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 38 SER OG : rot 170:sc= -0.019 USER MOD Set 1.2: A 105 SER OG : rot 120:sc= 0 USER MOD Set 2.1: A 30 GLN : amide:sc= -0.762 K(o=-0.76,f=-1.7) USER MOD Set 2.2: A 42 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 16 CYS SG : rot 180:sc= 0.851 USER MOD Set 3.2: A 17 CYS SG : rot 73:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0625 (180deg=-0.297) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.114) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0.131 K(o=0.13,f=-0.37) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -160:sc= -0.122 (180deg=-0.588) USER MOD Single : A 21 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.15) USER MOD Single : A 29 CYS SG : rot 180:sc= -0.307 USER MOD Single : A 31 THR OG1 : rot -49:sc= 0.497 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 39 HIS : no HE2:sc= 0.333 K(o=0.33,f=-1.2) USER MOD Single : A 40 THR OG1 : rot -140:sc= 0 USER MOD Single : A 45 MET CE :methyl -149:sc= -0.0965 (180deg=-1.07) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0267 K(o=-0.027,f=-3.8!) USER MOD Single : A 61 MET CE :methyl -164:sc= -0.0525 (180deg=-0.753) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.49) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 44:sc= -0.153 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.308 USER MOD Single : A 83 SER OG : rot 180:sc= 0.633 USER MOD Single : A 86 GLN : amide:sc= -0.913 K(o=-0.91,f=-3.2!) USER MOD Single : A 93 MET CE :methyl -173:sc= 0 (180deg=-0.0748) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 104 LYS NZ :NH3+ -175:sc= 0.184 (180deg=0.174) USER MOD Single : A 109 TYR OH : rot 180:sc= 0.214 USER MOD Single : A 111 SER OG : rot 180:sc= 0.00754 USER MOD Single : A 116 GLN : amide:sc= -0.657 X(o=-0.66,f=-0.74) USER MOD Single : A 118 HIS :FLIP no HE2:sc= 0.0741 F(o=-0.63,f=0.074) USER MOD Single : A 125 HIS : no HD1:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 126 HIS : no HE2:sc= -0.0763 K(o=-0.076,f=-2.6!) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,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= -0.0892 X(o=-0.089,f=-0.51) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.707 25.167 -19.294 1.00 0.00 N ATOM 2 CA MET A 1 -5.405 24.693 -19.848 1.00 0.00 C ATOM 3 C MET A 1 -5.551 23.284 -20.469 1.00 0.00 C ATOM 4 O MET A 1 -5.281 23.094 -21.659 1.00 0.00 O ATOM 5 CB MET A 1 -4.313 24.684 -18.742 1.00 0.00 C ATOM 6 CG MET A 1 -3.966 26.065 -18.167 1.00 0.00 C ATOM 7 SD MET A 1 -2.799 25.974 -16.785 1.00 0.00 S ATOM 8 CE MET A 1 -1.359 25.210 -17.540 1.00 0.00 C ATOM 0 H1 MET A 1 -6.635 26.176 -19.053 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.456 25.033 -20.003 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.939 24.623 -18.439 1.00 0.00 H new ATOM 0 HA MET A 1 -5.100 25.384 -20.634 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.646 24.040 -17.928 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.406 24.238 -19.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.541 26.686 -18.956 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.881 26.555 -17.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.499 25.323 -16.880 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.554 24.150 -17.704 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.149 25.693 -18.495 1.00 0.00 H new ATOM 20 N GLY A 2 -5.986 22.304 -19.651 1.00 0.00 N ATOM 21 CA GLY A 2 -6.129 20.912 -20.110 1.00 0.00 C ATOM 22 C GLY A 2 -6.921 20.043 -19.131 1.00 0.00 C ATOM 23 O GLY A 2 -6.359 19.513 -18.166 1.00 0.00 O ATOM 0 H GLY A 2 -6.242 22.452 -18.675 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.626 20.903 -21.080 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.139 20.479 -20.255 1.00 0.00 H new ATOM 27 N GLN A 3 -8.235 19.904 -19.378 1.00 0.00 N ATOM 28 CA GLN A 3 -9.139 19.072 -18.551 1.00 0.00 C ATOM 29 C GLN A 3 -9.774 17.954 -19.411 1.00 0.00 C ATOM 30 O GLN A 3 -10.530 18.244 -20.347 1.00 0.00 O ATOM 31 CB GLN A 3 -10.252 19.957 -17.921 1.00 0.00 C ATOM 32 CG GLN A 3 -11.280 19.188 -17.058 1.00 0.00 C ATOM 33 CD GLN A 3 -12.427 20.067 -16.556 1.00 0.00 C ATOM 34 OE1 GLN A 3 -12.356 20.655 -15.485 1.00 0.00 O ATOM 35 NE2 GLN A 3 -13.495 20.168 -17.329 1.00 0.00 N ATOM 0 H GLN A 3 -8.705 20.365 -20.157 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.558 18.612 -17.752 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -9.782 20.724 -17.305 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.783 20.473 -18.721 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.691 18.365 -17.642 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -10.768 18.747 -16.203 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.531 19.668 -18.217 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.283 20.746 -17.037 1.00 0.00 H new ATOM 44 N GLY A 4 -9.440 16.687 -19.103 1.00 0.00 N ATOM 45 CA GLY A 4 -10.148 15.523 -19.670 1.00 0.00 C ATOM 46 C GLY A 4 -11.389 15.151 -18.847 1.00 0.00 C ATOM 47 O GLY A 4 -12.074 16.034 -18.315 1.00 0.00 O ATOM 0 H GLY A 4 -8.683 16.443 -18.464 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.445 15.743 -20.695 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.470 14.670 -19.710 1.00 0.00 H new ATOM 51 N GLN A 5 -11.695 13.844 -18.751 1.00 0.00 N ATOM 52 CA GLN A 5 -12.774 13.319 -17.875 1.00 0.00 C ATOM 53 C GLN A 5 -12.244 12.147 -17.025 1.00 0.00 C ATOM 54 O GLN A 5 -11.862 11.092 -17.549 1.00 0.00 O ATOM 55 CB GLN A 5 -14.022 12.911 -18.708 1.00 0.00 C ATOM 56 CG GLN A 5 -14.834 14.120 -19.204 1.00 0.00 C ATOM 57 CD GLN A 5 -15.966 13.756 -20.159 1.00 0.00 C ATOM 58 OE1 GLN A 5 -15.789 13.728 -21.371 1.00 0.00 O ATOM 59 NE2 GLN A 5 -17.139 13.475 -19.626 1.00 0.00 N ATOM 0 H GLN A 5 -11.206 13.118 -19.275 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.090 14.111 -17.196 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.702 12.319 -19.565 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -14.664 12.273 -18.101 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.252 14.642 -18.343 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -14.161 14.817 -19.703 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.260 13.506 -18.614 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.926 13.227 -20.226 1.00 0.00 H new ATOM 68 N ASN A 6 -12.277 12.343 -15.701 1.00 0.00 N ATOM 69 CA ASN A 6 -11.603 11.476 -14.721 1.00 0.00 C ATOM 70 C ASN A 6 -12.431 11.403 -13.410 1.00 0.00 C ATOM 71 O ASN A 6 -12.318 12.240 -12.511 1.00 0.00 O ATOM 72 CB ASN A 6 -10.155 12.006 -14.488 1.00 0.00 C ATOM 73 CG ASN A 6 -10.103 13.516 -14.203 1.00 0.00 C ATOM 74 OD1 ASN A 6 -10.098 14.339 -15.117 1.00 0.00 O ATOM 75 ND2 ASN A 6 -10.054 13.891 -12.948 1.00 0.00 N ATOM 0 H ASN A 6 -12.780 13.120 -15.272 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.530 10.457 -15.100 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.708 11.469 -13.651 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.549 11.787 -15.367 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.011 14.883 -12.713 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -10.059 13.191 -12.206 1.00 0.00 H new ATOM 82 N VAL A 7 -13.269 10.360 -13.343 1.00 0.00 N ATOM 83 CA VAL A 7 -14.221 10.102 -12.239 1.00 0.00 C ATOM 84 C VAL A 7 -14.579 8.603 -12.208 1.00 0.00 C ATOM 85 O VAL A 7 -14.447 7.927 -11.182 1.00 0.00 O ATOM 86 CB VAL A 7 -15.573 10.952 -12.384 1.00 0.00 C ATOM 87 CG1 VAL A 7 -15.442 12.343 -11.738 1.00 0.00 C ATOM 88 CG2 VAL A 7 -16.020 11.089 -13.874 1.00 0.00 C ATOM 0 H VAL A 7 -13.309 9.649 -14.073 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.731 10.406 -11.314 1.00 0.00 H new ATOM 0 HB VAL A 7 -16.345 10.397 -11.850 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.378 12.889 -11.857 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.219 12.232 -10.677 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.636 12.895 -12.222 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.940 11.672 -13.926 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.239 11.592 -14.443 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.194 10.098 -14.294 1.00 0.00 H new ATOM 98 N LEU A 8 -15.015 8.107 -13.372 1.00 0.00 N ATOM 99 CA LEU A 8 -15.634 6.776 -13.522 1.00 0.00 C ATOM 100 C LEU A 8 -14.629 5.703 -14.004 1.00 0.00 C ATOM 101 O LEU A 8 -14.786 4.520 -13.695 1.00 0.00 O ATOM 102 CB LEU A 8 -16.813 6.910 -14.507 1.00 0.00 C ATOM 103 CG LEU A 8 -17.937 7.902 -14.070 1.00 0.00 C ATOM 104 CD1 LEU A 8 -18.966 8.095 -15.192 1.00 0.00 C ATOM 105 CD2 LEU A 8 -18.610 7.451 -12.747 1.00 0.00 C ATOM 0 H LEU A 8 -14.949 8.622 -14.250 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.984 6.437 -12.547 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.423 7.231 -15.473 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.257 5.925 -14.653 1.00 0.00 H new ATOM 0 HG LEU A 8 -17.472 8.869 -13.879 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.738 8.790 -14.862 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -18.470 8.496 -16.076 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -19.422 7.136 -15.436 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.387 8.164 -12.473 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -19.054 6.465 -12.882 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -17.862 7.407 -11.955 1.00 0.00 H new ATOM 117 N GLY A 9 -13.604 6.136 -14.766 1.00 0.00 N ATOM 118 CA GLY A 9 -12.611 5.216 -15.345 1.00 0.00 C ATOM 119 C GLY A 9 -13.148 4.480 -16.579 1.00 0.00 C ATOM 120 O GLY A 9 -13.733 3.400 -16.465 1.00 0.00 O ATOM 0 H GLY A 9 -13.445 7.118 -14.993 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.717 5.776 -15.619 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.312 4.487 -14.592 1.00 0.00 H new ATOM 124 N GLN A 10 -12.942 5.076 -17.765 1.00 0.00 N ATOM 125 CA GLN A 10 -13.445 4.555 -19.050 1.00 0.00 C ATOM 126 C GLN A 10 -12.345 4.675 -20.123 1.00 0.00 C ATOM 127 O GLN A 10 -11.389 5.447 -19.949 1.00 0.00 O ATOM 128 CB GLN A 10 -14.735 5.320 -19.472 1.00 0.00 C ATOM 129 CG GLN A 10 -14.621 6.857 -19.398 1.00 0.00 C ATOM 130 CD GLN A 10 -15.826 7.582 -19.996 1.00 0.00 C ATOM 131 OE1 GLN A 10 -15.843 7.911 -21.177 1.00 0.00 O ATOM 132 NE2 GLN A 10 -16.858 7.808 -19.203 1.00 0.00 N ATOM 0 H GLN A 10 -12.415 5.944 -17.861 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.704 3.502 -18.941 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.993 5.036 -20.492 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.558 4.998 -18.834 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.506 7.156 -18.356 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.719 7.173 -19.922 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.820 7.525 -18.224 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.693 8.265 -19.570 1.00 0.00 H new ATOM 141 N ASP A 11 -12.501 3.900 -21.218 1.00 0.00 N ATOM 142 CA ASP A 11 -11.488 3.755 -22.294 1.00 0.00 C ATOM 143 C ASP A 11 -10.167 3.131 -21.725 1.00 0.00 C ATOM 144 O ASP A 11 -9.058 3.369 -22.219 1.00 0.00 O ATOM 145 CB ASP A 11 -11.261 5.126 -23.014 1.00 0.00 C ATOM 146 CG ASP A 11 -10.505 5.014 -24.350 1.00 0.00 C ATOM 147 OD1 ASP A 11 -11.091 4.502 -25.326 1.00 0.00 O ATOM 148 OD2 ASP A 11 -9.331 5.427 -24.432 1.00 0.00 O ATOM 0 H ASP A 11 -13.343 3.349 -21.385 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.856 3.061 -23.050 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.228 5.595 -23.194 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.706 5.787 -22.348 1.00 0.00 H new ATOM 153 N LEU A 12 -10.334 2.280 -20.697 1.00 0.00 N ATOM 154 CA LEU A 12 -9.226 1.664 -19.941 1.00 0.00 C ATOM 155 C LEU A 12 -8.781 0.348 -20.628 1.00 0.00 C ATOM 156 O LEU A 12 -9.618 -0.495 -20.969 1.00 0.00 O ATOM 157 CB LEU A 12 -9.699 1.437 -18.464 1.00 0.00 C ATOM 158 CG LEU A 12 -8.603 1.083 -17.382 1.00 0.00 C ATOM 159 CD1 LEU A 12 -9.080 1.479 -15.965 1.00 0.00 C ATOM 160 CD2 LEU A 12 -8.199 -0.419 -17.406 1.00 0.00 C ATOM 0 H LEU A 12 -11.255 1.996 -20.362 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.356 2.320 -19.926 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.214 2.340 -18.135 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.436 0.634 -18.469 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.717 1.663 -17.640 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.309 1.226 -15.237 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.272 2.552 -15.932 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.996 0.939 -15.725 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.444 -0.605 -16.642 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.076 -1.035 -17.206 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.794 -0.671 -18.386 1.00 0.00 H new ATOM 172 N GLU A 13 -7.457 0.190 -20.827 1.00 0.00 N ATOM 173 CA GLU A 13 -6.853 -1.034 -21.419 1.00 0.00 C ATOM 174 C GLU A 13 -6.077 -1.844 -20.347 1.00 0.00 C ATOM 175 O GLU A 13 -5.616 -1.282 -19.346 1.00 0.00 O ATOM 176 CB GLU A 13 -5.893 -0.660 -22.590 1.00 0.00 C ATOM 177 CG GLU A 13 -4.694 0.226 -22.186 1.00 0.00 C ATOM 178 CD GLU A 13 -3.656 0.413 -23.307 1.00 0.00 C ATOM 179 OE1 GLU A 13 -3.836 1.312 -24.154 1.00 0.00 O ATOM 180 OE2 GLU A 13 -2.653 -0.336 -23.335 1.00 0.00 O ATOM 0 H GLU A 13 -6.771 0.904 -20.584 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.664 -1.652 -21.805 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.514 -1.579 -23.038 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.466 -0.143 -23.360 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.064 1.204 -21.879 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.203 -0.216 -21.319 1.00 0.00 H new ATOM 187 N VAL A 14 -5.935 -3.163 -20.578 1.00 0.00 N ATOM 188 CA VAL A 14 -5.103 -4.051 -19.738 1.00 0.00 C ATOM 189 C VAL A 14 -4.656 -5.311 -20.532 1.00 0.00 C ATOM 190 O VAL A 14 -5.423 -5.860 -21.330 1.00 0.00 O ATOM 191 CB VAL A 14 -5.835 -4.454 -18.395 1.00 0.00 C ATOM 192 CG1 VAL A 14 -7.115 -5.297 -18.652 1.00 0.00 C ATOM 193 CG2 VAL A 14 -4.856 -5.162 -17.416 1.00 0.00 C ATOM 0 H VAL A 14 -6.393 -3.645 -21.352 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.211 -3.489 -19.460 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.168 -3.533 -17.918 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.582 -5.549 -17.700 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.814 -4.721 -19.258 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.848 -6.213 -19.179 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.385 -5.428 -16.501 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.463 -6.065 -17.884 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.032 -4.490 -17.176 1.00 0.00 H new ATOM 203 N CYS A 15 -3.386 -5.728 -20.338 1.00 0.00 N ATOM 204 CA CYS A 15 -2.835 -6.967 -20.933 1.00 0.00 C ATOM 205 C CYS A 15 -2.975 -8.146 -19.937 1.00 0.00 C ATOM 206 O CYS A 15 -3.864 -8.985 -20.101 1.00 0.00 O ATOM 207 CB CYS A 15 -1.356 -6.759 -21.347 1.00 0.00 C ATOM 208 SG CYS A 15 -1.083 -5.481 -22.595 1.00 0.00 S ATOM 0 H CYS A 15 -2.714 -5.217 -19.766 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.403 -7.210 -21.831 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.778 -6.507 -20.458 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.964 -7.703 -21.724 1.00 0.00 H new ATOM 0 HG CYS A 15 0.187 -5.396 -22.859 1.00 0.00 H new ATOM 214 N CYS A 16 -2.100 -8.163 -18.893 1.00 0.00 N ATOM 215 CA CYS A 16 -2.113 -9.154 -17.772 1.00 0.00 C ATOM 216 C CYS A 16 -2.162 -10.644 -18.227 1.00 0.00 C ATOM 217 O CYS A 16 -3.223 -11.150 -18.614 1.00 0.00 O ATOM 218 CB CYS A 16 -3.271 -8.871 -16.783 1.00 0.00 C ATOM 219 SG CYS A 16 -3.302 -9.975 -15.343 1.00 0.00 S ATOM 0 H CYS A 16 -1.351 -7.477 -18.803 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.155 -9.016 -17.271 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.194 -7.841 -16.436 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.218 -8.958 -17.315 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.303 -9.659 -14.576 1.00 0.00 H new ATOM 225 N CYS A 17 -0.986 -11.323 -18.190 1.00 0.00 N ATOM 226 CA CYS A 17 -0.837 -12.796 -18.443 1.00 0.00 C ATOM 227 C CYS A 17 -1.056 -13.203 -19.930 1.00 0.00 C ATOM 228 O CYS A 17 -0.890 -14.377 -20.283 1.00 0.00 O ATOM 229 CB CYS A 17 -1.775 -13.615 -17.514 1.00 0.00 C ATOM 230 SG CYS A 17 -1.675 -13.132 -15.774 1.00 0.00 S ATOM 0 H CYS A 17 -0.099 -10.865 -17.982 1.00 0.00 H new ATOM 0 HA CYS A 17 0.201 -13.033 -18.211 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.803 -13.498 -17.856 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.528 -14.673 -17.603 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.262 -11.984 -15.608 1.00 0.00 H new ATOM 236 N ALA A 18 -1.412 -12.230 -20.787 1.00 0.00 N ATOM 237 CA ALA A 18 -1.669 -12.451 -22.227 1.00 0.00 C ATOM 238 C ALA A 18 -0.344 -12.707 -23.014 1.00 0.00 C ATOM 239 O ALA A 18 0.737 -12.373 -22.519 1.00 0.00 O ATOM 240 CB ALA A 18 -2.423 -11.224 -22.782 1.00 0.00 C ATOM 0 H ALA A 18 -1.531 -11.258 -20.500 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.280 -13.345 -22.353 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.622 -11.369 -23.844 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.366 -11.105 -22.249 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.814 -10.330 -22.645 1.00 0.00 H new ATOM 246 N PRO A 19 -0.384 -13.363 -24.222 1.00 0.00 N ATOM 247 CA PRO A 19 0.813 -13.468 -25.106 1.00 0.00 C ATOM 248 C PRO A 19 1.327 -12.068 -25.556 1.00 0.00 C ATOM 249 O PRO A 19 0.571 -11.280 -26.140 1.00 0.00 O ATOM 250 CB PRO A 19 0.315 -14.330 -26.306 1.00 0.00 C ATOM 251 CG PRO A 19 -1.185 -14.230 -26.258 1.00 0.00 C ATOM 252 CD PRO A 19 -1.545 -14.098 -24.792 1.00 0.00 C ATOM 0 HA PRO A 19 1.669 -13.918 -24.603 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.706 -13.954 -27.252 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.645 -15.365 -26.213 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.538 -13.369 -26.826 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.650 -15.113 -26.696 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.476 -13.549 -24.654 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.676 -15.072 -24.320 1.00 0.00 H new ATOM 260 N MET A 20 2.609 -11.780 -25.221 1.00 0.00 N ATOM 261 CA MET A 20 3.299 -10.493 -25.492 1.00 0.00 C ATOM 262 C MET A 20 2.698 -9.331 -24.634 1.00 0.00 C ATOM 263 O MET A 20 2.472 -8.206 -25.113 1.00 0.00 O ATOM 264 CB MET A 20 3.330 -10.179 -27.027 1.00 0.00 C ATOM 265 CG MET A 20 4.338 -9.095 -27.457 1.00 0.00 C ATOM 266 SD MET A 20 4.402 -8.859 -29.248 1.00 0.00 S ATOM 267 CE MET A 20 4.978 -10.464 -29.811 1.00 0.00 C ATOM 0 H MET A 20 3.207 -12.453 -24.743 1.00 0.00 H new ATOM 0 HA MET A 20 4.339 -10.589 -25.180 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.559 -11.099 -27.565 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.333 -9.868 -27.338 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.073 -8.151 -26.981 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.330 -9.366 -27.096 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.397 -10.369 -30.813 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.744 -10.835 -29.130 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.142 -11.164 -29.832 1.00 0.00 H new ATOM 277 N THR A 21 2.445 -9.637 -23.343 1.00 0.00 N ATOM 278 CA THR A 21 2.064 -8.631 -22.321 1.00 0.00 C ATOM 279 C THR A 21 3.215 -7.615 -22.117 1.00 0.00 C ATOM 280 O THR A 21 4.269 -7.958 -21.562 1.00 0.00 O ATOM 281 CB THR A 21 1.686 -9.320 -20.950 1.00 0.00 C ATOM 282 OG1 THR A 21 0.430 -9.998 -21.073 1.00 0.00 O ATOM 283 CG2 THR A 21 1.585 -8.342 -19.771 1.00 0.00 C ATOM 0 H THR A 21 2.498 -10.588 -22.977 1.00 0.00 H new ATOM 0 HA THR A 21 1.183 -8.100 -22.681 1.00 0.00 H new ATOM 0 HB THR A 21 2.499 -10.013 -20.736 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.565 -10.856 -21.527 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.322 -8.889 -18.866 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.544 -7.844 -19.628 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.817 -7.597 -19.981 1.00 0.00 H new ATOM 291 N GLY A 22 3.024 -6.384 -22.623 1.00 0.00 N ATOM 292 CA GLY A 22 4.031 -5.314 -22.500 1.00 0.00 C ATOM 293 C GLY A 22 4.211 -4.486 -23.778 1.00 0.00 C ATOM 294 O GLY A 22 4.688 -3.349 -23.706 1.00 0.00 O ATOM 0 H GLY A 22 2.180 -6.105 -23.122 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.744 -4.650 -21.685 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.988 -5.758 -22.228 1.00 0.00 H new ATOM 298 N TRP A 23 3.828 -5.061 -24.945 1.00 0.00 N ATOM 299 CA TRP A 23 3.897 -4.365 -26.262 1.00 0.00 C ATOM 300 C TRP A 23 3.063 -3.052 -26.255 1.00 0.00 C ATOM 301 O TRP A 23 3.524 -2.006 -26.726 1.00 0.00 O ATOM 302 CB TRP A 23 3.409 -5.313 -27.397 1.00 0.00 C ATOM 303 CG TRP A 23 3.612 -4.775 -28.807 1.00 0.00 C ATOM 304 CD1 TRP A 23 4.745 -4.881 -29.576 1.00 0.00 C ATOM 305 CD2 TRP A 23 2.661 -4.047 -29.609 1.00 0.00 C ATOM 306 NE1 TRP A 23 4.551 -4.275 -30.793 1.00 0.00 N ATOM 307 CE2 TRP A 23 3.284 -3.756 -30.837 1.00 0.00 C ATOM 308 CE3 TRP A 23 1.344 -3.619 -29.406 1.00 0.00 C ATOM 309 CZ2 TRP A 23 2.637 -3.059 -31.855 1.00 0.00 C ATOM 310 CZ3 TRP A 23 0.704 -2.923 -30.414 1.00 0.00 C ATOM 311 CH2 TRP A 23 1.350 -2.650 -31.627 1.00 0.00 C ATOM 0 H TRP A 23 3.465 -6.012 -25.004 1.00 0.00 H new ATOM 0 HA TRP A 23 4.937 -4.096 -26.446 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.933 -6.265 -27.307 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.349 -5.518 -27.250 1.00 0.00 H new ATOM 0 HD1 TRP A 23 5.657 -5.370 -29.268 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.240 -4.220 -31.543 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.836 -3.829 -28.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 3.133 -2.849 -32.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.310 -2.584 -30.264 1.00 0.00 H new ATOM 0 HH2 TRP A 23 0.823 -2.107 -32.397 1.00 0.00 H new ATOM 322 N TYR A 24 1.831 -3.133 -25.719 1.00 0.00 N ATOM 323 CA TYR A 24 0.940 -1.955 -25.534 1.00 0.00 C ATOM 324 C TYR A 24 1.462 -0.996 -24.430 1.00 0.00 C ATOM 325 O TYR A 24 1.193 0.210 -24.484 1.00 0.00 O ATOM 326 CB TYR A 24 -0.503 -2.418 -25.211 1.00 0.00 C ATOM 327 CG TYR A 24 -1.206 -3.092 -26.399 1.00 0.00 C ATOM 328 CD1 TYR A 24 -1.939 -2.334 -27.322 1.00 0.00 C ATOM 329 CD2 TYR A 24 -1.135 -4.475 -26.604 1.00 0.00 C ATOM 330 CE1 TYR A 24 -2.560 -2.927 -28.403 1.00 0.00 C ATOM 331 CE2 TYR A 24 -1.760 -5.071 -27.687 1.00 0.00 C ATOM 332 CZ TYR A 24 -2.475 -4.292 -28.579 1.00 0.00 C ATOM 333 OH TYR A 24 -3.093 -4.880 -29.664 1.00 0.00 O ATOM 0 H TYR A 24 1.419 -4.010 -25.401 1.00 0.00 H new ATOM 0 HA TYR A 24 0.936 -1.398 -26.471 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.475 -3.114 -24.372 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.090 -1.557 -24.891 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.020 -1.266 -27.185 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.584 -5.088 -25.906 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.111 -2.323 -29.109 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.689 -6.139 -27.834 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.938 -5.847 -29.644 1.00 0.00 H new ATOM 343 N ARG A 25 2.199 -1.566 -23.445 1.00 0.00 N ATOM 344 CA ARG A 25 2.845 -0.836 -22.316 1.00 0.00 C ATOM 345 C ARG A 25 1.816 -0.287 -21.288 1.00 0.00 C ATOM 346 O ARG A 25 1.755 -0.778 -20.165 1.00 0.00 O ATOM 347 CB ARG A 25 3.795 0.292 -22.820 1.00 0.00 C ATOM 348 CG ARG A 25 4.563 1.045 -21.702 1.00 0.00 C ATOM 349 CD ARG A 25 5.401 2.221 -22.236 1.00 0.00 C ATOM 350 NE ARG A 25 4.564 3.209 -22.955 1.00 0.00 N ATOM 351 CZ ARG A 25 4.312 4.441 -22.567 1.00 0.00 C ATOM 352 NH1 ARG A 25 4.766 4.901 -21.445 1.00 0.00 N ATOM 353 NH2 ARG A 25 3.588 5.208 -23.311 1.00 0.00 N ATOM 0 H ARG A 25 2.367 -2.571 -23.409 1.00 0.00 H new ATOM 0 HA ARG A 25 3.453 -1.572 -21.791 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.519 -0.143 -23.509 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.209 1.014 -23.388 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.850 1.418 -20.967 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.218 0.345 -21.184 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.910 2.711 -21.406 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.173 1.843 -22.906 1.00 0.00 H new ATOM 0 HE ARG A 25 4.143 2.906 -23.833 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.332 4.305 -20.841 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.558 5.859 -21.165 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.215 4.858 -24.194 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.389 6.164 -23.016 1.00 0.00 H new ATOM 367 N ASN A 26 1.015 0.717 -21.708 1.00 0.00 N ATOM 368 CA ASN A 26 0.031 1.453 -20.857 1.00 0.00 C ATOM 369 C ASN A 26 -0.826 0.530 -19.932 1.00 0.00 C ATOM 370 O ASN A 26 -0.937 0.775 -18.724 1.00 0.00 O ATOM 371 CB ASN A 26 -0.888 2.284 -21.794 1.00 0.00 C ATOM 372 CG ASN A 26 -1.910 3.172 -21.073 1.00 0.00 C ATOM 373 OD1 ASN A 26 -1.653 3.693 -19.995 1.00 0.00 O ATOM 374 ND2 ASN A 26 -3.078 3.354 -21.667 1.00 0.00 N ATOM 0 H ASN A 26 1.029 1.053 -22.671 1.00 0.00 H new ATOM 0 HA ASN A 26 0.594 2.094 -20.178 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.263 2.914 -22.427 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.423 1.601 -22.454 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.788 3.939 -21.227 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.268 2.909 -22.565 1.00 0.00 H new ATOM 381 N GLY A 27 -1.397 -0.544 -20.511 1.00 0.00 N ATOM 382 CA GLY A 27 -2.263 -1.481 -19.766 1.00 0.00 C ATOM 383 C GLY A 27 -1.536 -2.566 -18.946 1.00 0.00 C ATOM 384 O GLY A 27 -2.122 -3.612 -18.650 1.00 0.00 O ATOM 0 H GLY A 27 -1.274 -0.785 -21.494 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.893 -0.903 -19.089 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.927 -1.974 -20.476 1.00 0.00 H new ATOM 388 N PHE A 28 -0.266 -2.332 -18.579 1.00 0.00 N ATOM 389 CA PHE A 28 0.509 -3.242 -17.709 1.00 0.00 C ATOM 390 C PHE A 28 1.736 -2.499 -17.131 1.00 0.00 C ATOM 391 O PHE A 28 1.826 -2.246 -15.924 1.00 0.00 O ATOM 392 CB PHE A 28 0.948 -4.503 -18.505 1.00 0.00 C ATOM 393 CG PHE A 28 1.879 -5.433 -17.735 1.00 0.00 C ATOM 394 CD1 PHE A 28 1.389 -6.235 -16.705 1.00 0.00 C ATOM 395 CD2 PHE A 28 3.244 -5.495 -18.031 1.00 0.00 C ATOM 396 CE1 PHE A 28 2.232 -7.075 -16.000 1.00 0.00 C ATOM 397 CE2 PHE A 28 4.088 -6.335 -17.326 1.00 0.00 C ATOM 398 CZ PHE A 28 3.580 -7.126 -16.309 1.00 0.00 C ATOM 0 H PHE A 28 0.256 -1.507 -18.875 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.120 -3.567 -16.880 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.059 -5.060 -18.801 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.445 -4.186 -19.422 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.339 -6.200 -16.455 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.646 -4.878 -18.821 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.837 -7.692 -15.207 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.140 -6.374 -17.568 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.236 -7.783 -15.757 1.00 0.00 H new ATOM 408 N CYS A 29 2.677 -2.158 -18.030 1.00 0.00 N ATOM 409 CA CYS A 29 3.925 -1.434 -17.695 1.00 0.00 C ATOM 410 C CYS A 29 3.658 0.090 -17.618 1.00 0.00 C ATOM 411 O CYS A 29 4.140 0.885 -18.436 1.00 0.00 O ATOM 412 CB CYS A 29 5.026 -1.765 -18.735 1.00 0.00 C ATOM 413 SG CYS A 29 6.633 -1.014 -18.382 1.00 0.00 S ATOM 0 H CYS A 29 2.595 -2.378 -19.023 1.00 0.00 H new ATOM 0 HA CYS A 29 4.277 -1.759 -16.716 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.147 -2.847 -18.787 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.692 -1.434 -19.718 1.00 0.00 H new ATOM 0 HG CYS A 29 7.482 -1.352 -19.306 1.00 0.00 H new ATOM 419 N GLN A 30 2.837 0.474 -16.629 1.00 0.00 N ATOM 420 CA GLN A 30 2.447 1.879 -16.371 1.00 0.00 C ATOM 421 C GLN A 30 3.477 2.566 -15.430 1.00 0.00 C ATOM 422 O GLN A 30 3.156 3.090 -14.357 1.00 0.00 O ATOM 423 CB GLN A 30 0.979 1.911 -15.836 1.00 0.00 C ATOM 424 CG GLN A 30 0.669 0.923 -14.677 1.00 0.00 C ATOM 425 CD GLN A 30 -0.831 0.721 -14.392 1.00 0.00 C ATOM 426 OE1 GLN A 30 -1.232 0.475 -13.259 1.00 0.00 O ATOM 427 NE2 GLN A 30 -1.671 0.782 -15.415 1.00 0.00 N ATOM 0 H GLN A 30 2.417 -0.186 -15.975 1.00 0.00 H new ATOM 0 HA GLN A 30 2.463 2.459 -17.293 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.756 2.923 -15.497 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.304 1.696 -16.664 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.114 -0.044 -14.912 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.153 1.285 -13.770 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.321 0.988 -16.351 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.668 0.623 -15.267 1.00 0.00 H new ATOM 436 N THR A 31 4.732 2.569 -15.910 1.00 0.00 N ATOM 437 CA THR A 31 5.922 3.147 -15.229 1.00 0.00 C ATOM 438 C THR A 31 6.164 4.609 -15.711 1.00 0.00 C ATOM 439 O THR A 31 7.314 5.080 -15.802 1.00 0.00 O ATOM 440 CB THR A 31 7.170 2.231 -15.545 1.00 0.00 C ATOM 441 OG1 THR A 31 8.354 2.711 -14.895 1.00 0.00 O ATOM 442 CG2 THR A 31 7.431 2.103 -17.062 1.00 0.00 C ATOM 0 H THR A 31 4.963 2.157 -16.814 1.00 0.00 H new ATOM 0 HA THR A 31 5.760 3.180 -14.152 1.00 0.00 H new ATOM 0 HB THR A 31 6.926 1.243 -15.155 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.454 3.671 -15.065 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.298 1.464 -17.229 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.558 1.664 -17.546 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.621 3.090 -17.483 1.00 0.00 H new ATOM 450 N ASP A 32 5.040 5.331 -15.948 1.00 0.00 N ATOM 451 CA ASP A 32 4.996 6.619 -16.682 1.00 0.00 C ATOM 452 C ASP A 32 5.465 6.425 -18.154 1.00 0.00 C ATOM 453 O ASP A 32 4.642 6.331 -19.068 1.00 0.00 O ATOM 454 CB ASP A 32 5.798 7.737 -15.958 1.00 0.00 C ATOM 455 CG ASP A 32 5.342 7.969 -14.504 1.00 0.00 C ATOM 456 OD1 ASP A 32 4.331 8.670 -14.295 1.00 0.00 O ATOM 457 OD2 ASP A 32 5.997 7.455 -13.569 1.00 0.00 O ATOM 0 H ASP A 32 4.121 5.027 -15.627 1.00 0.00 H new ATOM 0 HA ASP A 32 3.959 6.954 -16.701 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.856 7.477 -15.963 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.696 8.668 -16.516 1.00 0.00 H new ATOM 462 N VAL A 33 6.798 6.356 -18.365 1.00 0.00 N ATOM 463 CA VAL A 33 7.419 5.928 -19.648 1.00 0.00 C ATOM 464 C VAL A 33 8.506 4.873 -19.345 1.00 0.00 C ATOM 465 O VAL A 33 8.524 3.785 -19.935 1.00 0.00 O ATOM 466 CB VAL A 33 8.050 7.135 -20.459 1.00 0.00 C ATOM 467 CG1 VAL A 33 8.798 6.643 -21.732 1.00 0.00 C ATOM 468 CG2 VAL A 33 6.968 8.185 -20.835 1.00 0.00 C ATOM 0 H VAL A 33 7.482 6.596 -17.648 1.00 0.00 H new ATOM 0 HA VAL A 33 6.633 5.508 -20.276 1.00 0.00 H new ATOM 0 HB VAL A 33 8.780 7.613 -19.806 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.217 7.499 -22.261 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.602 5.966 -21.443 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.100 6.119 -22.385 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.430 9.001 -21.390 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.203 7.714 -21.452 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.511 8.578 -19.927 1.00 0.00 H new ATOM 478 N GLN A 34 9.393 5.215 -18.388 1.00 0.00 N ATOM 479 CA GLN A 34 10.515 4.356 -17.952 1.00 0.00 C ATOM 480 C GLN A 34 10.972 4.727 -16.515 1.00 0.00 C ATOM 481 O GLN A 34 11.097 3.853 -15.651 1.00 0.00 O ATOM 482 CB GLN A 34 11.705 4.454 -18.959 1.00 0.00 C ATOM 483 CG GLN A 34 12.211 5.886 -19.262 1.00 0.00 C ATOM 484 CD GLN A 34 13.396 5.932 -20.236 1.00 0.00 C ATOM 485 OE1 GLN A 34 14.213 5.016 -20.294 1.00 0.00 O ATOM 486 NE2 GLN A 34 13.501 7.000 -21.006 1.00 0.00 N ATOM 0 H GLN A 34 9.351 6.104 -17.891 1.00 0.00 H new ATOM 0 HA GLN A 34 10.167 3.323 -17.935 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.537 3.869 -18.568 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.402 3.989 -19.897 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.390 6.471 -19.676 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.503 6.363 -18.327 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.810 7.747 -20.939 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.273 7.078 -21.668 1.00 0.00 H new ATOM 495 N ASP A 35 11.182 6.046 -16.293 1.00 0.00 N ATOM 496 CA ASP A 35 11.710 6.633 -15.042 1.00 0.00 C ATOM 497 C ASP A 35 13.010 5.935 -14.555 1.00 0.00 C ATOM 498 O ASP A 35 12.970 5.033 -13.702 1.00 0.00 O ATOM 499 CB ASP A 35 10.620 6.675 -13.944 1.00 0.00 C ATOM 500 CG ASP A 35 11.080 7.395 -12.665 1.00 0.00 C ATOM 501 OD1 ASP A 35 11.557 8.541 -12.760 1.00 0.00 O ATOM 502 OD2 ASP A 35 10.972 6.822 -11.566 1.00 0.00 O ATOM 0 H ASP A 35 10.982 6.751 -17.002 1.00 0.00 H new ATOM 0 HA ASP A 35 11.992 7.662 -15.265 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.735 7.176 -14.338 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.325 5.656 -13.694 1.00 0.00 H new ATOM 507 N ARG A 36 14.147 6.324 -15.190 1.00 0.00 N ATOM 508 CA ARG A 36 15.527 5.851 -14.860 1.00 0.00 C ATOM 509 C ARG A 36 15.777 4.355 -15.219 1.00 0.00 C ATOM 510 O ARG A 36 16.924 3.884 -15.164 1.00 0.00 O ATOM 511 CB ARG A 36 15.857 6.119 -13.362 1.00 0.00 C ATOM 512 CG ARG A 36 15.712 7.605 -12.915 1.00 0.00 C ATOM 513 CD ARG A 36 15.444 7.724 -11.402 1.00 0.00 C ATOM 514 NE ARG A 36 14.193 7.017 -11.042 1.00 0.00 N ATOM 515 CZ ARG A 36 14.050 6.151 -10.061 1.00 0.00 C ATOM 516 NH1 ARG A 36 14.991 5.930 -9.198 1.00 0.00 N ATOM 517 NH2 ARG A 36 12.941 5.510 -9.948 1.00 0.00 N ATOM 0 H ARG A 36 14.134 6.989 -15.963 1.00 0.00 H new ATOM 0 HA ARG A 36 16.203 6.431 -15.488 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.203 5.503 -12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.879 5.794 -13.166 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.621 8.151 -13.167 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.896 8.073 -13.467 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.280 7.303 -10.844 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.369 8.774 -11.121 1.00 0.00 H new ATOM 0 HE ARG A 36 13.367 7.220 -11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.875 6.434 -9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.848 5.252 -8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.186 5.676 -10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.816 4.836 -9.193 1.00 0.00 H new ATOM 531 N GLY A 37 14.711 3.622 -15.597 1.00 0.00 N ATOM 532 CA GLY A 37 14.791 2.183 -15.864 1.00 0.00 C ATOM 533 C GLY A 37 13.492 1.458 -15.500 1.00 0.00 C ATOM 534 O GLY A 37 12.966 0.681 -16.300 1.00 0.00 O ATOM 0 H GLY A 37 13.778 4.014 -15.724 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.012 2.022 -16.919 1.00 0.00 H new ATOM 0 HA3 GLY A 37 15.617 1.754 -15.296 1.00 0.00 H new ATOM 538 N SER A 38 12.967 1.730 -14.279 1.00 0.00 N ATOM 539 CA SER A 38 11.735 1.074 -13.759 1.00 0.00 C ATOM 540 C SER A 38 11.097 1.889 -12.609 1.00 0.00 C ATOM 541 O SER A 38 11.802 2.442 -11.753 1.00 0.00 O ATOM 542 CB SER A 38 12.034 -0.367 -13.271 1.00 0.00 C ATOM 543 OG SER A 38 10.856 -1.019 -12.807 1.00 0.00 O ATOM 0 H SER A 38 13.378 2.402 -13.631 1.00 0.00 H new ATOM 0 HA SER A 38 11.026 1.030 -14.586 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.473 -0.944 -14.085 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.772 -0.334 -12.470 1.00 0.00 H new ATOM 0 HG SER A 38 11.045 -1.969 -12.659 1.00 0.00 H new ATOM 549 N HIS A 39 9.749 1.919 -12.588 1.00 0.00 N ATOM 550 CA HIS A 39 8.944 2.650 -11.579 1.00 0.00 C ATOM 551 C HIS A 39 7.540 1.986 -11.466 1.00 0.00 C ATOM 552 O HIS A 39 6.504 2.655 -11.354 1.00 0.00 O ATOM 553 CB HIS A 39 8.850 4.140 -12.012 1.00 0.00 C ATOM 554 CG HIS A 39 8.309 5.088 -10.981 1.00 0.00 C ATOM 555 ND1 HIS A 39 7.493 6.150 -11.296 1.00 0.00 N ATOM 556 CD2 HIS A 39 8.535 5.177 -9.649 1.00 0.00 C ATOM 557 CE1 HIS A 39 7.247 6.853 -10.216 1.00 0.00 C ATOM 558 NE2 HIS A 39 7.865 6.285 -9.199 1.00 0.00 N ATOM 0 H HIS A 39 9.178 1.431 -13.279 1.00 0.00 H new ATOM 0 HA HIS A 39 9.410 2.606 -10.595 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.845 4.478 -12.302 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.221 4.202 -12.900 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.134 6.359 -12.228 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.131 4.502 -9.053 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.641 7.746 -10.168 1.00 0.00 H new ATOM 567 N THR A 40 7.535 0.644 -11.449 1.00 0.00 N ATOM 568 CA THR A 40 6.300 -0.168 -11.510 1.00 0.00 C ATOM 569 C THR A 40 5.801 -0.539 -10.089 1.00 0.00 C ATOM 570 O THR A 40 6.360 -1.422 -9.419 1.00 0.00 O ATOM 571 CB THR A 40 6.548 -1.476 -12.347 1.00 0.00 C ATOM 572 OG1 THR A 40 7.645 -2.211 -11.786 1.00 0.00 O ATOM 573 CG2 THR A 40 6.875 -1.182 -13.819 1.00 0.00 C ATOM 0 H THR A 40 8.387 0.086 -11.393 1.00 0.00 H new ATOM 0 HA THR A 40 5.531 0.431 -11.998 1.00 0.00 H new ATOM 0 HB THR A 40 5.624 -2.052 -12.308 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.195 -2.579 -12.508 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.037 -2.120 -14.350 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.044 -0.645 -14.276 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.777 -0.572 -13.877 1.00 0.00 H new ATOM 581 N VAL A 41 4.757 0.181 -9.620 1.00 0.00 N ATOM 582 CA VAL A 41 4.094 -0.092 -8.324 1.00 0.00 C ATOM 583 C VAL A 41 2.579 -0.329 -8.540 1.00 0.00 C ATOM 584 O VAL A 41 1.816 0.625 -8.754 1.00 0.00 O ATOM 585 CB VAL A 41 4.279 1.082 -7.284 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.701 0.672 -5.898 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.758 1.543 -7.172 1.00 0.00 C ATOM 0 H VAL A 41 4.351 0.967 -10.128 1.00 0.00 H new ATOM 0 HA VAL A 41 4.570 -0.983 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 41 3.718 1.941 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.835 1.491 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.639 0.450 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.224 -0.212 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.833 2.351 -6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.377 0.706 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.104 1.896 -8.144 1.00 0.00 H new ATOM 597 N CYS A 42 2.152 -1.599 -8.489 1.00 0.00 N ATOM 598 CA CYS A 42 0.724 -1.975 -8.532 1.00 0.00 C ATOM 599 C CYS A 42 0.333 -2.595 -7.179 1.00 0.00 C ATOM 600 O CYS A 42 0.711 -3.724 -6.859 1.00 0.00 O ATOM 601 CB CYS A 42 0.449 -2.938 -9.709 1.00 0.00 C ATOM 602 SG CYS A 42 0.840 -2.241 -11.333 1.00 0.00 S ATOM 0 H CYS A 42 2.783 -2.397 -8.417 1.00 0.00 H new ATOM 0 HA CYS A 42 0.111 -1.090 -8.700 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.032 -3.848 -9.565 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.602 -3.227 -9.692 1.00 0.00 H new ATOM 0 HG CYS A 42 0.580 -3.119 -12.256 1.00 0.00 H new ATOM 608 N ALA A 43 -0.449 -1.841 -6.403 1.00 0.00 N ATOM 609 CA ALA A 43 -0.721 -2.123 -4.982 1.00 0.00 C ATOM 610 C ALA A 43 -2.181 -1.781 -4.666 1.00 0.00 C ATOM 611 O ALA A 43 -2.781 -0.935 -5.343 1.00 0.00 O ATOM 612 CB ALA A 43 0.253 -1.327 -4.087 1.00 0.00 C ATOM 0 H ALA A 43 -0.921 -1.004 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.565 -3.182 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.043 -1.543 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.278 -1.615 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.126 -0.260 -4.270 1.00 0.00 H new ATOM 618 N GLU A 44 -2.775 -2.449 -3.667 1.00 0.00 N ATOM 619 CA GLU A 44 -4.199 -2.254 -3.344 1.00 0.00 C ATOM 620 C GLU A 44 -4.401 -1.813 -1.881 1.00 0.00 C ATOM 621 O GLU A 44 -3.903 -2.459 -0.953 1.00 0.00 O ATOM 622 CB GLU A 44 -4.995 -3.546 -3.630 1.00 0.00 C ATOM 623 CG GLU A 44 -6.499 -3.305 -3.731 1.00 0.00 C ATOM 624 CD GLU A 44 -7.302 -4.570 -4.062 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.419 -4.909 -5.252 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.804 -5.235 -3.136 1.00 0.00 O ATOM 0 H GLU A 44 -2.297 -3.125 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.574 -1.454 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.639 -3.988 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.800 -4.270 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.857 -2.894 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.688 -2.554 -4.498 1.00 0.00 H new ATOM 633 N MET A 45 -5.131 -0.694 -1.700 1.00 0.00 N ATOM 634 CA MET A 45 -5.554 -0.199 -0.374 1.00 0.00 C ATOM 635 C MET A 45 -7.101 -0.143 -0.312 1.00 0.00 C ATOM 636 O MET A 45 -7.731 0.350 -1.247 1.00 0.00 O ATOM 637 CB MET A 45 -4.948 1.205 -0.076 1.00 0.00 C ATOM 638 CG MET A 45 -3.453 1.372 -0.411 1.00 0.00 C ATOM 639 SD MET A 45 -2.716 2.829 0.372 1.00 0.00 S ATOM 640 CE MET A 45 -3.852 4.139 -0.093 1.00 0.00 C ATOM 0 H MET A 45 -5.445 -0.106 -2.472 1.00 0.00 H new ATOM 0 HA MET A 45 -5.185 -0.887 0.387 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.513 1.950 -0.636 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.091 1.425 0.982 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.912 0.481 -0.092 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.334 1.447 -1.492 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.307 5.078 -0.183 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.316 3.896 -1.049 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.624 4.239 0.670 1.00 0.00 H new ATOM 650 N THR A 46 -7.703 -0.593 0.813 1.00 0.00 N ATOM 651 CA THR A 46 -9.192 -0.749 0.938 1.00 0.00 C ATOM 652 C THR A 46 -9.831 0.445 1.664 1.00 0.00 C ATOM 653 O THR A 46 -9.151 1.159 2.411 1.00 0.00 O ATOM 654 CB THR A 46 -9.606 -2.081 1.669 1.00 0.00 C ATOM 655 OG1 THR A 46 -11.038 -2.159 1.814 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.951 -2.230 3.051 1.00 0.00 C ATOM 0 H THR A 46 -7.190 -0.858 1.654 1.00 0.00 H new ATOM 0 HA THR A 46 -9.566 -0.791 -0.085 1.00 0.00 H new ATOM 0 HB THR A 46 -9.249 -2.896 1.040 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.276 -2.994 2.269 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.273 -3.166 3.507 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.867 -2.234 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.248 -1.396 3.686 1.00 0.00 H new ATOM 664 N GLU A 47 -11.164 0.604 1.475 1.00 0.00 N ATOM 665 CA GLU A 47 -11.940 1.780 1.937 1.00 0.00 C ATOM 666 C GLU A 47 -11.750 2.076 3.429 1.00 0.00 C ATOM 667 O GLU A 47 -11.700 3.235 3.823 1.00 0.00 O ATOM 668 CB GLU A 47 -13.451 1.597 1.634 1.00 0.00 C ATOM 669 CG GLU A 47 -14.275 2.897 1.776 1.00 0.00 C ATOM 670 CD GLU A 47 -15.781 2.696 1.550 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.193 2.504 0.386 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.566 2.740 2.523 1.00 0.00 O ATOM 0 H GLU A 47 -11.736 -0.089 0.992 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.552 2.634 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.565 1.214 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.859 0.843 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.117 3.311 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.904 3.633 1.063 1.00 0.00 H new ATOM 679 N GLU A 48 -11.606 1.011 4.229 1.00 0.00 N ATOM 680 CA GLU A 48 -11.458 1.115 5.703 1.00 0.00 C ATOM 681 C GLU A 48 -10.273 2.046 6.066 1.00 0.00 C ATOM 682 O GLU A 48 -10.367 2.928 6.924 1.00 0.00 O ATOM 683 CB GLU A 48 -11.223 -0.300 6.332 1.00 0.00 C ATOM 684 CG GLU A 48 -12.054 -1.456 5.718 1.00 0.00 C ATOM 685 CD GLU A 48 -13.567 -1.180 5.686 1.00 0.00 C ATOM 686 OE1 GLU A 48 -14.205 -1.204 6.760 1.00 0.00 O ATOM 687 OE2 GLU A 48 -14.119 -0.937 4.589 1.00 0.00 O ATOM 0 H GLU A 48 -11.588 0.052 3.882 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.379 1.536 6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.166 -0.548 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.444 -0.245 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.706 -1.642 4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.872 -2.366 6.289 1.00 0.00 H new ATOM 694 N PHE A 49 -9.159 1.803 5.376 1.00 0.00 N ATOM 695 CA PHE A 49 -7.882 2.510 5.564 1.00 0.00 C ATOM 696 C PHE A 49 -7.850 3.895 4.869 1.00 0.00 C ATOM 697 O PHE A 49 -7.243 4.833 5.398 1.00 0.00 O ATOM 698 CB PHE A 49 -6.745 1.578 5.083 1.00 0.00 C ATOM 699 CG PHE A 49 -6.600 0.341 5.976 1.00 0.00 C ATOM 700 CD1 PHE A 49 -7.443 -0.755 5.822 1.00 0.00 C ATOM 701 CD2 PHE A 49 -5.657 0.297 6.988 1.00 0.00 C ATOM 702 CE1 PHE A 49 -7.336 -1.863 6.641 1.00 0.00 C ATOM 703 CE2 PHE A 49 -5.549 -0.809 7.816 1.00 0.00 C ATOM 704 CZ PHE A 49 -6.390 -1.887 7.642 1.00 0.00 C ATOM 0 H PHE A 49 -9.114 1.089 4.649 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.748 2.736 6.622 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.943 1.264 4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.805 2.129 5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.196 -0.740 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.995 1.138 7.135 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.993 -2.708 6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.805 -0.826 8.599 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.308 -2.748 8.289 1.00 0.00 H new ATOM 714 N LEU A 50 -8.494 4.020 3.683 1.00 0.00 N ATOM 715 CA LEU A 50 -8.553 5.322 2.952 1.00 0.00 C ATOM 716 C LEU A 50 -9.425 6.357 3.702 1.00 0.00 C ATOM 717 O LEU A 50 -9.103 7.545 3.707 1.00 0.00 O ATOM 718 CB LEU A 50 -9.063 5.170 1.483 1.00 0.00 C ATOM 719 CG LEU A 50 -8.035 4.670 0.428 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.575 3.253 0.732 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.598 4.791 -1.012 1.00 0.00 C ATOM 0 H LEU A 50 -8.974 3.252 3.214 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.526 5.684 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.907 4.481 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.443 6.137 1.154 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.159 5.316 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.857 2.933 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.104 3.226 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.434 2.582 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.855 4.433 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.504 4.191 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.832 5.834 -1.225 1.00 0.00 H new ATOM 733 N LEU A 51 -10.526 5.881 4.327 1.00 0.00 N ATOM 734 CA LEU A 51 -11.440 6.732 5.129 1.00 0.00 C ATOM 735 C LEU A 51 -10.727 7.321 6.370 1.00 0.00 C ATOM 736 O LEU A 51 -11.050 8.425 6.803 1.00 0.00 O ATOM 737 CB LEU A 51 -12.718 5.948 5.548 1.00 0.00 C ATOM 738 CG LEU A 51 -13.710 5.554 4.408 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.950 4.832 4.982 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.112 6.777 3.548 1.00 0.00 C ATOM 0 H LEU A 51 -10.807 4.901 4.291 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.745 7.564 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.405 5.036 6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.261 6.549 6.278 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.193 4.858 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.626 4.568 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.636 3.927 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.464 5.492 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.803 6.461 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.595 7.523 4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.221 7.210 3.092 1.00 0.00 H new ATOM 752 N PHE A 52 -9.754 6.572 6.929 1.00 0.00 N ATOM 753 CA PHE A 52 -8.870 7.083 8.004 1.00 0.00 C ATOM 754 C PHE A 52 -8.038 8.299 7.506 1.00 0.00 C ATOM 755 O PHE A 52 -7.950 9.324 8.187 1.00 0.00 O ATOM 756 CB PHE A 52 -7.928 5.957 8.517 1.00 0.00 C ATOM 757 CG PHE A 52 -6.941 6.417 9.600 1.00 0.00 C ATOM 758 CD1 PHE A 52 -7.383 6.693 10.897 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.578 6.586 9.322 1.00 0.00 C ATOM 760 CE1 PHE A 52 -6.503 7.128 11.873 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.703 7.018 10.305 1.00 0.00 C ATOM 762 CZ PHE A 52 -5.163 7.286 11.579 1.00 0.00 C ATOM 0 H PHE A 52 -9.558 5.609 6.655 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.499 7.414 8.830 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.534 5.142 8.914 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.366 5.555 7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.427 6.565 11.141 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.206 6.377 8.330 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.865 7.344 12.867 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.656 7.146 10.074 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.477 7.618 12.344 1.00 0.00 H new ATOM 772 N SER A 53 -7.442 8.156 6.305 1.00 0.00 N ATOM 773 CA SER A 53 -6.579 9.197 5.695 1.00 0.00 C ATOM 774 C SER A 53 -7.348 10.512 5.417 1.00 0.00 C ATOM 775 O SER A 53 -6.889 11.588 5.799 1.00 0.00 O ATOM 776 CB SER A 53 -5.942 8.671 4.388 1.00 0.00 C ATOM 777 OG SER A 53 -5.186 7.489 4.619 1.00 0.00 O ATOM 0 H SER A 53 -7.543 7.320 5.729 1.00 0.00 H new ATOM 0 HA SER A 53 -5.795 9.424 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.724 8.468 3.656 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.298 9.439 3.961 1.00 0.00 H new ATOM 0 HG SER A 53 -4.797 7.179 3.775 1.00 0.00 H new ATOM 783 N ARG A 54 -8.531 10.414 4.769 1.00 0.00 N ATOM 784 CA ARG A 54 -9.352 11.608 4.415 1.00 0.00 C ATOM 785 C ARG A 54 -10.116 12.196 5.634 1.00 0.00 C ATOM 786 O ARG A 54 -9.932 13.373 5.975 1.00 0.00 O ATOM 787 CB ARG A 54 -10.327 11.324 3.219 1.00 0.00 C ATOM 788 CG ARG A 54 -11.071 9.967 3.269 1.00 0.00 C ATOM 789 CD ARG A 54 -12.289 9.895 2.327 1.00 0.00 C ATOM 790 NE ARG A 54 -13.445 10.594 2.909 1.00 0.00 N ATOM 791 CZ ARG A 54 -14.558 10.897 2.289 1.00 0.00 C ATOM 792 NH1 ARG A 54 -14.703 10.708 1.018 1.00 0.00 N ATOM 793 NH2 ARG A 54 -15.529 11.399 2.972 1.00 0.00 N ATOM 0 H ARG A 54 -8.942 9.527 4.479 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.643 12.368 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.068 12.123 3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.758 11.372 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.374 9.170 3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.401 9.781 4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.036 10.340 1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.547 8.853 2.138 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.373 10.869 3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.938 10.313 0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.582 10.954 0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.421 11.553 3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.405 11.643 2.510 1.00 0.00 H new ATOM 807 N ASP A 55 -10.946 11.372 6.308 1.00 0.00 N ATOM 808 CA ASP A 55 -11.868 11.855 7.372 1.00 0.00 C ATOM 809 C ASP A 55 -11.153 12.137 8.721 1.00 0.00 C ATOM 810 O ASP A 55 -11.777 12.669 9.646 1.00 0.00 O ATOM 811 CB ASP A 55 -13.029 10.847 7.580 1.00 0.00 C ATOM 812 CG ASP A 55 -13.805 10.572 6.284 1.00 0.00 C ATOM 813 OD1 ASP A 55 -14.508 11.481 5.792 1.00 0.00 O ATOM 814 OD2 ASP A 55 -13.708 9.458 5.732 1.00 0.00 O ATOM 0 H ASP A 55 -11.001 10.368 6.138 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.267 12.808 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.628 9.910 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.713 11.236 8.334 1.00 0.00 H new ATOM 819 N ARG A 56 -9.854 11.785 8.841 1.00 0.00 N ATOM 820 CA ARG A 56 -9.065 12.063 10.072 1.00 0.00 C ATOM 821 C ARG A 56 -7.667 12.667 9.742 1.00 0.00 C ATOM 822 O ARG A 56 -6.774 12.699 10.600 1.00 0.00 O ATOM 823 CB ARG A 56 -8.941 10.758 10.936 1.00 0.00 C ATOM 824 CG ARG A 56 -8.818 11.004 12.467 1.00 0.00 C ATOM 825 CD ARG A 56 -10.189 11.165 13.190 1.00 0.00 C ATOM 826 NE ARG A 56 -11.134 12.082 12.505 1.00 0.00 N ATOM 827 CZ ARG A 56 -11.881 13.002 13.076 1.00 0.00 C ATOM 828 NH1 ARG A 56 -11.821 13.237 14.346 1.00 0.00 N ATOM 829 NH2 ARG A 56 -12.699 13.684 12.351 1.00 0.00 N ATOM 0 H ARG A 56 -9.328 11.310 8.107 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.597 12.815 10.655 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.813 10.131 10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.069 10.197 10.600 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.276 10.172 12.917 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.222 11.901 12.635 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.655 10.184 13.283 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.013 11.532 14.201 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.212 11.990 11.492 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.182 12.702 14.934 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.413 13.957 14.760 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.761 13.507 11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.285 14.401 12.780 1.00 0.00 H new ATOM 843 N GLY A 57 -7.495 13.191 8.507 1.00 0.00 N ATOM 844 CA GLY A 57 -6.211 13.789 8.091 1.00 0.00 C ATOM 845 C GLY A 57 -6.337 14.748 6.897 1.00 0.00 C ATOM 846 O GLY A 57 -6.820 15.879 7.046 1.00 0.00 O ATOM 0 H GLY A 57 -8.221 13.211 7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.780 14.328 8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.515 12.991 7.833 1.00 0.00 H new ATOM 850 N ASN A 58 -5.917 14.283 5.702 1.00 0.00 N ATOM 851 CA ASN A 58 -5.865 15.097 4.458 1.00 0.00 C ATOM 852 C ASN A 58 -6.567 14.378 3.277 1.00 0.00 C ATOM 853 O ASN A 58 -6.779 13.165 3.316 1.00 0.00 O ATOM 854 CB ASN A 58 -4.383 15.419 4.100 1.00 0.00 C ATOM 855 CG ASN A 58 -3.524 14.178 3.798 1.00 0.00 C ATOM 856 OD1 ASN A 58 -3.724 13.100 4.355 1.00 0.00 O ATOM 857 ND2 ASN A 58 -2.560 14.321 2.911 1.00 0.00 N ATOM 0 H ASN A 58 -5.600 13.323 5.567 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.402 16.029 4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.365 16.079 3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.932 15.967 4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.963 13.529 2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.411 15.224 2.461 1.00 0.00 H new ATOM 864 N ASP A 59 -6.895 15.145 2.216 1.00 0.00 N ATOM 865 CA ASP A 59 -7.588 14.623 1.013 1.00 0.00 C ATOM 866 C ASP A 59 -6.725 13.569 0.264 1.00 0.00 C ATOM 867 O ASP A 59 -5.524 13.766 0.050 1.00 0.00 O ATOM 868 CB ASP A 59 -7.983 15.799 0.071 1.00 0.00 C ATOM 869 CG ASP A 59 -6.787 16.664 -0.368 1.00 0.00 C ATOM 870 OD1 ASP A 59 -6.301 17.480 0.451 1.00 0.00 O ATOM 871 OD2 ASP A 59 -6.318 16.533 -1.522 1.00 0.00 O ATOM 0 H ASP A 59 -6.688 16.143 2.166 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.496 14.116 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.474 15.395 -0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.711 16.431 0.578 1.00 0.00 H new ATOM 876 N LEU A 60 -7.359 12.448 -0.128 1.00 0.00 N ATOM 877 CA LEU A 60 -6.673 11.308 -0.789 1.00 0.00 C ATOM 878 C LEU A 60 -7.578 10.677 -1.875 1.00 0.00 C ATOM 879 O LEU A 60 -7.120 10.350 -2.975 1.00 0.00 O ATOM 880 CB LEU A 60 -6.268 10.236 0.267 1.00 0.00 C ATOM 881 CG LEU A 60 -5.446 9.016 -0.274 1.00 0.00 C ATOM 882 CD1 LEU A 60 -4.101 9.472 -0.884 1.00 0.00 C ATOM 883 CD2 LEU A 60 -5.235 7.945 0.824 1.00 0.00 C ATOM 0 H LEU A 60 -8.360 12.301 0.002 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.771 11.684 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.684 10.725 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.175 9.858 0.738 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.029 8.555 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.554 8.603 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.290 10.157 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.509 9.978 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.662 7.113 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.692 8.384 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.203 7.583 1.170 1.00 0.00 H new ATOM 895 N MET A 61 -8.864 10.489 -1.539 1.00 0.00 N ATOM 896 CA MET A 61 -9.873 9.933 -2.470 1.00 0.00 C ATOM 897 C MET A 61 -10.639 11.090 -3.168 1.00 0.00 C ATOM 898 O MET A 61 -11.732 11.485 -2.743 1.00 0.00 O ATOM 899 CB MET A 61 -10.840 8.998 -1.685 1.00 0.00 C ATOM 900 CG MET A 61 -11.795 8.162 -2.554 1.00 0.00 C ATOM 901 SD MET A 61 -13.062 7.318 -1.572 1.00 0.00 S ATOM 902 CE MET A 61 -12.085 6.356 -0.416 1.00 0.00 C ATOM 0 H MET A 61 -9.238 10.716 -0.618 1.00 0.00 H new ATOM 0 HA MET A 61 -9.382 9.344 -3.245 1.00 0.00 H new ATOM 0 HB2 MET A 61 -10.246 8.320 -1.072 1.00 0.00 H new ATOM 0 HB3 MET A 61 -11.434 9.607 -1.003 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.278 8.810 -3.285 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.221 7.423 -3.113 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.712 5.591 0.042 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.260 5.879 -0.945 1.00 0.00 H new ATOM 0 HE3 MET A 61 -11.688 7.012 0.359 1.00 0.00 H new ATOM 912 N THR A 62 -10.013 11.674 -4.209 1.00 0.00 N ATOM 913 CA THR A 62 -10.566 12.838 -4.959 1.00 0.00 C ATOM 914 C THR A 62 -10.418 12.642 -6.497 1.00 0.00 C ATOM 915 O THR A 62 -9.403 12.102 -6.952 1.00 0.00 O ATOM 916 CB THR A 62 -9.863 14.190 -4.540 1.00 0.00 C ATOM 917 OG1 THR A 62 -8.435 14.075 -4.681 1.00 0.00 O ATOM 918 CG2 THR A 62 -10.200 14.607 -3.093 1.00 0.00 C ATOM 0 H THR A 62 -9.109 11.358 -4.560 1.00 0.00 H new ATOM 0 HA THR A 62 -11.624 12.897 -4.704 1.00 0.00 H new ATOM 0 HB THR A 62 -10.245 14.963 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.011 14.919 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.692 15.542 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.277 14.745 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.870 13.830 -2.404 1.00 0.00 H new ATOM 926 N PRO A 63 -11.457 13.052 -7.321 1.00 0.00 N ATOM 927 CA PRO A 63 -11.381 13.033 -8.821 1.00 0.00 C ATOM 928 C PRO A 63 -10.175 13.825 -9.401 1.00 0.00 C ATOM 929 O PRO A 63 -9.447 13.313 -10.260 1.00 0.00 O ATOM 930 CB PRO A 63 -12.725 13.683 -9.256 1.00 0.00 C ATOM 931 CG PRO A 63 -13.657 13.417 -8.110 1.00 0.00 C ATOM 932 CD PRO A 63 -12.804 13.509 -6.861 1.00 0.00 C ATOM 0 HA PRO A 63 -11.231 12.020 -9.194 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.610 14.752 -9.434 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.098 13.244 -10.181 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.467 14.146 -8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.117 12.433 -8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.771 14.527 -6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.192 12.875 -6.063 1.00 0.00 H new ATOM 940 N ARG A 64 -9.982 15.068 -8.890 1.00 0.00 N ATOM 941 CA ARG A 64 -8.917 16.015 -9.330 1.00 0.00 C ATOM 942 C ARG A 64 -9.107 16.466 -10.817 1.00 0.00 C ATOM 943 O ARG A 64 -8.451 15.934 -11.716 1.00 0.00 O ATOM 944 CB ARG A 64 -7.486 15.426 -9.115 1.00 0.00 C ATOM 945 CG ARG A 64 -7.205 14.910 -7.686 1.00 0.00 C ATOM 946 CD ARG A 64 -5.849 14.190 -7.573 1.00 0.00 C ATOM 947 NE ARG A 64 -5.669 13.539 -6.261 1.00 0.00 N ATOM 948 CZ ARG A 64 -5.972 12.284 -5.979 1.00 0.00 C ATOM 949 NH1 ARG A 64 -6.497 11.487 -6.864 1.00 0.00 N ATOM 950 NH2 ARG A 64 -5.742 11.839 -4.793 1.00 0.00 N ATOM 0 H ARG A 64 -10.570 15.449 -8.149 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.015 16.898 -8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.336 14.606 -9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.752 16.194 -9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.226 15.749 -6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.001 14.228 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.771 13.441 -8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.044 14.908 -7.734 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.278 14.105 -5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.686 11.826 -7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.719 10.523 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.332 12.453 -4.089 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.970 10.873 -4.558 1.00 0.00 H new ATOM 964 N PRO A 65 -10.008 17.465 -11.098 1.00 0.00 N ATOM 965 CA PRO A 65 -10.275 17.948 -12.491 1.00 0.00 C ATOM 966 C PRO A 65 -9.119 18.819 -13.065 1.00 0.00 C ATOM 967 O PRO A 65 -9.076 19.099 -14.269 1.00 0.00 O ATOM 968 CB PRO A 65 -11.578 18.769 -12.326 1.00 0.00 C ATOM 969 CG PRO A 65 -11.501 19.299 -10.921 1.00 0.00 C ATOM 970 CD PRO A 65 -10.831 18.207 -10.098 1.00 0.00 C ATOM 0 HA PRO A 65 -10.360 17.128 -13.204 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.635 19.578 -13.055 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.462 18.148 -12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.926 20.224 -10.884 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.495 19.525 -10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.214 18.626 -9.303 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.565 17.557 -9.622 1.00 0.00 H new ATOM 978 N GLU A 66 -8.195 19.241 -12.177 1.00 0.00 N ATOM 979 CA GLU A 66 -6.997 20.028 -12.544 1.00 0.00 C ATOM 980 C GLU A 66 -5.938 19.152 -13.255 1.00 0.00 C ATOM 981 O GLU A 66 -5.144 19.652 -14.056 1.00 0.00 O ATOM 982 CB GLU A 66 -6.393 20.686 -11.270 1.00 0.00 C ATOM 983 CG GLU A 66 -7.377 21.579 -10.477 1.00 0.00 C ATOM 984 CD GLU A 66 -7.941 22.753 -11.306 1.00 0.00 C ATOM 985 OE1 GLU A 66 -7.267 23.801 -11.399 1.00 0.00 O ATOM 986 OE2 GLU A 66 -9.046 22.621 -11.884 1.00 0.00 O ATOM 0 H GLU A 66 -8.259 19.044 -11.178 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.300 20.806 -13.244 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.025 19.900 -10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.532 21.287 -11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.204 20.966 -10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.869 21.975 -9.598 1.00 0.00 H new ATOM 993 N PHE A 67 -5.935 17.838 -12.937 1.00 0.00 N ATOM 994 CA PHE A 67 -4.997 16.846 -13.508 1.00 0.00 C ATOM 995 C PHE A 67 -5.750 15.529 -13.800 1.00 0.00 C ATOM 996 O PHE A 67 -6.088 14.778 -12.879 1.00 0.00 O ATOM 997 CB PHE A 67 -3.799 16.577 -12.545 1.00 0.00 C ATOM 998 CG PHE A 67 -2.896 17.794 -12.323 1.00 0.00 C ATOM 999 CD1 PHE A 67 -1.969 18.179 -13.297 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -2.985 18.563 -11.158 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -1.167 19.292 -13.115 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -2.179 19.674 -10.979 1.00 0.00 C ATOM 1003 CZ PHE A 67 -1.270 20.037 -11.955 1.00 0.00 C ATOM 0 H PHE A 67 -6.591 17.432 -12.269 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.594 17.250 -14.436 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.187 16.244 -11.582 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.199 15.760 -12.946 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.878 17.600 -14.204 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.691 18.287 -10.389 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.460 19.579 -13.880 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.261 20.259 -10.075 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.640 20.903 -11.811 1.00 0.00 H new ATOM 1013 N ASN A 68 -6.010 15.274 -15.091 1.00 0.00 N ATOM 1014 CA ASN A 68 -6.720 14.057 -15.581 1.00 0.00 C ATOM 1015 C ASN A 68 -5.791 12.803 -15.656 1.00 0.00 C ATOM 1016 O ASN A 68 -5.850 12.023 -16.619 1.00 0.00 O ATOM 1017 CB ASN A 68 -7.371 14.369 -16.964 1.00 0.00 C ATOM 1018 CG ASN A 68 -6.389 14.960 -17.986 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -6.242 16.175 -18.088 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -5.701 14.114 -18.730 1.00 0.00 N ATOM 0 H ASN A 68 -5.735 15.907 -15.842 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.497 13.803 -14.860 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.798 13.452 -17.371 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.195 15.067 -16.819 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.027 14.465 -19.411 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.843 13.110 -18.624 1.00 0.00 H new ATOM 1027 N PHE A 69 -4.961 12.592 -14.610 1.00 0.00 N ATOM 1028 CA PHE A 69 -3.973 11.479 -14.555 1.00 0.00 C ATOM 1029 C PHE A 69 -4.044 10.709 -13.184 1.00 0.00 C ATOM 1030 O PHE A 69 -4.239 9.484 -13.197 1.00 0.00 O ATOM 1031 CB PHE A 69 -2.524 11.992 -14.852 1.00 0.00 C ATOM 1032 CG PHE A 69 -2.390 12.796 -16.150 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -2.238 12.154 -17.381 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -2.421 14.197 -16.136 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -2.127 12.883 -18.554 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -2.309 14.922 -17.309 1.00 0.00 C ATOM 1037 CZ PHE A 69 -2.157 14.266 -18.516 1.00 0.00 C ATOM 0 H PHE A 69 -4.953 13.184 -13.780 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.237 10.768 -15.338 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.194 12.613 -14.019 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.851 11.136 -14.898 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.207 11.075 -17.419 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.534 14.718 -15.197 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.017 12.371 -19.499 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.340 16.001 -17.282 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.062 14.833 -19.430 1.00 0.00 H new ATOM 1047 N PRO A 70 -3.890 11.374 -11.967 1.00 0.00 N ATOM 1048 CA PRO A 70 -3.989 10.664 -10.666 1.00 0.00 C ATOM 1049 C PRO A 70 -5.445 10.620 -10.096 1.00 0.00 C ATOM 1050 O PRO A 70 -6.035 11.656 -9.759 1.00 0.00 O ATOM 1051 CB PRO A 70 -3.033 11.489 -9.766 1.00 0.00 C ATOM 1052 CG PRO A 70 -3.132 12.907 -10.281 1.00 0.00 C ATOM 1053 CD PRO A 70 -3.605 12.825 -11.734 1.00 0.00 C ATOM 0 HA PRO A 70 -3.723 9.610 -10.740 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.328 11.429 -8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.011 11.116 -9.831 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.832 13.487 -9.680 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.166 13.408 -10.218 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.495 13.433 -11.894 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.841 13.192 -12.419 1.00 0.00 H new ATOM 1061 N GLY A 71 -6.016 9.404 -10.006 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.362 9.197 -9.445 1.00 0.00 C ATOM 1063 C GLY A 71 -7.367 8.118 -8.359 1.00 0.00 C ATOM 1064 O GLY A 71 -7.197 8.435 -7.171 1.00 0.00 O ATOM 0 H GLY A 71 -5.561 8.546 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.730 10.134 -9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.048 8.913 -10.243 1.00 0.00 H new ATOM 1068 N LEU A 72 -7.517 6.839 -8.800 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.609 5.624 -7.929 1.00 0.00 C ATOM 1070 C LEU A 72 -8.872 5.621 -7.019 1.00 0.00 C ATOM 1071 O LEU A 72 -9.365 6.665 -6.582 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.317 5.378 -7.069 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.010 4.939 -7.824 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.235 3.643 -8.630 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -4.430 6.071 -8.705 1.00 0.00 C ATOM 0 H LEU A 72 -7.579 6.614 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.701 4.794 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.097 6.296 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.548 4.614 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.260 4.726 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.312 3.367 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.530 2.841 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.022 3.805 -9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.528 5.717 -9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.167 6.365 -9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.185 6.930 -8.080 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.393 4.411 -6.749 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.559 4.199 -5.857 1.00 0.00 C ATOM 1089 C LYS A 73 -10.196 3.193 -4.731 1.00 0.00 C ATOM 1090 O LYS A 73 -9.078 2.658 -4.693 1.00 0.00 O ATOM 1091 CB LYS A 73 -11.787 3.716 -6.693 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.284 4.717 -7.772 1.00 0.00 C ATOM 1093 CD LYS A 73 -12.877 6.021 -7.170 1.00 0.00 C ATOM 1094 CE LYS A 73 -14.203 5.784 -6.422 1.00 0.00 C ATOM 1095 NZ LYS A 73 -14.688 7.004 -5.727 1.00 0.00 N ATOM 0 H LYS A 73 -9.020 3.547 -7.142 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.830 5.141 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.527 2.777 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.610 3.503 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.454 4.973 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.041 4.231 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.153 6.462 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.040 6.743 -7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.961 5.447 -7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.068 4.984 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.582 6.793 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.979 7.313 -5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.843 7.761 -6.423 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.146 2.944 -3.818 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.913 2.117 -2.615 1.00 0.00 C ATOM 1111 C ALA A 74 -11.042 0.600 -2.908 1.00 0.00 C ATOM 1112 O ALA A 74 -12.148 0.074 -3.076 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.877 2.558 -1.515 1.00 0.00 C ATOM 0 H ALA A 74 -12.097 3.307 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.886 2.270 -2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.713 1.953 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.704 3.608 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.904 2.428 -1.857 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.890 -0.086 -2.955 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.815 -1.523 -3.278 1.00 0.00 C ATOM 1121 C GLY A 75 -9.541 -1.763 -4.765 1.00 0.00 C ATOM 1122 O GLY A 75 -10.077 -2.697 -5.374 1.00 0.00 O ATOM 0 H GLY A 75 -8.981 0.339 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.027 -1.987 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.751 -2.007 -2.999 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.672 -0.907 -5.338 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.319 -0.912 -6.773 1.00 0.00 C ATOM 1128 C ASP A 76 -6.790 -1.084 -6.960 1.00 0.00 C ATOM 1129 O ASP A 76 -6.008 -0.166 -6.670 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.831 0.405 -7.423 1.00 0.00 C ATOM 1131 CG ASP A 76 -10.367 0.419 -7.590 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -11.086 0.486 -6.572 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.855 0.344 -8.731 1.00 0.00 O ATOM 0 H ASP A 76 -8.188 -0.181 -4.809 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.797 -1.757 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.527 1.253 -6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.361 0.533 -8.398 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.375 -2.283 -7.424 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.952 -2.607 -7.660 1.00 0.00 C ATOM 1140 C ARG A 77 -4.477 -2.112 -9.056 1.00 0.00 C ATOM 1141 O ARG A 77 -4.571 -2.815 -10.067 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.708 -4.137 -7.458 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.701 -5.079 -8.195 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.571 -6.551 -7.745 1.00 0.00 C ATOM 1145 NE ARG A 77 -6.660 -7.402 -8.268 1.00 0.00 N ATOM 1146 CZ ARG A 77 -7.689 -7.847 -7.569 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -7.871 -7.503 -6.332 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -8.556 -8.619 -8.130 1.00 0.00 N ATOM 0 H ARG A 77 -7.012 -3.048 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.348 -2.074 -6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.697 -4.372 -7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.752 -4.356 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.720 -4.737 -8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.527 -5.015 -9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.612 -6.947 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.571 -6.596 -6.656 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.613 -7.668 -9.252 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.211 -6.874 -5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.674 -7.862 -5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.446 -8.883 -9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.352 -8.965 -7.595 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.982 -0.865 -9.069 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.379 -0.191 -10.254 1.00 0.00 C ATOM 1164 C TRP A 78 -2.117 0.582 -9.801 1.00 0.00 C ATOM 1165 O TRP A 78 -1.566 0.289 -8.732 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.392 0.786 -10.929 1.00 0.00 C ATOM 1167 CG TRP A 78 -5.554 0.128 -11.638 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -5.501 -0.948 -12.484 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -6.931 0.535 -11.601 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -6.757 -1.249 -12.938 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -7.650 -0.354 -12.416 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -7.622 1.562 -10.948 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -9.023 -0.253 -12.600 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -8.987 1.664 -11.131 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -9.677 0.759 -11.951 1.00 0.00 C ATOM 0 H TRP A 78 -3.985 -0.272 -8.239 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.111 -0.948 -10.991 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.787 1.457 -10.166 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -3.852 1.403 -11.648 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.601 -1.481 -12.753 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -6.990 -2.018 -13.566 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.098 2.261 -10.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -9.555 -0.948 -13.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -9.532 2.453 -10.635 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.745 0.863 -12.073 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.631 1.519 -10.651 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.570 2.493 -10.291 1.00 0.00 C ATOM 1188 C CYS A 79 -0.966 3.319 -9.032 1.00 0.00 C ATOM 1189 O CYS A 79 -1.476 4.437 -9.115 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.270 3.425 -11.492 1.00 0.00 C ATOM 1191 SG CYS A 79 -1.705 4.358 -12.092 1.00 0.00 S ATOM 0 H CYS A 79 -1.965 1.621 -11.609 1.00 0.00 H new ATOM 0 HA CYS A 79 0.335 1.937 -10.047 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.511 4.129 -11.204 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.127 2.826 -12.311 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.366 4.835 -11.080 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.753 2.697 -7.867 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.124 3.233 -6.543 1.00 0.00 C ATOM 1199 C LEU A 80 -0.006 4.164 -6.013 1.00 0.00 C ATOM 1200 O LEU A 80 -0.279 5.087 -5.226 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.412 1.998 -5.608 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.748 2.207 -4.082 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.475 2.348 -3.213 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.733 3.382 -3.864 1.00 0.00 C ATOM 0 H LEU A 80 -0.306 1.782 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.020 3.852 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.245 1.450 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.539 1.347 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.253 1.301 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.760 2.490 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.130 1.446 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.103 3.208 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.938 3.492 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.291 4.303 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.664 3.180 -4.394 1.00 0.00 H new ATOM 1216 N CYS A 81 1.239 3.917 -6.491 1.00 0.00 N ATOM 1217 CA CYS A 81 2.478 4.578 -6.019 1.00 0.00 C ATOM 1218 C CYS A 81 2.817 4.158 -4.575 1.00 0.00 C ATOM 1219 O CYS A 81 2.016 4.355 -3.656 1.00 0.00 O ATOM 1220 CB CYS A 81 2.425 6.120 -6.126 1.00 0.00 C ATOM 1221 SG CYS A 81 3.949 6.941 -5.591 1.00 0.00 S ATOM 0 H CYS A 81 1.412 3.237 -7.232 1.00 0.00 H new ATOM 0 HA CYS A 81 3.270 4.239 -6.687 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.218 6.397 -7.160 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.594 6.489 -5.525 1.00 0.00 H new ATOM 0 HG CYS A 81 3.816 8.228 -5.717 1.00 0.00 H new ATOM 1227 N ALA A 82 4.035 3.611 -4.383 1.00 0.00 N ATOM 1228 CA ALA A 82 4.513 3.100 -3.075 1.00 0.00 C ATOM 1229 C ALA A 82 4.442 4.167 -1.956 1.00 0.00 C ATOM 1230 O ALA A 82 4.372 3.822 -0.783 1.00 0.00 O ATOM 1231 CB ALA A 82 5.932 2.538 -3.220 1.00 0.00 C ATOM 0 H ALA A 82 4.720 3.509 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 82 3.842 2.297 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.276 2.165 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.928 1.723 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.602 3.326 -3.564 1.00 0.00 H new ATOM 1237 N SER A 83 4.474 5.460 -2.352 1.00 0.00 N ATOM 1238 CA SER A 83 4.281 6.612 -1.438 1.00 0.00 C ATOM 1239 C SER A 83 2.962 6.516 -0.623 1.00 0.00 C ATOM 1240 O SER A 83 2.972 6.723 0.581 1.00 0.00 O ATOM 1241 CB SER A 83 4.302 7.932 -2.241 1.00 0.00 C ATOM 1242 OG SER A 83 4.077 9.068 -1.412 1.00 0.00 O ATOM 0 H SER A 83 4.635 5.736 -3.321 1.00 0.00 H new ATOM 0 HA SER A 83 5.105 6.594 -0.724 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.264 8.035 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.539 7.895 -3.019 1.00 0.00 H new ATOM 0 HG SER A 83 4.100 9.881 -1.958 1.00 0.00 H new ATOM 1248 N ARG A 84 1.834 6.201 -1.303 1.00 0.00 N ATOM 1249 CA ARG A 84 0.483 6.095 -0.662 1.00 0.00 C ATOM 1250 C ARG A 84 0.384 4.901 0.321 1.00 0.00 C ATOM 1251 O ARG A 84 -0.178 5.022 1.417 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.637 6.007 -1.758 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.321 7.350 -2.142 1.00 0.00 C ATOM 1254 CD ARG A 84 -0.401 8.392 -2.833 1.00 0.00 C ATOM 1255 NE ARG A 84 0.682 8.913 -1.969 1.00 0.00 N ATOM 1256 CZ ARG A 84 0.529 9.671 -0.895 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -0.631 10.101 -0.514 1.00 0.00 N ATOM 1258 NH2 ARG A 84 1.565 10.007 -0.202 1.00 0.00 N ATOM 0 H ARG A 84 1.825 6.013 -2.305 1.00 0.00 H new ATOM 0 HA ARG A 84 0.335 7.000 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.203 5.572 -2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.406 5.317 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.159 7.135 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.735 7.798 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.043 7.937 -3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.011 9.228 -3.176 1.00 0.00 H new ATOM 0 HE ARG A 84 1.637 8.664 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.466 9.857 -1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.710 10.684 0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.492 9.689 -0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.456 10.591 0.627 1.00 0.00 H new ATOM 1272 N TRP A 85 0.955 3.770 -0.089 1.00 0.00 N ATOM 1273 CA TRP A 85 0.929 2.505 0.676 1.00 0.00 C ATOM 1274 C TRP A 85 1.844 2.607 1.931 1.00 0.00 C ATOM 1275 O TRP A 85 1.455 2.215 3.043 1.00 0.00 O ATOM 1276 CB TRP A 85 1.312 1.353 -0.305 1.00 0.00 C ATOM 1277 CG TRP A 85 1.891 0.110 0.306 1.00 0.00 C ATOM 1278 CD1 TRP A 85 3.069 -0.457 -0.039 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.337 -0.711 1.349 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.318 -1.540 0.750 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.269 -1.726 1.601 1.00 0.00 C ATOM 1282 CE3 TRP A 85 0.161 -0.677 2.098 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 2.068 -2.698 2.572 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.039 -1.643 3.055 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.906 -2.639 3.286 1.00 0.00 C ATOM 0 H TRP A 85 1.458 3.696 -0.973 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.064 2.291 1.072 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.420 1.073 -0.865 1.00 0.00 H new ATOM 0 HB3 TRP A 85 2.031 1.744 -1.025 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.719 -0.103 -0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.156 -2.120 0.710 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.578 0.093 1.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.801 -3.469 2.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.947 -1.629 3.639 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.716 -3.381 4.047 1.00 0.00 H new ATOM 1296 N GLN A 86 3.038 3.180 1.735 1.00 0.00 N ATOM 1297 CA GLN A 86 4.007 3.464 2.819 1.00 0.00 C ATOM 1298 C GLN A 86 3.464 4.532 3.807 1.00 0.00 C ATOM 1299 O GLN A 86 3.681 4.442 5.019 1.00 0.00 O ATOM 1300 CB GLN A 86 5.359 3.922 2.202 1.00 0.00 C ATOM 1301 CG GLN A 86 6.432 4.347 3.229 1.00 0.00 C ATOM 1302 CD GLN A 86 6.806 3.267 4.253 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.864 2.079 3.955 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.992 3.679 5.489 1.00 0.00 N ATOM 0 H GLN A 86 3.369 3.465 0.813 1.00 0.00 H new ATOM 0 HA GLN A 86 4.163 2.548 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.759 3.109 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.170 4.758 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.332 4.645 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.074 5.227 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.938 4.674 5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.190 3.004 6.227 1.00 0.00 H new ATOM 1313 N GLU A 87 2.755 5.535 3.262 1.00 0.00 N ATOM 1314 CA GLU A 87 2.121 6.617 4.056 1.00 0.00 C ATOM 1315 C GLU A 87 1.062 6.045 5.030 1.00 0.00 C ATOM 1316 O GLU A 87 1.013 6.428 6.203 1.00 0.00 O ATOM 1317 CB GLU A 87 1.453 7.644 3.096 1.00 0.00 C ATOM 1318 CG GLU A 87 0.661 8.783 3.773 1.00 0.00 C ATOM 1319 CD GLU A 87 -0.126 9.638 2.760 1.00 0.00 C ATOM 1320 OE1 GLU A 87 -1.166 9.164 2.258 1.00 0.00 O ATOM 1321 OE2 GLU A 87 0.304 10.773 2.439 1.00 0.00 O ATOM 0 H GLU A 87 2.601 5.624 2.258 1.00 0.00 H new ATOM 0 HA GLU A 87 2.894 7.111 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.229 8.088 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.779 7.105 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.031 8.358 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.350 9.422 4.325 1.00 0.00 H new ATOM 1328 N ALA A 88 0.232 5.110 4.518 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.814 4.423 5.312 1.00 0.00 C ATOM 1330 C ALA A 88 -0.194 3.554 6.435 1.00 0.00 C ATOM 1331 O ALA A 88 -0.806 3.363 7.495 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.707 3.574 4.394 1.00 0.00 C ATOM 0 H ALA A 88 0.267 4.810 3.544 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.429 5.185 5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.471 3.075 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.186 4.217 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.099 2.827 3.884 1.00 0.00 H new ATOM 1338 N PHE A 89 1.027 3.035 6.187 1.00 0.00 N ATOM 1339 CA PHE A 89 1.808 2.294 7.200 1.00 0.00 C ATOM 1340 C PHE A 89 2.292 3.233 8.336 1.00 0.00 C ATOM 1341 O PHE A 89 2.183 2.900 9.523 1.00 0.00 O ATOM 1342 CB PHE A 89 3.013 1.563 6.541 1.00 0.00 C ATOM 1343 CG PHE A 89 3.835 0.746 7.540 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.399 -0.511 7.961 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.007 1.254 8.103 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.108 -1.228 8.898 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.702 0.534 9.048 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.254 -0.703 9.443 1.00 0.00 C ATOM 0 H PHE A 89 1.497 3.117 5.285 1.00 0.00 H new ATOM 0 HA PHE A 89 1.151 1.545 7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.645 0.903 5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.660 2.298 6.062 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.493 -0.927 7.546 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.372 2.222 7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.763 -2.204 9.205 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.603 0.943 9.481 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.804 -1.264 10.184 1.00 0.00 H new ATOM 1358 N GLU A 90 2.842 4.403 7.952 1.00 0.00 N ATOM 1359 CA GLU A 90 3.327 5.434 8.908 1.00 0.00 C ATOM 1360 C GLU A 90 2.167 6.157 9.626 1.00 0.00 C ATOM 1361 O GLU A 90 2.367 6.803 10.660 1.00 0.00 O ATOM 1362 CB GLU A 90 4.245 6.440 8.178 1.00 0.00 C ATOM 1363 CG GLU A 90 5.506 5.792 7.587 1.00 0.00 C ATOM 1364 CD GLU A 90 6.417 6.796 6.871 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.272 7.415 7.538 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.277 6.971 5.643 1.00 0.00 O ATOM 0 H GLU A 90 2.965 4.665 6.974 1.00 0.00 H new ATOM 0 HA GLU A 90 3.903 4.927 9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.682 6.920 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.540 7.224 8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.067 5.307 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.212 5.012 6.885 1.00 0.00 H new ATOM 1373 N ALA A 91 0.949 6.027 9.068 1.00 0.00 N ATOM 1374 CA ALA A 91 -0.308 6.441 9.733 1.00 0.00 C ATOM 1375 C ALA A 91 -0.724 5.436 10.850 1.00 0.00 C ATOM 1376 O ALA A 91 -1.726 5.643 11.548 1.00 0.00 O ATOM 1377 CB ALA A 91 -1.418 6.583 8.677 1.00 0.00 C ATOM 0 H ALA A 91 0.805 5.631 8.139 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.146 7.404 10.218 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.345 6.888 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.128 7.335 7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.568 5.627 8.176 1.00 0.00 H new ATOM 1383 N GLY A 92 0.066 4.345 10.999 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.139 3.328 12.039 1.00 0.00 C ATOM 1385 C GLY A 92 -1.157 2.251 11.655 1.00 0.00 C ATOM 1386 O GLY A 92 -1.619 1.496 12.514 1.00 0.00 O ATOM 0 H GLY A 92 0.865 4.152 10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.815 2.851 12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.470 3.819 12.954 1.00 0.00 H new ATOM 1390 N MET A 93 -1.489 2.158 10.348 1.00 0.00 N ATOM 1391 CA MET A 93 -2.590 1.297 9.850 1.00 0.00 C ATOM 1392 C MET A 93 -2.078 0.204 8.864 1.00 0.00 C ATOM 1393 O MET A 93 -1.906 -0.954 9.260 1.00 0.00 O ATOM 1394 CB MET A 93 -3.690 2.188 9.199 1.00 0.00 C ATOM 1395 CG MET A 93 -4.255 3.278 10.125 1.00 0.00 C ATOM 1396 SD MET A 93 -4.889 2.628 11.693 1.00 0.00 S ATOM 1397 CE MET A 93 -6.252 1.592 11.154 1.00 0.00 C ATOM 0 H MET A 93 -1.006 2.673 9.612 1.00 0.00 H new ATOM 0 HA MET A 93 -3.022 0.763 10.697 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.276 2.663 8.309 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.509 1.549 8.868 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.474 4.010 10.332 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.057 3.805 9.607 1.00 0.00 H new ATOM 0 HE1 MET A 93 -6.803 1.234 12.024 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.919 2.171 10.516 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.863 0.741 10.595 1.00 0.00 H new ATOM 1407 N ALA A 94 -1.832 0.601 7.590 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.360 -0.292 6.491 1.00 0.00 C ATOM 1409 C ALA A 94 -2.382 -1.415 6.106 1.00 0.00 C ATOM 1410 O ALA A 94 -2.504 -2.420 6.817 1.00 0.00 O ATOM 1411 CB ALA A 94 0.019 -0.889 6.797 1.00 0.00 C ATOM 0 H ALA A 94 -1.957 1.567 7.288 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.272 0.352 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.328 -1.533 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.744 -0.085 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.033 -1.474 7.715 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.134 -1.242 4.968 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.118 -2.256 4.452 1.00 0.00 C ATOM 1419 C PRO A 95 -3.481 -3.583 3.920 1.00 0.00 C ATOM 1420 O PRO A 95 -2.256 -3.687 3.781 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.822 -1.477 3.302 1.00 0.00 C ATOM 1422 CG PRO A 95 -3.802 -0.485 2.854 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.117 -0.026 4.111 1.00 0.00 C ATOM 0 HA PRO A 95 -4.776 -2.609 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.113 -2.143 2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.730 -0.985 3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.092 -0.937 2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.268 0.351 2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.100 0.315 3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.647 0.804 4.579 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.321 -4.643 3.649 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.869 -5.861 2.919 1.00 0.00 C ATOM 1433 C PRO A 96 -3.513 -5.558 1.431 1.00 0.00 C ATOM 1434 O PRO A 96 -4.395 -5.278 0.616 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.092 -6.829 3.031 1.00 0.00 C ATOM 1436 CG PRO A 96 -5.938 -6.271 4.141 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.744 -4.774 4.076 1.00 0.00 C ATOM 0 HA PRO A 96 -2.954 -6.280 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.648 -6.870 2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.770 -7.846 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.987 -6.538 4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.628 -6.666 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.425 -4.309 3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.922 -4.301 5.042 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.217 -5.611 1.091 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.723 -5.319 -0.277 1.00 0.00 C ATOM 1447 C VAL A 97 -1.567 -6.631 -1.093 1.00 0.00 C ATOM 1448 O VAL A 97 -1.399 -7.715 -0.525 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.358 -4.517 -0.209 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.740 -5.306 0.551 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.135 -4.079 -1.615 1.00 0.00 C ATOM 0 H VAL A 97 -1.478 -5.856 1.749 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.456 -4.695 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.561 -3.609 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.659 -4.720 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.408 -5.501 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.926 -6.252 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.073 -3.533 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.291 -4.961 -2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.613 -3.436 -2.079 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.695 -6.525 -2.424 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.511 -7.663 -3.362 1.00 0.00 C ATOM 1463 C VAL A 98 -0.027 -7.758 -3.840 1.00 0.00 C ATOM 1464 O VAL A 98 0.441 -6.969 -4.669 1.00 0.00 O ATOM 1465 CB VAL A 98 -2.530 -7.569 -4.565 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.484 -6.183 -5.261 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -2.328 -8.735 -5.575 1.00 0.00 C ATOM 0 H VAL A 98 -1.930 -5.649 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.731 -8.590 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.531 -7.674 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.201 -6.164 -6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.737 -5.405 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.482 -6.005 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.046 -8.639 -6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.315 -8.697 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.481 -9.687 -5.067 1.00 0.00 H new ATOM 1477 N LEU A 99 0.689 -8.756 -3.292 1.00 0.00 N ATOM 1478 CA LEU A 99 2.159 -8.937 -3.458 1.00 0.00 C ATOM 1479 C LEU A 99 2.539 -9.345 -4.897 1.00 0.00 C ATOM 1480 O LEU A 99 3.544 -8.880 -5.436 1.00 0.00 O ATOM 1481 CB LEU A 99 2.681 -10.021 -2.466 1.00 0.00 C ATOM 1482 CG LEU A 99 2.782 -9.635 -0.951 1.00 0.00 C ATOM 1483 CD1 LEU A 99 1.480 -9.038 -0.393 1.00 0.00 C ATOM 1484 CD2 LEU A 99 3.236 -10.851 -0.118 1.00 0.00 C ATOM 0 H LEU A 99 0.263 -9.477 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 99 2.624 -7.975 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.030 -10.891 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.671 -10.332 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 99 3.533 -8.849 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.615 -8.792 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.227 -8.134 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.674 -9.764 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.302 -10.568 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.514 -11.660 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.213 -11.186 -0.466 1.00 0.00 H new ATOM 1496 N GLN A 100 1.725 -10.237 -5.488 1.00 0.00 N ATOM 1497 CA GLN A 100 1.973 -10.798 -6.837 1.00 0.00 C ATOM 1498 C GLN A 100 1.806 -9.730 -7.945 1.00 0.00 C ATOM 1499 O GLN A 100 2.421 -9.828 -9.013 1.00 0.00 O ATOM 1500 CB GLN A 100 1.032 -12.002 -7.080 1.00 0.00 C ATOM 1501 CG GLN A 100 1.180 -13.127 -6.035 1.00 0.00 C ATOM 1502 CD GLN A 100 0.237 -14.302 -6.278 1.00 0.00 C ATOM 1503 OE1 GLN A 100 0.574 -15.249 -6.979 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -0.957 -14.242 -5.720 1.00 0.00 N ATOM 0 H GLN A 100 0.876 -10.592 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 100 3.008 -11.138 -6.881 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.000 -11.651 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.229 -12.411 -8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.209 -13.488 -6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.992 -12.718 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.210 -13.441 -5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.627 -14.997 -5.867 1.00 0.00 H new ATOM 1513 N SER A 101 0.963 -8.718 -7.675 1.00 0.00 N ATOM 1514 CA SER A 101 0.785 -7.550 -8.569 1.00 0.00 C ATOM 1515 C SER A 101 1.875 -6.482 -8.298 1.00 0.00 C ATOM 1516 O SER A 101 2.262 -5.735 -9.203 1.00 0.00 O ATOM 1517 CB SER A 101 -0.627 -6.945 -8.382 1.00 0.00 C ATOM 1518 OG SER A 101 -0.890 -5.888 -9.294 1.00 0.00 O ATOM 0 H SER A 101 0.386 -8.682 -6.835 1.00 0.00 H new ATOM 0 HA SER A 101 0.887 -7.885 -9.601 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.374 -7.728 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.728 -6.574 -7.362 1.00 0.00 H new ATOM 0 HG SER A 101 -1.793 -5.539 -9.139 1.00 0.00 H new ATOM 1524 N THR A 102 2.360 -6.420 -7.038 1.00 0.00 N ATOM 1525 CA THR A 102 3.447 -5.498 -6.632 1.00 0.00 C ATOM 1526 C THR A 102 4.810 -6.005 -7.160 1.00 0.00 C ATOM 1527 O THR A 102 5.398 -6.951 -6.619 1.00 0.00 O ATOM 1528 CB THR A 102 3.497 -5.315 -5.071 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.235 -4.824 -4.584 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.607 -4.344 -4.623 1.00 0.00 C ATOM 0 H THR A 102 2.012 -7.003 -6.277 1.00 0.00 H new ATOM 0 HA THR A 102 3.237 -4.524 -7.073 1.00 0.00 H new ATOM 0 HB THR A 102 3.714 -6.298 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.575 -5.548 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.596 -4.255 -3.537 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.576 -4.725 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.435 -3.364 -5.069 1.00 0.00 H new ATOM 1538 N GLU A 103 5.279 -5.383 -8.258 1.00 0.00 N ATOM 1539 CA GLU A 103 6.577 -5.710 -8.893 1.00 0.00 C ATOM 1540 C GLU A 103 7.767 -5.303 -7.978 1.00 0.00 C ATOM 1541 O GLU A 103 7.638 -4.408 -7.130 1.00 0.00 O ATOM 1542 CB GLU A 103 6.671 -5.012 -10.285 1.00 0.00 C ATOM 1543 CG GLU A 103 7.914 -5.373 -11.140 1.00 0.00 C ATOM 1544 CD GLU A 103 7.980 -6.861 -11.529 1.00 0.00 C ATOM 1545 OE1 GLU A 103 7.320 -7.260 -12.513 1.00 0.00 O ATOM 1546 OE2 GLU A 103 8.679 -7.641 -10.847 1.00 0.00 O ATOM 0 H GLU A 103 4.770 -4.638 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 103 6.636 -6.789 -9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.776 -5.261 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.661 -3.933 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.909 -4.768 -12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.815 -5.110 -10.586 1.00 0.00 H new ATOM 1553 N LYS A 104 8.932 -5.958 -8.185 1.00 0.00 N ATOM 1554 CA LYS A 104 10.145 -5.787 -7.343 1.00 0.00 C ATOM 1555 C LYS A 104 10.724 -4.343 -7.391 1.00 0.00 C ATOM 1556 O LYS A 104 11.571 -3.991 -6.560 1.00 0.00 O ATOM 1557 CB LYS A 104 11.237 -6.844 -7.699 1.00 0.00 C ATOM 1558 CG LYS A 104 10.967 -8.320 -7.240 1.00 0.00 C ATOM 1559 CD LYS A 104 9.956 -9.114 -8.125 1.00 0.00 C ATOM 1560 CE LYS A 104 8.482 -9.039 -7.659 1.00 0.00 C ATOM 1561 NZ LYS A 104 7.559 -9.599 -8.680 1.00 0.00 N ATOM 0 H LYS A 104 9.061 -6.625 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 104 9.827 -5.956 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.371 -6.843 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.181 -6.519 -7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.914 -8.859 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.594 -8.303 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.018 -8.740 -9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.261 -10.160 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.367 -9.586 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.216 -8.002 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.575 -9.457 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.712 -9.116 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.743 -10.616 -8.793 1.00 0.00 H new ATOM 1575 N SER A 105 10.278 -3.530 -8.372 1.00 0.00 N ATOM 1576 CA SER A 105 10.593 -2.077 -8.433 1.00 0.00 C ATOM 1577 C SER A 105 10.140 -1.333 -7.145 1.00 0.00 C ATOM 1578 O SER A 105 10.850 -0.456 -6.639 1.00 0.00 O ATOM 1579 CB SER A 105 9.898 -1.453 -9.661 1.00 0.00 C ATOM 1580 OG SER A 105 10.181 -0.068 -9.802 1.00 0.00 O ATOM 0 H SER A 105 9.693 -3.854 -9.142 1.00 0.00 H new ATOM 0 HA SER A 105 11.675 -1.971 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.217 -1.979 -10.561 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.821 -1.593 -9.575 1.00 0.00 H new ATOM 0 HG SER A 105 10.621 0.090 -10.663 1.00 0.00 H new ATOM 1586 N ALA A 106 8.957 -1.722 -6.617 1.00 0.00 N ATOM 1587 CA ALA A 106 8.357 -1.124 -5.393 1.00 0.00 C ATOM 1588 C ALA A 106 9.097 -1.538 -4.095 1.00 0.00 C ATOM 1589 O ALA A 106 9.007 -0.848 -3.077 1.00 0.00 O ATOM 1590 CB ALA A 106 6.874 -1.514 -5.291 1.00 0.00 C ATOM 0 H ALA A 106 8.386 -2.462 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 106 8.456 -0.043 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.443 -1.072 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.340 -1.147 -6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.786 -2.599 -5.240 1.00 0.00 H new ATOM 1596 N LEU A 107 9.820 -2.672 -4.146 1.00 0.00 N ATOM 1597 CA LEU A 107 10.611 -3.209 -2.998 1.00 0.00 C ATOM 1598 C LEU A 107 11.762 -2.262 -2.588 1.00 0.00 C ATOM 1599 O LEU A 107 12.241 -2.314 -1.453 1.00 0.00 O ATOM 1600 CB LEU A 107 11.169 -4.627 -3.340 1.00 0.00 C ATOM 1601 CG LEU A 107 10.185 -5.836 -3.169 1.00 0.00 C ATOM 1602 CD1 LEU A 107 8.816 -5.606 -3.845 1.00 0.00 C ATOM 1603 CD2 LEU A 107 10.846 -7.144 -3.664 1.00 0.00 C ATOM 0 H LEU A 107 9.879 -3.252 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 107 9.936 -3.285 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.516 -4.615 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.042 -4.809 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 107 9.978 -5.927 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.182 -6.479 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.338 -4.729 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 107 8.960 -5.448 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.150 -7.973 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.105 -7.044 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.749 -7.337 -3.085 1.00 0.00 H new ATOM 1615 N ARG A 108 12.192 -1.400 -3.519 1.00 0.00 N ATOM 1616 CA ARG A 108 13.227 -0.371 -3.258 1.00 0.00 C ATOM 1617 C ARG A 108 12.629 0.853 -2.500 1.00 0.00 C ATOM 1618 O ARG A 108 13.363 1.677 -1.947 1.00 0.00 O ATOM 1619 CB ARG A 108 13.868 0.073 -4.607 1.00 0.00 C ATOM 1620 CG ARG A 108 14.276 -1.104 -5.540 1.00 0.00 C ATOM 1621 CD ARG A 108 15.163 -0.667 -6.722 1.00 0.00 C ATOM 1622 NE ARG A 108 16.525 -0.313 -6.279 1.00 0.00 N ATOM 1623 CZ ARG A 108 17.381 0.444 -6.931 1.00 0.00 C ATOM 1624 NH1 ARG A 108 17.066 1.023 -8.052 1.00 0.00 N ATOM 1625 NH2 ARG A 108 18.559 0.623 -6.435 1.00 0.00 N ATOM 0 H ARG A 108 11.837 -1.390 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 108 13.997 -0.803 -2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 108 13.164 0.714 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.751 0.676 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.807 -1.855 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.375 -1.580 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 108 15.216 -1.472 -7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.709 0.189 -7.221 1.00 0.00 H new ATOM 0 HE ARG A 108 16.832 -0.691 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 108 16.135 0.896 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 108 17.750 1.605 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 108 18.813 0.181 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 108 19.236 1.207 -6.926 1.00 0.00 H new ATOM 1639 N TYR A 109 11.281 0.939 -2.489 1.00 0.00 N ATOM 1640 CA TYR A 109 10.511 2.074 -1.912 1.00 0.00 C ATOM 1641 C TYR A 109 9.727 1.695 -0.628 1.00 0.00 C ATOM 1642 O TYR A 109 9.284 2.591 0.099 1.00 0.00 O ATOM 1643 CB TYR A 109 9.501 2.593 -2.967 1.00 0.00 C ATOM 1644 CG TYR A 109 10.134 3.248 -4.201 1.00 0.00 C ATOM 1645 CD1 TYR A 109 10.710 2.481 -5.217 1.00 0.00 C ATOM 1646 CD2 TYR A 109 10.154 4.638 -4.343 1.00 0.00 C ATOM 1647 CE1 TYR A 109 11.285 3.077 -6.322 1.00 0.00 C ATOM 1648 CE2 TYR A 109 10.724 5.234 -5.447 1.00 0.00 C ATOM 1649 CZ TYR A 109 11.290 4.453 -6.432 1.00 0.00 C ATOM 1650 OH TYR A 109 11.864 5.051 -7.525 1.00 0.00 O ATOM 0 H TYR A 109 10.684 0.213 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 109 11.238 2.838 -1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.880 1.759 -3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.839 3.315 -2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.705 1.404 -5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.715 5.256 -3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.729 2.469 -7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.727 6.310 -5.540 1.00 0.00 H new ATOM 0 HH TYR A 109 11.781 6.024 -7.447 1.00 0.00 H new ATOM 1660 N VAL A 110 9.518 0.384 -0.363 1.00 0.00 N ATOM 1661 CA VAL A 110 8.679 -0.056 0.795 1.00 0.00 C ATOM 1662 C VAL A 110 9.192 -1.359 1.475 1.00 0.00 C ATOM 1663 O VAL A 110 8.900 -1.592 2.660 1.00 0.00 O ATOM 1664 CB VAL A 110 7.176 -0.231 0.347 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.979 -1.444 -0.608 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.237 -0.312 1.574 1.00 0.00 C ATOM 0 H VAL A 110 9.906 -0.379 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 110 8.754 0.732 1.544 1.00 0.00 H new ATOM 0 HB VAL A 110 6.906 0.657 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.928 -1.521 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.583 -1.303 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.288 -2.359 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.207 -0.432 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.519 -1.165 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.323 0.604 2.159 1.00 0.00 H new ATOM 1676 N SER A 111 9.953 -2.176 0.704 1.00 0.00 N ATOM 1677 CA SER A 111 10.491 -3.511 1.120 1.00 0.00 C ATOM 1678 C SER A 111 9.443 -4.640 1.012 1.00 0.00 C ATOM 1679 O SER A 111 8.272 -4.456 1.345 1.00 0.00 O ATOM 1680 CB SER A 111 11.124 -3.506 2.542 1.00 0.00 C ATOM 1681 OG SER A 111 11.495 -4.808 2.970 1.00 0.00 O ATOM 0 H SER A 111 10.220 -1.926 -0.248 1.00 0.00 H new ATOM 0 HA SER A 111 11.288 -3.717 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.003 -2.861 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.415 -3.081 3.252 1.00 0.00 H new ATOM 0 HG SER A 111 11.889 -4.758 3.866 1.00 0.00 H new ATOM 1687 N LEU A 112 9.907 -5.811 0.539 1.00 0.00 N ATOM 1688 CA LEU A 112 9.122 -7.064 0.485 1.00 0.00 C ATOM 1689 C LEU A 112 8.689 -7.545 1.887 1.00 0.00 C ATOM 1690 O LEU A 112 7.584 -8.056 2.045 1.00 0.00 O ATOM 1691 CB LEU A 112 9.957 -8.156 -0.257 1.00 0.00 C ATOM 1692 CG LEU A 112 9.471 -9.662 -0.185 1.00 0.00 C ATOM 1693 CD1 LEU A 112 9.767 -10.429 -1.492 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.100 -10.414 1.026 1.00 0.00 C ATOM 0 H LEU A 112 10.854 -5.918 0.177 1.00 0.00 H new ATOM 0 HA LEU A 112 8.201 -6.872 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.009 -7.875 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.974 -8.117 0.134 1.00 0.00 H new ATOM 0 HG LEU A 112 8.390 -9.628 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.417 -11.457 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.253 -9.945 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.841 -10.427 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.742 -11.443 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.186 -10.409 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.812 -9.917 1.952 1.00 0.00 H new ATOM 1706 N ALA A 113 9.576 -7.387 2.888 1.00 0.00 N ATOM 1707 CA ALA A 113 9.339 -7.883 4.272 1.00 0.00 C ATOM 1708 C ALA A 113 8.062 -7.273 4.905 1.00 0.00 C ATOM 1709 O ALA A 113 7.372 -7.927 5.699 1.00 0.00 O ATOM 1710 CB ALA A 113 10.562 -7.590 5.148 1.00 0.00 C ATOM 0 H ALA A 113 10.473 -6.916 2.769 1.00 0.00 H new ATOM 0 HA ALA A 113 9.182 -8.960 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.381 -7.956 6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.436 -8.091 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.739 -6.515 5.177 1.00 0.00 H new ATOM 1716 N ASP A 114 7.761 -6.016 4.525 1.00 0.00 N ATOM 1717 CA ASP A 114 6.528 -5.322 4.937 1.00 0.00 C ATOM 1718 C ASP A 114 5.296 -5.971 4.239 1.00 0.00 C ATOM 1719 O ASP A 114 4.272 -6.230 4.877 1.00 0.00 O ATOM 1720 CB ASP A 114 6.626 -3.793 4.608 1.00 0.00 C ATOM 1721 CG ASP A 114 5.905 -2.911 5.647 1.00 0.00 C ATOM 1722 OD1 ASP A 114 4.666 -2.765 5.572 1.00 0.00 O ATOM 1723 OD2 ASP A 114 6.578 -2.391 6.567 1.00 0.00 O ATOM 0 H ASP A 114 8.366 -5.455 3.925 1.00 0.00 H new ATOM 0 HA ASP A 114 6.403 -5.423 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.676 -3.503 4.558 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.197 -3.610 3.623 1.00 0.00 H new ATOM 1728 N LEU A 115 5.475 -6.341 2.951 1.00 0.00 N ATOM 1729 CA LEU A 115 4.375 -6.819 2.072 1.00 0.00 C ATOM 1730 C LEU A 115 3.881 -8.197 2.538 1.00 0.00 C ATOM 1731 O LEU A 115 2.673 -8.446 2.652 1.00 0.00 O ATOM 1732 CB LEU A 115 4.868 -6.925 0.599 1.00 0.00 C ATOM 1733 CG LEU A 115 5.508 -5.643 -0.006 1.00 0.00 C ATOM 1734 CD1 LEU A 115 5.967 -5.864 -1.456 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.566 -4.441 0.095 1.00 0.00 C ATOM 0 H LEU A 115 6.384 -6.318 2.489 1.00 0.00 H new ATOM 0 HA LEU A 115 3.556 -6.102 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.598 -7.733 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.022 -7.213 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 115 6.394 -5.421 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.408 -4.945 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.708 -6.663 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.110 -6.141 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.047 -3.564 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.645 -4.654 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.334 -4.248 1.142 1.00 0.00 H new ATOM 1747 N GLN A 116 4.865 -9.064 2.822 1.00 0.00 N ATOM 1748 CA GLN A 116 4.658 -10.456 3.266 1.00 0.00 C ATOM 1749 C GLN A 116 3.924 -10.490 4.605 1.00 0.00 C ATOM 1750 O GLN A 116 2.996 -11.263 4.788 1.00 0.00 O ATOM 1751 CB GLN A 116 6.038 -11.141 3.383 1.00 0.00 C ATOM 1752 CG GLN A 116 6.835 -11.136 2.066 1.00 0.00 C ATOM 1753 CD GLN A 116 6.408 -12.203 1.049 1.00 0.00 C ATOM 1754 OE1 GLN A 116 5.935 -13.277 1.404 1.00 0.00 O ATOM 1755 NE2 GLN A 116 6.581 -11.914 -0.228 1.00 0.00 N ATOM 0 H GLN A 116 5.851 -8.813 2.748 1.00 0.00 H new ATOM 0 HA GLN A 116 4.042 -10.988 2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.621 -10.638 4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.898 -12.171 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.738 -10.154 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.891 -11.277 2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.977 -11.013 -0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.319 -12.591 -0.944 1.00 0.00 H new ATOM 1764 N ALA A 117 4.356 -9.609 5.516 1.00 0.00 N ATOM 1765 CA ALA A 117 3.735 -9.442 6.848 1.00 0.00 C ATOM 1766 C ALA A 117 2.247 -8.993 6.779 1.00 0.00 C ATOM 1767 O ALA A 117 1.459 -9.323 7.670 1.00 0.00 O ATOM 1768 CB ALA A 117 4.565 -8.462 7.679 1.00 0.00 C ATOM 0 H ALA A 117 5.148 -8.987 5.355 1.00 0.00 H new ATOM 0 HA ALA A 117 3.728 -10.420 7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.107 -8.339 8.661 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.577 -8.850 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.603 -7.497 7.173 1.00 0.00 H new ATOM 1774 N HIS A 118 1.865 -8.240 5.722 1.00 0.00 N ATOM 1775 CA HIS A 118 0.462 -7.766 5.540 1.00 0.00 C ATOM 1776 C HIS A 118 -0.397 -8.742 4.697 1.00 0.00 C ATOM 1777 O HIS A 118 -1.632 -8.644 4.716 1.00 0.00 O ATOM 1778 CB HIS A 118 0.439 -6.333 4.947 1.00 0.00 C ATOM 1779 CG HIS A 118 0.960 -5.296 5.910 1.00 0.00 C ATOM 1780 ND1 HIS A 118 2.092 -4.560 5.910 1.00 0.00 N flip ATOM 1781 CD2 HIS A 118 0.305 -4.962 7.070 1.00 0.00 C flip ATOM 1782 CE1 HIS A 118 2.102 -3.814 7.056 1.00 0.00 C flip ATOM 1783 NE2 HIS A 118 1.011 -4.076 7.737 1.00 0.00 N flip ATOM 0 H HIS A 118 2.502 -7.945 4.982 1.00 0.00 H new ATOM 0 HA HIS A 118 0.006 -7.737 6.529 1.00 0.00 H new ATOM 0 HB2 HIS A 118 1.038 -6.311 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.582 -6.078 4.663 1.00 0.00 H new ATOM 0 HD1 HIS A 118 2.810 -4.560 5.186 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -0.645 -5.366 7.386 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.878 -3.124 7.352 1.00 0.00 H new ATOM 1792 N ALA A 119 0.240 -9.664 3.945 1.00 0.00 N ATOM 1793 CA ALA A 119 -0.478 -10.800 3.313 1.00 0.00 C ATOM 1794 C ALA A 119 -0.683 -11.955 4.320 1.00 0.00 C ATOM 1795 O ALA A 119 -1.811 -12.278 4.703 1.00 0.00 O ATOM 1796 CB ALA A 119 0.271 -11.304 2.072 1.00 0.00 C ATOM 0 H ALA A 119 1.243 -9.648 3.759 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.457 -10.438 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.277 -12.136 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.355 -10.496 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.268 -11.638 2.359 1.00 0.00 H new ATOM 1802 N LEU A 120 0.436 -12.561 4.737 1.00 0.00 N ATOM 1803 CA LEU A 120 0.471 -13.709 5.663 1.00 0.00 C ATOM 1804 C LEU A 120 1.133 -13.315 7.018 1.00 0.00 C ATOM 1805 O LEU A 120 1.951 -12.387 7.060 1.00 0.00 O ATOM 1806 CB LEU A 120 1.200 -14.897 4.947 1.00 0.00 C ATOM 1807 CG LEU A 120 2.637 -14.625 4.342 1.00 0.00 C ATOM 1808 CD1 LEU A 120 3.765 -14.741 5.396 1.00 0.00 C ATOM 1809 CD2 LEU A 120 2.921 -15.541 3.125 1.00 0.00 C ATOM 0 H LEU A 120 1.364 -12.263 4.436 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.541 -14.028 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.287 -15.716 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.557 -15.246 4.139 1.00 0.00 H new ATOM 0 HG LEU A 120 2.632 -13.590 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.727 -14.544 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.596 -14.014 6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.767 -15.746 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.916 -15.328 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.869 -16.585 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.179 -15.355 2.349 1.00 0.00 H new ATOM 1821 N PRO A 121 0.769 -13.988 8.156 1.00 0.00 N ATOM 1822 CA PRO A 121 1.360 -13.690 9.485 1.00 0.00 C ATOM 1823 C PRO A 121 2.859 -14.089 9.590 1.00 0.00 C ATOM 1824 O PRO A 121 3.191 -15.261 9.814 1.00 0.00 O ATOM 1825 CB PRO A 121 0.475 -14.509 10.481 1.00 0.00 C ATOM 1826 CG PRO A 121 -0.731 -14.930 9.686 1.00 0.00 C ATOM 1827 CD PRO A 121 -0.253 -15.058 8.259 1.00 0.00 C ATOM 0 HA PRO A 121 1.360 -12.620 9.693 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.014 -15.375 10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.188 -13.904 11.341 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -1.131 -15.876 10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -1.530 -14.193 9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 121 0.171 -16.042 8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.065 -14.912 7.546 1.00 0.00 H new ATOM 1835 N VAL A 122 3.756 -13.109 9.375 1.00 0.00 N ATOM 1836 CA VAL A 122 5.207 -13.266 9.629 1.00 0.00 C ATOM 1837 C VAL A 122 5.749 -12.034 10.398 1.00 0.00 C ATOM 1838 O VAL A 122 5.454 -10.882 10.056 1.00 0.00 O ATOM 1839 CB VAL A 122 6.031 -13.520 8.302 1.00 0.00 C ATOM 1840 CG1 VAL A 122 5.925 -12.341 7.300 1.00 0.00 C ATOM 1841 CG2 VAL A 122 7.512 -13.866 8.620 1.00 0.00 C ATOM 0 H VAL A 122 3.500 -12.187 9.021 1.00 0.00 H new ATOM 0 HA VAL A 122 5.338 -14.155 10.246 1.00 0.00 H new ATOM 0 HB VAL A 122 5.581 -14.383 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.509 -12.568 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.881 -12.192 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.310 -11.433 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.054 -14.035 7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.971 -13.039 9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.552 -14.767 9.232 1.00 0.00 H new ATOM 1851 N LEU A 123 6.515 -12.297 11.469 1.00 0.00 N ATOM 1852 CA LEU A 123 7.126 -11.254 12.310 1.00 0.00 C ATOM 1853 C LEU A 123 8.655 -11.235 12.101 1.00 0.00 C ATOM 1854 O LEU A 123 9.320 -12.265 12.238 1.00 0.00 O ATOM 1855 CB LEU A 123 6.742 -11.520 13.798 1.00 0.00 C ATOM 1856 CG LEU A 123 7.082 -10.396 14.855 1.00 0.00 C ATOM 1857 CD1 LEU A 123 6.134 -10.470 16.075 1.00 0.00 C ATOM 1858 CD2 LEU A 123 8.564 -10.446 15.333 1.00 0.00 C ATOM 0 H LEU A 123 6.729 -13.245 11.778 1.00 0.00 H new ATOM 0 HA LEU A 123 6.752 -10.270 12.029 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.669 -11.706 13.840 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.237 -12.438 14.113 1.00 0.00 H new ATOM 0 HG LEU A 123 6.934 -9.445 14.343 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.393 -9.684 16.785 1.00 0.00 H new ATOM 0 HD12 LEU A 123 5.104 -10.336 15.744 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.236 -11.442 16.557 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.740 -9.651 16.058 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.764 -11.411 15.798 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.227 -10.311 14.478 1.00 0.00 H new ATOM 1870 N GLU A 124 9.194 -10.052 11.774 1.00 0.00 N ATOM 1871 CA GLU A 124 10.653 -9.808 11.688 1.00 0.00 C ATOM 1872 C GLU A 124 10.986 -8.355 12.144 1.00 0.00 C ATOM 1873 O GLU A 124 12.115 -7.875 11.971 1.00 0.00 O ATOM 1874 CB GLU A 124 11.149 -10.076 10.233 1.00 0.00 C ATOM 1875 CG GLU A 124 12.671 -10.275 10.110 1.00 0.00 C ATOM 1876 CD GLU A 124 13.143 -10.509 8.666 1.00 0.00 C ATOM 1877 OE1 GLU A 124 13.411 -9.518 7.955 1.00 0.00 O ATOM 1878 OE2 GLU A 124 13.251 -11.680 8.240 1.00 0.00 O ATOM 0 H GLU A 124 8.632 -9.228 11.559 1.00 0.00 H new ATOM 0 HA GLU A 124 11.174 -10.493 12.357 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.646 -10.963 9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.851 -9.240 9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.178 -9.398 10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.969 -11.125 10.724 1.00 0.00 H new ATOM 1885 N HIS A 125 9.981 -7.688 12.770 1.00 0.00 N ATOM 1886 CA HIS A 125 10.040 -6.273 13.231 1.00 0.00 C ATOM 1887 C HIS A 125 10.207 -5.285 12.041 1.00 0.00 C ATOM 1888 O HIS A 125 11.289 -5.185 11.453 1.00 0.00 O ATOM 1889 CB HIS A 125 11.142 -6.051 14.306 1.00 0.00 C ATOM 1890 CG HIS A 125 11.017 -6.956 15.502 1.00 0.00 C ATOM 1891 ND1 HIS A 125 10.062 -6.784 16.479 1.00 0.00 N ATOM 1892 CD2 HIS A 125 11.726 -8.051 15.871 1.00 0.00 C ATOM 1893 CE1 HIS A 125 10.187 -7.725 17.387 1.00 0.00 C ATOM 1894 NE2 HIS A 125 11.186 -8.506 17.047 1.00 0.00 N ATOM 0 H HIS A 125 9.084 -8.129 12.974 1.00 0.00 H new ATOM 0 HA HIS A 125 9.081 -6.060 13.704 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.119 -6.203 13.848 1.00 0.00 H new ATOM 0 HB3 HIS A 125 11.105 -5.015 14.641 1.00 0.00 H new ATOM 0 HD2 HIS A 125 12.560 -8.484 15.339 1.00 0.00 H new ATOM 0 HE1 HIS A 125 9.571 -7.837 18.267 1.00 0.00 H new ATOM 0 HE2 HIS A 125 11.508 -9.319 17.572 1.00 0.00 H new ATOM 1903 N HIS A 126 9.114 -4.566 11.693 1.00 0.00 N ATOM 1904 CA HIS A 126 9.106 -3.582 10.581 1.00 0.00 C ATOM 1905 C HIS A 126 10.009 -2.362 10.892 1.00 0.00 C ATOM 1906 O HIS A 126 9.904 -1.777 11.974 1.00 0.00 O ATOM 1907 CB HIS A 126 7.673 -3.074 10.306 1.00 0.00 C ATOM 1908 CG HIS A 126 6.676 -4.125 9.903 1.00 0.00 C ATOM 1909 ND1 HIS A 126 5.630 -4.519 10.708 1.00 0.00 N ATOM 1910 CD2 HIS A 126 6.521 -4.807 8.745 1.00 0.00 C ATOM 1911 CE1 HIS A 126 4.883 -5.384 10.066 1.00 0.00 C ATOM 1912 NE2 HIS A 126 5.394 -5.575 8.873 1.00 0.00 N ATOM 0 H HIS A 126 8.217 -4.650 12.171 1.00 0.00 H new ATOM 0 HA HIS A 126 9.492 -4.098 9.702 1.00 0.00 H new ATOM 0 HB2 HIS A 126 7.305 -2.575 11.203 1.00 0.00 H new ATOM 0 HB3 HIS A 126 7.719 -2.321 9.519 1.00 0.00 H new ATOM 0 HD1 HIS A 126 5.462 -4.188 11.658 1.00 0.00 H new ATOM 0 HD2 HIS A 126 7.166 -4.756 7.880 1.00 0.00 H new ATOM 0 HE1 HIS A 126 3.995 -5.860 10.455 1.00 0.00 H new ATOM 1921 N HIS A 127 10.873 -1.988 9.927 1.00 0.00 N ATOM 1922 CA HIS A 127 11.741 -0.787 10.028 1.00 0.00 C ATOM 1923 C HIS A 127 12.410 -0.484 8.658 1.00 0.00 C ATOM 1924 O HIS A 127 12.685 0.676 8.340 1.00 0.00 O ATOM 1925 CB HIS A 127 12.817 -0.966 11.141 1.00 0.00 C ATOM 1926 CG HIS A 127 13.376 0.327 11.677 1.00 0.00 C ATOM 1927 ND1 HIS A 127 14.486 0.955 11.153 1.00 0.00 N ATOM 1928 CD2 HIS A 127 12.961 1.113 12.700 1.00 0.00 C ATOM 1929 CE1 HIS A 127 14.727 2.061 11.828 1.00 0.00 C ATOM 1930 NE2 HIS A 127 13.818 2.178 12.767 1.00 0.00 N ATOM 0 H HIS A 127 10.992 -2.505 9.056 1.00 0.00 H new ATOM 0 HA HIS A 127 11.116 0.063 10.302 1.00 0.00 H new ATOM 0 HB2 HIS A 127 12.380 -1.529 11.966 1.00 0.00 H new ATOM 0 HB3 HIS A 127 13.636 -1.566 10.745 1.00 0.00 H new ATOM 0 HD2 HIS A 127 12.112 0.933 13.343 1.00 0.00 H new ATOM 0 HE1 HIS A 127 15.535 2.753 11.640 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.759 2.942 13.440 1.00 0.00 H new ATOM 1939 N HIS A 128 12.679 -1.545 7.871 1.00 0.00 N ATOM 1940 CA HIS A 128 13.170 -1.428 6.474 1.00 0.00 C ATOM 1941 C HIS A 128 12.062 -0.872 5.542 1.00 0.00 C ATOM 1942 O HIS A 128 11.087 -1.573 5.259 1.00 0.00 O ATOM 1943 CB HIS A 128 13.642 -2.815 5.960 1.00 0.00 C ATOM 1944 CG HIS A 128 14.848 -3.369 6.664 1.00 0.00 C ATOM 1945 ND1 HIS A 128 14.808 -4.479 7.481 1.00 0.00 N ATOM 1946 CD2 HIS A 128 16.144 -2.979 6.637 1.00 0.00 C ATOM 1947 CE1 HIS A 128 16.017 -4.744 7.922 1.00 0.00 C ATOM 1948 NE2 HIS A 128 16.846 -3.852 7.426 1.00 0.00 N ATOM 0 H HIS A 128 12.563 -2.510 8.182 1.00 0.00 H new ATOM 0 HA HIS A 128 14.009 -0.733 6.464 1.00 0.00 H new ATOM 0 HB2 HIS A 128 12.821 -3.524 6.063 1.00 0.00 H new ATOM 0 HB3 HIS A 128 13.864 -2.737 4.896 1.00 0.00 H new ATOM 0 HD2 HIS A 128 16.549 -2.137 6.095 1.00 0.00 H new ATOM 0 HE1 HIS A 128 16.285 -5.557 8.581 1.00 0.00 H new ATOM 0 HE2 HIS A 128 17.850 -3.816 7.601 1.00 0.00 H new ATOM 1957 N HIS A 129 12.203 0.396 5.096 1.00 0.00 N ATOM 1958 CA HIS A 129 11.187 1.072 4.232 1.00 0.00 C ATOM 1959 C HIS A 129 11.840 1.867 3.073 1.00 0.00 C ATOM 1960 O HIS A 129 11.383 1.785 1.936 1.00 0.00 O ATOM 1961 CB HIS A 129 10.312 2.053 5.062 1.00 0.00 C ATOM 1962 CG HIS A 129 9.674 1.449 6.277 1.00 0.00 C ATOM 1963 ND1 HIS A 129 9.023 0.239 6.259 1.00 0.00 N ATOM 1964 CD2 HIS A 129 9.637 1.869 7.564 1.00 0.00 C ATOM 1965 CE1 HIS A 129 8.622 -0.060 7.470 1.00 0.00 C ATOM 1966 NE2 HIS A 129 8.977 0.913 8.283 1.00 0.00 N ATOM 0 H HIS A 129 13.010 0.980 5.316 1.00 0.00 H new ATOM 0 HA HIS A 129 10.569 0.277 3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 129 10.930 2.895 5.374 1.00 0.00 H new ATOM 0 HB3 HIS A 129 9.529 2.453 4.418 1.00 0.00 H new ATOM 0 HD2 HIS A 129 10.052 2.788 7.950 1.00 0.00 H new ATOM 0 HE1 HIS A 129 8.089 -0.955 7.754 1.00 0.00 H new ATOM 0 HE2 HIS A 129 8.790 0.947 9.285 1.00 0.00 H new ATOM 1975 N HIS A 130 12.917 2.626 3.396 1.00 0.00 N ATOM 1976 CA HIS A 130 13.486 3.704 2.528 1.00 0.00 C ATOM 1977 C HIS A 130 12.493 4.905 2.399 1.00 0.00 C ATOM 1978 O HIS A 130 11.712 4.961 1.426 1.00 0.00 O ATOM 1979 CB HIS A 130 13.933 3.182 1.122 1.00 0.00 C ATOM 1980 CG HIS A 130 15.135 2.293 1.155 1.00 0.00 C ATOM 1981 ND1 HIS A 130 15.092 0.981 1.557 1.00 0.00 N ATOM 1982 CD2 HIS A 130 16.428 2.543 0.845 1.00 0.00 C ATOM 1983 CE1 HIS A 130 16.300 0.464 1.492 1.00 0.00 C ATOM 1984 NE2 HIS A 130 17.127 1.388 1.062 1.00 0.00 N ATOM 1985 OXT HIS A 130 12.488 5.779 3.298 1.00 0.00 O ATOM 0 H HIS A 130 13.424 2.511 4.273 1.00 0.00 H new ATOM 0 HA HIS A 130 14.390 4.058 3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 130 13.105 2.638 0.668 1.00 0.00 H new ATOM 0 HB3 HIS A 130 14.144 4.037 0.479 1.00 0.00 H new ATOM 0 HD2 HIS A 130 16.833 3.480 0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 130 16.566 -0.550 1.749 1.00 0.00 H new ATOM 0 HE2 HIS A 130 18.129 1.265 0.914 1.00 0.00 H new TER 1994 HIS A 130