USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 881 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 93 GLN : amide:sc= -0.0842 K(o=1.1,f=-0.69!) USER MOD Set 1.2: A 99 THR OG1 : rot -50:sc= 1.16 USER MOD Set 2.1: A 42 TYR OH : rot 94:sc= 0.00355 USER MOD Set 2.2: A 90 MET CE :methyl -121:sc= -1.4 (180deg=-6.89!) USER MOD Set 3.1: A 57 THR OG1 : rot 100:sc= 0.478 USER MOD Set 3.2: A 59 GLN :FLIP amide:sc= -2.61 F(o=-4.1,f=-2.1) USER MOD Set 4.1: A 3 ASN : amide:sc= -0.212 K(o=-0.75,f=-2.1) USER MOD Set 4.2: A 6 GLN : amide:sc= -0.539 K(o=-0.75,f=-3.4) USER MOD Single : A 4 ASN : amide:sc= 1.2 K(o=1.2,f=-0.43) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -87:sc= 0.463 USER MOD Single : A 11 MET CE :methyl -168:sc= -2.57! (180deg=-3.62!) USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00217) USER MOD Single : A 13 SER OG : rot -175:sc= -1.39 USER MOD Single : A 17 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.2!) USER MOD Single : A 18 CYS SG : rot -44:sc= -7.89! USER MOD Single : A 19 LYS NZ :NH3+ -146:sc= 0.401 (180deg=0.0257) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.74) USER MOD Single : A 23 MET CE :methyl -161:sc= -14.4! (180deg=-15.5!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 73:sc= 0.34 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -4.24! C(o=-4.2!,f=-6!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -150:sc= -14.2! (180deg=-17.3!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0.0719 (180deg=0.0515) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.707 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -118:sc= -8.44! (180deg=-11.3!) USER MOD Single : A 65 GLN :FLIP amide:sc= 0.507 F(o=-0.0013,f=0.51) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -123:sc= 1.22 USER MOD Single : A 86 TYR OH : rot 165:sc= -0.218 USER MOD Single : A 89 HIS : no HE2:sc= -0.661 K(o=-0.66,f=-2!) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0735 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.195 K(o=-0.2,f=-2.1!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 1.922 15.036 7.165 1.00 0.00 N ATOM 2 CA ASN A 3 1.292 14.004 6.351 1.00 0.00 C ATOM 3 C ASN A 3 1.975 12.657 6.559 1.00 0.00 C ATOM 4 O ASN A 3 2.091 11.857 5.631 1.00 0.00 O ATOM 5 CB ASN A 3 1.341 14.391 4.872 1.00 0.00 C ATOM 6 CG ASN A 3 0.178 13.819 4.085 1.00 0.00 C ATOM 7 OD1 ASN A 3 -0.864 14.458 3.941 1.00 0.00 O ATOM 8 ND2 ASN A 3 0.352 12.607 3.570 1.00 0.00 N ATOM 0 HA ASN A 3 0.251 13.916 6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.337 15.477 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.277 14.040 4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.395 12.170 3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.233 12.113 3.714 1.00 0.00 H new ATOM 15 N ASN A 4 2.425 12.414 7.786 1.00 0.00 N ATOM 16 CA ASN A 4 3.097 11.163 8.121 1.00 0.00 C ATOM 17 C ASN A 4 2.195 10.254 8.953 1.00 0.00 C ATOM 18 O ASN A 4 2.514 9.085 9.174 1.00 0.00 O ATOM 19 CB ASN A 4 4.393 11.448 8.882 1.00 0.00 C ATOM 20 CG ASN A 4 5.514 10.507 8.488 1.00 0.00 C ATOM 21 OD1 ASN A 4 6.531 10.929 7.937 1.00 0.00 O ATOM 22 ND2 ASN A 4 5.334 9.221 8.769 1.00 0.00 N ATOM 0 H ASN A 4 2.337 13.067 8.565 1.00 0.00 H new ATOM 0 HA ASN A 4 3.331 10.649 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.703 12.476 8.694 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.209 11.361 9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.054 8.540 8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.476 8.914 9.227 1.00 0.00 H new ATOM 29 N LYS A 5 1.070 10.793 9.415 1.00 0.00 N ATOM 30 CA LYS A 5 0.131 10.022 10.223 1.00 0.00 C ATOM 31 C LYS A 5 -0.818 9.217 9.341 1.00 0.00 C ATOM 32 O LYS A 5 -1.081 8.045 9.605 1.00 0.00 O ATOM 33 CB LYS A 5 -0.669 10.952 11.139 1.00 0.00 C ATOM 34 CG LYS A 5 -0.135 11.012 12.561 1.00 0.00 C ATOM 35 CD LYS A 5 -0.419 9.724 13.317 1.00 0.00 C ATOM 36 CE LYS A 5 0.745 9.336 14.214 1.00 0.00 C ATOM 37 NZ LYS A 5 0.516 9.740 15.628 1.00 0.00 N ATOM 0 H LYS A 5 0.787 11.758 9.244 1.00 0.00 H new ATOM 0 HA LYS A 5 0.705 9.326 10.834 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.665 11.956 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.707 10.620 11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.940 11.194 12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.590 11.852 13.087 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.319 9.846 13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.616 8.920 12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.897 8.258 14.165 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.658 9.804 13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.333 9.457 16.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.396 10.772 15.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.341 9.274 15.988 1.00 0.00 H new ATOM 51 N GLN A 6 -1.330 9.855 8.292 1.00 0.00 N ATOM 52 CA GLN A 6 -2.254 9.200 7.370 1.00 0.00 C ATOM 53 C GLN A 6 -1.704 7.856 6.896 1.00 0.00 C ATOM 54 O GLN A 6 -2.395 6.838 6.951 1.00 0.00 O ATOM 55 CB GLN A 6 -2.529 10.103 6.166 1.00 0.00 C ATOM 56 CG GLN A 6 -3.412 11.297 6.491 1.00 0.00 C ATOM 57 CD GLN A 6 -2.610 12.537 6.835 1.00 0.00 C ATOM 58 OE1 GLN A 6 -2.094 13.222 5.952 1.00 0.00 O ATOM 59 NE2 GLN A 6 -2.501 12.831 8.126 1.00 0.00 N ATOM 0 H GLN A 6 -1.121 10.826 8.059 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.186 9.018 7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.580 10.461 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.003 9.514 5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.057 11.510 5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.063 11.046 7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.945 12.235 8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.973 13.653 8.419 1.00 0.00 H new ATOM 68 N TYR A 7 -0.458 7.860 6.434 1.00 0.00 N ATOM 69 CA TYR A 7 0.180 6.642 5.954 1.00 0.00 C ATOM 70 C TYR A 7 0.324 5.625 7.080 1.00 0.00 C ATOM 71 O TYR A 7 0.186 4.422 6.864 1.00 0.00 O ATOM 72 CB TYR A 7 1.552 6.964 5.363 1.00 0.00 C ATOM 73 CG TYR A 7 1.495 7.480 3.943 1.00 0.00 C ATOM 74 CD1 TYR A 7 1.194 6.630 2.886 1.00 0.00 C ATOM 75 CD2 TYR A 7 1.741 8.818 3.660 1.00 0.00 C ATOM 76 CE1 TYR A 7 1.139 7.099 1.587 1.00 0.00 C ATOM 77 CE2 TYR A 7 1.688 9.294 2.363 1.00 0.00 C ATOM 78 CZ TYR A 7 1.387 8.431 1.331 1.00 0.00 C ATOM 79 OH TYR A 7 1.333 8.902 0.039 1.00 0.00 O ATOM 0 H TYR A 7 0.129 8.693 6.382 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.451 6.209 5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.043 7.707 5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.169 6.066 5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.000 5.586 3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.977 9.497 4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.903 6.425 0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.881 10.337 2.159 1.00 0.00 H new ATOM 0 HH TYR A 7 2.208 8.787 -0.388 1.00 0.00 H new ATOM 89 N GLU A 8 0.603 6.116 8.284 1.00 0.00 N ATOM 90 CA GLU A 8 0.765 5.245 9.442 1.00 0.00 C ATOM 91 C GLU A 8 -0.512 4.453 9.706 1.00 0.00 C ATOM 92 O GLU A 8 -0.461 3.292 10.111 1.00 0.00 O ATOM 93 CB GLU A 8 1.147 6.063 10.678 1.00 0.00 C ATOM 94 CG GLU A 8 2.590 5.857 11.111 1.00 0.00 C ATOM 95 CD GLU A 8 3.376 7.153 11.164 1.00 0.00 C ATOM 96 OE1 GLU A 8 3.242 7.887 12.166 1.00 0.00 O ATOM 97 OE2 GLU A 8 4.124 7.433 10.205 1.00 0.00 O ATOM 0 H GLU A 8 0.721 7.110 8.482 1.00 0.00 H new ATOM 0 HA GLU A 8 1.568 4.540 9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.984 7.121 10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.486 5.795 11.502 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.606 5.387 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.078 5.169 10.420 1.00 0.00 H new ATOM 104 N LEU A 9 -1.657 5.081 9.462 1.00 0.00 N ATOM 105 CA LEU A 9 -2.939 4.417 9.663 1.00 0.00 C ATOM 106 C LEU A 9 -3.049 3.210 8.741 1.00 0.00 C ATOM 107 O LEU A 9 -3.145 2.065 9.194 1.00 0.00 O ATOM 108 CB LEU A 9 -4.093 5.387 9.397 1.00 0.00 C ATOM 109 CG LEU A 9 -4.030 6.698 10.180 1.00 0.00 C ATOM 110 CD1 LEU A 9 -5.065 7.682 9.659 1.00 0.00 C ATOM 111 CD2 LEU A 9 -4.235 6.441 11.666 1.00 0.00 C ATOM 0 H LEU A 9 -1.724 6.042 9.127 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.999 4.082 10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.115 5.618 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.031 4.885 9.633 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.042 7.136 10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.005 8.609 10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.872 7.890 8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.061 7.254 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.187 7.385 12.209 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.210 5.980 11.824 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.455 5.773 12.031 1.00 0.00 H new ATOM 123 N PHE A 10 -3.018 3.467 7.439 1.00 0.00 N ATOM 124 CA PHE A 10 -3.102 2.390 6.469 1.00 0.00 C ATOM 125 C PHE A 10 -1.887 1.479 6.579 1.00 0.00 C ATOM 126 O PHE A 10 -1.964 0.292 6.263 1.00 0.00 O ATOM 127 CB PHE A 10 -3.230 2.925 5.045 1.00 0.00 C ATOM 128 CG PHE A 10 -3.791 1.902 4.103 1.00 0.00 C ATOM 129 CD1 PHE A 10 -3.036 0.802 3.731 1.00 0.00 C ATOM 130 CD2 PHE A 10 -5.078 2.027 3.605 1.00 0.00 C ATOM 131 CE1 PHE A 10 -3.550 -0.153 2.878 1.00 0.00 C ATOM 132 CE2 PHE A 10 -5.600 1.073 2.752 1.00 0.00 C ATOM 133 CZ PHE A 10 -4.835 -0.018 2.388 1.00 0.00 C ATOM 0 H PHE A 10 -2.936 4.401 7.037 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.001 1.815 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.872 3.806 5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.250 3.245 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.032 0.690 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.679 2.879 3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.949 -1.004 2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.605 1.180 2.371 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.241 -0.765 1.721 1.00 0.00 H new ATOM 143 N MET A 11 -0.765 2.032 7.049 1.00 0.00 N ATOM 144 CA MET A 11 0.453 1.245 7.216 1.00 0.00 C ATOM 145 C MET A 11 0.117 -0.050 7.938 1.00 0.00 C ATOM 146 O MET A 11 0.506 -1.139 7.511 1.00 0.00 O ATOM 147 CB MET A 11 1.505 2.040 7.996 1.00 0.00 C ATOM 148 CG MET A 11 2.777 1.258 8.285 1.00 0.00 C ATOM 149 SD MET A 11 4.038 1.491 7.019 1.00 0.00 S ATOM 150 CE MET A 11 3.120 1.039 5.551 1.00 0.00 C ATOM 0 H MET A 11 -0.678 3.012 7.317 1.00 0.00 H new ATOM 0 HA MET A 11 0.869 1.012 6.236 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.761 2.937 7.431 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.071 2.371 8.940 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.177 1.566 9.251 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.537 0.198 8.363 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.807 0.924 4.713 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.598 0.098 5.724 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.395 1.819 5.321 1.00 0.00 H new ATOM 160 N LYS A 12 -0.650 0.081 9.015 1.00 0.00 N ATOM 161 CA LYS A 12 -1.090 -1.072 9.778 1.00 0.00 C ATOM 162 C LYS A 12 -1.977 -1.938 8.899 1.00 0.00 C ATOM 163 O LYS A 12 -1.888 -3.165 8.911 1.00 0.00 O ATOM 164 CB LYS A 12 -1.861 -0.625 11.019 1.00 0.00 C ATOM 165 CG LYS A 12 -1.603 -1.497 12.230 1.00 0.00 C ATOM 166 CD LYS A 12 -2.494 -1.112 13.400 1.00 0.00 C ATOM 167 CE LYS A 12 -2.118 0.250 13.964 1.00 0.00 C ATOM 168 NZ LYS A 12 -0.885 0.186 14.796 1.00 0.00 N ATOM 0 H LYS A 12 -0.978 0.977 9.376 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.221 -1.645 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.590 0.404 11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.928 -0.630 10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.775 -2.541 11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.557 -1.410 12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.535 -1.098 13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.414 -1.866 14.183 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.967 0.953 13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.942 0.634 14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.682 1.127 15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.025 -0.491 15.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.085 -0.123 14.208 1.00 0.00 H new ATOM 182 N SER A 13 -2.828 -1.271 8.127 1.00 0.00 N ATOM 183 CA SER A 13 -3.741 -1.953 7.215 1.00 0.00 C ATOM 184 C SER A 13 -2.973 -2.847 6.239 1.00 0.00 C ATOM 185 O SER A 13 -3.287 -4.029 6.096 1.00 0.00 O ATOM 186 CB SER A 13 -4.586 -0.934 6.449 1.00 0.00 C ATOM 187 OG SER A 13 -5.101 0.057 7.321 1.00 0.00 O ATOM 0 H SER A 13 -2.905 -0.254 8.114 1.00 0.00 H new ATOM 0 HA SER A 13 -4.403 -2.585 7.807 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.981 -0.463 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.408 -1.443 5.945 1.00 0.00 H new ATOM 0 HG SER A 13 -5.700 0.651 6.823 1.00 0.00 H new ATOM 193 N LEU A 14 -1.955 -2.286 5.580 1.00 0.00 N ATOM 194 CA LEU A 14 -1.138 -3.046 4.636 1.00 0.00 C ATOM 195 C LEU A 14 -0.704 -4.368 5.261 1.00 0.00 C ATOM 196 O LEU A 14 -1.111 -5.443 4.821 1.00 0.00 O ATOM 197 CB LEU A 14 0.105 -2.238 4.254 1.00 0.00 C ATOM 198 CG LEU A 14 1.130 -2.967 3.389 1.00 0.00 C ATOM 199 CD1 LEU A 14 1.958 -3.938 4.212 1.00 0.00 C ATOM 200 CD2 LEU A 14 0.452 -3.689 2.249 1.00 0.00 C ATOM 0 H LEU A 14 -1.679 -1.310 5.684 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.732 -3.246 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.216 -1.341 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.597 -1.910 5.169 1.00 0.00 H new ATOM 0 HG LEU A 14 1.804 -2.217 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.678 -4.440 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.489 -3.393 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.302 -4.679 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.201 -4.201 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.253 -4.418 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.082 -2.969 1.629 1.00 0.00 H new ATOM 212 N ILE A 15 0.136 -4.272 6.293 1.00 0.00 N ATOM 213 CA ILE A 15 0.642 -5.447 6.986 1.00 0.00 C ATOM 214 C ILE A 15 -0.486 -6.393 7.352 1.00 0.00 C ATOM 215 O ILE A 15 -0.354 -7.610 7.239 1.00 0.00 O ATOM 216 CB ILE A 15 1.423 -5.070 8.256 1.00 0.00 C ATOM 217 CG1 ILE A 15 0.738 -3.920 9.011 1.00 0.00 C ATOM 218 CG2 ILE A 15 2.849 -4.711 7.885 1.00 0.00 C ATOM 219 CD1 ILE A 15 1.655 -3.180 9.965 1.00 0.00 C ATOM 0 H ILE A 15 0.479 -3.386 6.665 1.00 0.00 H new ATOM 0 HA ILE A 15 1.322 -5.947 6.297 1.00 0.00 H new ATOM 0 HB ILE A 15 1.438 -5.928 8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.335 -3.212 8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.108 -4.319 9.571 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.403 -4.444 8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.326 -5.566 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.844 -3.865 7.197 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.099 -2.384 10.460 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.038 -3.874 10.713 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.488 -2.750 9.409 1.00 0.00 H new ATOM 231 N GLU A 16 -1.604 -5.821 7.772 1.00 0.00 N ATOM 232 CA GLU A 16 -2.768 -6.604 8.133 1.00 0.00 C ATOM 233 C GLU A 16 -3.153 -7.538 6.988 1.00 0.00 C ATOM 234 O GLU A 16 -3.763 -8.584 7.205 1.00 0.00 O ATOM 235 CB GLU A 16 -3.922 -5.667 8.471 1.00 0.00 C ATOM 236 CG GLU A 16 -4.666 -6.056 9.733 1.00 0.00 C ATOM 237 CD GLU A 16 -5.585 -7.244 9.529 1.00 0.00 C ATOM 238 OE1 GLU A 16 -6.074 -7.428 8.395 1.00 0.00 O ATOM 239 OE2 GLU A 16 -5.814 -7.991 10.504 1.00 0.00 O ATOM 0 H GLU A 16 -1.726 -4.813 7.870 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.537 -7.214 9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.536 -4.654 8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.623 -5.650 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.946 -6.290 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.251 -5.205 10.082 1.00 0.00 H new ATOM 246 N ASN A 17 -2.779 -7.152 5.769 1.00 0.00 N ATOM 247 CA ASN A 17 -3.069 -7.951 4.586 1.00 0.00 C ATOM 248 C ASN A 17 -2.082 -9.100 4.457 1.00 0.00 C ATOM 249 O ASN A 17 -2.474 -10.245 4.250 1.00 0.00 O ATOM 250 CB ASN A 17 -3.035 -7.080 3.340 1.00 0.00 C ATOM 251 CG ASN A 17 -3.386 -7.848 2.080 1.00 0.00 C ATOM 252 OD1 ASN A 17 -4.528 -7.820 1.621 1.00 0.00 O ATOM 253 ND2 ASN A 17 -2.404 -8.540 1.514 1.00 0.00 N ATOM 0 H ASN A 17 -2.273 -6.287 5.578 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.069 -8.371 4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.732 -6.251 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.041 -6.647 3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.582 -9.076 0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.472 -8.535 1.928 1.00 0.00 H new ATOM 260 N CYS A 18 -0.798 -8.802 4.609 1.00 0.00 N ATOM 261 CA CYS A 18 0.210 -9.850 4.537 1.00 0.00 C ATOM 262 C CYS A 18 0.084 -10.735 5.768 1.00 0.00 C ATOM 263 O CYS A 18 0.377 -11.923 5.719 1.00 0.00 O ATOM 264 CB CYS A 18 1.645 -9.303 4.390 1.00 0.00 C ATOM 265 SG CYS A 18 1.804 -7.502 4.402 1.00 0.00 S ATOM 0 H CYS A 18 -0.436 -7.864 4.779 1.00 0.00 H new ATOM 0 HA CYS A 18 0.027 -10.433 3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.253 -9.708 5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.064 -9.680 3.457 1.00 0.00 H new ATOM 0 HG CYS A 18 0.879 -6.980 3.653 1.00 0.00 H new ATOM 271 N LYS A 19 -0.404 -10.156 6.862 1.00 0.00 N ATOM 272 CA LYS A 19 -0.620 -10.909 8.090 1.00 0.00 C ATOM 273 C LYS A 19 -1.922 -11.689 7.996 1.00 0.00 C ATOM 274 O LYS A 19 -2.126 -12.665 8.717 1.00 0.00 O ATOM 275 CB LYS A 19 -0.640 -9.976 9.304 1.00 0.00 C ATOM 276 CG LYS A 19 0.276 -10.426 10.431 1.00 0.00 C ATOM 277 CD LYS A 19 0.952 -9.244 11.107 1.00 0.00 C ATOM 278 CE LYS A 19 2.050 -8.655 10.234 1.00 0.00 C ATOM 279 NZ LYS A 19 3.388 -9.213 10.573 1.00 0.00 N ATOM 0 H LYS A 19 -0.656 -9.169 6.921 1.00 0.00 H new ATOM 0 HA LYS A 19 0.204 -11.610 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.348 -8.975 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.660 -9.906 9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.300 -10.987 11.167 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.034 -11.103 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.210 -8.477 11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.375 -9.562 12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.828 -8.856 9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.067 -7.572 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.114 -8.480 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.392 -9.529 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.595 -10.021 9.952 1.00 0.00 H new ATOM 293 N LYS A 20 -2.794 -11.269 7.083 1.00 0.00 N ATOM 294 CA LYS A 20 -4.059 -11.952 6.882 1.00 0.00 C ATOM 295 C LYS A 20 -4.012 -12.798 5.614 1.00 0.00 C ATOM 296 O LYS A 20 -4.938 -13.555 5.324 1.00 0.00 O ATOM 297 CB LYS A 20 -5.224 -10.951 6.830 1.00 0.00 C ATOM 298 CG LYS A 20 -5.303 -10.144 5.536 1.00 0.00 C ATOM 299 CD LYS A 20 -6.511 -10.542 4.702 1.00 0.00 C ATOM 300 CE LYS A 20 -6.881 -9.457 3.705 1.00 0.00 C ATOM 301 NZ LYS A 20 -7.643 -8.350 4.346 1.00 0.00 N ATOM 0 H LYS A 20 -2.645 -10.463 6.476 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.227 -12.614 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.160 -11.494 6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.133 -10.262 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.357 -9.081 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.393 -10.296 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.298 -11.469 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.359 -10.739 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.975 -9.058 3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.477 -9.890 2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.876 -7.630 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.521 -8.726 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.065 -7.919 5.096 1.00 0.00 H new ATOM 315 N ARG A 21 -2.912 -12.680 4.875 1.00 0.00 N ATOM 316 CA ARG A 21 -2.722 -13.446 3.656 1.00 0.00 C ATOM 317 C ARG A 21 -1.657 -14.521 3.871 1.00 0.00 C ATOM 318 O ARG A 21 -1.142 -15.099 2.915 1.00 0.00 O ATOM 319 CB ARG A 21 -2.318 -12.523 2.507 1.00 0.00 C ATOM 320 CG ARG A 21 -2.526 -13.138 1.134 1.00 0.00 C ATOM 321 CD ARG A 21 -1.202 -13.377 0.429 1.00 0.00 C ATOM 322 NE ARG A 21 -1.313 -14.391 -0.618 1.00 0.00 N ATOM 323 CZ ARG A 21 -0.559 -14.415 -1.717 1.00 0.00 C ATOM 324 NH1 ARG A 21 0.367 -13.485 -1.921 1.00 0.00 N ATOM 325 NH2 ARG A 21 -0.731 -15.375 -2.615 1.00 0.00 N ATOM 0 H ARG A 21 -2.138 -12.057 5.104 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.663 -13.931 3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.893 -11.600 2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.268 -12.253 2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.063 -14.081 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.149 -12.479 0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.850 -12.442 -0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.454 -13.689 1.158 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.011 -15.126 -0.500 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.506 -12.744 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.939 -13.512 -2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.439 -16.093 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.155 -15.395 -3.457 1.00 0.00 H new ATOM 339 N ASN A 22 -1.340 -14.781 5.144 1.00 0.00 N ATOM 340 CA ASN A 22 -0.350 -15.782 5.521 1.00 0.00 C ATOM 341 C ASN A 22 1.062 -15.300 5.240 1.00 0.00 C ATOM 342 O ASN A 22 1.894 -16.027 4.698 1.00 0.00 O ATOM 343 CB ASN A 22 -0.629 -17.099 4.811 1.00 0.00 C ATOM 344 CG ASN A 22 0.375 -18.183 5.159 1.00 0.00 C ATOM 345 OD1 ASN A 22 1.019 -18.755 4.279 1.00 0.00 O ATOM 346 ND2 ASN A 22 0.512 -18.471 6.448 1.00 0.00 N ATOM 0 H ASN A 22 -1.765 -14.301 5.937 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.430 -15.946 6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.630 -17.441 5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.619 -16.934 3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.171 -19.191 6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.042 -17.972 7.144 1.00 0.00 H new ATOM 353 N MET A 23 1.323 -14.069 5.642 1.00 0.00 N ATOM 354 CA MET A 23 2.639 -13.457 5.475 1.00 0.00 C ATOM 355 C MET A 23 3.258 -13.740 4.108 1.00 0.00 C ATOM 356 O MET A 23 4.275 -14.426 4.002 1.00 0.00 O ATOM 357 CB MET A 23 3.572 -13.938 6.582 1.00 0.00 C ATOM 358 CG MET A 23 4.601 -12.906 7.010 1.00 0.00 C ATOM 359 SD MET A 23 3.975 -11.798 8.286 1.00 0.00 S ATOM 360 CE MET A 23 2.395 -11.348 7.577 1.00 0.00 C ATOM 0 H MET A 23 0.636 -13.464 6.092 1.00 0.00 H new ATOM 0 HA MET A 23 2.503 -12.378 5.540 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.975 -14.223 7.449 1.00 0.00 H new ATOM 0 HB3 MET A 23 4.090 -14.835 6.243 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.490 -13.416 7.380 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.907 -12.321 6.143 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.032 -10.435 8.048 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.511 -11.183 6.506 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.679 -12.152 7.745 1.00 0.00 H new ATOM 370 N PRO A 24 2.656 -13.192 3.044 1.00 0.00 N ATOM 371 CA PRO A 24 3.146 -13.356 1.673 1.00 0.00 C ATOM 372 C PRO A 24 4.405 -12.538 1.385 1.00 0.00 C ATOM 373 O PRO A 24 4.683 -12.198 0.235 1.00 0.00 O ATOM 374 CB PRO A 24 1.985 -12.839 0.827 1.00 0.00 C ATOM 375 CG PRO A 24 1.331 -11.823 1.698 1.00 0.00 C ATOM 376 CD PRO A 24 1.445 -12.363 3.098 1.00 0.00 C ATOM 0 HA PRO A 24 3.430 -14.389 1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.336 -12.399 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.296 -13.641 0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.823 -10.854 1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.288 -11.678 1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.538 -11.562 3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.569 -12.949 3.376 1.00 0.00 H new ATOM 384 N LEU A 25 5.163 -12.230 2.429 1.00 0.00 N ATOM 385 CA LEU A 25 6.392 -11.457 2.283 1.00 0.00 C ATOM 386 C LEU A 25 7.439 -11.905 3.300 1.00 0.00 C ATOM 387 O LEU A 25 8.618 -12.042 2.974 1.00 0.00 O ATOM 388 CB LEU A 25 6.119 -9.948 2.435 1.00 0.00 C ATOM 389 CG LEU A 25 4.759 -9.570 3.039 1.00 0.00 C ATOM 390 CD1 LEU A 25 4.710 -9.937 4.515 1.00 0.00 C ATOM 391 CD2 LEU A 25 4.479 -8.080 2.848 1.00 0.00 C ATOM 0 H LEU A 25 4.949 -12.503 3.388 1.00 0.00 H new ATOM 0 HA LEU A 25 6.779 -11.638 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.903 -9.517 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.200 -9.483 1.453 1.00 0.00 H new ATOM 0 HG LEU A 25 3.985 -10.133 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.739 -9.662 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.861 -11.011 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.495 -9.402 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.511 -7.833 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.257 -7.497 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.469 -7.845 1.784 1.00 0.00 H new ATOM 403 N GLN A 26 7.001 -12.120 4.537 1.00 0.00 N ATOM 404 CA GLN A 26 7.895 -12.540 5.614 1.00 0.00 C ATOM 405 C GLN A 26 8.862 -11.416 5.975 1.00 0.00 C ATOM 406 O GLN A 26 9.834 -11.625 6.701 1.00 0.00 O ATOM 407 CB GLN A 26 8.673 -13.795 5.207 1.00 0.00 C ATOM 408 CG GLN A 26 8.338 -15.016 6.047 1.00 0.00 C ATOM 409 CD GLN A 26 8.635 -16.318 5.329 1.00 0.00 C ATOM 410 OE1 GLN A 26 9.776 -16.589 4.955 1.00 0.00 O ATOM 411 NE2 GLN A 26 7.604 -17.133 5.131 1.00 0.00 N ATOM 0 H GLN A 26 6.027 -12.010 4.820 1.00 0.00 H new ATOM 0 HA GLN A 26 7.289 -12.774 6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.467 -14.017 4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.741 -13.592 5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.907 -14.980 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.283 -14.987 6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.675 -16.868 5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.742 -18.023 4.652 1.00 0.00 H new ATOM 420 N SER A 27 8.583 -10.225 5.450 1.00 0.00 N ATOM 421 CA SER A 27 9.405 -9.046 5.683 1.00 0.00 C ATOM 422 C SER A 27 9.081 -7.992 4.633 1.00 0.00 C ATOM 423 O SER A 27 8.907 -8.315 3.458 1.00 0.00 O ATOM 424 CB SER A 27 10.890 -9.404 5.618 1.00 0.00 C ATOM 425 OG SER A 27 11.473 -9.408 6.910 1.00 0.00 O ATOM 0 H SER A 27 7.777 -10.053 4.849 1.00 0.00 H new ATOM 0 HA SER A 27 9.189 -8.654 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.011 -10.385 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.412 -8.688 4.983 1.00 0.00 H new ATOM 0 HG SER A 27 11.167 -10.197 7.405 1.00 0.00 H new ATOM 431 N ILE A 28 9.001 -6.736 5.049 1.00 0.00 N ATOM 432 CA ILE A 28 8.698 -5.664 4.115 1.00 0.00 C ATOM 433 C ILE A 28 9.870 -5.457 3.167 1.00 0.00 C ATOM 434 O ILE A 28 11.017 -5.414 3.608 1.00 0.00 O ATOM 435 CB ILE A 28 8.395 -4.318 4.818 1.00 0.00 C ATOM 436 CG1 ILE A 28 8.020 -4.511 6.288 1.00 0.00 C ATOM 437 CG2 ILE A 28 7.286 -3.579 4.086 1.00 0.00 C ATOM 438 CD1 ILE A 28 6.950 -5.560 6.516 1.00 0.00 C ATOM 0 H ILE A 28 9.140 -6.438 6.014 1.00 0.00 H new ATOM 0 HA ILE A 28 7.803 -5.970 3.574 1.00 0.00 H new ATOM 0 HB ILE A 28 9.307 -3.722 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.913 -4.790 6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.674 -3.560 6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.083 -2.635 4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.596 -3.383 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.383 -4.189 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.739 -5.639 7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.041 -5.274 5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.299 -6.523 6.143 1.00 0.00 H new ATOM 450 N PRO A 29 9.609 -5.321 1.855 1.00 0.00 N ATOM 451 CA PRO A 29 10.671 -5.106 0.871 1.00 0.00 C ATOM 452 C PRO A 29 11.412 -3.804 1.144 1.00 0.00 C ATOM 453 O PRO A 29 11.303 -2.844 0.383 1.00 0.00 O ATOM 454 CB PRO A 29 9.928 -5.034 -0.470 1.00 0.00 C ATOM 455 CG PRO A 29 8.591 -5.641 -0.211 1.00 0.00 C ATOM 456 CD PRO A 29 8.278 -5.356 1.230 1.00 0.00 C ATOM 0 HA PRO A 29 11.425 -5.893 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.833 -4.004 -0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.464 -5.579 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.834 -5.211 -0.867 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.606 -6.714 -0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.751 -4.409 1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.647 -6.130 1.667 1.00 0.00 H new ATOM 464 N GLU A 30 12.145 -3.776 2.252 1.00 0.00 N ATOM 465 CA GLU A 30 12.891 -2.592 2.656 1.00 0.00 C ATOM 466 C GLU A 30 13.999 -2.268 1.653 1.00 0.00 C ATOM 467 O GLU A 30 15.184 -2.321 1.987 1.00 0.00 O ATOM 468 CB GLU A 30 13.495 -2.801 4.046 1.00 0.00 C ATOM 469 CG GLU A 30 12.493 -2.641 5.177 1.00 0.00 C ATOM 470 CD GLU A 30 12.960 -3.291 6.465 1.00 0.00 C ATOM 471 OE1 GLU A 30 13.348 -4.478 6.425 1.00 0.00 O ATOM 472 OE2 GLU A 30 12.938 -2.613 7.514 1.00 0.00 O ATOM 0 H GLU A 30 12.238 -4.567 2.890 1.00 0.00 H new ATOM 0 HA GLU A 30 12.199 -1.751 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.931 -3.799 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.309 -2.090 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.316 -1.580 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.540 -3.078 4.878 1.00 0.00 H new ATOM 479 N ILE A 31 13.614 -1.937 0.423 1.00 0.00 N ATOM 480 CA ILE A 31 14.584 -1.612 -0.616 1.00 0.00 C ATOM 481 C ILE A 31 15.210 -0.248 -0.367 1.00 0.00 C ATOM 482 O ILE A 31 14.575 0.647 0.191 1.00 0.00 O ATOM 483 CB ILE A 31 13.945 -1.626 -2.023 1.00 0.00 C ATOM 484 CG1 ILE A 31 12.957 -2.787 -2.162 1.00 0.00 C ATOM 485 CG2 ILE A 31 15.019 -1.719 -3.100 1.00 0.00 C ATOM 486 CD1 ILE A 31 13.449 -4.090 -1.564 1.00 0.00 C ATOM 0 H ILE A 31 12.640 -1.887 0.123 1.00 0.00 H new ATOM 0 HA ILE A 31 15.356 -2.381 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 31 13.400 -0.691 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.018 -2.511 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.742 -2.943 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 31 14.549 -1.728 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.686 -0.860 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 31 15.592 -2.636 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.693 -4.863 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 31 14.372 -4.392 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.637 -3.954 -0.499 1.00 0.00 H new ATOM 498 N GLY A 32 16.461 -0.099 -0.779 1.00 0.00 N ATOM 499 CA GLY A 32 17.162 1.157 -0.588 1.00 0.00 C ATOM 500 C GLY A 32 17.718 1.300 0.814 1.00 0.00 C ATOM 501 O GLY A 32 18.916 1.515 0.999 1.00 0.00 O ATOM 0 H GLY A 32 17.005 -0.826 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.977 1.228 -1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.482 1.984 -0.793 1.00 0.00 H new ATOM 505 N ASN A 33 16.842 1.179 1.803 1.00 0.00 N ATOM 506 CA ASN A 33 17.240 1.292 3.201 1.00 0.00 C ATOM 507 C ASN A 33 16.149 0.754 4.119 1.00 0.00 C ATOM 508 O ASN A 33 16.399 -0.108 4.961 1.00 0.00 O ATOM 509 CB ASN A 33 17.551 2.750 3.548 1.00 0.00 C ATOM 510 CG ASN A 33 19.021 2.970 3.849 1.00 0.00 C ATOM 511 OD1 ASN A 33 19.794 3.362 2.974 1.00 0.00 O ATOM 512 ND2 ASN A 33 19.415 2.716 5.091 1.00 0.00 N ATOM 0 H ASN A 33 15.847 1.002 1.662 1.00 0.00 H new ATOM 0 HA ASN A 33 18.139 0.694 3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.253 3.390 2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.957 3.050 4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 33 20.393 2.844 5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.740 2.393 5.784 1.00 0.00 H new ATOM 519 N ARG A 34 14.938 1.269 3.947 1.00 0.00 N ATOM 520 CA ARG A 34 13.798 0.846 4.755 1.00 0.00 C ATOM 521 C ARG A 34 12.542 1.626 4.374 1.00 0.00 C ATOM 522 O ARG A 34 12.578 2.484 3.493 1.00 0.00 O ATOM 523 CB ARG A 34 14.101 1.035 6.243 1.00 0.00 C ATOM 524 CG ARG A 34 14.575 2.435 6.590 1.00 0.00 C ATOM 525 CD ARG A 34 13.412 3.409 6.662 1.00 0.00 C ATOM 526 NE ARG A 34 13.648 4.475 7.632 1.00 0.00 N ATOM 527 CZ ARG A 34 13.521 4.322 8.948 1.00 0.00 C ATOM 528 NH1 ARG A 34 13.166 3.148 9.455 1.00 0.00 N ATOM 529 NH2 ARG A 34 13.752 5.346 9.759 1.00 0.00 N ATOM 0 H ARG A 34 14.718 1.983 3.253 1.00 0.00 H new ATOM 0 HA ARG A 34 13.619 -0.212 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.204 0.810 6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.863 0.316 6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.097 2.418 7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.291 2.775 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.244 3.846 5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.504 2.869 6.931 1.00 0.00 H new ATOM 0 HE ARG A 34 13.927 5.391 7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.989 2.357 8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.070 3.036 10.464 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.027 6.250 9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.655 5.230 10.768 1.00 0.00 H new ATOM 543 N LYS A 35 11.431 1.318 5.039 1.00 0.00 N ATOM 544 CA LYS A 35 10.160 1.986 4.765 1.00 0.00 C ATOM 545 C LYS A 35 9.826 1.917 3.279 1.00 0.00 C ATOM 546 O LYS A 35 10.193 2.803 2.506 1.00 0.00 O ATOM 547 CB LYS A 35 10.209 3.445 5.226 1.00 0.00 C ATOM 548 CG LYS A 35 9.065 3.827 6.152 1.00 0.00 C ATOM 549 CD LYS A 35 9.110 3.035 7.450 1.00 0.00 C ATOM 550 CE LYS A 35 8.097 1.901 7.446 1.00 0.00 C ATOM 551 NZ LYS A 35 7.522 1.665 8.799 1.00 0.00 N ATOM 0 H LYS A 35 11.385 0.610 5.772 1.00 0.00 H new ATOM 0 HA LYS A 35 9.378 1.470 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.155 3.625 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.190 4.095 4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.115 4.893 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.114 3.650 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.111 2.629 7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.910 3.700 8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.294 2.134 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.575 0.988 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.836 0.884 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.284 1.418 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.043 2.528 9.128 1.00 0.00 H new ATOM 565 N ILE A 36 9.145 0.848 2.884 1.00 0.00 N ATOM 566 CA ILE A 36 8.779 0.642 1.498 1.00 0.00 C ATOM 567 C ILE A 36 7.661 1.580 1.041 1.00 0.00 C ATOM 568 O ILE A 36 7.346 1.638 -0.147 1.00 0.00 O ATOM 569 CB ILE A 36 8.357 -0.822 1.276 1.00 0.00 C ATOM 570 CG1 ILE A 36 6.940 -1.089 1.802 1.00 0.00 C ATOM 571 CG2 ILE A 36 9.349 -1.758 1.947 1.00 0.00 C ATOM 572 CD1 ILE A 36 6.693 -0.604 3.216 1.00 0.00 C ATOM 0 H ILE A 36 8.835 0.108 3.514 1.00 0.00 H new ATOM 0 HA ILE A 36 9.659 0.870 0.897 1.00 0.00 H new ATOM 0 HB ILE A 36 8.353 -1.008 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.223 -0.609 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.746 -2.161 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.042 -2.791 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.341 -1.603 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.377 -1.552 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.668 -0.834 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.383 -1.102 3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.851 0.473 3.264 1.00 0.00 H new ATOM 584 N ASN A 37 7.061 2.312 1.981 1.00 0.00 N ATOM 585 CA ASN A 37 5.980 3.238 1.649 1.00 0.00 C ATOM 586 C ASN A 37 4.968 2.570 0.715 1.00 0.00 C ATOM 587 O ASN A 37 4.515 3.169 -0.260 1.00 0.00 O ATOM 588 CB ASN A 37 6.559 4.500 1.002 1.00 0.00 C ATOM 589 CG ASN A 37 6.370 5.732 1.866 1.00 0.00 C ATOM 590 OD1 ASN A 37 5.566 5.735 2.798 1.00 0.00 O ATOM 591 ND2 ASN A 37 7.114 6.789 1.559 1.00 0.00 N ATOM 0 H ASN A 37 7.304 2.282 2.971 1.00 0.00 H new ATOM 0 HA ASN A 37 5.461 3.518 2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.622 4.352 0.812 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.082 4.661 0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.031 7.647 2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.768 6.743 0.778 1.00 0.00 H new ATOM 598 N LEU A 38 4.642 1.314 1.024 1.00 0.00 N ATOM 599 CA LEU A 38 3.706 0.508 0.231 1.00 0.00 C ATOM 600 C LEU A 38 2.615 1.340 -0.446 1.00 0.00 C ATOM 601 O LEU A 38 2.414 1.238 -1.656 1.00 0.00 O ATOM 602 CB LEU A 38 3.060 -0.564 1.112 1.00 0.00 C ATOM 603 CG LEU A 38 2.965 -1.954 0.477 1.00 0.00 C ATOM 604 CD1 LEU A 38 2.270 -1.882 -0.873 1.00 0.00 C ATOM 605 CD2 LEU A 38 4.350 -2.567 0.333 1.00 0.00 C ATOM 0 H LEU A 38 5.020 0.823 1.834 1.00 0.00 H new ATOM 0 HA LEU A 38 4.292 0.045 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.629 -0.643 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.056 -0.235 1.381 1.00 0.00 H new ATOM 0 HG LEU A 38 2.371 -2.591 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.213 -2.880 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.263 -1.485 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.835 -1.229 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.265 -3.555 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.966 -1.929 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.812 -2.657 1.316 1.00 0.00 H new ATOM 617 N PHE A 39 1.899 2.143 0.331 1.00 0.00 N ATOM 618 CA PHE A 39 0.824 2.958 -0.223 1.00 0.00 C ATOM 619 C PHE A 39 1.373 4.122 -1.051 1.00 0.00 C ATOM 620 O PHE A 39 0.827 4.448 -2.100 1.00 0.00 O ATOM 621 CB PHE A 39 -0.094 3.473 0.892 1.00 0.00 C ATOM 622 CG PHE A 39 -1.537 3.064 0.729 1.00 0.00 C ATOM 623 CD1 PHE A 39 -1.886 1.731 0.549 1.00 0.00 C ATOM 624 CD2 PHE A 39 -2.545 4.015 0.756 1.00 0.00 C ATOM 625 CE1 PHE A 39 -3.216 1.356 0.399 1.00 0.00 C ATOM 626 CE2 PHE A 39 -3.870 3.648 0.608 1.00 0.00 C ATOM 627 CZ PHE A 39 -4.205 2.320 0.429 1.00 0.00 C ATOM 0 H PHE A 39 2.040 2.248 1.336 1.00 0.00 H new ATOM 0 HA PHE A 39 0.238 2.325 -0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.272 3.105 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.036 4.561 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.114 0.976 0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.292 5.056 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.475 0.317 0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.644 4.401 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.240 2.035 0.312 1.00 0.00 H new ATOM 637 N TYR A 40 2.454 4.744 -0.582 1.00 0.00 N ATOM 638 CA TYR A 40 3.063 5.873 -1.296 1.00 0.00 C ATOM 639 C TYR A 40 3.304 5.539 -2.769 1.00 0.00 C ATOM 640 O TYR A 40 2.556 5.973 -3.655 1.00 0.00 O ATOM 641 CB TYR A 40 4.379 6.271 -0.628 1.00 0.00 C ATOM 642 CG TYR A 40 4.481 7.748 -0.321 1.00 0.00 C ATOM 643 CD1 TYR A 40 4.480 8.690 -1.341 1.00 0.00 C ATOM 644 CD2 TYR A 40 4.579 8.199 0.989 1.00 0.00 C ATOM 645 CE1 TYR A 40 4.573 10.041 -1.065 1.00 0.00 C ATOM 646 CE2 TYR A 40 4.672 9.548 1.274 1.00 0.00 C ATOM 647 CZ TYR A 40 4.668 10.464 0.244 1.00 0.00 C ATOM 648 OH TYR A 40 4.761 11.809 0.524 1.00 0.00 O ATOM 0 H TYR A 40 2.927 4.489 0.285 1.00 0.00 H new ATOM 0 HA TYR A 40 2.367 6.711 -1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.491 5.708 0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.207 5.986 -1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.405 8.362 -2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.583 7.484 1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.571 10.761 -1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.747 9.883 2.298 1.00 0.00 H new ATOM 0 HH TYR A 40 4.820 11.938 1.494 1.00 0.00 H new ATOM 658 N LEU A 41 4.343 4.749 -3.039 1.00 0.00 N ATOM 659 CA LEU A 41 4.644 4.359 -4.410 1.00 0.00 C ATOM 660 C LEU A 41 3.372 3.884 -5.092 1.00 0.00 C ATOM 661 O LEU A 41 3.214 4.014 -6.302 1.00 0.00 O ATOM 662 CB LEU A 41 5.701 3.262 -4.448 1.00 0.00 C ATOM 663 CG LEU A 41 5.201 1.871 -4.062 1.00 0.00 C ATOM 664 CD1 LEU A 41 6.261 0.828 -4.391 1.00 0.00 C ATOM 665 CD2 LEU A 41 4.868 1.848 -2.577 1.00 0.00 C ATOM 0 H LEU A 41 4.980 4.373 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 41 5.041 5.225 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.119 3.215 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.514 3.538 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 41 4.301 1.635 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.897 -0.161 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.473 0.849 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.173 1.048 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.511 0.856 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.761 2.087 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.093 2.585 -2.367 1.00 0.00 H new ATOM 677 N TYR A 42 2.448 3.363 -4.297 1.00 0.00 N ATOM 678 CA TYR A 42 1.187 2.919 -4.832 1.00 0.00 C ATOM 679 C TYR A 42 0.393 4.147 -5.276 1.00 0.00 C ATOM 680 O TYR A 42 -0.146 4.188 -6.378 1.00 0.00 O ATOM 681 CB TYR A 42 0.418 2.079 -3.799 1.00 0.00 C ATOM 682 CG TYR A 42 -1.095 2.229 -3.870 1.00 0.00 C ATOM 683 CD1 TYR A 42 -1.718 2.449 -5.085 1.00 0.00 C ATOM 684 CD2 TYR A 42 -1.893 2.164 -2.738 1.00 0.00 C ATOM 685 CE1 TYR A 42 -3.070 2.604 -5.190 1.00 0.00 C ATOM 686 CE2 TYR A 42 -3.268 2.317 -2.829 1.00 0.00 C ATOM 687 CZ TYR A 42 -3.851 2.540 -4.060 1.00 0.00 C ATOM 688 OH TYR A 42 -5.215 2.693 -4.157 1.00 0.00 O ATOM 0 H TYR A 42 2.554 3.242 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 42 1.352 2.272 -5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.674 1.029 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.752 2.358 -2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.115 2.500 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.438 1.992 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.524 2.776 -6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.880 2.262 -1.941 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.639 1.812 -4.228 1.00 0.00 H new ATOM 698 N MET A 43 0.342 5.167 -4.433 1.00 0.00 N ATOM 699 CA MET A 43 -0.368 6.388 -4.789 1.00 0.00 C ATOM 700 C MET A 43 -0.056 6.766 -6.232 1.00 0.00 C ATOM 701 O MET A 43 -0.875 7.378 -6.916 1.00 0.00 O ATOM 702 CB MET A 43 -0.006 7.524 -3.836 1.00 0.00 C ATOM 703 CG MET A 43 -1.050 7.751 -2.759 1.00 0.00 C ATOM 704 SD MET A 43 -1.207 6.357 -1.623 1.00 0.00 S ATOM 705 CE MET A 43 -2.037 5.150 -2.657 1.00 0.00 C ATOM 0 H MET A 43 0.777 5.176 -3.510 1.00 0.00 H new ATOM 0 HA MET A 43 -1.440 6.210 -4.699 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.952 7.304 -3.365 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.124 8.443 -4.408 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.792 8.646 -2.193 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.015 7.939 -3.230 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.657 4.504 -2.036 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.665 5.664 -3.385 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.295 4.547 -3.180 1.00 0.00 H new ATOM 715 N LEU A 44 1.128 6.367 -6.695 1.00 0.00 N ATOM 716 CA LEU A 44 1.527 6.638 -8.069 1.00 0.00 C ATOM 717 C LEU A 44 0.971 5.584 -9.031 1.00 0.00 C ATOM 718 O LEU A 44 0.507 5.924 -10.118 1.00 0.00 O ATOM 719 CB LEU A 44 3.046 6.701 -8.218 1.00 0.00 C ATOM 720 CG LEU A 44 3.853 6.805 -6.927 1.00 0.00 C ATOM 721 CD1 LEU A 44 5.315 7.078 -7.244 1.00 0.00 C ATOM 722 CD2 LEU A 44 3.292 7.891 -6.018 1.00 0.00 C ATOM 0 H LEU A 44 1.819 5.860 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 44 1.109 7.612 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.373 5.810 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.292 7.559 -8.844 1.00 0.00 H new ATOM 0 HG LEU A 44 3.779 5.854 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.881 7.150 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.714 6.265 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.399 8.015 -7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.885 7.944 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.330 8.851 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.258 7.656 -5.765 1.00 0.00 H new ATOM 734 N VAL A 45 0.999 4.301 -8.640 1.00 0.00 N ATOM 735 CA VAL A 45 0.470 3.251 -9.519 1.00 0.00 C ATOM 736 C VAL A 45 -0.945 3.600 -9.910 1.00 0.00 C ATOM 737 O VAL A 45 -1.424 3.209 -10.969 1.00 0.00 O ATOM 738 CB VAL A 45 0.473 1.834 -8.899 1.00 0.00 C ATOM 739 CG1 VAL A 45 0.001 1.848 -7.485 1.00 0.00 C ATOM 740 CG2 VAL A 45 -0.410 0.905 -9.701 1.00 0.00 C ATOM 0 H VAL A 45 1.371 3.973 -7.748 1.00 0.00 H new ATOM 0 HA VAL A 45 1.138 3.216 -10.379 1.00 0.00 H new ATOM 0 HB VAL A 45 1.503 1.479 -8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.018 0.834 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.656 2.484 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.017 2.237 -7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.397 -0.088 -9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.431 1.287 -9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.040 0.845 -10.725 1.00 0.00 H new ATOM 750 N GLN A 46 -1.596 4.357 -9.040 1.00 0.00 N ATOM 751 CA GLN A 46 -2.964 4.805 -9.284 1.00 0.00 C ATOM 752 C GLN A 46 -3.104 5.249 -10.736 1.00 0.00 C ATOM 753 O GLN A 46 -4.159 5.089 -11.350 1.00 0.00 O ATOM 754 CB GLN A 46 -3.334 5.956 -8.347 1.00 0.00 C ATOM 755 CG GLN A 46 -3.913 5.498 -7.018 1.00 0.00 C ATOM 756 CD GLN A 46 -5.106 6.329 -6.587 1.00 0.00 C ATOM 757 OE1 GLN A 46 -6.252 5.891 -6.688 1.00 0.00 O ATOM 758 NE2 GLN A 46 -4.841 7.537 -6.103 1.00 0.00 N ATOM 0 H GLN A 46 -1.200 4.676 -8.156 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.643 3.975 -9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.446 6.559 -8.158 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.057 6.601 -8.846 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.212 4.453 -7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.141 5.552 -6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.876 7.860 -6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.603 8.142 -5.797 1.00 0.00 H new ATOM 767 N LYS A 47 -2.007 5.777 -11.288 1.00 0.00 N ATOM 768 CA LYS A 47 -1.978 6.208 -12.679 1.00 0.00 C ATOM 769 C LYS A 47 -2.554 5.098 -13.550 1.00 0.00 C ATOM 770 O LYS A 47 -3.212 5.356 -14.557 1.00 0.00 O ATOM 771 CB LYS A 47 -0.531 6.583 -13.077 1.00 0.00 C ATOM 772 CG LYS A 47 0.005 5.972 -14.377 1.00 0.00 C ATOM 773 CD LYS A 47 -0.869 6.311 -15.576 1.00 0.00 C ATOM 774 CE LYS A 47 -1.231 5.068 -16.374 1.00 0.00 C ATOM 775 NZ LYS A 47 -2.334 5.329 -17.340 1.00 0.00 N ATOM 0 H LYS A 47 -1.129 5.914 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.590 7.098 -12.823 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.471 7.668 -13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.133 6.289 -12.264 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.018 6.332 -14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.066 4.889 -14.269 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.780 6.803 -15.235 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.346 7.018 -16.220 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.352 4.714 -16.913 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.528 4.272 -15.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.437 4.514 -17.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.223 5.476 -16.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.114 6.179 -17.897 1.00 0.00 H new ATOM 789 N PHE A 48 -2.334 3.858 -13.124 1.00 0.00 N ATOM 790 CA PHE A 48 -2.855 2.715 -13.833 1.00 0.00 C ATOM 791 C PHE A 48 -4.035 2.109 -13.087 1.00 0.00 C ATOM 792 O PHE A 48 -5.046 1.752 -13.693 1.00 0.00 O ATOM 793 CB PHE A 48 -1.761 1.685 -14.069 1.00 0.00 C ATOM 794 CG PHE A 48 -1.560 1.422 -15.534 1.00 0.00 C ATOM 795 CD1 PHE A 48 -2.638 1.107 -16.345 1.00 0.00 C ATOM 796 CD2 PHE A 48 -0.306 1.519 -16.104 1.00 0.00 C ATOM 797 CE1 PHE A 48 -2.465 0.888 -17.698 1.00 0.00 C ATOM 798 CE2 PHE A 48 -0.126 1.302 -17.457 1.00 0.00 C ATOM 799 CZ PHE A 48 -1.207 0.985 -18.255 1.00 0.00 C ATOM 0 H PHE A 48 -1.796 3.628 -12.288 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.214 3.048 -14.807 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.827 2.037 -13.630 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.020 0.755 -13.563 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.626 1.032 -15.914 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.544 1.767 -15.485 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.314 0.641 -18.319 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.860 1.380 -17.890 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.068 0.813 -19.312 1.00 0.00 H new ATOM 809 N GLY A 49 -3.905 1.995 -11.771 1.00 0.00 N ATOM 810 CA GLY A 49 -4.969 1.430 -10.970 1.00 0.00 C ATOM 811 C GLY A 49 -4.853 -0.067 -10.886 1.00 0.00 C ATOM 812 O GLY A 49 -5.129 -0.669 -9.849 1.00 0.00 O ATOM 0 H GLY A 49 -3.080 2.285 -11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.938 1.856 -9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.934 1.699 -11.401 1.00 0.00 H new ATOM 816 N GLY A 50 -4.417 -0.664 -11.984 1.00 0.00 N ATOM 817 CA GLY A 50 -4.238 -2.091 -12.021 1.00 0.00 C ATOM 818 C GLY A 50 -2.779 -2.452 -11.908 1.00 0.00 C ATOM 819 O GLY A 50 -2.020 -2.301 -12.864 1.00 0.00 O ATOM 0 H GLY A 50 -4.184 -0.180 -12.851 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.795 -2.553 -11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.644 -2.489 -12.951 1.00 0.00 H new ATOM 823 N ALA A 51 -2.382 -2.902 -10.726 1.00 0.00 N ATOM 824 CA ALA A 51 -0.996 -3.263 -10.463 1.00 0.00 C ATOM 825 C ALA A 51 -0.331 -3.931 -11.662 1.00 0.00 C ATOM 826 O ALA A 51 0.534 -3.343 -12.306 1.00 0.00 O ATOM 827 CB ALA A 51 -0.911 -4.160 -9.252 1.00 0.00 C ATOM 0 H ALA A 51 -3.006 -3.026 -9.928 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.454 -2.338 -10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.130 -4.423 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.314 -3.638 -8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.488 -5.068 -9.430 1.00 0.00 H new ATOM 833 N ASP A 52 -0.743 -5.159 -11.953 1.00 0.00 N ATOM 834 CA ASP A 52 -0.187 -5.919 -13.071 1.00 0.00 C ATOM 835 C ASP A 52 -0.231 -5.136 -14.383 1.00 0.00 C ATOM 836 O ASP A 52 0.438 -5.503 -15.349 1.00 0.00 O ATOM 837 CB ASP A 52 -0.945 -7.238 -13.235 1.00 0.00 C ATOM 838 CG ASP A 52 -0.043 -8.368 -13.691 1.00 0.00 C ATOM 839 OD1 ASP A 52 0.569 -9.025 -12.823 1.00 0.00 O ATOM 840 OD2 ASP A 52 0.052 -8.595 -14.916 1.00 0.00 O ATOM 0 H ASP A 52 -1.464 -5.654 -11.428 1.00 0.00 H new ATOM 0 HA ASP A 52 0.860 -6.116 -12.839 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.410 -7.507 -12.287 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.750 -7.104 -13.958 1.00 0.00 H new ATOM 845 N GLN A 53 -1.001 -4.052 -14.418 1.00 0.00 N ATOM 846 CA GLN A 53 -1.098 -3.229 -15.609 1.00 0.00 C ATOM 847 C GLN A 53 -0.073 -2.121 -15.542 1.00 0.00 C ATOM 848 O GLN A 53 0.393 -1.607 -16.559 1.00 0.00 O ATOM 849 CB GLN A 53 -2.495 -2.630 -15.727 1.00 0.00 C ATOM 850 CG GLN A 53 -2.738 -1.929 -17.048 1.00 0.00 C ATOM 851 CD GLN A 53 -3.202 -2.874 -18.140 1.00 0.00 C ATOM 852 OE1 GLN A 53 -2.462 -3.167 -19.079 1.00 0.00 O ATOM 853 NE2 GLN A 53 -4.434 -3.354 -18.022 1.00 0.00 N ATOM 0 H GLN A 53 -1.565 -3.727 -13.633 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.908 -3.850 -16.484 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.234 -3.422 -15.603 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.648 -1.921 -14.914 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.486 -1.149 -16.907 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.819 -1.436 -17.367 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.013 -3.084 -17.227 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.802 -3.993 -18.727 1.00 0.00 H new ATOM 862 N VAL A 54 0.244 -1.747 -14.314 1.00 0.00 N ATOM 863 CA VAL A 54 1.180 -0.685 -14.051 1.00 0.00 C ATOM 864 C VAL A 54 2.608 -1.180 -13.960 1.00 0.00 C ATOM 865 O VAL A 54 3.546 -0.398 -13.810 1.00 0.00 O ATOM 866 CB VAL A 54 0.791 0.047 -12.772 1.00 0.00 C ATOM 867 CG1 VAL A 54 1.001 -0.767 -11.522 1.00 0.00 C ATOM 868 CG2 VAL A 54 1.539 1.329 -12.680 1.00 0.00 C ATOM 0 H VAL A 54 -0.145 -2.177 -13.475 1.00 0.00 H new ATOM 0 HA VAL A 54 1.135 0.003 -14.895 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.281 0.236 -12.835 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.703 -0.182 -10.652 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.399 -1.674 -11.573 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.054 -1.035 -11.435 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.258 1.849 -11.764 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.610 1.125 -12.668 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.298 1.953 -13.540 1.00 0.00 H new ATOM 878 N THR A 55 2.759 -2.477 -14.071 1.00 0.00 N ATOM 879 CA THR A 55 4.073 -3.094 -14.025 1.00 0.00 C ATOM 880 C THR A 55 4.688 -3.110 -15.407 1.00 0.00 C ATOM 881 O THR A 55 5.782 -2.591 -15.629 1.00 0.00 O ATOM 882 CB THR A 55 3.994 -4.509 -13.457 1.00 0.00 C ATOM 883 OG1 THR A 55 3.723 -5.453 -14.479 1.00 0.00 O ATOM 884 CG2 THR A 55 2.928 -4.660 -12.401 1.00 0.00 C ATOM 0 H THR A 55 1.988 -3.133 -14.195 1.00 0.00 H new ATOM 0 HA THR A 55 4.707 -2.503 -13.364 1.00 0.00 H new ATOM 0 HB THR A 55 4.968 -4.694 -13.005 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.679 -6.352 -14.091 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.921 -5.687 -12.036 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.137 -3.982 -11.573 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.955 -4.420 -12.829 1.00 0.00 H new ATOM 892 N ARG A 56 3.959 -3.694 -16.330 1.00 0.00 N ATOM 893 CA ARG A 56 4.398 -3.775 -17.719 1.00 0.00 C ATOM 894 C ARG A 56 4.173 -2.438 -18.429 1.00 0.00 C ATOM 895 O ARG A 56 3.536 -2.383 -19.482 1.00 0.00 O ATOM 896 CB ARG A 56 3.649 -4.891 -18.452 1.00 0.00 C ATOM 897 CG ARG A 56 2.148 -4.888 -18.199 1.00 0.00 C ATOM 898 CD ARG A 56 1.360 -5.027 -19.492 1.00 0.00 C ATOM 899 NE ARG A 56 0.922 -6.402 -19.721 1.00 0.00 N ATOM 900 CZ ARG A 56 -0.088 -6.736 -20.522 1.00 0.00 C ATOM 901 NH1 ARG A 56 -0.767 -5.800 -21.173 1.00 0.00 N ATOM 902 NH2 ARG A 56 -0.419 -8.011 -20.673 1.00 0.00 N ATOM 0 H ARG A 56 3.052 -4.125 -16.150 1.00 0.00 H new ATOM 0 HA ARG A 56 5.464 -4.003 -17.730 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.828 -4.795 -19.523 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.058 -5.854 -18.146 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.891 -5.706 -17.526 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.865 -3.962 -17.698 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.491 -4.370 -19.459 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.976 -4.699 -20.329 1.00 0.00 H new ATOM 0 HE ARG A 56 1.419 -7.151 -19.239 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.516 -4.818 -21.061 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.540 -6.063 -21.785 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.100 -8.735 -20.176 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.192 -8.268 -21.286 1.00 0.00 H new ATOM 916 N THR A 57 4.689 -1.360 -17.838 1.00 0.00 N ATOM 917 CA THR A 57 4.530 -0.024 -18.407 1.00 0.00 C ATOM 918 C THR A 57 5.640 0.920 -17.931 1.00 0.00 C ATOM 919 O THR A 57 6.743 0.482 -17.604 1.00 0.00 O ATOM 920 CB THR A 57 3.169 0.541 -18.004 1.00 0.00 C ATOM 921 OG1 THR A 57 2.926 1.780 -18.655 1.00 0.00 O ATOM 922 CG2 THR A 57 3.052 0.758 -16.510 1.00 0.00 C ATOM 0 H THR A 57 5.219 -1.387 -16.967 1.00 0.00 H new ATOM 0 HA THR A 57 4.595 -0.104 -19.492 1.00 0.00 H new ATOM 0 HB THR A 57 2.431 -0.201 -18.308 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.340 1.635 -19.427 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.066 1.160 -16.277 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.188 -0.192 -15.993 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.818 1.462 -16.183 1.00 0.00 H new ATOM 930 N GLN A 58 5.332 2.219 -17.895 1.00 0.00 N ATOM 931 CA GLN A 58 6.289 3.227 -17.459 1.00 0.00 C ATOM 932 C GLN A 58 5.914 3.782 -16.084 1.00 0.00 C ATOM 933 O GLN A 58 6.784 4.200 -15.320 1.00 0.00 O ATOM 934 CB GLN A 58 6.358 4.364 -18.480 1.00 0.00 C ATOM 935 CG GLN A 58 7.445 4.178 -19.528 1.00 0.00 C ATOM 936 CD GLN A 58 6.883 3.944 -20.917 1.00 0.00 C ATOM 937 OE1 GLN A 58 6.283 4.838 -21.515 1.00 0.00 O ATOM 938 NE2 GLN A 58 7.076 2.738 -21.438 1.00 0.00 N ATOM 0 H GLN A 58 4.422 2.594 -18.165 1.00 0.00 H new ATOM 0 HA GLN A 58 7.268 2.754 -17.382 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.394 4.450 -18.981 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.529 5.303 -17.954 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.085 5.060 -19.543 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.074 3.333 -19.248 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.579 2.027 -20.907 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.721 2.522 -22.370 1.00 0.00 H new ATOM 947 N GLN A 59 4.615 3.786 -15.772 1.00 0.00 N ATOM 948 CA GLN A 59 4.139 4.293 -14.488 1.00 0.00 C ATOM 949 C GLN A 59 4.850 3.601 -13.321 1.00 0.00 C ATOM 950 O GLN A 59 4.860 4.109 -12.204 1.00 0.00 O ATOM 951 CB GLN A 59 2.619 4.119 -14.359 1.00 0.00 C ATOM 952 CG GLN A 59 1.883 3.965 -15.688 1.00 0.00 C ATOM 953 CD GLN A 59 2.187 5.077 -16.682 1.00 0.00 C ATOM 954 OE1 GLN A 59 2.665 6.219 -16.192 1.00 0.00 O flip ATOM 955 NE2 GLN A 59 1.993 4.910 -17.886 1.00 0.00 N flip ATOM 0 H GLN A 59 3.879 3.445 -16.390 1.00 0.00 H new ATOM 0 HA GLN A 59 4.372 5.357 -14.449 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.418 3.242 -13.743 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.211 4.981 -13.830 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.150 3.007 -16.134 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.810 3.940 -15.499 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.626 4.021 -18.225 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.200 5.661 -18.545 1.00 0.00 H new ATOM 964 N TRP A 60 5.459 2.448 -13.580 1.00 0.00 N ATOM 965 CA TRP A 60 6.182 1.731 -12.534 1.00 0.00 C ATOM 966 C TRP A 60 7.507 2.420 -12.245 1.00 0.00 C ATOM 967 O TRP A 60 8.112 2.210 -11.194 1.00 0.00 O ATOM 968 CB TRP A 60 6.439 0.285 -12.949 1.00 0.00 C ATOM 969 CG TRP A 60 5.748 -0.752 -12.108 1.00 0.00 C ATOM 970 CD1 TRP A 60 5.939 -2.095 -12.203 1.00 0.00 C ATOM 971 CD2 TRP A 60 4.779 -0.560 -11.056 1.00 0.00 C ATOM 972 NE1 TRP A 60 5.119 -2.760 -11.332 1.00 0.00 N ATOM 973 CE2 TRP A 60 4.416 -1.843 -10.596 1.00 0.00 C ATOM 974 CE3 TRP A 60 4.174 0.556 -10.461 1.00 0.00 C ATOM 975 CZ2 TRP A 60 3.485 -2.034 -9.578 1.00 0.00 C ATOM 976 CZ3 TRP A 60 3.254 0.358 -9.449 1.00 0.00 C ATOM 977 CH2 TRP A 60 2.919 -0.927 -9.017 1.00 0.00 C ATOM 0 H TRP A 60 5.467 1.994 -14.493 1.00 0.00 H new ATOM 0 HA TRP A 60 5.568 1.735 -11.633 1.00 0.00 H new ATOM 0 HB2 TRP A 60 6.124 0.159 -13.985 1.00 0.00 H new ATOM 0 HB3 TRP A 60 7.513 0.100 -12.917 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.640 -2.571 -12.873 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.044 -3.773 -11.245 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.423 1.555 -10.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 3.220 -3.026 -9.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.786 1.213 -8.984 1.00 0.00 H new ATOM 0 HH2 TRP A 60 2.197 -1.047 -8.223 1.00 0.00 H new ATOM 988 N SER A 61 7.949 3.249 -13.183 1.00 0.00 N ATOM 989 CA SER A 61 9.197 3.972 -13.024 1.00 0.00 C ATOM 990 C SER A 61 9.066 4.995 -11.903 1.00 0.00 C ATOM 991 O SER A 61 10.052 5.362 -11.269 1.00 0.00 O ATOM 992 CB SER A 61 9.584 4.667 -14.331 1.00 0.00 C ATOM 993 OG SER A 61 10.682 5.541 -14.139 1.00 0.00 O ATOM 0 H SER A 61 7.460 3.435 -14.059 1.00 0.00 H new ATOM 0 HA SER A 61 9.982 3.261 -12.766 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.838 3.919 -15.083 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.732 5.228 -14.714 1.00 0.00 H new ATOM 0 HG SER A 61 10.910 5.971 -14.989 1.00 0.00 H new ATOM 999 N MET A 62 7.834 5.440 -11.654 1.00 0.00 N ATOM 1000 CA MET A 62 7.574 6.407 -10.593 1.00 0.00 C ATOM 1001 C MET A 62 7.358 5.681 -9.269 1.00 0.00 C ATOM 1002 O MET A 62 7.997 6.006 -8.269 1.00 0.00 O ATOM 1003 CB MET A 62 6.379 7.308 -10.933 1.00 0.00 C ATOM 1004 CG MET A 62 5.273 6.622 -11.715 1.00 0.00 C ATOM 1005 SD MET A 62 3.942 7.749 -12.162 1.00 0.00 S ATOM 1006 CE MET A 62 2.521 6.681 -11.961 1.00 0.00 C ATOM 0 H MET A 62 7.005 5.146 -12.171 1.00 0.00 H new ATOM 0 HA MET A 62 8.445 7.055 -10.498 1.00 0.00 H new ATOM 0 HB2 MET A 62 5.961 7.700 -10.006 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.737 8.162 -11.508 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.692 6.182 -12.620 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.867 5.803 -11.121 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.013 6.567 -12.919 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.848 5.704 -11.604 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.835 7.121 -11.237 1.00 0.00 H new ATOM 1016 N VAL A 63 6.498 4.657 -9.272 1.00 0.00 N ATOM 1017 CA VAL A 63 6.273 3.860 -8.064 1.00 0.00 C ATOM 1018 C VAL A 63 7.638 3.380 -7.584 1.00 0.00 C ATOM 1019 O VAL A 63 8.161 3.822 -6.550 1.00 0.00 O ATOM 1020 CB VAL A 63 5.346 2.647 -8.357 1.00 0.00 C ATOM 1021 CG1 VAL A 63 5.323 1.655 -7.207 1.00 0.00 C ATOM 1022 CG2 VAL A 63 3.933 3.107 -8.649 1.00 0.00 C ATOM 0 H VAL A 63 5.955 4.365 -10.084 1.00 0.00 H new ATOM 0 HA VAL A 63 5.779 4.462 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 63 5.756 2.145 -9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.663 0.824 -7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.330 1.278 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.959 2.150 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.303 2.241 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.541 3.648 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.937 3.764 -9.519 1.00 0.00 H new ATOM 1032 N ALA A 64 8.225 2.500 -8.383 1.00 0.00 N ATOM 1033 CA ALA A 64 9.563 1.978 -8.110 1.00 0.00 C ATOM 1034 C ALA A 64 10.501 3.086 -7.617 1.00 0.00 C ATOM 1035 O ALA A 64 11.196 2.925 -6.619 1.00 0.00 O ATOM 1036 CB ALA A 64 10.136 1.348 -9.371 1.00 0.00 C ATOM 0 H ALA A 64 7.796 2.129 -9.231 1.00 0.00 H new ATOM 0 HA ALA A 64 9.480 1.226 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.133 0.960 -9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.490 0.532 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.196 2.099 -10.158 1.00 0.00 H new ATOM 1042 N GLN A 65 10.519 4.213 -8.325 1.00 0.00 N ATOM 1043 CA GLN A 65 11.381 5.332 -7.946 1.00 0.00 C ATOM 1044 C GLN A 65 10.973 5.912 -6.597 1.00 0.00 C ATOM 1045 O GLN A 65 11.815 6.387 -5.835 1.00 0.00 O ATOM 1046 CB GLN A 65 11.344 6.430 -9.010 1.00 0.00 C ATOM 1047 CG GLN A 65 12.396 6.262 -10.093 1.00 0.00 C ATOM 1048 CD GLN A 65 12.471 7.457 -11.024 1.00 0.00 C ATOM 1049 OE1 GLN A 65 13.623 8.119 -11.044 1.00 0.00 O flip ATOM 1050 NE2 GLN A 65 11.506 7.781 -11.716 1.00 0.00 N flip ATOM 0 H GLN A 65 9.952 4.376 -9.157 1.00 0.00 H new ATOM 0 HA GLN A 65 12.398 4.947 -7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.357 6.443 -9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.483 7.397 -8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.369 6.107 -9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.174 5.367 -10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.641 7.243 -11.668 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.572 8.587 -12.337 1.00 0.00 H new ATOM 1059 N ARG A 66 9.677 5.876 -6.309 1.00 0.00 N ATOM 1060 CA ARG A 66 9.155 6.404 -5.052 1.00 0.00 C ATOM 1061 C ARG A 66 9.934 5.869 -3.861 1.00 0.00 C ATOM 1062 O ARG A 66 10.422 6.635 -3.031 1.00 0.00 O ATOM 1063 CB ARG A 66 7.680 6.049 -4.897 1.00 0.00 C ATOM 1064 CG ARG A 66 6.798 7.253 -4.602 1.00 0.00 C ATOM 1065 CD ARG A 66 7.267 7.998 -3.361 1.00 0.00 C ATOM 1066 NE ARG A 66 7.551 9.403 -3.642 1.00 0.00 N ATOM 1067 CZ ARG A 66 8.309 10.177 -2.868 1.00 0.00 C ATOM 1068 NH1 ARG A 66 8.864 9.686 -1.767 1.00 0.00 N ATOM 1069 NH2 ARG A 66 8.514 11.445 -3.198 1.00 0.00 N ATOM 0 H ARG A 66 8.967 5.486 -6.929 1.00 0.00 H new ATOM 0 HA ARG A 66 9.266 7.488 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.332 5.568 -5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.571 5.322 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.805 7.929 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.768 6.925 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.503 7.930 -2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.163 7.519 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 66 7.144 9.816 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.711 8.711 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.444 10.284 -1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.091 11.827 -4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.095 12.039 -2.606 1.00 0.00 H new ATOM 1083 N LEU A 67 10.044 4.548 -3.778 1.00 0.00 N ATOM 1084 CA LEU A 67 10.766 3.926 -2.670 1.00 0.00 C ATOM 1085 C LEU A 67 12.258 3.791 -2.974 1.00 0.00 C ATOM 1086 O LEU A 67 12.942 2.941 -2.404 1.00 0.00 O ATOM 1087 CB LEU A 67 10.168 2.560 -2.337 1.00 0.00 C ATOM 1088 CG LEU A 67 10.449 1.456 -3.355 1.00 0.00 C ATOM 1089 CD1 LEU A 67 10.527 0.104 -2.664 1.00 0.00 C ATOM 1090 CD2 LEU A 67 9.379 1.445 -4.437 1.00 0.00 C ATOM 0 H LEU A 67 9.649 3.893 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 67 10.660 4.579 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.550 2.242 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.088 2.670 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 67 11.411 1.656 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.728 -0.671 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.329 0.118 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.580 -0.105 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.595 0.653 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.404 1.268 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.371 2.406 -4.950 1.00 0.00 H new ATOM 1102 N GLN A 68 12.759 4.639 -3.868 1.00 0.00 N ATOM 1103 CA GLN A 68 14.169 4.620 -4.240 1.00 0.00 C ATOM 1104 C GLN A 68 14.571 3.261 -4.799 1.00 0.00 C ATOM 1105 O GLN A 68 15.363 2.538 -4.193 1.00 0.00 O ATOM 1106 CB GLN A 68 15.042 4.969 -3.032 1.00 0.00 C ATOM 1107 CG GLN A 68 16.502 5.205 -3.386 1.00 0.00 C ATOM 1108 CD GLN A 68 17.301 5.766 -2.226 1.00 0.00 C ATOM 1109 OE1 GLN A 68 16.976 5.530 -1.062 1.00 0.00 O ATOM 1110 NE2 GLN A 68 18.353 6.514 -2.539 1.00 0.00 N ATOM 0 H GLN A 68 12.207 5.349 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 68 14.321 5.368 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.644 5.863 -2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.979 4.161 -2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.950 4.265 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.561 5.893 -4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.585 6.683 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.929 6.919 -1.801 1.00 0.00 H new ATOM 1119 N ILE A 69 14.024 2.918 -5.959 1.00 0.00 N ATOM 1120 CA ILE A 69 14.334 1.644 -6.594 1.00 0.00 C ATOM 1121 C ILE A 69 13.914 1.633 -8.061 1.00 0.00 C ATOM 1122 O ILE A 69 12.992 2.342 -8.465 1.00 0.00 O ATOM 1123 CB ILE A 69 13.655 0.466 -5.857 1.00 0.00 C ATOM 1124 CG1 ILE A 69 14.286 -0.864 -6.282 1.00 0.00 C ATOM 1125 CG2 ILE A 69 12.153 0.455 -6.119 1.00 0.00 C ATOM 1126 CD1 ILE A 69 13.602 -2.078 -5.697 1.00 0.00 C ATOM 0 H ILE A 69 13.367 3.501 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 69 15.416 1.521 -6.537 1.00 0.00 H new ATOM 0 HB ILE A 69 13.810 0.597 -4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.264 -0.935 -7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.334 -0.870 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.698 -0.382 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.715 1.389 -5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.971 0.351 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.105 -2.981 -6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.647 -2.032 -4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.560 -2.098 -6.017 1.00 0.00 H new ATOM 1138 N SER A 70 14.589 0.805 -8.845 1.00 0.00 N ATOM 1139 CA SER A 70 14.292 0.664 -10.264 1.00 0.00 C ATOM 1140 C SER A 70 13.950 -0.787 -10.571 1.00 0.00 C ATOM 1141 O SER A 70 14.306 -1.319 -11.622 1.00 0.00 O ATOM 1142 CB SER A 70 15.486 1.114 -11.109 1.00 0.00 C ATOM 1143 OG SER A 70 15.062 1.625 -12.361 1.00 0.00 O ATOM 0 H SER A 70 15.354 0.215 -8.518 1.00 0.00 H new ATOM 0 HA SER A 70 13.439 1.296 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.048 1.878 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.162 0.273 -11.266 1.00 0.00 H new ATOM 0 HG SER A 70 15.843 1.907 -12.881 1.00 0.00 H new ATOM 1149 N ASP A 71 13.265 -1.422 -9.626 1.00 0.00 N ATOM 1150 CA ASP A 71 12.874 -2.818 -9.755 1.00 0.00 C ATOM 1151 C ASP A 71 11.361 -2.945 -9.909 1.00 0.00 C ATOM 1152 O ASP A 71 10.689 -3.493 -9.039 1.00 0.00 O ATOM 1153 CB ASP A 71 13.351 -3.598 -8.526 1.00 0.00 C ATOM 1154 CG ASP A 71 13.983 -4.927 -8.891 1.00 0.00 C ATOM 1155 OD1 ASP A 71 13.741 -5.409 -10.018 1.00 0.00 O ATOM 1156 OD2 ASP A 71 14.718 -5.487 -8.051 1.00 0.00 O ATOM 0 H ASP A 71 12.967 -0.985 -8.754 1.00 0.00 H new ATOM 0 HA ASP A 71 13.339 -3.233 -10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.073 -2.995 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.506 -3.772 -7.860 1.00 0.00 H new ATOM 1161 N TYR A 72 10.838 -2.430 -11.025 1.00 0.00 N ATOM 1162 CA TYR A 72 9.403 -2.467 -11.314 1.00 0.00 C ATOM 1163 C TYR A 72 8.755 -3.759 -10.823 1.00 0.00 C ATOM 1164 O TYR A 72 7.652 -3.746 -10.272 1.00 0.00 O ATOM 1165 CB TYR A 72 9.162 -2.290 -12.809 1.00 0.00 C ATOM 1166 CG TYR A 72 10.212 -2.936 -13.686 1.00 0.00 C ATOM 1167 CD1 TYR A 72 10.116 -4.276 -14.042 1.00 0.00 C ATOM 1168 CD2 TYR A 72 11.297 -2.208 -14.157 1.00 0.00 C ATOM 1169 CE1 TYR A 72 11.072 -4.872 -14.843 1.00 0.00 C ATOM 1170 CE2 TYR A 72 12.258 -2.797 -14.958 1.00 0.00 C ATOM 1171 CZ TYR A 72 12.141 -4.128 -15.298 1.00 0.00 C ATOM 1172 OH TYR A 72 13.095 -4.718 -16.096 1.00 0.00 O ATOM 0 H TYR A 72 11.395 -1.978 -11.750 1.00 0.00 H new ATOM 0 HA TYR A 72 8.938 -1.642 -10.774 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.187 -2.708 -13.061 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.120 -1.225 -13.036 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.281 -4.861 -13.687 1.00 0.00 H new ATOM 0 HD2 TYR A 72 11.392 -1.165 -13.893 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.983 -5.914 -15.111 1.00 0.00 H new ATOM 0 HE2 TYR A 72 13.096 -2.217 -15.316 1.00 0.00 H new ATOM 0 HH TYR A 72 13.779 -4.057 -16.331 1.00 0.00 H new ATOM 1182 N GLN A 73 9.439 -4.875 -11.012 1.00 0.00 N ATOM 1183 CA GLN A 73 8.917 -6.144 -10.570 1.00 0.00 C ATOM 1184 C GLN A 73 8.655 -6.147 -9.070 1.00 0.00 C ATOM 1185 O GLN A 73 7.612 -6.620 -8.610 1.00 0.00 O ATOM 1186 CB GLN A 73 9.901 -7.232 -10.925 1.00 0.00 C ATOM 1187 CG GLN A 73 9.402 -8.102 -12.041 1.00 0.00 C ATOM 1188 CD GLN A 73 8.622 -9.294 -11.518 1.00 0.00 C ATOM 1189 OE1 GLN A 73 7.753 -9.036 -10.536 1.00 0.00 O flip ATOM 1190 NE2 GLN A 73 8.792 -10.421 -11.982 1.00 0.00 N flip ATOM 0 H GLN A 73 10.351 -4.922 -11.466 1.00 0.00 H new ATOM 0 HA GLN A 73 7.965 -6.322 -11.071 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.850 -6.781 -11.214 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.094 -7.846 -10.046 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.767 -7.515 -12.704 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.246 -8.452 -12.635 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.468 -10.567 -12.732 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.257 -11.209 -11.617 1.00 0.00 H new ATOM 1199 N GLN A 74 9.591 -5.597 -8.309 1.00 0.00 N ATOM 1200 CA GLN A 74 9.439 -5.528 -6.874 1.00 0.00 C ATOM 1201 C GLN A 74 8.195 -4.730 -6.547 1.00 0.00 C ATOM 1202 O GLN A 74 7.559 -4.945 -5.521 1.00 0.00 O ATOM 1203 CB GLN A 74 10.666 -4.876 -6.239 1.00 0.00 C ATOM 1204 CG GLN A 74 11.875 -5.794 -6.165 1.00 0.00 C ATOM 1205 CD GLN A 74 11.807 -6.749 -4.990 1.00 0.00 C ATOM 1206 OE1 GLN A 74 12.367 -6.483 -3.926 1.00 0.00 O ATOM 1207 NE2 GLN A 74 11.119 -7.869 -5.176 1.00 0.00 N ATOM 0 H GLN A 74 10.458 -5.195 -8.666 1.00 0.00 H new ATOM 0 HA GLN A 74 9.343 -6.536 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.931 -3.986 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.410 -4.544 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.950 -6.366 -7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 74 12.780 -5.192 -6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.671 -8.049 -6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 74 11.039 -8.550 -4.421 1.00 0.00 H new ATOM 1216 N LEU A 75 7.858 -3.807 -7.443 1.00 0.00 N ATOM 1217 CA LEU A 75 6.701 -2.966 -7.275 1.00 0.00 C ATOM 1218 C LEU A 75 5.435 -3.770 -7.180 1.00 0.00 C ATOM 1219 O LEU A 75 4.820 -3.835 -6.127 1.00 0.00 O ATOM 1220 CB LEU A 75 6.617 -1.977 -8.411 1.00 0.00 C ATOM 1221 CG LEU A 75 7.664 -0.895 -8.317 1.00 0.00 C ATOM 1222 CD1 LEU A 75 7.533 -0.190 -6.983 1.00 0.00 C ATOM 1223 CD2 LEU A 75 9.060 -1.472 -8.464 1.00 0.00 C ATOM 0 H LEU A 75 8.384 -3.630 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 75 6.812 -2.426 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.730 -2.506 -9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.627 -1.520 -8.418 1.00 0.00 H new ATOM 0 HG LEU A 75 7.507 -0.184 -9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.288 0.593 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.541 0.253 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.676 -0.909 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.795 -0.670 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.238 -2.199 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.151 -1.962 -9.434 1.00 0.00 H new ATOM 1235 N GLU A 76 5.023 -4.400 -8.260 1.00 0.00 N ATOM 1236 CA GLU A 76 3.803 -5.181 -8.167 1.00 0.00 C ATOM 1237 C GLU A 76 3.912 -6.235 -7.075 1.00 0.00 C ATOM 1238 O GLU A 76 2.905 -6.753 -6.609 1.00 0.00 O ATOM 1239 CB GLU A 76 3.387 -5.821 -9.469 1.00 0.00 C ATOM 1240 CG GLU A 76 1.894 -6.098 -9.469 1.00 0.00 C ATOM 1241 CD GLU A 76 1.447 -7.010 -10.594 1.00 0.00 C ATOM 1242 OE1 GLU A 76 2.317 -7.530 -11.323 1.00 0.00 O ATOM 1243 OE2 GLU A 76 0.223 -7.216 -10.738 1.00 0.00 O ATOM 0 H GLU A 76 5.485 -4.392 -9.169 1.00 0.00 H new ATOM 0 HA GLU A 76 3.019 -4.468 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.642 -5.165 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.936 -6.751 -9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.616 -6.548 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.357 -5.152 -9.544 1.00 0.00 H new ATOM 1250 N SER A 77 5.126 -6.499 -6.606 1.00 0.00 N ATOM 1251 CA SER A 77 5.295 -7.427 -5.506 1.00 0.00 C ATOM 1252 C SER A 77 4.705 -6.741 -4.287 1.00 0.00 C ATOM 1253 O SER A 77 4.174 -7.368 -3.374 1.00 0.00 O ATOM 1254 CB SER A 77 6.773 -7.758 -5.283 1.00 0.00 C ATOM 1255 OG SER A 77 6.924 -9.029 -4.675 1.00 0.00 O ATOM 0 H SER A 77 5.989 -6.091 -6.965 1.00 0.00 H new ATOM 0 HA SER A 77 4.797 -8.375 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.300 -7.742 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.229 -6.994 -4.654 1.00 0.00 H new ATOM 0 HG SER A 77 7.877 -9.218 -4.545 1.00 0.00 H new ATOM 1261 N ILE A 78 4.780 -5.414 -4.343 1.00 0.00 N ATOM 1262 CA ILE A 78 4.250 -4.537 -3.328 1.00 0.00 C ATOM 1263 C ILE A 78 2.746 -4.409 -3.485 1.00 0.00 C ATOM 1264 O ILE A 78 1.976 -4.608 -2.545 1.00 0.00 O ATOM 1265 CB ILE A 78 4.860 -3.107 -3.452 1.00 0.00 C ATOM 1266 CG1 ILE A 78 3.992 -2.189 -4.342 1.00 0.00 C ATOM 1267 CG2 ILE A 78 6.268 -3.151 -3.999 1.00 0.00 C ATOM 1268 CD1 ILE A 78 3.875 -0.785 -3.826 1.00 0.00 C ATOM 0 H ILE A 78 5.223 -4.917 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 78 4.504 -4.967 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 78 4.885 -2.694 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.416 -2.164 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.994 -2.619 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.662 -2.137 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.899 -3.738 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.260 -3.609 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.252 -0.200 -4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.422 -0.798 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.866 -0.336 -3.766 1.00 0.00 H new ATOM 1280 N TYR A 79 2.354 -4.034 -4.700 1.00 0.00 N ATOM 1281 CA TYR A 79 0.973 -3.817 -5.024 1.00 0.00 C ATOM 1282 C TYR A 79 0.245 -5.122 -5.003 1.00 0.00 C ATOM 1283 O TYR A 79 -0.782 -5.266 -4.359 1.00 0.00 O ATOM 1284 CB TYR A 79 0.846 -3.155 -6.400 1.00 0.00 C ATOM 1285 CG TYR A 79 -0.531 -2.581 -6.688 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -1.692 -3.292 -6.393 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -0.669 -1.322 -7.259 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -2.941 -2.764 -6.658 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -1.918 -0.790 -7.524 1.00 0.00 C ATOM 1290 CZ TYR A 79 -3.048 -1.514 -7.221 1.00 0.00 C ATOM 1291 OH TYR A 79 -4.291 -0.986 -7.485 1.00 0.00 O ATOM 0 H TYR A 79 2.995 -3.876 -5.477 1.00 0.00 H new ATOM 0 HA TYR A 79 0.531 -3.150 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.584 -2.356 -6.476 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.090 -3.889 -7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.614 -4.274 -5.949 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.214 -0.749 -7.500 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.830 -3.331 -6.424 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.006 0.191 -7.967 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.357 -0.765 -8.438 1.00 0.00 H new ATOM 1301 N PHE A 80 0.788 -6.067 -5.728 1.00 0.00 N ATOM 1302 CA PHE A 80 0.169 -7.374 -5.824 1.00 0.00 C ATOM 1303 C PHE A 80 0.528 -8.315 -4.686 1.00 0.00 C ATOM 1304 O PHE A 80 -0.365 -8.908 -4.073 1.00 0.00 O ATOM 1305 CB PHE A 80 0.505 -8.038 -7.169 1.00 0.00 C ATOM 1306 CG PHE A 80 0.002 -9.455 -7.319 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -1.073 -9.919 -6.572 1.00 0.00 C ATOM 1308 CD2 PHE A 80 0.612 -10.323 -8.212 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -1.525 -11.217 -6.713 1.00 0.00 C ATOM 1310 CE2 PHE A 80 0.163 -11.622 -8.356 1.00 0.00 C ATOM 1311 CZ PHE A 80 -0.907 -12.069 -7.606 1.00 0.00 C ATOM 0 H PHE A 80 1.652 -5.962 -6.259 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.903 -7.192 -5.751 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.086 -7.432 -7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.587 -8.036 -7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.562 -9.257 -5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.449 -9.979 -8.802 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.361 -11.565 -6.125 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.649 -12.287 -9.055 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.260 -13.084 -7.718 1.00 0.00 H new ATOM 1321 N ARG A 81 1.816 -8.509 -4.443 1.00 0.00 N ATOM 1322 CA ARG A 81 2.233 -9.479 -3.437 1.00 0.00 C ATOM 1323 C ARG A 81 2.272 -8.951 -2.012 1.00 0.00 C ATOM 1324 O ARG A 81 2.611 -9.696 -1.091 1.00 0.00 O ATOM 1325 CB ARG A 81 3.577 -10.079 -3.836 1.00 0.00 C ATOM 1326 CG ARG A 81 3.450 -11.187 -4.874 1.00 0.00 C ATOM 1327 CD ARG A 81 2.624 -10.749 -6.084 1.00 0.00 C ATOM 1328 NE ARG A 81 3.443 -10.077 -7.089 1.00 0.00 N ATOM 1329 CZ ARG A 81 4.213 -10.717 -7.966 1.00 0.00 C ATOM 1330 NH1 ARG A 81 4.272 -12.044 -7.963 1.00 0.00 N ATOM 1331 NH2 ARG A 81 4.926 -10.030 -8.848 1.00 0.00 N ATOM 0 H ARG A 81 2.577 -8.021 -4.916 1.00 0.00 H new ATOM 0 HA ARG A 81 1.461 -10.248 -3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.218 -9.291 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.070 -10.475 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.444 -11.490 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.986 -12.061 -4.416 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.144 -11.620 -6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.829 -10.079 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 81 3.424 -9.058 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.726 -12.577 -7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.864 -12.530 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.884 -9.011 -8.854 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.516 -10.521 -9.520 1.00 0.00 H new ATOM 1345 N ILE A 82 1.926 -7.694 -1.808 1.00 0.00 N ATOM 1346 CA ILE A 82 1.935 -7.147 -0.469 1.00 0.00 C ATOM 1347 C ILE A 82 0.687 -6.324 -0.171 1.00 0.00 C ATOM 1348 O ILE A 82 0.389 -6.064 0.992 1.00 0.00 O ATOM 1349 CB ILE A 82 3.200 -6.304 -0.238 1.00 0.00 C ATOM 1350 CG1 ILE A 82 4.427 -7.204 -0.350 1.00 0.00 C ATOM 1351 CG2 ILE A 82 3.161 -5.619 1.120 1.00 0.00 C ATOM 1352 CD1 ILE A 82 5.735 -6.479 -0.133 1.00 0.00 C ATOM 0 H ILE A 82 1.640 -7.044 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 82 1.938 -7.991 0.221 1.00 0.00 H new ATOM 0 HB ILE A 82 3.250 -5.523 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.343 -8.010 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.438 -7.667 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.068 -5.030 1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.291 -4.964 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.096 -6.372 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.561 -7.183 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.842 -5.691 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.746 -6.039 0.864 1.00 0.00 H new ATOM 1364 N LEU A 83 -0.047 -5.901 -1.200 1.00 0.00 N ATOM 1365 CA LEU A 83 -1.232 -5.096 -0.955 1.00 0.00 C ATOM 1366 C LEU A 83 -2.232 -5.129 -2.109 1.00 0.00 C ATOM 1367 O LEU A 83 -2.960 -4.163 -2.297 1.00 0.00 O ATOM 1368 CB LEU A 83 -0.799 -3.650 -0.729 1.00 0.00 C ATOM 1369 CG LEU A 83 -1.841 -2.740 -0.075 1.00 0.00 C ATOM 1370 CD1 LEU A 83 -2.249 -3.268 1.291 1.00 0.00 C ATOM 1371 CD2 LEU A 83 -1.295 -1.329 0.049 1.00 0.00 C ATOM 0 H LEU A 83 0.153 -6.097 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.732 -5.515 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.097 -3.651 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.520 -3.219 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.727 -2.726 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.990 -2.602 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.676 -4.265 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.374 -3.317 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.044 -0.689 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.394 -1.340 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.055 -0.944 -0.942 1.00 0.00 H new ATOM 1383 N LEU A 84 -2.283 -6.198 -2.906 1.00 0.00 N ATOM 1384 CA LEU A 84 -3.222 -6.195 -4.024 1.00 0.00 C ATOM 1385 C LEU A 84 -4.678 -6.033 -3.532 1.00 0.00 C ATOM 1386 O LEU A 84 -5.278 -4.969 -3.689 1.00 0.00 O ATOM 1387 CB LEU A 84 -3.037 -7.444 -4.919 1.00 0.00 C ATOM 1388 CG LEU A 84 -3.558 -7.278 -6.345 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -4.576 -6.185 -6.334 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -2.451 -6.952 -7.334 1.00 0.00 C ATOM 0 H LEU A 84 -1.714 -7.039 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.001 -5.328 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.977 -7.694 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.547 -8.288 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.995 -8.221 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.968 -6.042 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.391 -6.454 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.113 -5.260 -5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.875 -6.844 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.966 -6.020 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.717 -7.758 -7.337 1.00 0.00 H new ATOM 1402 N PRO A 85 -5.248 -7.081 -2.934 1.00 0.00 N ATOM 1403 CA PRO A 85 -6.614 -7.115 -2.402 1.00 0.00 C ATOM 1404 C PRO A 85 -7.053 -5.818 -1.719 1.00 0.00 C ATOM 1405 O PRO A 85 -8.244 -5.527 -1.661 1.00 0.00 O ATOM 1406 CB PRO A 85 -6.529 -8.256 -1.358 1.00 0.00 C ATOM 1407 CG PRO A 85 -5.087 -8.674 -1.353 1.00 0.00 C ATOM 1408 CD PRO A 85 -4.609 -8.347 -2.723 1.00 0.00 C ATOM 0 HA PRO A 85 -7.347 -7.256 -3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.844 -7.913 -0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.180 -9.088 -1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.519 -8.136 -0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.981 -9.737 -1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.523 -8.276 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.916 -9.092 -3.457 1.00 0.00 H new ATOM 1416 N TYR A 86 -6.107 -5.050 -1.191 1.00 0.00 N ATOM 1417 CA TYR A 86 -6.441 -3.803 -0.503 1.00 0.00 C ATOM 1418 C TYR A 86 -6.605 -2.633 -1.465 1.00 0.00 C ATOM 1419 O TYR A 86 -7.723 -2.202 -1.745 1.00 0.00 O ATOM 1420 CB TYR A 86 -5.389 -3.479 0.550 1.00 0.00 C ATOM 1421 CG TYR A 86 -5.992 -3.071 1.873 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -7.167 -2.337 1.910 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -5.394 -3.416 3.077 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -7.733 -1.952 3.105 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -5.954 -3.036 4.282 1.00 0.00 C ATOM 1426 CZ TYR A 86 -7.124 -2.303 4.291 1.00 0.00 C ATOM 1427 OH TYR A 86 -7.685 -1.923 5.489 1.00 0.00 O ATOM 0 H TYR A 86 -5.110 -5.264 -1.224 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.404 -3.955 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.751 -4.350 0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.750 -2.675 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.648 -2.061 0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.479 -3.989 3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.648 -1.379 3.113 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.479 -3.311 5.212 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.282 -2.440 6.218 1.00 0.00 H new ATOM 1437 N GLU A 87 -5.487 -2.117 -1.952 1.00 0.00 N ATOM 1438 CA GLU A 87 -5.486 -0.975 -2.873 1.00 0.00 C ATOM 1439 C GLU A 87 -6.618 -1.058 -3.891 1.00 0.00 C ATOM 1440 O GLU A 87 -7.115 -0.038 -4.366 1.00 0.00 O ATOM 1441 CB GLU A 87 -4.153 -0.894 -3.622 1.00 0.00 C ATOM 1442 CG GLU A 87 -2.984 -1.509 -2.875 1.00 0.00 C ATOM 1443 CD GLU A 87 -1.665 -1.309 -3.595 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -1.691 -0.962 -4.793 1.00 0.00 O ATOM 1445 OE2 GLU A 87 -0.606 -1.493 -2.961 1.00 0.00 O ATOM 0 H GLU A 87 -4.557 -2.470 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.632 -0.081 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.259 -1.394 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.928 0.152 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.921 -1.069 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.163 -2.576 -2.741 1.00 0.00 H new ATOM 1452 N ARG A 88 -7.000 -2.276 -4.243 1.00 0.00 N ATOM 1453 CA ARG A 88 -8.053 -2.489 -5.228 1.00 0.00 C ATOM 1454 C ARG A 88 -9.448 -2.582 -4.603 1.00 0.00 C ATOM 1455 O ARG A 88 -10.436 -2.211 -5.236 1.00 0.00 O ATOM 1456 CB ARG A 88 -7.763 -3.761 -6.027 1.00 0.00 C ATOM 1457 CG ARG A 88 -8.113 -3.651 -7.501 1.00 0.00 C ATOM 1458 CD ARG A 88 -7.906 -4.975 -8.220 1.00 0.00 C ATOM 1459 NE ARG A 88 -8.892 -5.184 -9.277 1.00 0.00 N ATOM 1460 CZ ARG A 88 -8.798 -4.657 -10.495 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -7.765 -3.886 -10.815 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -9.739 -4.900 -11.396 1.00 0.00 N ATOM 0 H ARG A 88 -6.598 -3.133 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.054 -1.618 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.705 -4.006 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.322 -4.589 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.151 -3.336 -7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.497 -2.882 -7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.904 -5.002 -8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.967 -5.792 -7.501 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.701 -5.769 -9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.038 -3.695 -10.125 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.698 -3.485 -11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.535 -5.491 -11.156 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.667 -4.496 -12.330 1.00 0.00 H new ATOM 1476 N HIS A 89 -9.542 -3.116 -3.386 1.00 0.00 N ATOM 1477 CA HIS A 89 -10.846 -3.285 -2.742 1.00 0.00 C ATOM 1478 C HIS A 89 -11.285 -2.097 -1.883 1.00 0.00 C ATOM 1479 O HIS A 89 -12.473 -1.775 -1.849 1.00 0.00 O ATOM 1480 CB HIS A 89 -10.870 -4.558 -1.899 1.00 0.00 C ATOM 1481 CG HIS A 89 -11.012 -5.805 -2.716 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -10.012 -6.292 -3.530 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -12.054 -6.661 -2.851 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -10.433 -7.391 -4.132 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -11.668 -7.637 -3.736 1.00 0.00 N ATOM 0 H HIS A 89 -8.746 -3.435 -2.833 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.561 -3.356 -3.561 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.951 -4.617 -1.315 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.695 -4.500 -1.189 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.091 -5.870 -3.649 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -13.010 -6.589 -2.355 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.863 -7.987 -4.830 1.00 0.00 H new ATOM 1494 N MET A 90 -10.364 -1.463 -1.159 1.00 0.00 N ATOM 1495 CA MET A 90 -10.748 -0.348 -0.286 1.00 0.00 C ATOM 1496 C MET A 90 -11.043 0.944 -1.053 1.00 0.00 C ATOM 1497 O MET A 90 -10.809 2.039 -0.543 1.00 0.00 O ATOM 1498 CB MET A 90 -9.700 -0.100 0.811 1.00 0.00 C ATOM 1499 CG MET A 90 -8.290 0.150 0.306 1.00 0.00 C ATOM 1500 SD MET A 90 -7.997 1.867 -0.140 1.00 0.00 S ATOM 1501 CE MET A 90 -7.999 1.712 -1.916 1.00 0.00 C ATOM 0 H MET A 90 -9.370 -1.692 -1.156 1.00 0.00 H new ATOM 0 HA MET A 90 -11.681 -0.653 0.189 1.00 0.00 H new ATOM 0 HB2 MET A 90 -10.014 0.758 1.406 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.683 -0.962 1.478 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.577 -0.147 1.075 1.00 0.00 H new ATOM 0 HG3 MET A 90 -8.104 -0.482 -0.562 1.00 0.00 H new ATOM 0 HE1 MET A 90 -7.043 2.055 -2.312 1.00 0.00 H new ATOM 0 HE2 MET A 90 -8.152 0.668 -2.190 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.803 2.318 -2.333 1.00 0.00 H new ATOM 1511 N ILE A 91 -11.597 0.821 -2.258 1.00 0.00 N ATOM 1512 CA ILE A 91 -11.956 1.988 -3.049 1.00 0.00 C ATOM 1513 C ILE A 91 -13.310 2.523 -2.599 1.00 0.00 C ATOM 1514 O ILE A 91 -13.388 3.476 -1.824 1.00 0.00 O ATOM 1515 CB ILE A 91 -12.010 1.656 -4.558 1.00 0.00 C ATOM 1516 CG1 ILE A 91 -10.599 1.554 -5.115 1.00 0.00 C ATOM 1517 CG2 ILE A 91 -12.804 2.708 -5.326 1.00 0.00 C ATOM 1518 CD1 ILE A 91 -9.814 0.384 -4.566 1.00 0.00 C ATOM 0 H ILE A 91 -11.805 -0.073 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.187 2.745 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.516 0.698 -4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.651 1.468 -6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.062 2.477 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -12.825 2.448 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.823 2.747 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.332 3.683 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.818 0.375 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.730 0.478 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.328 -0.546 -4.810 1.00 0.00 H new ATOM 1530 N SER A 92 -14.374 1.896 -3.092 1.00 0.00 N ATOM 1531 CA SER A 92 -15.737 2.291 -2.749 1.00 0.00 C ATOM 1532 C SER A 92 -16.154 3.555 -3.495 1.00 0.00 C ATOM 1533 O SER A 92 -17.266 3.638 -4.016 1.00 0.00 O ATOM 1534 CB SER A 92 -15.876 2.505 -1.239 1.00 0.00 C ATOM 1535 OG SER A 92 -15.185 1.500 -0.516 1.00 0.00 O ATOM 0 H SER A 92 -14.318 1.106 -3.735 1.00 0.00 H new ATOM 0 HA SER A 92 -16.399 1.480 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.484 3.486 -0.970 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.930 2.496 -0.963 1.00 0.00 H new ATOM 0 HG SER A 92 -15.287 1.660 0.445 1.00 0.00 H new ATOM 1541 N GLN A 93 -15.260 4.539 -3.538 1.00 0.00 N ATOM 1542 CA GLN A 93 -15.539 5.803 -4.215 1.00 0.00 C ATOM 1543 C GLN A 93 -14.487 6.848 -3.860 1.00 0.00 C ATOM 1544 O GLN A 93 -14.300 7.180 -2.690 1.00 0.00 O ATOM 1545 CB GLN A 93 -16.928 6.325 -3.834 1.00 0.00 C ATOM 1546 CG GLN A 93 -17.301 6.071 -2.381 1.00 0.00 C ATOM 1547 CD GLN A 93 -18.320 7.063 -1.856 1.00 0.00 C ATOM 1548 OE1 GLN A 93 -18.787 7.937 -2.587 1.00 0.00 O ATOM 1549 NE2 GLN A 93 -18.669 6.933 -0.581 1.00 0.00 N ATOM 0 H GLN A 93 -14.335 4.486 -3.112 1.00 0.00 H new ATOM 0 HA GLN A 93 -15.510 5.620 -5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -16.969 7.397 -4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -17.672 5.856 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -17.700 5.061 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -16.403 6.120 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -18.256 6.194 -0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -19.350 7.572 -0.171 1.00 0.00 H new ATOM 1558 N GLU A 94 -13.807 7.368 -4.876 1.00 0.00 N ATOM 1559 CA GLU A 94 -12.780 8.380 -4.663 1.00 0.00 C ATOM 1560 C GLU A 94 -13.394 9.663 -4.115 1.00 0.00 C ATOM 1561 O GLU A 94 -14.430 10.122 -4.598 1.00 0.00 O ATOM 1562 CB GLU A 94 -12.039 8.670 -5.970 1.00 0.00 C ATOM 1563 CG GLU A 94 -11.410 7.437 -6.597 1.00 0.00 C ATOM 1564 CD GLU A 94 -12.029 7.082 -7.934 1.00 0.00 C ATOM 1565 OE1 GLU A 94 -11.949 7.912 -8.864 1.00 0.00 O ATOM 1566 OE2 GLU A 94 -12.594 5.974 -8.052 1.00 0.00 O ATOM 0 H GLU A 94 -13.948 7.106 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.069 7.996 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.734 9.115 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.260 9.409 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.341 7.606 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.517 6.593 -5.916 1.00 0.00 H new ATOM 1573 N GLY A 95 -12.753 10.235 -3.103 1.00 0.00 N ATOM 1574 CA GLY A 95 -13.254 11.457 -2.505 1.00 0.00 C ATOM 1575 C GLY A 95 -12.258 12.085 -1.555 1.00 0.00 C ATOM 1576 O GLY A 95 -12.636 12.631 -0.525 1.00 0.00 O ATOM 0 H GLY A 95 -11.895 9.874 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.500 12.169 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.179 11.243 -1.969 1.00 0.00 H new ATOM 1580 N ILE A 96 -10.981 12.020 -1.917 1.00 0.00 N ATOM 1581 CA ILE A 96 -9.903 12.591 -1.119 1.00 0.00 C ATOM 1582 C ILE A 96 -10.197 12.546 0.391 1.00 0.00 C ATOM 1583 O ILE A 96 -10.385 13.578 1.036 1.00 0.00 O ATOM 1584 CB ILE A 96 -9.630 14.035 -1.582 1.00 0.00 C ATOM 1585 CG1 ILE A 96 -8.948 14.022 -2.951 1.00 0.00 C ATOM 1586 CG2 ILE A 96 -8.781 14.803 -0.575 1.00 0.00 C ATOM 1587 CD1 ILE A 96 -8.890 15.382 -3.611 1.00 0.00 C ATOM 0 H ILE A 96 -10.664 11.568 -2.775 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.013 11.981 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.589 14.548 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.934 13.638 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -9.480 13.332 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.612 15.816 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.300 14.844 0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.823 14.299 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.393 15.297 -4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.902 15.760 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.333 16.071 -2.976 1.00 0.00 H new ATOM 1599 N LYS A 97 -10.211 11.336 0.943 1.00 0.00 N ATOM 1600 CA LYS A 97 -10.448 11.131 2.374 1.00 0.00 C ATOM 1601 C LYS A 97 -11.791 11.683 2.845 1.00 0.00 C ATOM 1602 O LYS A 97 -12.007 11.865 4.043 1.00 0.00 O ATOM 1603 CB LYS A 97 -9.326 11.779 3.175 1.00 0.00 C ATOM 1604 CG LYS A 97 -8.377 10.780 3.818 1.00 0.00 C ATOM 1605 CD LYS A 97 -8.131 11.103 5.283 1.00 0.00 C ATOM 1606 CE LYS A 97 -9.110 10.371 6.187 1.00 0.00 C ATOM 1607 NZ LYS A 97 -8.756 10.520 7.626 1.00 0.00 N ATOM 0 H LYS A 97 -10.060 10.474 0.418 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.470 10.054 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.756 12.437 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.762 12.405 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.792 9.776 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.429 10.781 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.111 10.828 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.223 12.178 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.116 10.755 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.125 9.313 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.448 10.006 8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.806 10.130 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.767 11.528 7.884 1.00 0.00 H new ATOM 1621 N GLU A 98 -12.688 11.937 1.913 1.00 0.00 N ATOM 1622 CA GLU A 98 -14.010 12.458 2.257 1.00 0.00 C ATOM 1623 C GLU A 98 -15.036 11.332 2.381 1.00 0.00 C ATOM 1624 O GLU A 98 -16.228 11.587 2.556 1.00 0.00 O ATOM 1625 CB GLU A 98 -14.484 13.476 1.218 1.00 0.00 C ATOM 1626 CG GLU A 98 -13.516 14.630 1.009 1.00 0.00 C ATOM 1627 CD GLU A 98 -14.009 15.925 1.624 1.00 0.00 C ATOM 1628 OE1 GLU A 98 -15.169 16.305 1.358 1.00 0.00 O ATOM 1629 OE2 GLU A 98 -13.235 16.560 2.370 1.00 0.00 O ATOM 0 H GLU A 98 -12.534 11.794 0.915 1.00 0.00 H new ATOM 0 HA GLU A 98 -13.921 12.954 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.639 12.966 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -15.450 13.875 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.550 14.371 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.357 14.777 -0.059 1.00 0.00 H new ATOM 1636 N THR A 99 -14.571 10.088 2.294 1.00 0.00 N ATOM 1637 CA THR A 99 -15.456 8.933 2.401 1.00 0.00 C ATOM 1638 C THR A 99 -15.439 8.362 3.816 1.00 0.00 C ATOM 1639 O THR A 99 -15.645 7.165 4.015 1.00 0.00 O ATOM 1640 CB THR A 99 -15.044 7.853 1.399 1.00 0.00 C ATOM 1641 OG1 THR A 99 -15.872 6.710 1.525 1.00 0.00 O ATOM 1642 CG2 THR A 99 -13.610 7.400 1.561 1.00 0.00 C ATOM 0 H THR A 99 -13.588 9.855 2.150 1.00 0.00 H new ATOM 0 HA THR A 99 -16.470 9.263 2.174 1.00 0.00 H new ATOM 0 HB THR A 99 -15.153 8.314 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 99 -15.922 6.444 2.467 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.384 6.634 0.819 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.942 8.250 1.420 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.469 6.990 2.561 1.00 0.00 H new ATOM 1650 N GLN A 100 -15.192 9.226 4.796 1.00 0.00 N ATOM 1651 CA GLN A 100 -15.149 8.809 6.192 1.00 0.00 C ATOM 1652 C GLN A 100 -16.169 9.582 7.022 1.00 0.00 C ATOM 1653 O GLN A 100 -16.933 10.387 6.490 1.00 0.00 O ATOM 1654 CB GLN A 100 -13.745 9.017 6.764 1.00 0.00 C ATOM 1655 CG GLN A 100 -13.231 10.440 6.610 1.00 0.00 C ATOM 1656 CD GLN A 100 -12.872 11.080 7.937 1.00 0.00 C ATOM 1657 OE1 GLN A 100 -13.378 10.685 8.987 1.00 0.00 O ATOM 1658 NE2 GLN A 100 -11.993 12.074 7.895 1.00 0.00 N ATOM 0 H GLN A 100 -15.019 10.220 4.648 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.399 7.749 6.237 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.750 8.753 7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.055 8.334 6.268 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -12.353 10.437 5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.990 11.044 6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.599 12.369 7.002 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.712 12.543 8.756 1.00 0.00 H new ATOM 1667 N ALA A 101 -16.176 9.333 8.327 1.00 0.00 N ATOM 1668 CA ALA A 101 -17.103 10.008 9.228 1.00 0.00 C ATOM 1669 C ALA A 101 -16.581 10.003 10.660 1.00 0.00 C ATOM 1670 O ALA A 101 -15.971 9.031 11.106 1.00 0.00 O ATOM 1671 CB ALA A 101 -18.474 9.352 9.161 1.00 0.00 C ATOM 0 H ALA A 101 -15.551 8.669 8.784 1.00 0.00 H new ATOM 0 HA ALA A 101 -17.192 11.046 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -19.156 9.865 9.838 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -18.858 9.415 8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -18.391 8.305 9.454 1.00 0.00 H new ATOM 1677 N LYS A 102 -16.824 11.096 11.376 1.00 0.00 N ATOM 1678 CA LYS A 102 -16.378 11.220 12.759 1.00 0.00 C ATOM 1679 C LYS A 102 -17.199 10.320 13.678 1.00 0.00 C ATOM 1680 O LYS A 102 -18.257 10.715 14.167 1.00 0.00 O ATOM 1681 CB LYS A 102 -16.486 12.674 13.223 1.00 0.00 C ATOM 1682 CG LYS A 102 -17.876 13.267 13.049 1.00 0.00 C ATOM 1683 CD LYS A 102 -17.884 14.394 12.027 1.00 0.00 C ATOM 1684 CE LYS A 102 -18.108 15.746 12.688 1.00 0.00 C ATOM 1685 NZ LYS A 102 -16.839 16.333 13.198 1.00 0.00 N ATOM 0 H LYS A 102 -17.328 11.909 11.021 1.00 0.00 H new ATOM 0 HA LYS A 102 -15.335 10.906 12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.204 12.733 14.274 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -15.770 13.278 12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.568 12.486 12.734 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.234 13.643 14.008 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -16.937 14.404 11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -18.668 14.213 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.561 16.430 11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -18.813 15.635 13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -17.035 17.253 13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.419 15.693 13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -16.175 16.464 12.408 1.00 0.00 H new ATOM 1699 N ARG A 103 -16.703 9.109 13.908 1.00 0.00 N ATOM 1700 CA ARG A 103 -17.390 8.153 14.769 1.00 0.00 C ATOM 1701 C ARG A 103 -16.489 6.966 15.090 1.00 0.00 C ATOM 1702 O ARG A 103 -16.941 5.821 15.129 1.00 0.00 O ATOM 1703 CB ARG A 103 -18.678 7.668 14.100 1.00 0.00 C ATOM 1704 CG ARG A 103 -19.826 7.456 15.073 1.00 0.00 C ATOM 1705 CD ARG A 103 -20.909 6.574 14.473 1.00 0.00 C ATOM 1706 NE ARG A 103 -22.249 7.028 14.838 1.00 0.00 N ATOM 1707 CZ ARG A 103 -22.731 6.992 16.079 1.00 0.00 C ATOM 1708 NH1 ARG A 103 -21.988 6.523 17.073 1.00 0.00 N ATOM 1709 NH2 ARG A 103 -23.960 7.425 16.325 1.00 0.00 N ATOM 0 H ARG A 103 -15.828 8.766 13.511 1.00 0.00 H new ATOM 0 HA ARG A 103 -17.642 8.656 15.703 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -18.981 8.394 13.346 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -18.477 6.732 13.579 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -19.449 6.999 15.988 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -20.252 8.420 15.350 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -20.811 6.568 13.387 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -20.769 5.547 14.811 1.00 0.00 H new ATOM 0 HE ARG A 103 -22.850 7.394 14.100 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -21.042 6.188 16.889 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -22.362 6.498 18.022 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -24.536 7.785 15.564 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -24.330 7.398 17.275 1.00 0.00 H new ATOM 1723 N ILE A 104 -15.210 7.247 15.320 1.00 0.00 N ATOM 1724 CA ILE A 104 -14.243 6.204 15.638 1.00 0.00 C ATOM 1725 C ILE A 104 -14.444 5.683 17.057 1.00 0.00 C ATOM 1726 O ILE A 104 -14.959 6.392 17.922 1.00 0.00 O ATOM 1727 CB ILE A 104 -12.796 6.714 15.491 1.00 0.00 C ATOM 1728 CG1 ILE A 104 -12.619 7.438 14.154 1.00 0.00 C ATOM 1729 CG2 ILE A 104 -11.812 5.559 15.612 1.00 0.00 C ATOM 1730 CD1 ILE A 104 -12.467 8.937 14.296 1.00 0.00 C ATOM 0 H ILE A 104 -14.820 8.189 15.292 1.00 0.00 H new ATOM 0 HA ILE A 104 -14.408 5.393 14.928 1.00 0.00 H new ATOM 0 HB ILE A 104 -12.593 7.423 16.294 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -11.741 7.038 13.646 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -13.479 7.226 13.518 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -10.795 5.935 15.506 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -11.924 5.086 16.588 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -12.012 4.827 14.829 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -12.346 9.385 13.310 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -13.355 9.349 14.775 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -11.591 9.158 14.905 1.00 0.00 H new TER 1742 ILE A 104