H VAL A 14 11.925 -17.681 -7.816 1.00 0.00 H new ATOM 0 HA VAL A 14 13.430 -15.235 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 14 11.386 -15.053 -7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.129 -16.075 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.248 -17.299 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.652 -16.962 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.216 -13.868 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.826 -14.578 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.147 -13.447 -6.525 1.00 0.00 H new ATOM 203 N CYS A 15 15.661 -15.721 -7.319 1.00 0.00 N ATOM 204 CA CYS A 15 16.977 -15.894 -6.625 1.00 0.00 C ATOM 205 C CYS A 15 17.424 -14.572 -5.945 1.00 0.00 C ATOM 206 O CYS A 15 18.553 -14.455 -5.455 1.00 0.00 O ATOM 207 CB CYS A 15 18.046 -16.397 -7.632 1.00 0.00 C ATOM 208 SG CYS A 15 19.676 -16.723 -6.920 1.00 0.00 S ATOM 0 H CYS A 15 15.661 -14.974 -8.013 1.00 0.00 H new ATOM 0 HA CYS A 15 16.863 -16.642 -5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 15 17.681 -17.312 -8.099 1.00 0.00 H new ATOM 0 HB3 CYS A 15 18.154 -15.656 -8.424 1.00 0.00 H new ATOM 0 HG CYS A 15 19.963 -15.799 -6.052 1.00 0.00 H new ATOM 214 N CYS A 16 16.506 -13.583 -5.897 1.00 0.00 N ATOM 215 CA CYS A 16 16.765 -12.266 -5.264 1.00 0.00 C ATOM 216 C CYS A 16 16.872 -12.391 -3.733 1.00 0.00 C ATOM 217 O CYS A 16 16.088 -13.122 -3.114 1.00 0.00 O ATOM 218 CB CYS A 16 15.649 -11.263 -5.620 1.00 0.00 C ATOM 219 SG CYS A 16 15.832 -9.633 -4.854 1.00 0.00 S ATOM 0 H CYS A 16 15.570 -13.671 -6.292 1.00 0.00 H new ATOM 0 HA CYS A 16 17.716 -11.901 -5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.620 -11.140 -6.703 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.690 -11.685 -5.321 1.00 0.00 H new ATOM 0 HG CYS A 16 14.685 -9.021 -4.856 1.00 0.00 H new ATOM 225 N CYS A 17 17.832 -11.640 -3.149 1.00 0.00 N ATOM 226 CA CYS A 17 18.167 -11.687 -1.706 1.00 0.00 C ATOM 227 C CYS A 17 18.677 -13.101 -1.304 1.00 0.00 C ATOM 228 O CYS A 17 18.144 -13.729 -0.373 1.00 0.00 O ATOM 229 CB CYS A 17 16.963 -11.215 -0.835 1.00 0.00 C ATOM 230 SG CYS A 17 16.380 -9.544 -1.219 1.00 0.00 S ATOM 0 H CYS A 17 18.403 -10.976 -3.672 1.00 0.00 H new ATOM 0 HA CYS A 17 18.982 -10.989 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 17 16.138 -11.915 -0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 17 17.251 -11.255 0.215 1.00 0.00 H new ATOM 0 HG CYS A 17 16.130 -9.453 -2.491 1.00 0.00 H new ATOM 236 N ALA A 18 19.711 -13.574 -2.056 1.00 0.00 N ATOM 237 CA ALA A 18 20.388 -14.887 -1.864 1.00 0.00 C ATOM 238 C ALA A 18 19.509 -16.101 -2.308 1.00 0.00 C ATOM 239 O ALA A 18 18.293 -15.973 -2.441 1.00 0.00 O ATOM 240 CB ALA A 18 20.897 -15.056 -0.406 1.00 0.00 C ATOM 0 H ALA A 18 20.105 -13.039 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 18 21.255 -14.882 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 18 21.386 -16.025 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 18 21.609 -14.264 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 18 20.054 -14.998 0.283 1.00 0.00 H new ATOM 246 N PRO A 19 20.138 -17.300 -2.585 1.00 0.00 N ATOM 247 CA PRO A 19 19.412 -18.609 -2.746 1.00 0.00 C ATOM 248 C PRO A 19 18.393 -18.981 -1.620 1.00 0.00 C ATOM 249 O PRO A 19 17.690 -19.998 -1.731 1.00 0.00 O ATOM 250 CB PRO A 19 20.577 -19.631 -2.769 1.00 0.00 C ATOM 251 CG PRO A 19 21.716 -18.884 -3.391 1.00 0.00 C ATOM 252 CD PRO A 19 21.600 -17.465 -2.874 1.00 0.00 C ATOM 0 HA PRO A 19 18.777 -18.579 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 19 20.827 -19.971 -1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 19 20.318 -20.516 -3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 19 22.673 -19.326 -3.114 1.00 0.00 H new ATOM 0 HG3 PRO A 19 21.656 -18.911 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 19 22.203 -17.317 -1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 19 21.944 -16.742 -3.613 1.00 0.00 H new ATOM 260 N MET A 20 18.346 -18.188 -0.527 1.00 0.00 N ATOM 261 CA MET A 20 17.355 -18.342 0.563 1.00 0.00 C ATOM 262 C MET A 20 15.952 -17.832 0.107 1.00 0.00 C ATOM 263 O MET A 20 15.420 -16.836 0.620 1.00 0.00 O ATOM 264 CB MET A 20 17.876 -17.575 1.815 1.00 0.00 C ATOM 265 CG MET A 20 17.198 -17.952 3.142 1.00 0.00 C ATOM 266 SD MET A 20 17.761 -16.939 4.535 1.00 0.00 S ATOM 267 CE MET A 20 19.546 -17.120 4.455 1.00 0.00 C ATOM 0 H MET A 20 18.998 -17.418 -0.375 1.00 0.00 H new ATOM 0 HA MET A 20 17.236 -19.395 0.819 1.00 0.00 H new ATOM 0 HB2 MET A 20 18.947 -17.752 1.910 1.00 0.00 H new ATOM 0 HB3 MET A 20 17.743 -16.506 1.648 1.00 0.00 H new ATOM 0 HG2 MET A 20 16.118 -17.846 3.035 1.00 0.00 H new ATOM 0 HG3 MET A 20 17.395 -19.002 3.360 1.00 0.00 H new ATOM 0 HE1 MET A 20 19.989 -16.778 5.390 1.00 0.00 H new ATOM 0 HE2 MET A 20 19.799 -18.168 4.296 1.00 0.00 H new ATOM 0 HE3 MET A 20 19.936 -16.524 3.630 1.00 0.00 H new ATOM 277 N THR A 21 15.372 -18.535 -0.884 1.00 0.00 N ATOM 278 CA THR A 21 14.114 -18.141 -1.559 1.00 0.00 C ATOM 279 C THR A 21 13.167 -19.344 -1.719 1.00 0.00 C ATOM 280 O THR A 21 13.609 -20.502 -1.742 1.00 0.00 O ATOM 281 CB THR A 21 14.393 -17.574 -2.992 1.00 0.00 C ATOM 282 OG1 THR A 21 15.146 -18.536 -3.753 1.00 0.00 O ATOM 283 CG2 THR A 21 15.145 -16.237 -2.967 1.00 0.00 C ATOM 0 H THR A 21 15.766 -19.404 -1.245 1.00 0.00 H new ATOM 0 HA THR A 21 13.655 -17.377 -0.932 1.00 0.00 H new ATOM 0 HB THR A 21 13.425 -17.390 -3.458 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.089 -18.316 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.310 -15.893 -3.988 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.555 -15.498 -2.426 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.106 -16.369 -2.469 1.00 0.00 H new ATOM 291 N GLY A 22 11.866 -19.050 -1.831 1.00 0.00 N ATOM 292 CA GLY A 22 10.858 -20.067 -2.148 1.00 0.00 C ATOM 293 C GLY A 22 10.580 -20.129 -3.647 1.00 0.00 C ATOM 294 O GLY A 22 11.406 -20.643 -4.413 1.00 0.00 O ATOM 0 H GLY A 22 11.486 -18.112 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.200 -21.041 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.934 -19.844 -1.614 1.00 0.00 H new ATOM 298 N TRP A 23 9.429 -19.583 -4.070 1.00 0.00 N ATOM 299 CA TRP A 23 9.041 -19.520 -5.492 1.00 0.00 C ATOM 300 C TRP A 23 8.092 -18.316 -5.718 1.00 0.00 C ATOM 301 O TRP A 23 6.954 -18.309 -5.239 1.00 0.00 O ATOM 302 CB TRP A 23 8.379 -20.856 -5.934 1.00 0.00 C ATOM 303 CG TRP A 23 8.048 -20.923 -7.414 1.00 0.00 C ATOM 304 CD1 TRP A 23 8.917 -21.181 -8.442 1.00 0.00 C ATOM 305 CD2 TRP A 23 6.759 -20.729 -8.024 1.00 0.00 C ATOM 306 NE1 TRP A 23 8.252 -21.156 -9.640 1.00 0.00 N ATOM 307 CE2 TRP A 23 6.927 -20.886 -9.413 1.00 0.00 C ATOM 308 CE3 TRP A 23 5.481 -20.443 -7.524 1.00 0.00 C ATOM 309 CZ2 TRP A 23 5.869 -20.758 -10.308 1.00 0.00 C ATOM 310 CZ3 TRP A 23 4.432 -20.318 -8.414 1.00 0.00 C ATOM 311 CH2 TRP A 23 4.630 -20.479 -9.792 1.00 0.00 C ATOM 0 H TRP A 23 8.741 -19.173 -3.439 1.00 0.00 H new ATOM 0 HA TRP A 23 9.931 -19.377 -6.105 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.047 -21.680 -5.684 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.464 -21.003 -5.361 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.973 -21.376 -8.325 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.675 -21.313 -10.555 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.320 -20.323 -6.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.019 -20.874 -11.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 3.443 -20.093 -8.042 1.00 0.00 H new ATOM 0 HH2 TRP A 23 3.788 -20.381 -10.462 1.00 0.00 H new ATOM 322 N TYR A 24 8.595 -17.285 -6.422 1.00 0.00 N ATOM 323 CA TYR A 24 7.837 -16.047 -6.735 1.00 0.00 C ATOM 324 C TYR A 24 7.987 -15.680 -8.225 1.00 0.00 C ATOM 325 O TYR A 24 9.046 -15.902 -8.828 1.00 0.00 O ATOM 326 CB TYR A 24 8.322 -14.858 -5.852 1.00 0.00 C ATOM 327 CG TYR A 24 7.894 -14.937 -4.374 1.00 0.00 C ATOM 328 CD1 TYR A 24 8.659 -15.613 -3.419 1.00 0.00 C ATOM 329 CD2 TYR A 24 6.711 -14.322 -3.935 1.00 0.00 C ATOM 330 CE1 TYR A 24 8.260 -15.680 -2.095 1.00 0.00 C ATOM 331 CE2 TYR A 24 6.312 -14.387 -2.614 1.00 0.00 C ATOM 332 CZ TYR A 24 7.090 -15.065 -1.696 1.00 0.00 C ATOM 333 OH TYR A 24 6.698 -15.124 -0.375 1.00 0.00 O ATOM 0 H TYR A 24 9.545 -17.282 -6.795 1.00 0.00 H new ATOM 0 HA TYR A 24 6.786 -16.238 -6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.410 -14.809 -5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.942 -13.929 -6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.579 -16.092 -3.720 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.099 -13.786 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.863 -16.213 -1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.395 -13.910 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 24 5.853 -14.640 -0.262 1.00 0.00 H new ATOM 343 N ARG A 25 6.915 -15.095 -8.792 1.00 0.00 N ATOM 344 CA ARG A 25 6.886 -14.630 -10.194 1.00 0.00 C ATOM 345 C ARG A 25 7.703 -13.321 -10.353 1.00 0.00 C ATOM 346 O ARG A 25 7.460 -12.338 -9.638 1.00 0.00 O ATOM 347 CB ARG A 25 5.409 -14.436 -10.657 1.00 0.00 C ATOM 348 CG ARG A 25 4.600 -13.389 -9.850 1.00 0.00 C ATOM 349 CD ARG A 25 3.132 -13.287 -10.288 1.00 0.00 C ATOM 350 NE ARG A 25 2.392 -14.543 -10.061 1.00 0.00 N ATOM 351 CZ ARG A 25 1.083 -14.656 -9.991 1.00 0.00 C ATOM 352 NH1 ARG A 25 0.306 -13.616 -10.034 1.00 0.00 N ATOM 353 NH2 ARG A 25 0.557 -15.822 -9.844 1.00 0.00 N ATOM 0 H ARG A 25 6.042 -14.931 -8.291 1.00 0.00 H new ATOM 0 HA ARG A 25 7.349 -15.385 -10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.409 -14.142 -11.707 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.896 -15.396 -10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.639 -13.647 -8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.073 -12.413 -9.958 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.647 -12.478 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.088 -13.028 -11.346 1.00 0.00 H new ATOM 0 HE ARG A 25 2.941 -15.395 -9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.708 -12.683 -10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.706 -13.733 -9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.154 -16.647 -9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.457 -15.921 -9.789 1.00 0.00 H new ATOM 367 N ASN A 26 8.738 -13.363 -11.228 1.00 0.00 N ATOM 368 CA ASN A 26 9.574 -12.184 -11.600 1.00 0.00 C ATOM 369 C ASN A 26 10.425 -11.614 -10.413 1.00 0.00 C ATOM 370 O ASN A 26 11.242 -10.726 -10.627 1.00 0.00 O ATOM 371 CB ASN A 26 8.680 -11.066 -12.231 1.00 0.00 C ATOM 372 CG ASN A 26 9.450 -9.864 -12.800 1.00 0.00 C ATOM 373 OD1 ASN A 26 9.039 -8.721 -12.650 1.00 0.00 O ATOM 374 ND2 ASN A 26 10.539 -10.115 -13.508 1.00 0.00 N ATOM 0 H ASN A 26 9.022 -14.221 -11.702 1.00 0.00 H new ATOM 0 HA ASN A 26 10.295 -12.537 -12.338 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.082 -11.507 -13.029 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.984 -10.707 -11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.053 -9.348 -13.941 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.864 -11.075 -13.620 1.00 0.00 H new ATOM 381 N GLY A 27 10.287 -12.189 -9.193 1.00 0.00 N ATOM 382 CA GLY A 27 10.870 -11.613 -7.953 1.00 0.00 C ATOM 383 C GLY A 27 12.385 -11.342 -7.996 1.00 0.00 C ATOM 384 O GLY A 27 12.902 -10.525 -7.223 1.00 0.00 O ATOM 0 H GLY A 27 9.774 -13.057 -9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.357 -10.677 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.663 -12.292 -7.126 1.00 0.00 H new ATOM 388 N PHE A 28 13.097 -12.050 -8.889 1.00 0.00 N ATOM 389 CA PHE A 28 14.532 -11.820 -9.153 1.00 0.00 C ATOM 390 C PHE A 28 14.762 -10.490 -9.930 1.00 0.00 C ATOM 391 O PHE A 28 15.571 -9.650 -9.512 1.00 0.00 O ATOM 392 CB PHE A 28 15.108 -13.030 -9.925 1.00 0.00 C ATOM 393 CG PHE A 28 16.580 -12.898 -10.299 1.00 0.00 C ATOM 394 CD1 PHE A 28 17.572 -12.991 -9.326 1.00 0.00 C ATOM 395 CD2 PHE A 28 16.970 -12.660 -11.620 1.00 0.00 C ATOM 396 CE1 PHE A 28 18.905 -12.859 -9.659 1.00 0.00 C ATOM 397 CE2 PHE A 28 18.303 -12.525 -11.951 1.00 0.00 C ATOM 398 CZ PHE A 28 19.269 -12.625 -10.970 1.00 0.00 C ATOM 0 H PHE A 28 12.695 -12.800 -9.451 1.00 0.00 H new ATOM 0 HA PHE A 28 15.056 -11.722 -8.202 1.00 0.00 H new ATOM 0 HB2 PHE A 28 14.979 -13.927 -9.319 1.00 0.00 H new ATOM 0 HB3 PHE A 28 14.526 -13.175 -10.835 1.00 0.00 H new ATOM 0 HD1 PHE A 28 17.295 -13.169 -8.297 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.219 -12.581 -12.392 1.00 0.00 H new ATOM 0 HE1 PHE A 28 19.663 -12.939 -8.894 1.00 0.00 H new ATOM 0 HE2 PHE A 28 18.590 -12.341 -12.976 1.00 0.00 H new ATOM 0 HZ PHE A 28 20.312 -12.520 -11.229 1.00 0.00 H new ATOM 408 N CYS A 29 14.046 -10.315 -11.055 1.00 0.00 N ATOM 409 CA CYS A 29 14.153 -9.110 -11.927 1.00 0.00 C ATOM 410 C CYS A 29 13.073 -8.053 -11.594 1.00 0.00 C ATOM 411 O CYS A 29 12.348 -8.180 -10.618 1.00 0.00 O ATOM 412 CB CYS A 29 14.034 -9.535 -13.416 1.00 0.00 C ATOM 413 SG CYS A 29 15.280 -10.731 -13.950 1.00 0.00 S ATOM 0 H CYS A 29 13.372 -11.002 -11.394 1.00 0.00 H new ATOM 0 HA CYS A 29 15.125 -8.652 -11.745 1.00 0.00 H new ATOM 0 HB2 CYS A 29 13.044 -9.960 -13.582 1.00 0.00 H new ATOM 0 HB3 CYS A 29 14.108 -8.646 -14.042 1.00 0.00 H new ATOM 0 HG CYS A 29 15.093 -11.022 -15.203 1.00 0.00 H new ATOM 419 N GLN A 30 13.012 -6.986 -12.411 1.00 0.00 N ATOM 420 CA GLN A 30 11.920 -5.979 -12.383 1.00 0.00 C ATOM 421 C GLN A 30 11.379 -5.760 -13.818 1.00 0.00 C ATOM 422 O GLN A 30 12.155 -5.504 -14.753 1.00 0.00 O ATOM 423 CB GLN A 30 12.420 -4.635 -11.756 1.00 0.00 C ATOM 424 CG GLN A 30 13.775 -4.114 -12.307 1.00 0.00 C ATOM 425 CD GLN A 30 14.188 -2.721 -11.803 1.00 0.00 C ATOM 426 OE1 GLN A 30 13.251 -1.802 -11.705 1.00 0.00 O flip ATOM 427 NE2 GLN A 30 15.366 -2.451 -11.586 1.00 0.00 N flip ATOM 0 H GLN A 30 13.722 -6.791 -13.117 1.00 0.00 H new ATOM 0 HA GLN A 30 11.109 -6.350 -11.757 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.661 -3.871 -11.921 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.511 -4.767 -10.678 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.556 -4.826 -12.042 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.722 -4.089 -13.395 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.079 -3.176 -11.667 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.632 -1.501 -11.325 1.00 0.00 H new ATOM 436 N THR A 31 10.049 -5.905 -14.005 1.00 0.00 N ATOM 437 CA THR A 31 9.398 -5.655 -15.311 1.00 0.00 C ATOM 438 C THR A 31 9.051 -4.157 -15.450 1.00 0.00 C ATOM 439 O THR A 31 8.035 -3.679 -14.931 1.00 0.00 O ATOM 440 CB THR A 31 8.109 -6.525 -15.521 1.00 0.00 C ATOM 441 OG1 THR A 31 8.419 -7.916 -15.351 1.00 0.00 O ATOM 442 CG2 THR A 31 7.504 -6.335 -16.924 1.00 0.00 C ATOM 0 H THR A 31 9.405 -6.194 -13.269 1.00 0.00 H new ATOM 0 HA THR A 31 10.110 -5.945 -16.084 1.00 0.00 H new ATOM 0 HB THR A 31 7.382 -6.196 -14.778 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.585 -8.101 -14.403 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.614 -6.956 -17.024 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.233 -5.289 -17.065 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.236 -6.625 -17.678 1.00 0.00 H new ATOM 450 N ASP A 32 9.926 -3.419 -16.150 1.00 0.00 N ATOM 451 CA ASP A 32 9.772 -1.963 -16.379 1.00 0.00 C ATOM 452 C ASP A 32 9.074 -1.660 -17.730 1.00 0.00 C ATOM 453 O ASP A 32 9.282 -0.590 -18.307 1.00 0.00 O ATOM 454 CB ASP A 32 11.178 -1.313 -16.325 1.00 0.00 C ATOM 455 CG ASP A 32 11.936 -1.671 -15.043 1.00 0.00 C ATOM 456 OD1 ASP A 32 11.474 -1.280 -13.948 1.00 0.00 O ATOM 457 OD2 ASP A 32 12.984 -2.345 -15.123 1.00 0.00 O ATOM 0 H ASP A 32 10.765 -3.811 -16.577 1.00 0.00 H new ATOM 0 HA ASP A 32 9.133 -1.544 -15.602 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.758 -1.636 -17.189 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.078 -0.230 -16.395 1.00 0.00 H new ATOM 462 N VAL A 33 8.198 -2.595 -18.178 1.00 0.00 N ATOM 463 CA VAL A 33 7.537 -2.564 -19.515 1.00 0.00 C ATOM 464 C VAL A 33 8.589 -2.674 -20.666 1.00 0.00 C ATOM 465 O VAL A 33 8.759 -3.741 -21.263 1.00 0.00 O ATOM 466 CB VAL A 33 6.595 -1.304 -19.710 1.00 0.00 C ATOM 467 CG1 VAL A 33 5.895 -1.309 -21.096 1.00 0.00 C ATOM 468 CG2 VAL A 33 5.555 -1.202 -18.564 1.00 0.00 C ATOM 0 H VAL A 33 7.925 -3.402 -17.617 1.00 0.00 H new ATOM 0 HA VAL A 33 6.888 -3.439 -19.561 1.00 0.00 H new ATOM 0 HB VAL A 33 7.231 -0.420 -19.673 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.260 -0.428 -21.186 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.648 -1.295 -21.884 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.285 -2.207 -21.192 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.922 -0.329 -18.723 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.938 -2.100 -18.552 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.073 -1.105 -17.610 1.00 0.00 H new ATOM 478 N GLN A 34 9.302 -1.559 -20.946 1.00 0.00 N ATOM 479 CA GLN A 34 10.389 -1.492 -21.966 1.00 0.00 C ATOM 480 C GLN A 34 11.459 -0.428 -21.580 1.00 0.00 C ATOM 481 O GLN A 34 12.482 -0.275 -22.261 1.00 0.00 O ATOM 482 CB GLN A 34 9.789 -1.164 -23.361 1.00 0.00 C ATOM 483 CG GLN A 34 8.946 0.130 -23.409 1.00 0.00 C ATOM 484 CD GLN A 34 8.479 0.497 -24.822 1.00 0.00 C ATOM 485 OE1 GLN A 34 9.155 0.211 -25.807 1.00 0.00 O ATOM 486 NE2 GLN A 34 7.322 1.123 -24.939 1.00 0.00 N ATOM 0 H GLN A 34 9.143 -0.671 -20.470 1.00 0.00 H new ATOM 0 HA GLN A 34 10.879 -2.465 -22.004 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.603 -1.079 -24.081 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.167 -2.000 -23.680 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.075 0.012 -22.765 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.533 0.953 -23.003 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.778 1.350 -24.106 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.972 1.380 -25.862 1.00 0.00 H new ATOM 495 N ASP A 35 11.205 0.283 -20.470 1.00 0.00 N ATOM 496 CA ASP A 35 12.013 1.434 -20.007 1.00 0.00 C ATOM 497 C ASP A 35 13.405 1.012 -19.472 1.00 0.00 C ATOM 498 O ASP A 35 14.365 1.775 -19.588 1.00 0.00 O ATOM 499 CB ASP A 35 11.215 2.194 -18.919 1.00 0.00 C ATOM 500 CG ASP A 35 9.869 2.741 -19.442 1.00 0.00 C ATOM 501 OD1 ASP A 35 8.961 1.936 -19.755 1.00 0.00 O ATOM 502 OD2 ASP A 35 9.713 3.975 -19.552 1.00 0.00 O ATOM 0 H ASP A 35 10.419 0.074 -19.854 1.00 0.00 H new ATOM 0 HA ASP A 35 12.202 2.084 -20.861 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.029 1.527 -18.077 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.817 3.021 -18.543 1.00 0.00 H new ATOM 507 N ARG A 36 13.483 -0.212 -18.893 1.00 0.00 N ATOM 508 CA ARG A 36 14.738 -0.828 -18.381 1.00 0.00 C ATOM 509 C ARG A 36 15.366 0.012 -17.229 1.00 0.00 C ATOM 510 O ARG A 36 16.063 1.008 -17.476 1.00 0.00 O ATOM 511 CB ARG A 36 15.773 -1.062 -19.526 1.00 0.00 C ATOM 512 CG ARG A 36 15.230 -1.829 -20.758 1.00 0.00 C ATOM 513 CD ARG A 36 16.292 -1.971 -21.867 1.00 0.00 C ATOM 514 NE ARG A 36 15.735 -2.567 -23.099 1.00 0.00 N ATOM 515 CZ ARG A 36 16.425 -3.222 -24.011 1.00 0.00 C ATOM 516 NH1 ARG A 36 17.691 -3.484 -23.853 1.00 0.00 N ATOM 517 NH2 ARG A 36 15.827 -3.635 -25.078 1.00 0.00 N ATOM 0 H ARG A 36 12.666 -0.809 -18.766 1.00 0.00 H new ATOM 0 HA ARG A 36 14.468 -1.801 -17.971 1.00 0.00 H new ATOM 0 HB2 ARG A 36 16.150 -0.094 -19.857 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.622 -1.612 -19.120 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.894 -2.819 -20.449 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.360 -1.307 -21.155 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.709 -0.990 -22.096 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.113 -2.590 -21.505 1.00 0.00 H new ATOM 0 HE ARG A 36 14.733 -2.463 -23.257 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.173 -3.180 -23.007 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.201 -3.993 -24.575 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.832 -3.453 -25.208 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.350 -4.143 -25.791 1.00 0.00 H new ATOM 531 N GLY A 37 15.118 -0.406 -15.979 1.00 0.00 N ATOM 532 CA GLY A 37 15.563 0.348 -14.795 1.00 0.00 C ATOM 533 C GLY A 37 14.636 1.520 -14.459 1.00 0.00 C ATOM 534 O GLY A 37 15.016 2.696 -14.585 1.00 0.00 O ATOM 0 H GLY A 37 14.611 -1.264 -15.760 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.616 -0.325 -13.939 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.571 0.725 -14.967 1.00 0.00 H new ATOM 538 N SER A 38 13.413 1.189 -14.023 1.00 0.00 N ATOM 539 CA SER A 38 12.351 2.174 -13.709 1.00 0.00 C ATOM 540 C SER A 38 11.668 1.802 -12.364 1.00 0.00 C ATOM 541 O SER A 38 12.192 0.978 -11.601 1.00 0.00 O ATOM 542 CB SER A 38 11.330 2.207 -14.879 1.00 0.00 C ATOM 543 OG SER A 38 10.321 3.186 -14.684 1.00 0.00 O ATOM 0 H SER A 38 13.123 0.222 -13.875 1.00 0.00 H new ATOM 0 HA SER A 38 12.780 3.170 -13.597 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.856 2.411 -15.812 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.867 1.226 -14.982 1.00 0.00 H new ATOM 0 HG SER A 38 9.702 3.173 -15.444 1.00 0.00 H new ATOM 549 N HIS A 39 10.512 2.432 -12.052 1.00 0.00 N ATOM 550 CA HIS A 39 9.739 2.129 -10.826 1.00 0.00 C ATOM 551 C HIS A 39 8.214 2.195 -11.103 1.00 0.00 C ATOM 552 O HIS A 39 7.704 3.196 -11.621 1.00 0.00 O ATOM 553 CB HIS A 39 10.153 3.085 -9.662 1.00 0.00 C ATOM 554 CG HIS A 39 9.924 4.551 -9.931 1.00 0.00 C ATOM 555 ND1 HIS A 39 10.589 5.250 -10.917 1.00 0.00 N ATOM 556 CD2 HIS A 39 9.095 5.449 -9.338 1.00 0.00 C ATOM 557 CE1 HIS A 39 10.175 6.502 -10.924 1.00 0.00 C ATOM 558 NE2 HIS A 39 9.273 6.647 -9.979 1.00 0.00 N ATOM 0 H HIS A 39 10.093 3.156 -12.635 1.00 0.00 H new ATOM 0 HA HIS A 39 9.971 1.110 -10.516 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.599 2.804 -8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.210 2.932 -9.444 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.422 5.255 -8.516 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.519 7.277 -11.593 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.783 7.514 -9.758 1.00 0.00 H new ATOM 567 N THR A 40 7.504 1.105 -10.772 1.00 0.00 N ATOM 568 CA THR A 40 6.023 1.013 -10.848 1.00 0.00 C ATOM 569 C THR A 40 5.494 0.238 -9.627 1.00 0.00 C ATOM 570 O THR A 40 6.058 -0.789 -9.234 1.00 0.00 O ATOM 571 CB THR A 40 5.514 0.346 -12.183 1.00 0.00 C ATOM 572 OG1 THR A 40 4.086 0.138 -12.142 1.00 0.00 O ATOM 573 CG2 THR A 40 6.218 -0.979 -12.508 1.00 0.00 C ATOM 0 H THR A 40 7.942 0.246 -10.438 1.00 0.00 H new ATOM 0 HA THR A 40 5.634 2.031 -10.845 1.00 0.00 H new ATOM 0 HB THR A 40 5.763 1.047 -12.979 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.791 -0.275 -12.980 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.820 -1.384 -13.439 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.289 -0.805 -12.616 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.046 -1.690 -11.700 1.00 0.00 H new ATOM 581 N VAL A 41 4.423 0.753 -9.002 1.00 0.00 N ATOM 582 CA VAL A 41 3.852 0.176 -7.765 1.00 0.00 C ATOM 583 C VAL A 41 2.380 -0.226 -7.991 1.00 0.00 C ATOM 584 O VAL A 41 1.509 0.632 -8.192 1.00 0.00 O ATOM 585 CB VAL A 41 3.957 1.185 -6.562 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.472 0.545 -5.228 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.395 1.744 -6.424 1.00 0.00 C ATOM 0 H VAL A 41 3.926 1.579 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 41 4.431 -0.713 -7.513 1.00 0.00 H new ATOM 0 HB VAL A 41 3.292 2.020 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.560 1.273 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.431 0.239 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.085 -0.326 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.437 2.438 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.090 0.922 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.672 2.266 -7.340 1.00 0.00 H new ATOM 597 N CYS A 42 2.117 -1.539 -7.990 1.00 0.00 N ATOM 598 CA CYS A 42 0.751 -2.085 -8.060 1.00 0.00 C ATOM 599 C CYS A 42 0.347 -2.629 -6.676 1.00 0.00 C ATOM 600 O CYS A 42 0.829 -3.679 -6.241 1.00 0.00 O ATOM 601 CB CYS A 42 0.692 -3.194 -9.130 1.00 0.00 C ATOM 602 SG CYS A 42 1.125 -2.635 -10.795 1.00 0.00 S ATOM 0 H CYS A 42 2.843 -2.254 -7.941 1.00 0.00 H new ATOM 0 HA CYS A 42 0.049 -1.300 -8.342 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.367 -3.999 -8.841 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.314 -3.613 -9.149 1.00 0.00 H new ATOM 0 HG CYS A 42 1.049 -3.635 -11.622 1.00 0.00 H new ATOM 608 N ALA A 43 -0.553 -1.911 -5.999 1.00 0.00 N ATOM 609 CA ALA A 43 -1.005 -2.235 -4.636 1.00 0.00 C ATOM 610 C ALA A 43 -2.500 -1.928 -4.513 1.00 0.00 C ATOM 611 O ALA A 43 -3.017 -1.044 -5.210 1.00 0.00 O ATOM 612 CB ALA A 43 -0.185 -1.458 -3.596 1.00 0.00 C ATOM 0 H ALA A 43 -0.996 -1.077 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.850 -3.297 -4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.534 -1.711 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.868 -1.723 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.306 -0.388 -3.763 1.00 0.00 H new ATOM 618 N GLU A 44 -3.199 -2.653 -3.639 1.00 0.00 N ATOM 619 CA GLU A 44 -4.663 -2.562 -3.530 1.00 0.00 C ATOM 620 C GLU A 44 -5.073 -2.283 -2.070 1.00 0.00 C ATOM 621 O GLU A 44 -4.822 -3.099 -1.185 1.00 0.00 O ATOM 622 CB GLU A 44 -5.287 -3.873 -4.073 1.00 0.00 C ATOM 623 CG GLU A 44 -6.762 -3.746 -4.429 1.00 0.00 C ATOM 624 CD GLU A 44 -7.337 -4.989 -5.141 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.406 -6.072 -4.517 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.719 -4.890 -6.328 1.00 0.00 O ATOM 0 H GLU A 44 -2.775 -3.316 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.037 -1.731 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.734 -4.189 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.169 -4.658 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.332 -3.564 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.898 -2.875 -5.070 1.00 0.00 H new ATOM 633 N MET A 45 -5.676 -1.105 -1.827 1.00 0.00 N ATOM 634 CA MET A 45 -6.018 -0.632 -0.460 1.00 0.00 C ATOM 635 C MET A 45 -7.511 -0.894 -0.119 1.00 0.00 C ATOM 636 O MET A 45 -8.365 -0.942 -1.011 1.00 0.00 O ATOM 637 CB MET A 45 -5.683 0.884 -0.332 1.00 0.00 C ATOM 638 CG MET A 45 -4.313 1.271 -0.922 1.00 0.00 C ATOM 639 SD MET A 45 -2.933 0.293 -0.283 1.00 0.00 S ATOM 640 CE MET A 45 -2.807 0.903 1.389 1.00 0.00 C ATOM 0 H MET A 45 -5.942 -0.452 -2.564 1.00 0.00 H new ATOM 0 HA MET A 45 -5.420 -1.196 0.256 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.460 1.462 -0.833 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.707 1.164 0.721 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.352 1.161 -2.006 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.125 2.324 -0.715 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.550 0.081 2.058 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.032 1.668 1.440 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.762 1.333 1.692 1.00 0.00 H new ATOM 650 N THR A 46 -7.809 -1.051 1.187 1.00 0.00 N ATOM 651 CA THR A 46 -9.198 -1.222 1.698 1.00 0.00 C ATOM 652 C THR A 46 -9.835 0.146 2.007 1.00 0.00 C ATOM 653 O THR A 46 -9.114 1.116 2.266 1.00 0.00 O ATOM 654 CB THR A 46 -9.247 -2.115 2.991 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.597 -2.222 3.477 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.347 -1.574 4.115 1.00 0.00 C ATOM 0 H THR A 46 -7.101 -1.064 1.921 1.00 0.00 H new ATOM 0 HA THR A 46 -9.762 -1.725 0.912 1.00 0.00 H new ATOM 0 HB THR A 46 -8.873 -3.098 2.705 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.612 -2.782 4.281 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.418 -2.228 4.984 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.314 -1.541 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.671 -0.570 4.389 1.00 0.00 H new ATOM 664 N GLU A 47 -11.186 0.199 2.021 1.00 0.00 N ATOM 665 CA GLU A 47 -11.967 1.449 2.248 1.00 0.00 C ATOM 666 C GLU A 47 -11.549 2.178 3.546 1.00 0.00 C ATOM 667 O GLU A 47 -11.594 3.407 3.620 1.00 0.00 O ATOM 668 CB GLU A 47 -13.486 1.132 2.294 1.00 0.00 C ATOM 669 CG GLU A 47 -14.398 2.379 2.405 1.00 0.00 C ATOM 670 CD GLU A 47 -15.904 2.071 2.542 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.268 0.999 3.072 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.733 2.898 2.111 1.00 0.00 O ATOM 0 H GLU A 47 -11.772 -0.623 1.875 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.752 2.115 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.756 0.578 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.682 0.477 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.082 2.967 3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.248 3.001 1.523 1.00 0.00 H new ATOM 679 N GLU A 48 -11.138 1.384 4.549 1.00 0.00 N ATOM 680 CA GLU A 48 -10.597 1.882 5.836 1.00 0.00 C ATOM 681 C GLU A 48 -9.456 2.914 5.612 1.00 0.00 C ATOM 682 O GLU A 48 -9.431 3.973 6.241 1.00 0.00 O ATOM 683 CB GLU A 48 -10.065 0.691 6.671 1.00 0.00 C ATOM 684 CG GLU A 48 -11.064 -0.465 6.863 1.00 0.00 C ATOM 685 CD GLU A 48 -10.469 -1.630 7.675 1.00 0.00 C ATOM 686 OE1 GLU A 48 -9.716 -2.448 7.102 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.729 -1.719 8.893 1.00 0.00 O ATOM 0 H GLU A 48 -11.170 0.366 4.494 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.404 2.382 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.168 0.301 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.765 1.059 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.954 -0.091 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.382 -0.832 5.887 1.00 0.00 H new ATOM 694 N PHE A 49 -8.535 2.591 4.682 1.00 0.00 N ATOM 695 CA PHE A 49 -7.418 3.485 4.316 1.00 0.00 C ATOM 696 C PHE A 49 -7.870 4.685 3.450 1.00 0.00 C ATOM 697 O PHE A 49 -7.449 5.816 3.713 1.00 0.00 O ATOM 698 CB PHE A 49 -6.289 2.715 3.586 1.00 0.00 C ATOM 699 CG PHE A 49 -5.114 3.617 3.200 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.277 4.154 4.182 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.881 3.982 1.870 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.247 5.011 3.847 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.858 4.845 1.541 1.00 0.00 C ATOM 704 CZ PHE A 49 -3.040 5.356 2.528 1.00 0.00 C ATOM 0 H PHE A 49 -8.544 1.711 4.167 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.034 3.878 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.929 1.911 4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.694 2.249 2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.438 3.895 5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.512 3.582 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.604 5.411 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.696 5.122 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.236 6.028 2.267 1.00 0.00 H new ATOM 714 N LEU A 50 -8.678 4.444 2.392 1.00 0.00 N ATOM 715 CA LEU A 50 -9.054 5.537 1.455 1.00 0.00 C ATOM 716 C LEU A 50 -9.917 6.617 2.157 1.00 0.00 C ATOM 717 O LEU A 50 -9.805 7.795 1.833 1.00 0.00 O ATOM 718 CB LEU A 50 -9.757 5.008 0.170 1.00 0.00 C ATOM 719 CG LEU A 50 -8.907 4.112 -0.803 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.466 4.631 -0.986 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.918 2.639 -0.381 1.00 0.00 C ATOM 0 H LEU A 50 -9.074 3.532 2.166 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.121 6.003 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.633 4.436 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.119 5.868 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.392 4.181 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.926 3.973 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.492 5.639 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.960 4.647 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.319 2.056 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.500 2.545 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.943 2.267 -0.384 1.00 0.00 H new ATOM 733 N LEU A 51 -10.748 6.205 3.135 1.00 0.00 N ATOM 734 CA LEU A 51 -11.524 7.140 3.987 1.00 0.00 C ATOM 735 C LEU A 51 -10.642 7.809 5.075 1.00 0.00 C ATOM 736 O LEU A 51 -10.921 8.936 5.467 1.00 0.00 O ATOM 737 CB LEU A 51 -12.746 6.430 4.633 1.00 0.00 C ATOM 738 CG LEU A 51 -13.871 5.955 3.657 1.00 0.00 C ATOM 739 CD1 LEU A 51 -15.080 5.386 4.435 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.303 7.087 2.694 1.00 0.00 C ATOM 0 H LEU A 51 -10.903 5.222 3.359 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.891 7.931 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.384 5.563 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.190 7.109 5.361 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.459 5.150 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.847 5.064 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.758 4.535 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.488 6.158 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.086 6.721 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.681 7.931 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.446 7.408 2.102 1.00 0.00 H new ATOM 752 N PHE A 52 -9.606 7.094 5.575 1.00 0.00 N ATOM 753 CA PHE A 52 -8.575 7.680 6.488 1.00 0.00 C ATOM 754 C PHE A 52 -7.876 8.893 5.818 1.00 0.00 C ATOM 755 O PHE A 52 -7.758 9.974 6.411 1.00 0.00 O ATOM 756 CB PHE A 52 -7.534 6.580 6.878 1.00 0.00 C ATOM 757 CG PHE A 52 -6.252 7.080 7.564 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.242 7.413 8.918 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.054 7.221 6.844 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.087 7.869 9.531 1.00 0.00 C ATOM 761 CE2 PHE A 52 -3.901 7.674 7.458 1.00 0.00 C ATOM 762 CZ PHE A 52 -3.918 8.000 8.802 1.00 0.00 C ATOM 0 H PHE A 52 -9.455 6.107 5.365 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.063 8.038 7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.022 5.865 7.540 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.252 6.038 5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.148 7.314 9.497 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.033 6.971 5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.099 8.123 10.581 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.988 7.773 6.889 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.019 8.357 9.283 1.00 0.00 H new ATOM 772 N SER A 53 -7.443 8.681 4.568 1.00 0.00 N ATOM 773 CA SER A 53 -6.744 9.700 3.759 1.00 0.00 C ATOM 774 C SER A 53 -7.697 10.848 3.340 1.00 0.00 C ATOM 775 O SER A 53 -7.345 12.024 3.429 1.00 0.00 O ATOM 776 CB SER A 53 -6.126 9.025 2.506 1.00 0.00 C ATOM 777 OG SER A 53 -5.396 9.945 1.708 1.00 0.00 O ATOM 0 H SER A 53 -7.567 7.793 4.082 1.00 0.00 H new ATOM 0 HA SER A 53 -5.953 10.140 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.467 8.215 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.919 8.577 1.908 1.00 0.00 H new ATOM 0 HG SER A 53 -6.020 10.526 1.225 1.00 0.00 H new ATOM 783 N ARG A 54 -8.919 10.484 2.905 1.00 0.00 N ATOM 784 CA ARG A 54 -9.911 11.439 2.332 1.00 0.00 C ATOM 785 C ARG A 54 -10.583 12.341 3.404 1.00 0.00 C ATOM 786 O ARG A 54 -10.901 13.505 3.124 1.00 0.00 O ATOM 787 CB ARG A 54 -10.984 10.650 1.542 1.00 0.00 C ATOM 788 CG ARG A 54 -12.049 11.510 0.822 1.00 0.00 C ATOM 789 CD ARG A 54 -13.045 10.650 0.033 1.00 0.00 C ATOM 790 NE ARG A 54 -14.096 11.445 -0.620 1.00 0.00 N ATOM 791 CZ ARG A 54 -15.065 10.951 -1.364 1.00 0.00 C ATOM 792 NH1 ARG A 54 -15.143 9.678 -1.627 1.00 0.00 N ATOM 793 NH2 ARG A 54 -15.956 11.746 -1.857 1.00 0.00 N ATOM 0 H ARG A 54 -9.254 9.521 2.937 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.368 12.111 1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.481 10.030 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.492 9.974 2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.589 12.108 1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.555 12.206 0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.505 10.080 -0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.508 9.929 0.707 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.073 12.456 -0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.443 9.036 -1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.904 9.323 -2.206 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.906 12.747 -1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.710 11.372 -2.434 1.00 0.00 H new ATOM 807 N ASP A 55 -10.791 11.799 4.624 1.00 0.00 N ATOM 808 CA ASP A 55 -11.463 12.533 5.735 1.00 0.00 C ATOM 809 C ASP A 55 -10.641 13.770 6.177 1.00 0.00 C ATOM 810 O ASP A 55 -11.206 14.803 6.562 1.00 0.00 O ATOM 811 CB ASP A 55 -11.686 11.577 6.941 1.00 0.00 C ATOM 812 CG ASP A 55 -12.512 12.206 8.076 1.00 0.00 C ATOM 813 OD1 ASP A 55 -13.756 12.245 7.963 1.00 0.00 O ATOM 814 OD2 ASP A 55 -11.927 12.665 9.083 1.00 0.00 O ATOM 0 H ASP A 55 -10.504 10.852 4.871 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.427 12.888 5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.190 10.676 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.717 11.269 7.335 1.00 0.00 H new ATOM 819 N ARG A 56 -9.307 13.645 6.091 1.00 0.00 N ATOM 820 CA ARG A 56 -8.365 14.729 6.415 1.00 0.00 C ATOM 821 C ARG A 56 -7.015 14.469 5.700 1.00 0.00 C ATOM 822 O ARG A 56 -6.151 13.758 6.225 1.00 0.00 O ATOM 823 CB ARG A 56 -8.187 14.834 7.962 1.00 0.00 C ATOM 824 CG ARG A 56 -7.368 16.054 8.451 1.00 0.00 C ATOM 825 CD ARG A 56 -7.264 16.112 9.991 1.00 0.00 C ATOM 826 NE ARG A 56 -6.532 14.952 10.547 1.00 0.00 N ATOM 827 CZ ARG A 56 -6.982 14.112 11.458 1.00 0.00 C ATOM 828 NH1 ARG A 56 -8.197 14.186 11.909 1.00 0.00 N ATOM 829 NH2 ARG A 56 -6.202 13.186 11.905 1.00 0.00 N ATOM 0 H ARG A 56 -8.849 12.784 5.793 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.758 15.682 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.174 14.871 8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.702 13.925 8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.366 16.011 8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.832 16.970 8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.759 17.032 10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.265 16.147 10.420 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.590 14.787 10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.828 14.906 11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.521 13.524 12.614 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.248 13.109 11.553 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.540 12.531 12.610 1.00 0.00 H new ATOM 843 N GLY A 57 -6.873 14.999 4.464 1.00 0.00 N ATOM 844 CA GLY A 57 -5.622 14.867 3.686 1.00 0.00 C ATOM 845 C GLY A 57 -5.843 14.803 2.167 1.00 0.00 C ATOM 846 O GLY A 57 -6.074 15.835 1.522 1.00 0.00 O ATOM 0 H GLY A 57 -7.608 15.521 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.972 15.712 3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.099 13.966 4.006 1.00 0.00 H new ATOM 850 N ASN A 58 -5.779 13.581 1.594 1.00 0.00 N ATOM 851 CA ASN A 58 -5.842 13.349 0.125 1.00 0.00 C ATOM 852 C ASN A 58 -7.137 12.587 -0.256 1.00 0.00 C ATOM 853 O ASN A 58 -7.389 11.515 0.286 1.00 0.00 O ATOM 854 CB ASN A 58 -4.606 12.527 -0.336 1.00 0.00 C ATOM 855 CG ASN A 58 -3.279 13.158 0.079 1.00 0.00 C ATOM 856 OD1 ASN A 58 -2.697 13.951 -0.648 1.00 0.00 O ATOM 857 ND2 ASN A 58 -2.795 12.804 1.257 1.00 0.00 N ATOM 0 H ASN A 58 -5.682 12.722 2.135 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.844 14.318 -0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.670 11.522 0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.629 12.424 -1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.911 13.195 1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.305 12.140 1.839 1.00 0.00 H new ATOM 864 N ASP A 59 -7.935 13.137 -1.200 1.00 0.00 N ATOM 865 CA ASP A 59 -9.188 12.490 -1.678 1.00 0.00 C ATOM 866 C ASP A 59 -8.912 11.092 -2.300 1.00 0.00 C ATOM 867 O ASP A 59 -9.348 10.073 -1.745 1.00 0.00 O ATOM 868 CB ASP A 59 -9.912 13.407 -2.700 1.00 0.00 C ATOM 869 CG ASP A 59 -10.370 14.729 -2.070 1.00 0.00 C ATOM 870 OD1 ASP A 59 -9.580 15.697 -2.040 1.00 0.00 O ATOM 871 OD2 ASP A 59 -11.514 14.800 -1.579 1.00 0.00 O ATOM 0 H ASP A 59 -7.736 14.031 -1.650 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.836 12.342 -0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.243 13.617 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.776 12.882 -3.108 1.00 0.00 H new ATOM 876 N LEU A 60 -8.186 11.078 -3.452 1.00 0.00 N ATOM 877 CA LEU A 60 -7.721 9.852 -4.181 1.00 0.00 C ATOM 878 C LEU A 60 -8.849 9.074 -4.919 1.00 0.00 C ATOM 879 O LEU A 60 -8.708 8.745 -6.105 1.00 0.00 O ATOM 880 CB LEU A 60 -6.946 8.875 -3.242 1.00 0.00 C ATOM 881 CG LEU A 60 -5.699 9.462 -2.512 1.00 0.00 C ATOM 882 CD1 LEU A 60 -5.136 8.452 -1.493 1.00 0.00 C ATOM 883 CD2 LEU A 60 -4.620 9.920 -3.525 1.00 0.00 C ATOM 0 H LEU A 60 -7.898 11.939 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.048 10.238 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.640 8.502 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.625 8.016 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.014 10.346 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.267 8.883 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.900 8.219 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.842 7.539 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.763 10.324 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.301 9.069 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.035 10.689 -4.176 1.00 0.00 H new ATOM 895 N MET A 61 -9.959 8.821 -4.204 1.00 0.00 N ATOM 896 CA MET A 61 -10.968 7.798 -4.549 1.00 0.00 C ATOM 897 C MET A 61 -11.561 7.972 -5.967 1.00 0.00 C ATOM 898 O MET A 61 -11.328 7.137 -6.855 1.00 0.00 O ATOM 899 CB MET A 61 -12.082 7.796 -3.465 1.00 0.00 C ATOM 900 CG MET A 61 -11.556 7.557 -2.038 1.00 0.00 C ATOM 901 SD MET A 61 -12.866 7.459 -0.794 1.00 0.00 S ATOM 902 CE MET A 61 -13.638 5.883 -1.171 1.00 0.00 C ATOM 0 H MET A 61 -10.187 9.332 -3.351 1.00 0.00 H new ATOM 0 HA MET A 61 -10.466 6.831 -4.566 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.607 8.751 -3.494 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.812 7.024 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.980 6.632 -2.022 1.00 0.00 H new ATOM 0 HG3 MET A 61 -10.872 8.363 -1.771 1.00 0.00 H new ATOM 0 HE1 MET A 61 -14.363 5.638 -0.395 1.00 0.00 H new ATOM 0 HE2 MET A 61 -14.145 5.947 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.875 5.105 -1.214 1.00 0.00 H new ATOM 912 N THR A 62 -12.311 9.066 -6.182 1.00 0.00 N ATOM 913 CA THR A 62 -12.921 9.372 -7.498 1.00 0.00 C ATOM 914 C THR A 62 -12.986 10.904 -7.737 1.00 0.00 C ATOM 915 O THR A 62 -13.934 11.573 -7.305 1.00 0.00 O ATOM 916 CB THR A 62 -14.357 8.742 -7.656 1.00 0.00 C ATOM 917 OG1 THR A 62 -14.315 7.321 -7.396 1.00 0.00 O ATOM 918 CG2 THR A 62 -14.934 8.971 -9.071 1.00 0.00 C ATOM 0 H THR A 62 -12.513 9.759 -5.461 1.00 0.00 H new ATOM 0 HA THR A 62 -12.277 8.919 -8.252 1.00 0.00 H new ATOM 0 HB THR A 62 -15.003 9.238 -6.932 1.00 0.00 H new ATOM 0 HG1 THR A 62 -15.214 6.943 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 62 -15.925 8.521 -9.137 1.00 0.00 H new ATOM 0 HG22 THR A 62 -15.008 10.041 -9.265 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.277 8.513 -9.810 1.00 0.00 H new ATOM 926 N PRO A 63 -11.917 11.494 -8.353 1.00 0.00 N ATOM 927 CA PRO A 63 -11.974 12.844 -8.960 1.00 0.00 C ATOM 928 C PRO A 63 -12.503 12.789 -10.422 1.00 0.00 C ATOM 929 O PRO A 63 -12.908 11.717 -10.904 1.00 0.00 O ATOM 930 CB PRO A 63 -10.494 13.288 -8.894 1.00 0.00 C ATOM 931 CG PRO A 63 -9.714 12.018 -9.088 1.00 0.00 C ATOM 932 CD PRO A 63 -10.552 10.913 -8.453 1.00 0.00 C ATOM 0 HA PRO A 63 -12.654 13.529 -8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.263 14.018 -9.669 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.261 13.755 -7.937 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.545 11.821 -10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.734 12.085 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.548 10.011 -9.064 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.166 10.635 -7.472 1.00 0.00 H new ATOM 940 N ARG A 64 -12.495 13.942 -11.125 1.00 0.00 N ATOM 941 CA ARG A 64 -12.969 14.016 -12.525 1.00 0.00 C ATOM 942 C ARG A 64 -12.369 15.250 -13.257 1.00 0.00 C ATOM 943 O ARG A 64 -12.753 16.390 -12.965 1.00 0.00 O ATOM 944 CB ARG A 64 -14.520 14.068 -12.573 1.00 0.00 C ATOM 945 CG ARG A 64 -15.123 13.822 -13.975 1.00 0.00 C ATOM 946 CD ARG A 64 -16.661 13.893 -13.994 1.00 0.00 C ATOM 947 NE ARG A 64 -17.156 15.244 -13.677 1.00 0.00 N ATOM 948 CZ ARG A 64 -18.093 15.892 -14.333 1.00 0.00 C ATOM 949 NH1 ARG A 64 -18.727 15.356 -15.335 1.00 0.00 N ATOM 950 NH2 ARG A 64 -18.400 17.087 -13.967 1.00 0.00 N ATOM 0 H ARG A 64 -12.167 14.831 -10.748 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.630 13.117 -13.039 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.918 13.323 -11.884 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.850 15.043 -12.215 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.723 14.560 -14.670 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.806 12.842 -14.333 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.025 13.595 -14.977 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -17.066 13.181 -13.275 1.00 0.00 H new ATOM 0 HE ARG A 64 -16.735 15.718 -12.878 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -18.502 14.407 -15.632 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -19.449 15.885 -15.823 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -17.918 17.518 -13.178 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -19.125 17.603 -14.466 1.00 0.00 H new ATOM 964 N PRO A 65 -11.394 15.046 -14.202 1.00 0.00 N ATOM 965 CA PRO A 65 -10.833 16.148 -15.029 1.00 0.00 C ATOM 966 C PRO A 65 -11.769 16.568 -16.203 1.00 0.00 C ATOM 967 O PRO A 65 -11.875 17.756 -16.529 1.00 0.00 O ATOM 968 CB PRO A 65 -9.495 15.544 -15.535 1.00 0.00 C ATOM 969 CG PRO A 65 -9.755 14.067 -15.622 1.00 0.00 C ATOM 970 CD PRO A 65 -10.732 13.744 -14.499 1.00 0.00 C ATOM 0 HA PRO A 65 -10.708 17.073 -14.467 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.216 15.955 -16.505 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.677 15.763 -14.849 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.175 13.802 -16.592 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.830 13.501 -15.509 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.457 12.990 -14.807 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.216 13.351 -13.623 1.00 0.00 H new ATOM 978 N GLU A 66 -12.449 15.578 -16.824 1.00 0.00 N ATOM 979 CA GLU A 66 -13.317 15.789 -18.010 1.00 0.00 C ATOM 980 C GLU A 66 -14.702 15.136 -17.761 1.00 0.00 C ATOM 981 O GLU A 66 -15.673 15.822 -17.420 1.00 0.00 O ATOM 982 CB GLU A 66 -12.640 15.184 -19.279 1.00 0.00 C ATOM 983 CG GLU A 66 -11.226 15.713 -19.593 1.00 0.00 C ATOM 984 CD GLU A 66 -10.566 14.984 -20.777 1.00 0.00 C ATOM 985 OE1 GLU A 66 -9.938 13.922 -20.561 1.00 0.00 O ATOM 986 OE2 GLU A 66 -10.683 15.457 -21.928 1.00 0.00 O ATOM 0 H GLU A 66 -12.413 14.606 -16.517 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.458 16.857 -18.174 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.586 14.102 -19.160 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.281 15.378 -20.139 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.283 16.779 -19.814 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.598 15.604 -18.709 1.00 0.00 H new ATOM 993 N PHE A 67 -14.765 13.788 -17.897 1.00 0.00 N ATOM 994 CA PHE A 67 -15.979 12.993 -17.606 1.00 0.00 C ATOM 995 C PHE A 67 -15.590 11.528 -17.290 1.00 0.00 C ATOM 996 O PHE A 67 -15.682 11.086 -16.138 1.00 0.00 O ATOM 997 CB PHE A 67 -16.995 13.060 -18.784 1.00 0.00 C ATOM 998 CG PHE A 67 -18.309 12.317 -18.512 1.00 0.00 C ATOM 999 CD1 PHE A 67 -19.239 12.827 -17.603 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -18.604 11.101 -19.143 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -20.417 12.153 -17.338 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -19.781 10.428 -18.872 1.00 0.00 C ATOM 1003 CZ PHE A 67 -20.689 10.955 -17.970 1.00 0.00 C ATOM 0 H PHE A 67 -13.975 13.224 -18.211 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.468 13.421 -16.731 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -17.218 14.105 -19.000 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.530 12.642 -19.677 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -19.035 13.761 -17.100 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -17.903 10.684 -19.850 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -21.126 12.564 -16.635 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -19.992 9.490 -19.365 1.00 0.00 H new ATOM 0 HZ PHE A 67 -21.609 10.430 -17.760 1.00 0.00 H new ATOM 1013 N ASN A 68 -15.142 10.785 -18.320 1.00 0.00 N ATOM 1014 CA ASN A 68 -14.759 9.364 -18.184 1.00 0.00 C ATOM 1015 C ASN A 68 -13.280 9.230 -17.734 1.00 0.00 C ATOM 1016 O ASN A 68 -12.386 8.967 -18.550 1.00 0.00 O ATOM 1017 CB ASN A 68 -15.020 8.606 -19.520 1.00 0.00 C ATOM 1018 CG ASN A 68 -14.791 7.091 -19.430 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -14.968 6.483 -18.377 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -14.396 6.467 -20.527 1.00 0.00 N ATOM 0 H ASN A 68 -15.035 11.150 -19.267 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.377 8.908 -17.410 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -16.047 8.790 -19.836 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.370 9.017 -20.292 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.232 5.460 -20.510 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.255 6.992 -21.390 1.00 0.00 H new ATOM 1027 N PHE A 69 -13.041 9.468 -16.430 1.00 0.00 N ATOM 1028 CA PHE A 69 -11.722 9.271 -15.786 1.00 0.00 C ATOM 1029 C PHE A 69 -11.849 9.441 -14.244 1.00 0.00 C ATOM 1030 O PHE A 69 -12.041 10.566 -13.761 1.00 0.00 O ATOM 1031 CB PHE A 69 -10.647 10.258 -16.348 1.00 0.00 C ATOM 1032 CG PHE A 69 -9.208 9.899 -15.957 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -8.536 8.862 -16.607 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -8.532 10.581 -14.939 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -7.242 8.519 -16.255 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -7.239 10.234 -14.586 1.00 0.00 C ATOM 1037 CZ PHE A 69 -6.592 9.206 -15.246 1.00 0.00 C ATOM 0 H PHE A 69 -13.759 9.804 -15.788 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.392 8.258 -16.014 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.723 10.281 -17.435 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.870 11.264 -15.991 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.034 8.319 -17.397 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.026 11.390 -14.421 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.739 7.713 -16.769 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.735 10.767 -13.794 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.581 8.940 -14.974 1.00 0.00 H new ATOM 1047 N PRO A 70 -11.793 8.323 -13.453 1.00 0.00 N ATOM 1048 CA PRO A 70 -11.715 8.381 -11.974 1.00 0.00 C ATOM 1049 C PRO A 70 -10.247 8.388 -11.456 1.00 0.00 C ATOM 1050 O PRO A 70 -9.316 8.719 -12.200 1.00 0.00 O ATOM 1051 CB PRO A 70 -12.457 7.084 -11.588 1.00 0.00 C ATOM 1052 CG PRO A 70 -12.038 6.097 -12.646 1.00 0.00 C ATOM 1053 CD PRO A 70 -11.834 6.908 -13.926 1.00 0.00 C ATOM 0 HA PRO A 70 -12.140 9.288 -11.544 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.175 6.744 -10.591 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.537 7.229 -11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.120 5.584 -12.359 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.800 5.331 -12.788 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.910 6.629 -14.432 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.647 6.747 -14.634 1.00 0.00 H new ATOM 1061 N GLY A 71 -10.056 8.029 -10.169 1.00 0.00 N ATOM 1062 CA GLY A 71 -8.712 7.909 -9.577 1.00 0.00 C ATOM 1063 C GLY A 71 -8.407 6.484 -9.119 1.00 0.00 C ATOM 1064 O GLY A 71 -8.122 5.606 -9.945 1.00 0.00 O ATOM 0 H GLY A 71 -10.816 7.818 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.966 8.221 -10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.629 8.587 -8.728 1.00 0.00 H new ATOM 1068 N LEU A 72 -8.487 6.257 -7.792 1.00 0.00 N ATOM 1069 CA LEU A 72 -8.162 4.961 -7.157 1.00 0.00 C ATOM 1070 C LEU A 72 -8.831 4.865 -5.758 1.00 0.00 C ATOM 1071 O LEU A 72 -8.552 5.672 -4.865 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.610 4.739 -7.060 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.756 5.759 -6.202 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -4.331 5.229 -5.970 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -5.695 7.170 -6.836 1.00 0.00 C ATOM 0 H LEU A 72 -8.781 6.971 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.561 4.166 -7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.442 3.742 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.210 4.742 -8.074 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.267 5.852 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.767 5.950 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.378 4.279 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.837 5.082 -6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.097 7.827 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.241 7.105 -7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.704 7.573 -6.925 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.724 3.877 -5.578 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.506 3.708 -4.324 1.00 0.00 C ATOM 1089 C LYS A 73 -10.418 2.244 -3.803 1.00 0.00 C ATOM 1090 O LYS A 73 -9.481 1.519 -4.152 1.00 0.00 O ATOM 1091 CB LYS A 73 -11.985 4.199 -4.512 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.880 3.414 -5.500 1.00 0.00 C ATOM 1093 CD LYS A 73 -12.535 3.635 -6.992 1.00 0.00 C ATOM 1094 CE LYS A 73 -13.444 2.814 -7.920 1.00 0.00 C ATOM 1095 NZ LYS A 73 -12.954 2.805 -9.320 1.00 0.00 N ATOM 0 H LYS A 73 -9.929 3.173 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.064 4.339 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.470 4.186 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.955 5.238 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.801 2.350 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.919 3.699 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.631 4.694 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.495 3.361 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.506 1.790 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.454 3.224 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.678 2.388 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.758 3.780 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.082 2.241 -9.379 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.364 1.845 -2.918 1.00 0.00 N ATOM 1110 CA ALA A 74 -11.355 0.523 -2.246 1.00 0.00 C ATOM 1111 C ALA A 74 -11.455 -0.664 -3.240 1.00 0.00 C ATOM 1112 O ALA A 74 -12.448 -0.811 -3.968 1.00 0.00 O ATOM 1113 CB ALA A 74 -12.474 0.463 -1.198 1.00 0.00 C ATOM 0 H ALA A 74 -12.155 2.431 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.390 0.418 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.462 -0.511 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.319 1.245 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.437 0.612 -1.686 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.400 -1.502 -3.237 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.297 -2.658 -4.128 1.00 0.00 C ATOM 1121 C GLY A 75 -9.860 -2.291 -5.552 1.00 0.00 C ATOM 1122 O GLY A 75 -10.323 -2.897 -6.527 1.00 0.00 O ATOM 0 H GLY A 75 -9.600 -1.391 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.585 -3.368 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.262 -3.162 -4.170 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.963 -1.288 -5.670 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.371 -0.869 -6.960 1.00 0.00 C ATOM 1128 C ASP A 76 -6.835 -1.058 -6.959 1.00 0.00 C ATOM 1129 O ASP A 76 -6.095 -0.239 -6.400 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.732 0.612 -7.269 1.00 0.00 C ATOM 1131 CG ASP A 76 -10.220 0.804 -7.594 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -11.062 0.631 -6.692 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.560 1.104 -8.757 1.00 0.00 O ATOM 0 H ASP A 76 -8.629 -0.746 -4.873 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.789 -1.503 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.469 1.232 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.133 0.960 -8.110 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.370 -2.172 -7.555 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.943 -2.352 -7.894 1.00 0.00 C ATOM 1140 C ARG A 77 -4.622 -1.518 -9.164 1.00 0.00 C ATOM 1141 O ARG A 77 -4.681 -2.016 -10.294 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.611 -3.873 -8.095 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.631 -4.650 -8.977 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.203 -6.097 -9.291 1.00 0.00 C ATOM 1145 NE ARG A 77 -4.074 -6.146 -10.241 1.00 0.00 N ATOM 1146 CZ ARG A 77 -3.649 -7.224 -10.875 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -4.186 -8.385 -10.669 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -2.667 -7.126 -11.714 1.00 0.00 N ATOM 0 H ARG A 77 -6.961 -2.962 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.317 -1.998 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.622 -3.959 -8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.558 -4.352 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.596 -4.668 -8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.772 -4.111 -9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.921 -6.600 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.050 -6.644 -9.706 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.580 -5.273 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.954 -8.481 -10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.840 -9.203 -11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.227 -6.221 -11.881 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.333 -7.954 -12.207 1.00 0.00 H new ATOM 1162 N TRP A 78 -4.268 -0.236 -8.951 1.00 0.00 N ATOM 1163 CA TRP A 78 -4.056 0.740 -10.049 1.00 0.00 C ATOM 1164 C TRP A 78 -3.549 2.088 -9.498 1.00 0.00 C ATOM 1165 O TRP A 78 -4.147 2.650 -8.577 1.00 0.00 O ATOM 1166 CB TRP A 78 -5.371 0.970 -10.866 1.00 0.00 C ATOM 1167 CG TRP A 78 -5.228 1.928 -12.039 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -5.794 3.174 -12.176 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -4.449 1.715 -13.232 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -5.417 3.735 -13.369 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -4.600 2.862 -14.037 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.650 0.664 -13.700 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -3.974 2.990 -15.278 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.027 0.792 -14.928 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -3.196 1.947 -15.708 1.00 0.00 C ATOM 0 H TRP A 78 -4.120 0.155 -8.021 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.301 0.320 -10.713 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.724 0.009 -11.240 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.139 1.352 -10.193 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -6.441 3.642 -11.449 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.700 4.655 -13.705 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.522 -0.232 -13.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -4.098 3.879 -15.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.401 -0.009 -15.293 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.703 2.015 -16.666 1.00 0.00 H new ATOM 1186 N CYS A 79 -2.418 2.569 -10.067 1.00 0.00 N ATOM 1187 CA CYS A 79 -1.851 3.928 -9.822 1.00 0.00 C ATOM 1188 C CYS A 79 -1.506 4.205 -8.327 1.00 0.00 C ATOM 1189 O CYS A 79 -1.279 5.359 -7.939 1.00 0.00 O ATOM 1190 CB CYS A 79 -2.820 5.014 -10.375 1.00 0.00 C ATOM 1191 SG CYS A 79 -2.171 6.708 -10.342 1.00 0.00 S ATOM 0 H CYS A 79 -1.861 2.019 -10.721 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.902 3.971 -10.356 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.078 4.760 -11.403 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.744 4.983 -9.797 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.392 6.854 -9.312 1.00 0.00 H new ATOM 1197 N LEU A 80 -1.428 3.137 -7.498 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.194 3.289 -6.048 1.00 0.00 C ATOM 1199 C LEU A 80 0.287 3.648 -5.801 1.00 0.00 C ATOM 1200 O LEU A 80 1.171 2.815 -5.994 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.635 2.001 -5.257 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.783 2.131 -3.687 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.431 2.126 -2.943 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.613 3.379 -3.306 1.00 0.00 C ATOM 0 H LEU A 80 -1.523 2.170 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.811 4.104 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.592 1.668 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.911 1.213 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.318 1.239 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.605 2.218 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.093 1.192 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.176 2.964 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.698 3.442 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.119 4.274 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.608 3.302 -3.744 1.00 0.00 H new ATOM 1216 N CYS A 81 0.531 4.912 -5.396 1.00 0.00 N ATOM 1217 CA CYS A 81 1.880 5.418 -5.078 1.00 0.00 C ATOM 1218 C CYS A 81 2.470 4.696 -3.844 1.00 0.00 C ATOM 1219 O CYS A 81 1.779 4.518 -2.832 1.00 0.00 O ATOM 1220 CB CYS A 81 1.828 6.945 -4.827 1.00 0.00 C ATOM 1221 SG CYS A 81 1.138 7.895 -6.205 1.00 0.00 S ATOM 0 H CYS A 81 -0.204 5.610 -5.281 1.00 0.00 H new ATOM 0 HA CYS A 81 2.529 5.216 -5.930 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.233 7.136 -3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 81 2.837 7.303 -4.621 1.00 0.00 H new ATOM 0 HG CYS A 81 1.133 9.159 -5.901 1.00 0.00 H new ATOM 1227 N ALA A 82 3.750 4.301 -3.945 1.00 0.00 N ATOM 1228 CA ALA A 82 4.479 3.562 -2.888 1.00 0.00 C ATOM 1229 C ALA A 82 4.386 4.231 -1.500 1.00 0.00 C ATOM 1230 O ALA A 82 4.049 3.578 -0.515 1.00 0.00 O ATOM 1231 CB ALA A 82 5.942 3.440 -3.283 1.00 0.00 C ATOM 0 H ALA A 82 4.319 4.486 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 82 4.008 2.583 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.484 2.897 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.020 2.901 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.372 4.435 -3.397 1.00 0.00 H new ATOM 1237 N SER A 83 4.667 5.546 -1.470 1.00 0.00 N ATOM 1238 CA SER A 83 4.637 6.373 -0.235 1.00 0.00 C ATOM 1239 C SER A 83 3.263 6.341 0.480 1.00 0.00 C ATOM 1240 O SER A 83 3.188 6.492 1.700 1.00 0.00 O ATOM 1241 CB SER A 83 5.009 7.834 -0.579 1.00 0.00 C ATOM 1242 OG SER A 83 6.298 7.914 -1.171 1.00 0.00 O ATOM 0 H SER A 83 4.924 6.075 -2.304 1.00 0.00 H new ATOM 0 HA SER A 83 5.366 5.945 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.267 8.249 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.984 8.440 0.326 1.00 0.00 H new ATOM 0 HG SER A 83 6.505 8.849 -1.379 1.00 0.00 H new ATOM 1248 N ARG A 84 2.183 6.155 -0.303 1.00 0.00 N ATOM 1249 CA ARG A 84 0.794 6.159 0.209 1.00 0.00 C ATOM 1250 C ARG A 84 0.521 4.893 1.076 1.00 0.00 C ATOM 1251 O ARG A 84 0.063 4.995 2.218 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.207 6.261 -0.982 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.609 6.812 -0.632 1.00 0.00 C ATOM 1254 CD ARG A 84 -1.635 8.349 -0.401 1.00 0.00 C ATOM 1255 NE ARG A 84 -0.872 8.791 0.783 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.385 9.109 1.953 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.657 9.030 2.191 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -0.605 9.514 2.885 1.00 0.00 N ATOM 0 H ARG A 84 2.246 5.998 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 84 0.654 7.029 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.233 6.898 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.325 5.270 -1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.299 6.563 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.973 6.312 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.235 8.846 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.670 8.673 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 84 0.141 8.856 0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.294 8.713 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.021 9.284 3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.398 9.586 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.987 9.764 3.797 1.00 0.00 H new ATOM 1272 N TRP A 85 0.836 3.710 0.513 1.00 0.00 N ATOM 1273 CA TRP A 85 0.806 2.408 1.248 1.00 0.00 C ATOM 1274 C TRP A 85 1.839 2.407 2.414 1.00 0.00 C ATOM 1275 O TRP A 85 1.547 1.933 3.519 1.00 0.00 O ATOM 1276 CB TRP A 85 1.041 1.221 0.237 1.00 0.00 C ATOM 1277 CG TRP A 85 1.803 0.018 0.777 1.00 0.00 C ATOM 1278 CD1 TRP A 85 3.051 -0.392 0.392 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.387 -0.901 1.814 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.437 -1.475 1.129 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.438 -1.809 2.001 1.00 0.00 C ATOM 1282 CE3 TRP A 85 0.238 -1.034 2.601 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 2.381 -2.836 2.942 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 0.182 -2.053 3.531 1.00 0.00 C ATOM 1285 CH2 TRP A 85 1.248 -2.944 3.698 1.00 0.00 C ATOM 0 H TRP A 85 1.119 3.619 -0.463 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.176 2.270 1.701 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.070 0.879 -0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.581 1.609 -0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.644 0.073 -0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.331 -1.959 1.043 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.591 -0.352 2.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.205 -3.523 3.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.702 -2.165 4.142 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.174 -3.729 4.436 1.00 0.00 H new ATOM 1296 N GLN A 86 3.030 2.962 2.135 1.00 0.00 N ATOM 1297 CA GLN A 86 4.177 2.996 3.072 1.00 0.00 C ATOM 1298 C GLN A 86 3.823 3.716 4.396 1.00 0.00 C ATOM 1299 O GLN A 86 4.180 3.243 5.481 1.00 0.00 O ATOM 1300 CB GLN A 86 5.395 3.673 2.378 1.00 0.00 C ATOM 1301 CG GLN A 86 6.710 3.804 3.197 1.00 0.00 C ATOM 1302 CD GLN A 86 7.355 2.476 3.637 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.640 1.662 4.390 1.00 0.00 O flip ATOM 1304 NE2 GLN A 86 8.536 2.243 3.399 1.00 0.00 N flip ATOM 0 H GLN A 86 3.231 3.408 1.240 1.00 0.00 H new ATOM 0 HA GLN A 86 4.435 1.970 3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.619 3.112 1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.092 4.673 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.434 4.359 2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.505 4.400 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.074 2.883 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.979 1.410 3.785 1.00 0.00 H new ATOM 1313 N GLU A 87 3.092 4.836 4.284 1.00 0.00 N ATOM 1314 CA GLU A 87 2.626 5.612 5.460 1.00 0.00 C ATOM 1315 C GLU A 87 1.675 4.782 6.353 1.00 0.00 C ATOM 1316 O GLU A 87 1.734 4.869 7.583 1.00 0.00 O ATOM 1317 CB GLU A 87 1.903 6.917 5.015 1.00 0.00 C ATOM 1318 CG GLU A 87 1.431 7.818 6.184 1.00 0.00 C ATOM 1319 CD GLU A 87 0.545 8.993 5.731 1.00 0.00 C ATOM 1320 OE1 GLU A 87 1.088 10.060 5.371 1.00 0.00 O ATOM 1321 OE2 GLU A 87 -0.701 8.849 5.721 1.00 0.00 O ATOM 0 H GLU A 87 2.806 5.232 3.389 1.00 0.00 H new ATOM 0 HA GLU A 87 3.513 5.869 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.576 7.492 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.039 6.650 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.878 7.211 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.304 8.211 6.706 1.00 0.00 H new ATOM 1328 N ALA A 88 0.825 3.958 5.713 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.200 3.155 6.406 1.00 0.00 C ATOM 1330 C ALA A 88 0.434 2.152 7.394 1.00 0.00 C ATOM 1331 O ALA A 88 -0.091 1.933 8.491 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.069 2.428 5.379 1.00 0.00 C ATOM 0 H ALA A 88 0.829 3.830 4.701 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.825 3.831 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.825 1.836 5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.558 3.158 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.444 1.771 4.774 1.00 0.00 H new ATOM 1338 N PHE A 89 1.568 1.554 6.983 1.00 0.00 N ATOM 1339 CA PHE A 89 2.361 0.652 7.842 1.00 0.00 C ATOM 1340 C PHE A 89 3.021 1.424 9.004 1.00 0.00 C ATOM 1341 O PHE A 89 2.883 1.045 10.171 1.00 0.00 O ATOM 1342 CB PHE A 89 3.442 -0.091 7.010 1.00 0.00 C ATOM 1343 CG PHE A 89 4.282 -1.085 7.829 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.842 -2.392 8.040 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.506 -0.711 8.400 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.592 -3.279 8.783 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.250 -1.606 9.146 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.792 -2.889 9.337 1.00 0.00 C ATOM 0 H PHE A 89 1.960 1.681 6.050 1.00 0.00 H new ATOM 0 HA PHE A 89 1.678 -0.084 8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.955 -0.627 6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.107 0.644 6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.902 -2.713 7.616 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.874 0.294 8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.236 -4.288 8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.190 -1.298 9.579 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.372 -3.589 9.920 1.00 0.00 H new ATOM 1358 N GLU A 90 3.733 2.513 8.663 1.00 0.00 N ATOM 1359 CA GLU A 90 4.523 3.312 9.635 1.00 0.00 C ATOM 1360 C GLU A 90 3.624 4.045 10.669 1.00 0.00 C ATOM 1361 O GLU A 90 4.099 4.461 11.736 1.00 0.00 O ATOM 1362 CB GLU A 90 5.421 4.320 8.868 1.00 0.00 C ATOM 1363 CG GLU A 90 6.394 3.669 7.865 1.00 0.00 C ATOM 1364 CD GLU A 90 7.238 4.697 7.093 1.00 0.00 C ATOM 1365 OE1 GLU A 90 6.673 5.425 6.247 1.00 0.00 O ATOM 1366 OE2 GLU A 90 8.461 4.797 7.331 1.00 0.00 O ATOM 0 H GLU A 90 3.781 2.869 7.708 1.00 0.00 H new ATOM 0 HA GLU A 90 5.150 2.625 10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.783 5.023 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.996 4.899 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.058 2.990 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.827 3.067 7.156 1.00 0.00 H new ATOM 1373 N ALA A 91 2.327 4.203 10.339 1.00 0.00 N ATOM 1374 CA ALA A 91 1.312 4.731 11.277 1.00 0.00 C ATOM 1375 C ALA A 91 0.662 3.594 12.113 1.00 0.00 C ATOM 1376 O ALA A 91 0.205 3.829 13.237 1.00 0.00 O ATOM 1377 CB ALA A 91 0.250 5.522 10.505 1.00 0.00 C ATOM 0 H ALA A 91 1.953 3.970 9.419 1.00 0.00 H new ATOM 0 HA ALA A 91 1.809 5.401 11.978 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.494 5.908 11.202 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.724 6.353 9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.236 4.868 9.781 1.00 0.00 H new ATOM 1383 N GLY A 92 0.631 2.357 11.562 1.00 0.00 N ATOM 1384 CA GLY A 92 0.201 1.165 12.331 1.00 0.00 C ATOM 1385 C GLY A 92 -0.870 0.292 11.662 1.00 0.00 C ATOM 1386 O GLY A 92 -1.003 -0.888 12.015 1.00 0.00 O ATOM 0 H GLY A 92 0.896 2.160 10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.077 0.547 12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.178 1.496 13.298 1.00 0.00 H new ATOM 1390 N MET A 93 -1.645 0.852 10.711 1.00 0.00 N ATOM 1391 CA MET A 93 -2.786 0.128 10.082 1.00 0.00 C ATOM 1392 C MET A 93 -2.291 -0.982 9.116 1.00 0.00 C ATOM 1393 O MET A 93 -2.450 -2.176 9.400 1.00 0.00 O ATOM 1394 CB MET A 93 -3.735 1.113 9.332 1.00 0.00 C ATOM 1395 CG MET A 93 -4.289 2.266 10.190 1.00 0.00 C ATOM 1396 SD MET A 93 -3.066 3.561 10.503 1.00 0.00 S ATOM 1397 CE MET A 93 -2.867 4.264 8.861 1.00 0.00 C ATOM 0 H MET A 93 -1.508 1.799 10.358 1.00 0.00 H new ATOM 0 HA MET A 93 -3.348 -0.347 10.886 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.197 1.537 8.484 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.574 0.547 8.926 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.153 2.703 9.689 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.640 1.868 11.142 1.00 0.00 H new ATOM 0 HE1 MET A 93 -2.238 5.152 8.919 1.00 0.00 H new ATOM 0 HE2 MET A 93 -2.398 3.530 8.205 1.00 0.00 H new ATOM 0 HE3 MET A 93 -3.844 4.536 8.461 1.00 0.00 H new ATOM 1407 N ALA A 94 -1.671 -0.554 7.997 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.169 -1.442 6.918 1.00 0.00 C ATOM 1409 C ALA A 94 -2.269 -2.394 6.344 1.00 0.00 C ATOM 1410 O ALA A 94 -2.391 -3.545 6.771 1.00 0.00 O ATOM 1411 CB ALA A 94 0.087 -2.208 7.371 1.00 0.00 C ATOM 0 H ALA A 94 -1.500 0.434 7.811 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.883 -0.797 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.433 -2.851 6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.872 -1.498 7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.153 -2.819 8.241 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.132 -1.877 5.413 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.151 -2.686 4.659 1.00 0.00 C ATOM 1419 C PRO A 95 -3.601 -3.944 3.906 1.00 0.00 C ATOM 1420 O PRO A 95 -2.386 -4.067 3.695 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.698 -1.649 3.643 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.574 -0.352 4.365 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.246 -0.434 5.073 1.00 0.00 C ATOM 0 HA PRO A 95 -4.880 -3.121 5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.120 -1.650 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.733 -1.860 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.603 0.490 3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.392 -0.213 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.427 -0.105 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.225 0.193 5.965 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.509 -4.901 3.487 1.00 0.00 N ATOM 1432 CA PRO A 96 -4.121 -6.079 2.660 1.00 0.00 C ATOM 1433 C PRO A 96 -3.586 -5.676 1.257 1.00 0.00 C ATOM 1434 O PRO A 96 -4.368 -5.316 0.370 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.445 -6.905 2.546 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.328 -6.387 3.643 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.967 -4.929 3.800 1.00 0.00 C ATOM 0 HA PRO A 96 -3.302 -6.639 3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.910 -6.770 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.255 -7.972 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.381 -6.505 3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.162 -6.934 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.537 -4.298 3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.169 -4.571 4.810 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.256 -5.734 1.076 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.592 -5.380 -0.202 1.00 0.00 C ATOM 1447 C VAL A 97 -1.379 -6.657 -1.060 1.00 0.00 C ATOM 1448 O VAL A 97 -1.030 -7.727 -0.548 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.232 -4.605 0.049 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.707 -5.357 1.024 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.501 -4.274 -1.279 1.00 0.00 C ATOM 0 H VAL A 97 -1.607 -6.026 1.806 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.241 -4.702 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.505 -3.663 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.624 -4.784 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.209 -5.481 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.950 -6.337 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.428 -3.743 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.729 -5.199 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.138 -3.647 -1.901 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.639 -6.528 -2.370 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.672 -7.669 -3.310 1.00 0.00 C ATOM 1463 C VAL A 98 -0.241 -8.137 -3.751 1.00 0.00 C ATOM 1464 O VAL A 98 0.308 -7.687 -4.754 1.00 0.00 O ATOM 1465 CB VAL A 98 -2.619 -7.333 -4.532 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.195 -6.043 -5.288 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -2.754 -8.537 -5.487 1.00 0.00 C ATOM 0 H VAL A 98 -1.833 -5.630 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.093 -8.528 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.604 -7.128 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.881 -5.864 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.222 -5.195 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.183 -6.164 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.411 -8.272 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.771 -8.806 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.175 -9.385 -4.946 1.00 0.00 H new ATOM 1477 N LEU A 99 0.336 -9.073 -2.965 1.00 0.00 N ATOM 1478 CA LEU A 99 1.715 -9.627 -3.171 1.00 0.00 C ATOM 1479 C LEU A 99 1.899 -10.342 -4.539 1.00 0.00 C ATOM 1480 O LEU A 99 2.982 -10.281 -5.130 1.00 0.00 O ATOM 1481 CB LEU A 99 2.098 -10.582 -1.977 1.00 0.00 C ATOM 1482 CG LEU A 99 2.848 -9.920 -0.764 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.338 -9.669 -1.096 1.00 0.00 C ATOM 1484 CD2 LEU A 99 2.152 -8.617 -0.321 1.00 0.00 C ATOM 0 H LEU A 99 -0.139 -9.477 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 99 2.396 -8.776 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.184 -11.044 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.723 -11.384 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 99 2.806 -10.620 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.830 -9.211 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.824 -10.617 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.412 -9.003 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.694 -8.183 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.142 -7.910 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.128 -8.836 -0.018 1.00 0.00 H new ATOM 1496 N GLN A 100 0.838 -11.011 -5.034 1.00 0.00 N ATOM 1497 CA GLN A 100 0.864 -11.726 -6.344 1.00 0.00 C ATOM 1498 C GLN A 100 0.890 -10.762 -7.559 1.00 0.00 C ATOM 1499 O GLN A 100 1.118 -11.196 -8.693 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.359 -12.679 -6.467 1.00 0.00 C ATOM 1501 CG GLN A 100 -1.739 -11.986 -6.393 1.00 0.00 C ATOM 1502 CD GLN A 100 -2.907 -12.929 -6.683 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -3.452 -13.563 -5.786 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -3.309 -13.022 -7.937 1.00 0.00 N ATOM 0 H GLN A 100 -0.057 -11.076 -4.549 1.00 0.00 H new ATOM 0 HA GLN A 100 1.790 -12.300 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.289 -13.215 -7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.301 -13.424 -5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.868 -11.554 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.762 -11.161 -7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.839 -12.484 -8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.090 -13.632 -8.178 1.00 0.00 H new ATOM 1513 N SER A 101 0.633 -9.464 -7.319 1.00 0.00 N ATOM 1514 CA SER A 101 0.539 -8.441 -8.391 1.00 0.00 C ATOM 1515 C SER A 101 1.431 -7.206 -8.114 1.00 0.00 C ATOM 1516 O SER A 101 1.549 -6.331 -8.976 1.00 0.00 O ATOM 1517 CB SER A 101 -0.936 -8.021 -8.566 1.00 0.00 C ATOM 1518 OG SER A 101 -1.757 -9.132 -8.918 1.00 0.00 O ATOM 0 H SER A 101 0.484 -9.089 -6.382 1.00 0.00 H new ATOM 0 HA SER A 101 0.910 -8.887 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.301 -7.576 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.008 -7.255 -9.338 1.00 0.00 H new ATOM 0 HG SER A 101 -2.662 -8.993 -8.570 1.00 0.00 H new ATOM 1524 N THR A 102 2.049 -7.129 -6.912 1.00 0.00 N ATOM 1525 CA THR A 102 3.003 -6.038 -6.570 1.00 0.00 C ATOM 1526 C THR A 102 4.330 -6.236 -7.328 1.00 0.00 C ATOM 1527 O THR A 102 4.972 -7.283 -7.192 1.00 0.00 O ATOM 1528 CB THR A 102 3.282 -5.944 -5.019 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.064 -5.657 -4.311 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.322 -4.856 -4.661 1.00 0.00 C ATOM 0 H THR A 102 1.907 -7.806 -6.162 1.00 0.00 H new ATOM 0 HA THR A 102 2.538 -5.100 -6.875 1.00 0.00 H new ATOM 0 HB THR A 102 3.686 -6.912 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.383 -6.320 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.473 -4.838 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.267 -5.079 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.960 -3.883 -4.993 1.00 0.00 H new ATOM 1538 N GLU A 103 4.708 -5.233 -8.145 1.00 0.00 N ATOM 1539 CA GLU A 103 5.969 -5.252 -8.919 1.00 0.00 C ATOM 1540 C GLU A 103 7.216 -5.240 -7.984 1.00 0.00 C ATOM 1541 O GLU A 103 7.172 -4.682 -6.883 1.00 0.00 O ATOM 1542 CB GLU A 103 6.018 -4.035 -9.894 1.00 0.00 C ATOM 1543 CG GLU A 103 7.259 -3.987 -10.812 1.00 0.00 C ATOM 1544 CD GLU A 103 7.434 -5.227 -11.697 1.00 0.00 C ATOM 1545 OE1 GLU A 103 6.644 -5.399 -12.644 1.00 0.00 O ATOM 1546 OE2 GLU A 103 8.370 -6.024 -11.447 1.00 0.00 O ATOM 0 H GLU A 103 4.152 -4.390 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 103 5.993 -6.177 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.124 -4.051 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.982 -3.117 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.191 -3.106 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.149 -3.866 -10.195 1.00 0.00 H new ATOM 1553 N LYS A 104 8.318 -5.857 -8.438 1.00 0.00 N ATOM 1554 CA LYS A 104 9.594 -5.889 -7.697 1.00 0.00 C ATOM 1555 C LYS A 104 10.231 -4.474 -7.631 1.00 0.00 C ATOM 1556 O LYS A 104 10.858 -4.118 -6.630 1.00 0.00 O ATOM 1557 CB LYS A 104 10.535 -6.943 -8.360 1.00 0.00 C ATOM 1558 CG LYS A 104 11.774 -7.389 -7.533 1.00 0.00 C ATOM 1559 CD LYS A 104 12.956 -6.386 -7.558 1.00 0.00 C ATOM 1560 CE LYS A 104 14.152 -6.872 -6.732 1.00 0.00 C ATOM 1561 NZ LYS A 104 14.721 -8.133 -7.280 1.00 0.00 N ATOM 0 H LYS A 104 8.352 -6.349 -9.331 1.00 0.00 H new ATOM 0 HA LYS A 104 9.421 -6.190 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.944 -7.829 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.887 -6.537 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.468 -7.545 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.121 -8.350 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.271 -6.226 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.620 -5.423 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.922 -6.101 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.841 -7.031 -5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.425 -8.514 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.959 -8.828 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.177 -7.940 -8.195 1.00 0.00 H new ATOM 1575 N SER A 105 10.051 -3.669 -8.695 1.00 0.00 N ATOM 1576 CA SER A 105 10.528 -2.256 -8.732 1.00 0.00 C ATOM 1577 C SER A 105 9.851 -1.385 -7.639 1.00 0.00 C ATOM 1578 O SER A 105 10.386 -0.341 -7.260 1.00 0.00 O ATOM 1579 CB SER A 105 10.332 -1.622 -10.130 1.00 0.00 C ATOM 1580 OG SER A 105 8.971 -1.434 -10.448 1.00 0.00 O ATOM 0 H SER A 105 9.578 -3.966 -9.548 1.00 0.00 H new ATOM 0 HA SER A 105 11.597 -2.284 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.847 -0.662 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.794 -2.260 -10.884 1.00 0.00 H new ATOM 0 HG SER A 105 8.816 -1.686 -11.382 1.00 0.00 H new ATOM 1586 N ALA A 106 8.651 -1.800 -7.172 1.00 0.00 N ATOM 1587 CA ALA A 106 7.959 -1.153 -6.024 1.00 0.00 C ATOM 1588 C ALA A 106 8.813 -1.186 -4.723 1.00 0.00 C ATOM 1589 O ALA A 106 8.821 -0.215 -3.957 1.00 0.00 O ATOM 1590 CB ALA A 106 6.595 -1.819 -5.777 1.00 0.00 C ATOM 0 H ALA A 106 8.136 -2.584 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 106 7.810 -0.106 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.101 -1.335 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.975 -1.719 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.741 -2.876 -5.554 1.00 0.00 H new ATOM 1596 N LEU A 107 9.567 -2.295 -4.520 1.00 0.00 N ATOM 1597 CA LEU A 107 10.468 -2.522 -3.333 1.00 0.00 C ATOM 1598 C LEU A 107 11.528 -1.391 -3.132 1.00 0.00 C ATOM 1599 O LEU A 107 12.148 -1.304 -2.067 1.00 0.00 O ATOM 1600 CB LEU A 107 11.201 -3.902 -3.451 1.00 0.00 C ATOM 1601 CG LEU A 107 10.401 -5.196 -3.070 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.058 -5.321 -3.819 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.278 -6.456 -3.292 1.00 0.00 C ATOM 0 H LEU A 107 9.575 -3.075 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 107 9.816 -2.514 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.543 -4.012 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.091 -3.862 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 107 10.152 -5.113 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.554 -6.237 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.429 -4.463 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.242 -5.352 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.710 -7.347 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.571 -6.515 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.170 -6.393 -2.669 1.00 0.00 H new ATOM 1615 N ARG A 108 11.704 -0.540 -4.152 1.00 0.00 N ATOM 1616 CA ARG A 108 12.663 0.599 -4.142 1.00 0.00 C ATOM 1617 C ARG A 108 12.335 1.634 -3.044 1.00 0.00 C ATOM 1618 O ARG A 108 13.227 2.244 -2.454 1.00 0.00 O ATOM 1619 CB ARG A 108 12.668 1.282 -5.547 1.00 0.00 C ATOM 1620 CG ARG A 108 13.480 0.545 -6.647 1.00 0.00 C ATOM 1621 CD ARG A 108 14.996 0.848 -6.576 1.00 0.00 C ATOM 1622 NE ARG A 108 15.606 0.443 -5.288 1.00 0.00 N ATOM 1623 CZ ARG A 108 16.404 1.184 -4.541 1.00 0.00 C ATOM 1624 NH1 ARG A 108 16.744 2.387 -4.892 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.841 0.707 -3.424 1.00 0.00 N ATOM 0 H ARG A 108 11.182 -0.615 -5.025 1.00 0.00 H new ATOM 0 HA ARG A 108 13.653 0.202 -3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.637 1.382 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.067 2.291 -5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.324 -0.529 -6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.102 0.835 -7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 108 15.503 0.331 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 108 15.155 1.916 -6.728 1.00 0.00 H new ATOM 0 HE ARG A 108 15.390 -0.494 -4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 108 16.393 2.782 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 108 17.362 2.937 -4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.569 -0.231 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.458 1.268 -2.837 1.00 0.00 H new ATOM 1639 N TYR A 109 11.037 1.806 -2.795 1.00 0.00 N ATOM 1640 CA TYR A 109 10.489 2.792 -1.837 1.00 0.00 C ATOM 1641 C TYR A 109 9.905 2.071 -0.604 1.00 0.00 C ATOM 1642 O TYR A 109 9.769 2.642 0.482 1.00 0.00 O ATOM 1643 CB TYR A 109 9.349 3.576 -2.545 1.00 0.00 C ATOM 1644 CG TYR A 109 9.807 4.490 -3.703 1.00 0.00 C ATOM 1645 CD1 TYR A 109 10.257 3.941 -4.911 1.00 0.00 C ATOM 1646 CD2 TYR A 109 9.797 5.886 -3.594 1.00 0.00 C ATOM 1647 CE1 TYR A 109 10.685 4.733 -5.955 1.00 0.00 C ATOM 1648 CE2 TYR A 109 10.222 6.689 -4.645 1.00 0.00 C ATOM 1649 CZ TYR A 109 10.663 6.106 -5.822 1.00 0.00 C ATOM 1650 OH TYR A 109 11.104 6.901 -6.862 1.00 0.00 O ATOM 0 H TYR A 109 10.314 1.256 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 109 11.282 3.465 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.623 2.861 -2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.833 4.186 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.269 2.867 -5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.454 6.345 -2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.035 4.281 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.209 7.764 -4.545 1.00 0.00 H new ATOM 0 HH TYR A 109 11.022 7.844 -6.610 1.00 0.00 H new ATOM 1660 N VAL A 110 9.586 0.799 -0.821 1.00 0.00 N ATOM 1661 CA VAL A 110 8.658 0.020 -0.003 1.00 0.00 C ATOM 1662 C VAL A 110 9.372 -1.074 0.837 1.00 0.00 C ATOM 1663 O VAL A 110 9.191 -1.132 2.056 1.00 0.00 O ATOM 1664 CB VAL A 110 7.609 -0.624 -0.987 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.760 -1.676 -0.318 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.700 0.447 -1.631 1.00 0.00 C ATOM 0 H VAL A 110 9.978 0.263 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 110 8.174 0.674 0.722 1.00 0.00 H new ATOM 0 HB VAL A 110 8.192 -1.110 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.054 -2.087 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.400 -2.474 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.212 -1.228 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.990 -0.035 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.157 0.980 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.311 1.152 -2.194 1.00 0.00 H new ATOM 1676 N SER A 111 10.198 -1.898 0.155 1.00 0.00 N ATOM 1677 CA SER A 111 10.801 -3.151 0.679 1.00 0.00 C ATOM 1678 C SER A 111 9.764 -4.293 0.846 1.00 0.00 C ATOM 1679 O SER A 111 8.629 -4.071 1.260 1.00 0.00 O ATOM 1680 CB SER A 111 11.591 -2.924 1.985 1.00 0.00 C ATOM 1681 OG SER A 111 12.587 -1.930 1.817 1.00 0.00 O ATOM 0 H SER A 111 10.475 -1.706 -0.808 1.00 0.00 H new ATOM 0 HA SER A 111 11.512 -3.473 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.907 -2.626 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.056 -3.859 2.299 1.00 0.00 H new ATOM 0 HG SER A 111 13.071 -1.806 2.660 1.00 0.00 H new ATOM 1687 N LEU A 112 10.187 -5.523 0.512 1.00 0.00 N ATOM 1688 CA LEU A 112 9.339 -6.748 0.573 1.00 0.00 C ATOM 1689 C LEU A 112 8.832 -7.074 2.000 1.00 0.00 C ATOM 1690 O LEU A 112 7.695 -7.514 2.162 1.00 0.00 O ATOM 1691 CB LEU A 112 10.131 -7.938 -0.058 1.00 0.00 C ATOM 1692 CG LEU A 112 9.659 -9.422 0.233 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.003 -10.372 -0.941 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.276 -9.976 1.554 1.00 0.00 C ATOM 0 H LEU A 112 11.136 -5.708 0.187 1.00 0.00 H new ATOM 0 HA LEU A 112 8.433 -6.566 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.126 -7.798 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.167 -7.853 0.270 1.00 0.00 H new ATOM 0 HG LEU A 112 8.575 -9.384 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.664 -11.380 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.506 -10.025 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.081 -10.380 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.928 -10.996 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.363 -9.971 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.968 -9.349 2.390 1.00 0.00 H new ATOM 1706 N ALA A 113 9.690 -6.892 3.018 1.00 0.00 N ATOM 1707 CA ALA A 113 9.336 -7.184 4.436 1.00 0.00 C ATOM 1708 C ALA A 113 8.124 -6.342 4.910 1.00 0.00 C ATOM 1709 O ALA A 113 7.319 -6.798 5.722 1.00 0.00 O ATOM 1710 CB ALA A 113 10.549 -6.938 5.341 1.00 0.00 C ATOM 0 H ALA A 113 10.640 -6.543 2.894 1.00 0.00 H new ATOM 0 HA ALA A 113 9.048 -8.233 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.281 -7.154 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.369 -7.588 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.861 -5.897 5.257 1.00 0.00 H new ATOM 1716 N ASP A 114 8.018 -5.122 4.364 1.00 0.00 N ATOM 1717 CA ASP A 114 6.884 -4.199 4.594 1.00 0.00 C ATOM 1718 C ASP A 114 5.546 -4.805 4.062 1.00 0.00 C ATOM 1719 O ASP A 114 4.490 -4.671 4.694 1.00 0.00 O ATOM 1720 CB ASP A 114 7.214 -2.859 3.890 1.00 0.00 C ATOM 1721 CG ASP A 114 6.301 -1.697 4.287 1.00 0.00 C ATOM 1722 OD1 ASP A 114 6.508 -1.141 5.385 1.00 0.00 O ATOM 1723 OD2 ASP A 114 5.401 -1.318 3.510 1.00 0.00 O ATOM 0 H ASP A 114 8.727 -4.737 3.739 1.00 0.00 H new ATOM 0 HA ASP A 114 6.746 -4.034 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 114 8.246 -2.588 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.150 -3.003 2.811 1.00 0.00 H new ATOM 1728 N LEU A 115 5.642 -5.520 2.919 1.00 0.00 N ATOM 1729 CA LEU A 115 4.498 -6.134 2.214 1.00 0.00 C ATOM 1730 C LEU A 115 4.007 -7.398 2.957 1.00 0.00 C ATOM 1731 O LEU A 115 2.819 -7.553 3.267 1.00 0.00 O ATOM 1732 CB LEU A 115 4.952 -6.528 0.782 1.00 0.00 C ATOM 1733 CG LEU A 115 5.512 -5.378 -0.104 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.091 -5.908 -1.428 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.439 -4.320 -0.371 1.00 0.00 C ATOM 0 H LEU A 115 6.534 -5.689 2.453 1.00 0.00 H new ATOM 0 HA LEU A 115 3.678 -5.417 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.718 -7.299 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.103 -6.976 0.265 1.00 0.00 H new ATOM 0 HG LEU A 115 6.327 -4.911 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.472 -5.074 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.903 -6.604 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.309 -6.421 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.856 -3.527 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.596 -4.779 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.100 -3.899 0.575 1.00 0.00 H new ATOM 1747 N GLN A 116 4.973 -8.287 3.237 1.00 0.00 N ATOM 1748 CA GLN A 116 4.739 -9.617 3.846 1.00 0.00 C ATOM 1749 C GLN A 116 4.325 -9.518 5.325 1.00 0.00 C ATOM 1750 O GLN A 116 3.731 -10.450 5.876 1.00 0.00 O ATOM 1751 CB GLN A 116 6.006 -10.490 3.692 1.00 0.00 C ATOM 1752 CG GLN A 116 6.501 -10.616 2.235 1.00 0.00 C ATOM 1753 CD GLN A 116 7.367 -11.862 1.989 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.106 -12.300 2.866 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.284 -12.443 0.803 1.00 0.00 N ATOM 0 H GLN A 116 5.958 -8.104 3.045 1.00 0.00 H new ATOM 0 HA GLN A 116 3.908 -10.084 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.804 -10.067 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.800 -11.486 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.640 -10.644 1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.076 -9.727 1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.663 -12.061 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.841 -13.273 0.602 1.00 0.00 H new ATOM 1764 N ALA A 117 4.690 -8.394 5.958 1.00 0.00 N ATOM 1765 CA ALA A 117 4.235 -8.019 7.323 1.00 0.00 C ATOM 1766 C ALA A 117 2.688 -8.111 7.516 1.00 0.00 C ATOM 1767 O ALA A 117 2.211 -8.331 8.634 1.00 0.00 O ATOM 1768 CB ALA A 117 4.713 -6.601 7.640 1.00 0.00 C ATOM 0 H ALA A 117 5.316 -7.706 5.540 1.00 0.00 H new ATOM 0 HA ALA A 117 4.672 -8.742 8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.382 -6.321 8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.801 -6.565 7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.296 -5.905 6.912 1.00 0.00 H new ATOM 1774 N HIS A 118 1.916 -7.916 6.423 1.00 0.00 N ATOM 1775 CA HIS A 118 0.429 -8.061 6.427 1.00 0.00 C ATOM 1776 C HIS A 118 -0.076 -8.991 5.285 1.00 0.00 C ATOM 1777 O HIS A 118 -1.250 -8.924 4.896 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.254 -6.652 6.361 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.773 -6.158 7.691 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -0.047 -5.362 8.549 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -1.961 -6.376 8.309 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.768 -5.102 9.622 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -1.931 -5.704 9.505 1.00 0.00 N ATOM 0 H HIS A 118 2.297 -7.655 5.514 1.00 0.00 H new ATOM 0 HA HIS A 118 0.146 -8.541 7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.463 -5.930 5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.081 -6.693 5.652 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.780 -6.969 7.929 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -0.455 -4.495 10.459 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.686 -5.676 10.190 1.00 0.00 H new ATOM 1792 N ALA A 119 0.803 -9.873 4.783 1.00 0.00 N ATOM 1793 CA ALA A 119 0.436 -10.910 3.785 1.00 0.00 C ATOM 1794 C ALA A 119 1.230 -12.215 4.039 1.00 0.00 C ATOM 1795 O ALA A 119 1.781 -12.409 5.130 1.00 0.00 O ATOM 1796 CB ALA A 119 0.676 -10.365 2.370 1.00 0.00 C ATOM 0 H ALA A 119 1.787 -9.894 5.052 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.622 -11.153 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.407 -11.125 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.064 -9.477 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.728 -10.105 2.254 1.00 0.00 H new ATOM 1802 N LEU A 120 1.258 -13.134 3.044 1.00 0.00 N ATOM 1803 CA LEU A 120 2.024 -14.400 3.153 1.00 0.00 C ATOM 1804 C LEU A 120 3.561 -14.152 3.061 1.00 0.00 C ATOM 1805 O LEU A 120 4.023 -13.400 2.191 1.00 0.00 O ATOM 1806 CB LEU A 120 1.551 -15.449 2.091 1.00 0.00 C ATOM 1807 CG LEU A 120 0.256 -16.251 2.452 1.00 0.00 C ATOM 1808 CD1 LEU A 120 0.447 -17.019 3.778 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -0.995 -15.346 2.497 1.00 0.00 C ATOM 0 H LEU A 120 0.761 -13.023 2.160 1.00 0.00 H new ATOM 0 HA LEU A 120 1.821 -14.817 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.383 -14.931 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.361 -16.160 1.925 1.00 0.00 H new ATOM 0 HG LEU A 120 0.085 -16.977 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.463 -17.571 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.279 -17.717 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.661 -16.313 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.869 -15.946 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.856 -14.570 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.144 -14.883 1.522 1.00 0.00 H new ATOM 1821 N PRO A 121 4.370 -14.784 3.975 1.00 0.00 N ATOM 1822 CA PRO A 121 5.827 -14.567 4.055 1.00 0.00 C ATOM 1823 C PRO A 121 6.655 -15.517 3.141 1.00 0.00 C ATOM 1824 O PRO A 121 6.150 -16.537 2.655 1.00 0.00 O ATOM 1825 CB PRO A 121 6.112 -14.791 5.561 1.00 0.00 C ATOM 1826 CG PRO A 121 4.978 -15.645 6.094 1.00 0.00 C ATOM 1827 CD PRO A 121 3.931 -15.767 4.996 1.00 0.00 C ATOM 0 HA PRO A 121 6.124 -13.582 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 121 7.072 -15.288 5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 121 6.163 -13.840 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 121 5.345 -16.630 6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 121 4.545 -15.192 6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.895 -16.777 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.933 -15.538 5.368 1.00 0.00 H new ATOM 1835 N VAL A 122 7.939 -15.169 2.923 1.00 0.00 N ATOM 1836 CA VAL A 122 8.823 -15.906 1.998 1.00 0.00 C ATOM 1837 C VAL A 122 9.393 -17.201 2.639 1.00 0.00 C ATOM 1838 O VAL A 122 10.206 -17.166 3.570 1.00 0.00 O ATOM 1839 CB VAL A 122 9.974 -14.973 1.425 1.00 0.00 C ATOM 1840 CG1 VAL A 122 10.767 -14.261 2.547 1.00 0.00 C ATOM 1841 CG2 VAL A 122 10.923 -15.748 0.469 1.00 0.00 C ATOM 0 H VAL A 122 8.390 -14.376 3.379 1.00 0.00 H new ATOM 0 HA VAL A 122 8.210 -16.221 1.154 1.00 0.00 H new ATOM 0 HB VAL A 122 9.480 -14.197 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.542 -13.635 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 122 10.090 -13.640 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 122 11.228 -15.006 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 122 11.696 -15.074 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.388 -16.573 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.351 -16.141 -0.372 1.00 0.00 H new ATOM 1851 N LEU A 123 8.912 -18.348 2.140 1.00 0.00 N ATOM 1852 CA LEU A 123 9.486 -19.678 2.431 1.00 0.00 C ATOM 1853 C LEU A 123 10.904 -19.764 1.792 1.00 0.00 C ATOM 1854 O LEU A 123 11.185 -19.058 0.827 1.00 0.00 O ATOM 1855 CB LEU A 123 8.490 -20.758 1.884 1.00 0.00 C ATOM 1856 CG LEU A 123 8.718 -22.267 2.283 1.00 0.00 C ATOM 1857 CD1 LEU A 123 7.385 -23.055 2.251 1.00 0.00 C ATOM 1858 CD2 LEU A 123 9.759 -22.969 1.373 1.00 0.00 C ATOM 0 H LEU A 123 8.106 -18.384 1.516 1.00 0.00 H new ATOM 0 HA LEU A 123 9.613 -19.852 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.488 -20.478 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.502 -20.698 0.796 1.00 0.00 H new ATOM 0 HG LEU A 123 9.112 -22.261 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 123 7.569 -24.093 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.682 -22.609 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.965 -23.018 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.879 -24.005 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.415 -22.943 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.716 -22.453 1.450 1.00 0.00 H new ATOM 1870 N GLU A 124 11.812 -20.584 2.349 1.00 0.00 N ATOM 1871 CA GLU A 124 13.183 -20.757 1.784 1.00 0.00 C ATOM 1872 C GLU A 124 13.472 -22.238 1.452 1.00 0.00 C ATOM 1873 O GLU A 124 13.038 -23.149 2.165 1.00 0.00 O ATOM 1874 CB GLU A 124 14.280 -20.184 2.737 1.00 0.00 C ATOM 1875 CG GLU A 124 14.512 -20.932 4.075 1.00 0.00 C ATOM 1876 CD GLU A 124 13.340 -20.822 5.068 1.00 0.00 C ATOM 1877 OE1 GLU A 124 13.303 -19.851 5.847 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.447 -21.702 5.068 1.00 0.00 O ATOM 0 H GLU A 124 11.633 -21.139 3.186 1.00 0.00 H new ATOM 0 HA GLU A 124 13.218 -20.186 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.224 -20.163 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.022 -19.150 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.697 -21.985 3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.412 -20.539 4.547 1.00 0.00 H new ATOM 1885 N HIS A 125 14.184 -22.470 0.335 1.00 0.00 N ATOM 1886 CA HIS A 125 14.631 -23.821 -0.085 1.00 0.00 C ATOM 1887 C HIS A 125 16.123 -24.049 0.254 1.00 0.00 C ATOM 1888 O HIS A 125 16.505 -25.139 0.692 1.00 0.00 O ATOM 1889 CB HIS A 125 14.375 -24.015 -1.603 1.00 0.00 C ATOM 1890 CG HIS A 125 12.913 -24.033 -1.984 1.00 0.00 C ATOM 1891 ND1 HIS A 125 12.398 -23.365 -3.079 1.00 0.00 N ATOM 1892 CD2 HIS A 125 11.864 -24.686 -1.429 1.00 0.00 C ATOM 1893 CE1 HIS A 125 11.105 -23.608 -3.176 1.00 0.00 C ATOM 1894 NE2 HIS A 125 10.760 -24.402 -2.189 1.00 0.00 N ATOM 0 H HIS A 125 14.469 -21.729 -0.306 1.00 0.00 H new ATOM 0 HA HIS A 125 14.053 -24.562 0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 125 14.872 -23.214 -2.150 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.834 -24.951 -1.921 1.00 0.00 H new ATOM 0 HD2 HIS A 125 11.893 -25.314 -0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.444 -23.220 -3.937 1.00 0.00 H new ATOM 0 HE2 HIS A 125 9.818 -24.752 -2.015 1.00 0.00 H new ATOM 1903 N HIS A 126 16.970 -23.021 0.028 1.00 0.00 N ATOM 1904 CA HIS A 126 18.417 -23.083 0.360 1.00 0.00 C ATOM 1905 C HIS A 126 18.778 -22.076 1.481 1.00 0.00 C ATOM 1906 O HIS A 126 19.085 -20.915 1.208 1.00 0.00 O ATOM 1907 CB HIS A 126 19.294 -22.812 -0.898 1.00 0.00 C ATOM 1908 CG HIS A 126 19.116 -23.803 -2.017 1.00 0.00 C ATOM 1909 ND1 HIS A 126 20.004 -24.829 -2.267 1.00 0.00 N ATOM 1910 CD2 HIS A 126 18.160 -23.905 -2.973 1.00 0.00 C ATOM 1911 CE1 HIS A 126 19.600 -25.518 -3.315 1.00 0.00 C ATOM 1912 NE2 HIS A 126 18.487 -24.978 -3.761 1.00 0.00 N ATOM 0 H HIS A 126 16.679 -22.135 -0.384 1.00 0.00 H new ATOM 0 HA HIS A 126 18.624 -24.091 0.719 1.00 0.00 H new ATOM 0 HB2 HIS A 126 19.066 -21.815 -1.275 1.00 0.00 H new ATOM 0 HB3 HIS A 126 20.342 -22.807 -0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 126 17.301 -23.261 -3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 126 20.098 -26.379 -3.736 1.00 0.00 H new ATOM 0 HE2 HIS A 126 17.952 -25.305 -4.565 1.00 0.00 H new ATOM 1921 N HIS A 127 18.713 -22.525 2.746 1.00 0.00 N ATOM 1922 CA HIS A 127 19.189 -21.728 3.902 1.00 0.00 C ATOM 1923 C HIS A 127 20.735 -21.836 4.040 1.00 0.00 C ATOM 1924 O HIS A 127 21.365 -21.042 4.742 1.00 0.00 O ATOM 1925 CB HIS A 127 18.475 -22.189 5.202 1.00 0.00 C ATOM 1926 CG HIS A 127 18.704 -21.283 6.396 1.00 0.00 C ATOM 1927 ND1 HIS A 127 19.328 -21.688 7.563 1.00 0.00 N ATOM 1928 CD2 HIS A 127 18.381 -19.980 6.589 1.00 0.00 C ATOM 1929 CE1 HIS A 127 19.378 -20.678 8.411 1.00 0.00 C ATOM 1930 NE2 HIS A 127 18.813 -19.635 7.846 1.00 0.00 N ATOM 0 H HIS A 127 18.335 -23.438 3.000 1.00 0.00 H new ATOM 0 HA HIS A 127 18.942 -20.680 3.733 1.00 0.00 H new ATOM 0 HB2 HIS A 127 17.404 -22.254 5.011 1.00 0.00 H new ATOM 0 HB3 HIS A 127 18.816 -23.194 5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 127 17.878 -19.334 5.885 1.00 0.00 H new ATOM 0 HE1 HIS A 127 19.810 -20.704 9.401 1.00 0.00 H new ATOM 0 HE2 HIS A 127 18.711 -18.715 8.273 1.00 0.00 H new ATOM 1939 N HIS A 128 21.330 -22.838 3.359 1.00 0.00 N ATOM 1940 CA HIS A 128 22.797 -23.049 3.301 1.00 0.00 C ATOM 1941 C HIS A 128 23.354 -22.754 1.882 1.00 0.00 C ATOM 1942 O HIS A 128 22.590 -22.631 0.916 1.00 0.00 O ATOM 1943 CB HIS A 128 23.138 -24.501 3.714 1.00 0.00 C ATOM 1944 CG HIS A 128 22.727 -24.857 5.121 1.00 0.00 C ATOM 1945 ND1 HIS A 128 21.805 -25.843 5.418 1.00 0.00 N ATOM 1946 CD2 HIS A 128 23.143 -24.370 6.318 1.00 0.00 C ATOM 1947 CE1 HIS A 128 21.670 -25.943 6.725 1.00 0.00 C ATOM 1948 NE2 HIS A 128 22.468 -25.064 7.293 1.00 0.00 N ATOM 0 H HIS A 128 20.803 -23.531 2.828 1.00 0.00 H new ATOM 0 HA HIS A 128 23.267 -22.355 3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 128 22.652 -25.188 3.021 1.00 0.00 H new ATOM 0 HB3 HIS A 128 24.213 -24.653 3.612 1.00 0.00 H new ATOM 0 HD2 HIS A 128 23.868 -23.585 6.474 1.00 0.00 H new ATOM 0 HE1 HIS A 128 21.016 -26.629 7.242 1.00 0.00 H new ATOM 0 HE2 HIS A 128 22.569 -24.921 8.298 1.00 0.00 H new ATOM 1957 N HIS A 129 24.698 -22.663 1.776 1.00 0.00 N ATOM 1958 CA HIS A 129 25.404 -22.391 0.497 1.00 0.00 C ATOM 1959 C HIS A 129 26.824 -23.017 0.477 1.00 0.00 C ATOM 1960 O HIS A 129 27.337 -23.457 1.513 1.00 0.00 O ATOM 1961 CB HIS A 129 25.476 -20.856 0.229 1.00 0.00 C ATOM 1962 CG HIS A 129 26.055 -20.026 1.356 1.00 0.00 C ATOM 1963 ND1 HIS A 129 25.341 -19.032 1.998 1.00 0.00 N ATOM 1964 CD2 HIS A 129 27.288 -20.013 1.932 1.00 0.00 C ATOM 1965 CE1 HIS A 129 26.096 -18.458 2.911 1.00 0.00 C ATOM 1966 NE2 HIS A 129 27.279 -19.031 2.892 1.00 0.00 N ATOM 0 H HIS A 129 25.326 -22.775 2.572 1.00 0.00 H new ATOM 0 HA HIS A 129 24.830 -22.861 -0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 129 26.074 -20.688 -0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 129 24.471 -20.494 0.014 1.00 0.00 H new ATOM 0 HD2 HIS A 129 28.119 -20.655 1.681 1.00 0.00 H new ATOM 0 HE1 HIS A 129 25.795 -17.653 3.565 1.00 0.00 H new ATOM 0 HE2 HIS A 129 28.065 -18.785 3.494 1.00 0.00 H new ATOM 1975 N HIS A 130 27.442 -23.038 -0.718 1.00 0.00 N ATOM 1976 CA HIS A 130 28.854 -23.479 -0.910 1.00 0.00 C ATOM 1977 C HIS A 130 29.880 -22.534 -0.195 1.00 0.00 C ATOM 1978 O HIS A 130 29.685 -21.301 -0.216 1.00 0.00 O ATOM 1979 CB HIS A 130 29.173 -23.614 -2.428 1.00 0.00 C ATOM 1980 CG HIS A 130 28.853 -22.394 -3.262 1.00 0.00 C ATOM 1981 ND1 HIS A 130 27.676 -22.258 -3.965 1.00 0.00 N ATOM 1982 CD2 HIS A 130 29.557 -21.261 -3.505 1.00 0.00 C ATOM 1983 CE1 HIS A 130 27.671 -21.104 -4.598 1.00 0.00 C ATOM 1984 NE2 HIS A 130 28.796 -20.475 -4.338 1.00 0.00 N ATOM 1985 OXT HIS A 130 30.878 -23.037 0.368 1.00 0.00 O ATOM 0 H HIS A 130 26.985 -22.752 -1.584 1.00 0.00 H new ATOM 0 HA HIS A 130 28.959 -24.457 -0.440 1.00 0.00 H new ATOM 0 HB2 HIS A 130 30.232 -23.845 -2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 130 28.617 -24.463 -2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 130 30.535 -21.020 -3.116 1.00 0.00 H new ATOM 0 HE1 HIS A 130 26.874 -20.735 -5.227 1.00 0.00 H new ATOM 0 HE2 HIS A 130 29.060 -19.557 -4.695 1.00 0.00 H new TER 1994 HIS A 130