USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 786 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 100 MET CE :methyl -109:sc= -3.48! (180deg=-5.17!) USER MOD Set 1.2: A 105 ASN : amide:sc= -7.49! C(o=-11!,f=-18!) USER MOD Set 2.1: A 30 ASN : amide:sc= -3.38 K(o=-4.1,f=-6.1!) USER MOD Set 2.2: A 86 GLN : amide:sc= -0.706 K(o=-4.1,f=-13!) USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 87 HIS : no HD1:sc= -2.6 K(o=-3.3,f=-7.9!) USER MOD Set 3.3: A 90 MET CE :methyl -123:sc= -0.672 (180deg=-1.51) USER MOD Single : A 32 THR OG1 : rot -130:sc= -1.15 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.26 K(o=-2.3,f=-6.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2) USER MOD Single : A 42 GLN : amide:sc= -2.12 K(o=-2.1,f=-6.7!) USER MOD Single : A 46 SER OG : rot 88:sc= 1.25 USER MOD Single : A 53 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.75) USER MOD Single : A 54 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-3!) USER MOD Single : A 58 SER OG : rot 176:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.5!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.508 F(o=-1.5,f=-0.51) USER MOD Single : A 69 TYR OH : rot 15:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= 0.183! F(o=-0.97,f=0.18!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 96:sc= 1.17 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 76 THR OG1 : rot 72:sc= -3.08! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 38:sc= -1.53 USER MOD Single : A 82 MET CE :methyl -168:sc= -0.0279 (180deg=-0.275) USER MOD Single : A 85 MET CE :methyl -113:sc= -0.439 (180deg=-2.25!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -173:sc= 0.188 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 97 ASN :FLIP amide:sc= -1.02 F(o=-2.4,f=-1) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -1.17 F(o=-2.7!,f=-1.2) USER MOD Single : A 109 MET CE :methyl -119:sc= -9.97! (180deg=-17.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 65:sc= 0.474 USER MOD Single : A 117 SER OG : rot 105:sc= 0.168 USER MOD Single : A 119 MET CE :methyl 171:sc= -0.0824 (180deg=-0.291) USER MOD Single : A 124 GLN : amide:sc= 1.16 K(o=1.2,f=-0.32) USER MOD Single : A 125 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-4.8!) USER MOD Single : A 127 MET CE :methyl -151:sc=-0.00423 (180deg=-1.16) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 29 -11.993 19.958 -8.109 1.00 0.00 N ATOM 2 CA ASP A 29 -12.804 18.733 -8.337 1.00 0.00 C ATOM 3 C ASP A 29 -12.164 17.517 -7.676 1.00 0.00 C ATOM 4 O ASP A 29 -11.032 17.150 -7.993 1.00 0.00 O ATOM 5 CB ASP A 29 -12.933 18.508 -9.845 1.00 0.00 C ATOM 6 CG ASP A 29 -13.889 19.488 -10.496 1.00 0.00 C ATOM 7 OD1 ASP A 29 -13.490 20.652 -10.713 1.00 0.00 O ATOM 8 OD2 ASP A 29 -15.036 19.092 -10.791 1.00 0.00 O ATOM 0 HA ASP A 29 -13.789 18.868 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.951 18.600 -10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.278 17.491 -10.030 1.00 0.00 H new ATOM 13 N ASN A 30 -12.895 16.895 -6.758 1.00 0.00 N ATOM 14 CA ASN A 30 -12.398 15.719 -6.053 1.00 0.00 C ATOM 15 C ASN A 30 -13.032 14.447 -6.605 1.00 0.00 C ATOM 16 O ASN A 30 -14.225 14.419 -6.910 1.00 0.00 O ATOM 17 CB ASN A 30 -12.687 15.829 -4.553 1.00 0.00 C ATOM 18 CG ASN A 30 -12.425 17.219 -4.005 1.00 0.00 C ATOM 19 OD1 ASN A 30 -12.924 18.213 -4.535 1.00 0.00 O ATOM 20 ND2 ASN A 30 -11.639 17.295 -2.937 1.00 0.00 N ATOM 0 H ASN A 30 -13.834 17.185 -6.484 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.320 15.669 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.727 15.560 -4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.070 15.109 -4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.427 18.203 -2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.247 16.445 -2.531 1.00 0.00 H new ATOM 27 N VAL A 31 -12.230 13.393 -6.729 1.00 0.00 N ATOM 28 CA VAL A 31 -12.720 12.117 -7.241 1.00 0.00 C ATOM 29 C VAL A 31 -13.929 11.637 -6.442 1.00 0.00 C ATOM 30 O VAL A 31 -14.164 12.093 -5.323 1.00 0.00 O ATOM 31 CB VAL A 31 -11.627 11.025 -7.216 1.00 0.00 C ATOM 32 CG1 VAL A 31 -10.800 11.073 -8.491 1.00 0.00 C ATOM 33 CG2 VAL A 31 -10.734 11.170 -5.991 1.00 0.00 C ATOM 0 H VAL A 31 -11.240 13.397 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.012 12.288 -8.277 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.120 10.054 -7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.035 10.298 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.448 10.906 -9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.324 12.049 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.974 10.388 -6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.250 12.147 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.338 11.079 -5.088 1.00 0.00 H new ATOM 43 N THR A 32 -14.699 10.721 -7.025 1.00 0.00 N ATOM 44 CA THR A 32 -15.890 10.191 -6.364 1.00 0.00 C ATOM 45 C THR A 32 -15.544 9.599 -5.001 1.00 0.00 C ATOM 46 O THR A 32 -14.474 9.019 -4.819 1.00 0.00 O ATOM 47 CB THR A 32 -16.567 9.128 -7.235 1.00 0.00 C ATOM 48 OG1 THR A 32 -15.929 7.873 -7.085 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.572 9.466 -8.710 1.00 0.00 C ATOM 0 H THR A 32 -14.521 10.331 -7.951 1.00 0.00 H new ATOM 0 HA THR A 32 -16.582 11.021 -6.217 1.00 0.00 H new ATOM 0 HB THR A 32 -17.599 9.092 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.729 7.500 -7.969 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.067 8.669 -9.264 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.106 10.403 -8.867 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.546 9.570 -9.063 1.00 0.00 H new ATOM 57 N SER A 33 -16.460 9.747 -4.048 1.00 0.00 N ATOM 58 CA SER A 33 -16.255 9.224 -2.702 1.00 0.00 C ATOM 59 C SER A 33 -15.978 7.725 -2.739 1.00 0.00 C ATOM 60 O SER A 33 -15.207 7.204 -1.932 1.00 0.00 O ATOM 61 CB SER A 33 -17.480 9.506 -1.830 1.00 0.00 C ATOM 62 OG SER A 33 -18.646 8.924 -2.385 1.00 0.00 O ATOM 0 H SER A 33 -17.351 10.225 -4.183 1.00 0.00 H new ATOM 0 HA SER A 33 -15.388 9.726 -2.272 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.315 9.112 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.619 10.582 -1.730 1.00 0.00 H new ATOM 0 HG SER A 33 -19.414 9.117 -1.808 1.00 0.00 H new ATOM 68 N SER A 34 -16.605 7.038 -3.688 1.00 0.00 N ATOM 69 CA SER A 34 -16.420 5.601 -3.837 1.00 0.00 C ATOM 70 C SER A 34 -15.011 5.296 -4.328 1.00 0.00 C ATOM 71 O SER A 34 -14.446 4.249 -4.019 1.00 0.00 O ATOM 72 CB SER A 34 -17.451 5.028 -4.812 1.00 0.00 C ATOM 73 OG SER A 34 -18.571 4.504 -4.121 1.00 0.00 O ATOM 0 H SER A 34 -17.245 7.454 -4.365 1.00 0.00 H new ATOM 0 HA SER A 34 -16.561 5.133 -2.863 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.777 5.807 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.991 4.244 -5.413 1.00 0.00 H new ATOM 0 HG SER A 34 -19.215 4.146 -4.767 1.00 0.00 H new ATOM 79 N GLN A 35 -14.449 6.226 -5.092 1.00 0.00 N ATOM 80 CA GLN A 35 -13.103 6.070 -5.625 1.00 0.00 C ATOM 81 C GLN A 35 -12.069 6.196 -4.515 1.00 0.00 C ATOM 82 O GLN A 35 -11.096 5.444 -4.471 1.00 0.00 O ATOM 83 CB GLN A 35 -12.845 7.119 -6.701 1.00 0.00 C ATOM 84 CG GLN A 35 -11.952 6.634 -7.832 1.00 0.00 C ATOM 85 CD GLN A 35 -10.598 6.159 -7.344 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.314 4.962 -7.336 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.754 7.099 -6.935 1.00 0.00 N ATOM 0 H GLN A 35 -14.907 7.098 -5.356 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.017 5.077 -6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.800 7.441 -7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.387 7.994 -6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.450 5.820 -8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.812 7.441 -8.551 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.032 8.080 -6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.827 6.840 -6.597 1.00 0.00 H new ATOM 96 N LEU A 36 -12.293 7.147 -3.611 1.00 0.00 N ATOM 97 CA LEU A 36 -11.384 7.361 -2.491 1.00 0.00 C ATOM 98 C LEU A 36 -11.159 6.055 -1.742 1.00 0.00 C ATOM 99 O LEU A 36 -10.023 5.669 -1.468 1.00 0.00 O ATOM 100 CB LEU A 36 -11.947 8.420 -1.540 1.00 0.00 C ATOM 101 CG LEU A 36 -11.534 9.859 -1.852 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.027 10.024 -1.722 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.999 10.255 -3.245 1.00 0.00 C ATOM 0 H LEU A 36 -13.093 7.779 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.430 7.715 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.035 8.359 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.630 8.180 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.013 10.519 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.753 11.055 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.721 9.782 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.526 9.354 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.697 11.282 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.549 9.590 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.085 10.178 -3.302 1.00 0.00 H new ATOM 115 N LEU A 37 -12.254 5.373 -1.427 1.00 0.00 N ATOM 116 CA LEU A 37 -12.183 4.102 -0.725 1.00 0.00 C ATOM 117 C LEU A 37 -11.873 2.965 -1.697 1.00 0.00 C ATOM 118 O LEU A 37 -11.368 1.918 -1.295 1.00 0.00 O ATOM 119 CB LEU A 37 -13.494 3.824 0.018 1.00 0.00 C ATOM 120 CG LEU A 37 -14.676 3.426 -0.867 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.776 1.912 -0.975 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.971 4.009 -0.320 1.00 0.00 C ATOM 0 H LEU A 37 -13.201 5.681 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.376 4.161 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.320 3.028 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.768 4.715 0.583 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.511 3.831 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.623 1.648 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.859 1.517 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.918 1.485 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.802 3.716 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.142 3.633 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.898 5.096 -0.294 1.00 0.00 H new ATOM 134 N SER A 38 -12.172 3.176 -2.980 1.00 0.00 N ATOM 135 CA SER A 38 -11.912 2.158 -3.992 1.00 0.00 C ATOM 136 C SER A 38 -10.421 1.855 -4.077 1.00 0.00 C ATOM 137 O SER A 38 -10.021 0.726 -4.358 1.00 0.00 O ATOM 138 CB SER A 38 -12.427 2.614 -5.358 1.00 0.00 C ATOM 139 OG SER A 38 -12.138 1.653 -6.358 1.00 0.00 O ATOM 0 H SER A 38 -12.590 4.035 -3.338 1.00 0.00 H new ATOM 0 HA SER A 38 -12.440 1.250 -3.701 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.503 2.779 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.970 3.568 -5.623 1.00 0.00 H new ATOM 0 HG SER A 38 -12.479 1.967 -7.222 1.00 0.00 H new ATOM 145 N VAL A 39 -9.604 2.874 -3.833 1.00 0.00 N ATOM 146 CA VAL A 39 -8.156 2.719 -3.884 1.00 0.00 C ATOM 147 C VAL A 39 -7.606 2.240 -2.545 1.00 0.00 C ATOM 148 O VAL A 39 -6.638 1.483 -2.499 1.00 0.00 O ATOM 149 CB VAL A 39 -7.456 4.035 -4.276 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.045 3.759 -4.771 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.260 4.779 -5.332 1.00 0.00 C ATOM 0 H VAL A 39 -9.920 3.815 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.949 1.970 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.393 4.667 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.565 4.699 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.471 3.274 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.086 3.106 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.748 5.705 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.359 4.155 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.250 5.011 -4.939 1.00 0.00 H new ATOM 161 N ARG A 40 -8.230 2.679 -1.456 1.00 0.00 N ATOM 162 CA ARG A 40 -7.792 2.277 -0.124 1.00 0.00 C ATOM 163 C ARG A 40 -8.077 0.794 0.100 1.00 0.00 C ATOM 164 O ARG A 40 -7.392 0.130 0.876 1.00 0.00 O ATOM 165 CB ARG A 40 -8.477 3.137 0.952 1.00 0.00 C ATOM 166 CG ARG A 40 -8.608 2.465 2.313 1.00 0.00 C ATOM 167 CD ARG A 40 -9.998 1.882 2.516 1.00 0.00 C ATOM 168 NE ARG A 40 -10.255 1.558 3.918 1.00 0.00 N ATOM 169 CZ ARG A 40 -11.474 1.431 4.439 1.00 0.00 C ATOM 170 NH1 ARG A 40 -12.550 1.595 3.678 1.00 0.00 N ATOM 171 NH2 ARG A 40 -11.618 1.137 5.724 1.00 0.00 N ATOM 0 H ARG A 40 -9.033 3.307 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.716 2.435 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.914 4.063 1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.471 3.412 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.864 1.673 2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.398 3.190 3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.745 2.594 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.106 0.982 1.910 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.453 1.421 4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.445 1.820 2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.481 1.496 4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.795 1.008 6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.551 1.040 6.123 1.00 0.00 H new ATOM 185 N HIS A 41 -9.090 0.281 -0.591 1.00 0.00 N ATOM 186 CA HIS A 41 -9.462 -1.123 -0.473 1.00 0.00 C ATOM 187 C HIS A 41 -8.558 -1.999 -1.335 1.00 0.00 C ATOM 188 O HIS A 41 -8.234 -3.127 -0.964 1.00 0.00 O ATOM 189 CB HIS A 41 -10.922 -1.321 -0.884 1.00 0.00 C ATOM 190 CG HIS A 41 -11.893 -1.153 0.245 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.462 -2.218 0.911 1.00 0.00 N ATOM 192 CD2 HIS A 41 -12.398 -0.037 0.823 1.00 0.00 C ATOM 193 CE1 HIS A 41 -13.276 -1.764 1.848 1.00 0.00 C ATOM 194 NE2 HIS A 41 -13.254 -0.445 1.816 1.00 0.00 N ATOM 0 H HIS A 41 -9.668 0.817 -1.238 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.340 -1.419 0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.168 -0.610 -1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.039 -2.319 -1.307 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.283 -3.202 0.712 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.170 0.984 0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.860 -2.370 2.525 1.00 0.00 H new ATOM 203 N GLN A 42 -8.157 -1.474 -2.490 1.00 0.00 N ATOM 204 CA GLN A 42 -7.295 -2.214 -3.407 1.00 0.00 C ATOM 205 C GLN A 42 -5.830 -2.129 -2.984 1.00 0.00 C ATOM 206 O GLN A 42 -5.077 -3.092 -3.126 1.00 0.00 O ATOM 207 CB GLN A 42 -7.468 -1.691 -4.840 1.00 0.00 C ATOM 208 CG GLN A 42 -6.668 -0.432 -5.144 1.00 0.00 C ATOM 209 CD GLN A 42 -5.254 -0.736 -5.601 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.283 -0.380 -4.934 1.00 0.00 O ATOM 211 NE2 GLN A 42 -5.132 -1.397 -6.746 1.00 0.00 N ATOM 0 H GLN A 42 -8.415 -0.541 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.592 -3.262 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.173 -2.474 -5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.524 -1.488 -5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.180 0.142 -5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.631 0.195 -4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.964 -1.673 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.206 -1.629 -7.105 1.00 0.00 H new ATOM 220 N LEU A 43 -5.428 -0.970 -2.471 1.00 0.00 N ATOM 221 CA LEU A 43 -4.050 -0.766 -2.038 1.00 0.00 C ATOM 222 C LEU A 43 -3.756 -1.546 -0.759 1.00 0.00 C ATOM 223 O LEU A 43 -2.901 -2.432 -0.744 1.00 0.00 O ATOM 224 CB LEU A 43 -3.774 0.729 -1.818 1.00 0.00 C ATOM 225 CG LEU A 43 -2.322 1.199 -2.034 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.738 1.752 -0.742 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.441 0.075 -2.571 1.00 0.00 C ATOM 0 H LEU A 43 -6.035 -0.160 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.392 -1.137 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.420 1.297 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.067 0.984 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.344 1.993 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.713 2.078 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.336 2.599 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.747 0.975 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.425 0.444 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.432 -0.752 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.835 -0.272 -3.526 1.00 0.00 H new ATOM 239 N ALA A 44 -4.469 -1.211 0.313 1.00 0.00 N ATOM 240 CA ALA A 44 -4.284 -1.880 1.598 1.00 0.00 C ATOM 241 C ALA A 44 -4.336 -3.399 1.451 1.00 0.00 C ATOM 242 O ALA A 44 -3.518 -4.115 2.028 1.00 0.00 O ATOM 243 CB ALA A 44 -5.334 -1.412 2.594 1.00 0.00 C ATOM 0 H ALA A 44 -5.180 -0.480 0.318 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.295 -1.614 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.183 -1.919 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.245 -0.335 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.328 -1.646 2.212 1.00 0.00 H new ATOM 249 N GLU A 45 -5.303 -3.886 0.677 1.00 0.00 N ATOM 250 CA GLU A 45 -5.458 -5.321 0.458 1.00 0.00 C ATOM 251 C GLU A 45 -4.154 -5.945 -0.031 1.00 0.00 C ATOM 252 O GLU A 45 -3.698 -6.955 0.506 1.00 0.00 O ATOM 253 CB GLU A 45 -6.575 -5.586 -0.554 1.00 0.00 C ATOM 254 CG GLU A 45 -7.917 -5.899 0.088 1.00 0.00 C ATOM 255 CD GLU A 45 -8.797 -6.763 -0.793 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.506 -7.971 -0.922 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.778 -6.232 -1.355 1.00 0.00 O ATOM 0 H GLU A 45 -5.990 -3.309 0.192 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.722 -5.780 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.685 -4.714 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.284 -6.420 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.751 -6.406 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.436 -4.966 0.310 1.00 0.00 H new ATOM 264 N SER A 46 -3.559 -5.336 -1.051 1.00 0.00 N ATOM 265 CA SER A 46 -2.308 -5.831 -1.612 1.00 0.00 C ATOM 266 C SER A 46 -1.133 -5.510 -0.692 1.00 0.00 C ATOM 267 O SER A 46 -0.119 -6.209 -0.698 1.00 0.00 O ATOM 268 CB SER A 46 -2.069 -5.221 -2.994 1.00 0.00 C ATOM 269 OG SER A 46 -3.294 -4.900 -3.629 1.00 0.00 O ATOM 0 H SER A 46 -3.923 -4.499 -1.506 1.00 0.00 H new ATOM 0 HA SER A 46 -2.385 -6.914 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.459 -4.323 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.508 -5.922 -3.612 1.00 0.00 H new ATOM 0 HG SER A 46 -3.565 -3.993 -3.377 1.00 0.00 H new ATOM 275 N ALA A 47 -1.274 -4.449 0.096 1.00 0.00 N ATOM 276 CA ALA A 47 -0.224 -4.036 1.019 1.00 0.00 C ATOM 277 C ALA A 47 -0.073 -5.033 2.165 1.00 0.00 C ATOM 278 O ALA A 47 -0.375 -4.720 3.317 1.00 0.00 O ATOM 279 CB ALA A 47 -0.516 -2.644 1.560 1.00 0.00 C ATOM 0 H ALA A 47 -2.106 -3.859 0.113 1.00 0.00 H new ATOM 0 HA ALA A 47 0.718 -4.011 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.276 -2.348 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.563 -1.935 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.470 -2.651 2.086 1.00 0.00 H new ATOM 285 N GLY A 48 0.397 -6.234 1.842 1.00 0.00 N ATOM 286 CA GLY A 48 0.580 -7.255 2.858 1.00 0.00 C ATOM 287 C GLY A 48 0.720 -8.645 2.268 1.00 0.00 C ATOM 288 O GLY A 48 -0.093 -9.060 1.441 1.00 0.00 O ATOM 0 H GLY A 48 0.654 -6.518 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.468 -7.023 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.269 -7.238 3.542 1.00 0.00 H new ATOM 292 N LEU A 49 1.751 -9.368 2.695 1.00 0.00 N ATOM 293 CA LEU A 49 1.991 -10.720 2.205 1.00 0.00 C ATOM 294 C LEU A 49 1.078 -11.721 2.911 1.00 0.00 C ATOM 295 O LEU A 49 0.597 -11.460 4.014 1.00 0.00 O ATOM 296 CB LEU A 49 3.456 -11.110 2.414 1.00 0.00 C ATOM 297 CG LEU A 49 4.478 -10.037 2.028 1.00 0.00 C ATOM 298 CD1 LEU A 49 5.891 -10.593 2.110 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.196 -9.506 0.630 1.00 0.00 C ATOM 0 H LEU A 49 2.433 -9.040 3.379 1.00 0.00 H new ATOM 0 HA LEU A 49 1.768 -10.740 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.601 -11.366 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.662 -12.010 1.835 1.00 0.00 H new ATOM 0 HG LEU A 49 4.390 -9.211 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.604 -9.817 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.093 -10.924 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.990 -11.437 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.933 -8.745 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.255 -10.324 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.198 -9.069 0.601 1.00 0.00 H new ATOM 311 N PRO A 50 0.819 -12.881 2.282 1.00 0.00 N ATOM 312 CA PRO A 50 -0.047 -13.913 2.856 1.00 0.00 C ATOM 313 C PRO A 50 0.583 -14.595 4.071 1.00 0.00 C ATOM 314 O PRO A 50 0.211 -14.310 5.209 1.00 0.00 O ATOM 315 CB PRO A 50 -0.251 -14.917 1.706 1.00 0.00 C ATOM 316 CG PRO A 50 0.301 -14.253 0.486 1.00 0.00 C ATOM 317 CD PRO A 50 1.336 -13.279 0.967 1.00 0.00 C ATOM 0 HA PRO A 50 -0.982 -13.491 3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.266 -15.855 1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.307 -15.156 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.742 -14.986 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.486 -13.742 -0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.321 -13.739 1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.433 -12.426 0.295 1.00 0.00 H new ATOM 325 N ARG A 51 1.532 -15.498 3.832 1.00 0.00 N ATOM 326 CA ARG A 51 2.194 -16.209 4.921 1.00 0.00 C ATOM 327 C ARG A 51 3.639 -16.553 4.571 1.00 0.00 C ATOM 328 O ARG A 51 4.577 -16.010 5.155 1.00 0.00 O ATOM 329 CB ARG A 51 1.424 -17.486 5.264 1.00 0.00 C ATOM 330 CG ARG A 51 1.377 -17.787 6.753 1.00 0.00 C ATOM 331 CD ARG A 51 2.702 -18.343 7.251 1.00 0.00 C ATOM 332 NE ARG A 51 2.693 -19.803 7.319 1.00 0.00 N ATOM 333 CZ ARG A 51 2.131 -20.495 8.308 1.00 0.00 C ATOM 334 NH1 ARG A 51 1.531 -19.866 9.311 1.00 0.00 N ATOM 335 NH2 ARG A 51 2.169 -21.820 8.293 1.00 0.00 N ATOM 0 H ARG A 51 1.857 -15.753 2.900 1.00 0.00 H new ATOM 0 HA ARG A 51 2.206 -15.548 5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.405 -17.398 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.884 -18.328 4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.134 -16.877 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.581 -18.504 6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.504 -18.016 6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.918 -17.936 8.239 1.00 0.00 H new ATOM 0 HE ARG A 51 3.143 -20.322 6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.499 -18.847 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.102 -20.402 10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.628 -22.308 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.739 -22.351 9.050 1.00 0.00 H new ATOM 349 N ASP A 52 3.811 -17.468 3.620 1.00 0.00 N ATOM 350 CA ASP A 52 5.139 -17.899 3.197 1.00 0.00 C ATOM 351 C ASP A 52 5.988 -16.716 2.745 1.00 0.00 C ATOM 352 O ASP A 52 7.154 -16.597 3.121 1.00 0.00 O ATOM 353 CB ASP A 52 5.028 -18.921 2.064 1.00 0.00 C ATOM 354 CG ASP A 52 4.339 -20.198 2.503 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.514 -20.595 3.674 1.00 0.00 O ATOM 356 OD2 ASP A 52 3.624 -20.802 1.676 1.00 0.00 O ATOM 0 H ASP A 52 3.044 -17.926 3.127 1.00 0.00 H new ATOM 0 HA ASP A 52 5.628 -18.362 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.476 -18.480 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.025 -19.158 1.693 1.00 0.00 H new ATOM 361 N GLN A 53 5.398 -15.845 1.935 1.00 0.00 N ATOM 362 CA GLN A 53 6.103 -14.672 1.430 1.00 0.00 C ATOM 363 C GLN A 53 6.670 -13.836 2.576 1.00 0.00 C ATOM 364 O GLN A 53 7.653 -13.115 2.402 1.00 0.00 O ATOM 365 CB GLN A 53 5.167 -13.821 0.569 1.00 0.00 C ATOM 366 CG GLN A 53 5.521 -13.831 -0.909 1.00 0.00 C ATOM 367 CD GLN A 53 4.494 -13.110 -1.759 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.561 -11.894 -1.937 1.00 0.00 O ATOM 369 NE2 GLN A 53 3.534 -13.860 -2.290 1.00 0.00 N ATOM 0 H GLN A 53 4.434 -15.928 1.614 1.00 0.00 H new ATOM 0 HA GLN A 53 6.935 -15.016 0.816 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.146 -14.182 0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.188 -12.793 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.496 -13.363 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.610 -14.862 -1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.517 -14.865 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.814 -13.431 -2.871 1.00 0.00 H new ATOM 378 N HIS A 54 6.046 -13.938 3.746 1.00 0.00 N ATOM 379 CA HIS A 54 6.492 -13.191 4.916 1.00 0.00 C ATOM 380 C HIS A 54 7.529 -13.984 5.706 1.00 0.00 C ATOM 381 O HIS A 54 8.445 -13.411 6.297 1.00 0.00 O ATOM 382 CB HIS A 54 5.303 -12.848 5.815 1.00 0.00 C ATOM 383 CG HIS A 54 5.680 -12.059 7.031 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.498 -12.554 8.025 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.352 -10.801 7.409 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.657 -11.635 8.961 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.972 -10.563 8.611 1.00 0.00 N ATOM 0 H HIS A 54 5.231 -14.530 3.908 1.00 0.00 H new ATOM 0 HA HIS A 54 6.954 -12.267 4.569 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.572 -12.282 5.237 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.816 -13.772 6.128 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.721 -10.113 6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.247 -11.743 9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.913 -9.697 9.147 1.00 0.00 H new ATOM 396 N GLU A 55 7.376 -15.304 5.715 1.00 0.00 N ATOM 397 CA GLU A 55 8.296 -16.177 6.437 1.00 0.00 C ATOM 398 C GLU A 55 9.712 -16.086 5.868 1.00 0.00 C ATOM 399 O GLU A 55 10.675 -16.492 6.518 1.00 0.00 O ATOM 400 CB GLU A 55 7.802 -17.625 6.383 1.00 0.00 C ATOM 401 CG GLU A 55 7.245 -18.126 7.705 1.00 0.00 C ATOM 402 CD GLU A 55 8.229 -19.000 8.458 1.00 0.00 C ATOM 403 OE1 GLU A 55 9.036 -19.690 7.800 1.00 0.00 O ATOM 404 OE2 GLU A 55 8.194 -18.993 9.707 1.00 0.00 O ATOM 0 H GLU A 55 6.624 -15.793 5.230 1.00 0.00 H new ATOM 0 HA GLU A 55 8.327 -15.846 7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.030 -17.709 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.626 -18.270 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.972 -17.273 8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.331 -18.690 7.520 1.00 0.00 H new ATOM 411 N PHE A 56 9.835 -15.557 4.654 1.00 0.00 N ATOM 412 CA PHE A 56 11.137 -15.424 4.011 1.00 0.00 C ATOM 413 C PHE A 56 11.678 -14.002 4.156 1.00 0.00 C ATOM 414 O PHE A 56 12.836 -13.804 4.514 1.00 0.00 O ATOM 415 CB PHE A 56 11.034 -15.812 2.526 1.00 0.00 C ATOM 416 CG PHE A 56 11.921 -15.007 1.611 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.300 -15.060 1.735 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.371 -14.196 0.631 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.114 -14.320 0.899 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.181 -13.452 -0.207 1.00 0.00 C ATOM 421 CZ PHE A 56 13.554 -13.515 -0.073 1.00 0.00 C ATOM 0 H PHE A 56 9.051 -15.215 4.098 1.00 0.00 H new ATOM 0 HA PHE A 56 11.835 -16.100 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.285 -16.867 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.999 -15.697 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.744 -15.687 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.298 -14.145 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.187 -14.371 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.740 -12.822 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.189 -12.936 -0.727 1.00 0.00 H new ATOM 431 N VAL A 57 10.836 -13.021 3.860 1.00 0.00 N ATOM 432 CA VAL A 57 11.233 -11.619 3.939 1.00 0.00 C ATOM 433 C VAL A 57 11.474 -11.159 5.377 1.00 0.00 C ATOM 434 O VAL A 57 11.976 -10.058 5.599 1.00 0.00 O ATOM 435 CB VAL A 57 10.171 -10.706 3.293 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.853 -10.799 4.046 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.661 -9.266 3.239 1.00 0.00 C ATOM 0 H VAL A 57 9.872 -13.169 3.562 1.00 0.00 H new ATOM 0 HA VAL A 57 12.172 -11.540 3.392 1.00 0.00 H new ATOM 0 HB VAL A 57 10.004 -11.047 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.118 -10.147 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.493 -11.828 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.002 -10.489 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.897 -8.639 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.862 -8.912 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.576 -9.215 2.648 1.00 0.00 H new ATOM 447 N SER A 58 11.108 -11.987 6.352 1.00 0.00 N ATOM 448 CA SER A 58 11.289 -11.622 7.754 1.00 0.00 C ATOM 449 C SER A 58 12.108 -12.661 8.516 1.00 0.00 C ATOM 450 O SER A 58 12.911 -12.313 9.382 1.00 0.00 O ATOM 451 CB SER A 58 9.927 -11.444 8.429 1.00 0.00 C ATOM 452 OG SER A 58 9.999 -10.496 9.480 1.00 0.00 O ATOM 0 H SER A 58 10.689 -12.905 6.200 1.00 0.00 H new ATOM 0 HA SER A 58 11.840 -10.682 7.777 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.192 -11.120 7.692 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.584 -12.401 8.821 1.00 0.00 H new ATOM 0 HG SER A 58 9.103 -10.348 9.849 1.00 0.00 H new ATOM 458 N SER A 59 11.891 -13.934 8.208 1.00 0.00 N ATOM 459 CA SER A 59 12.603 -15.013 8.889 1.00 0.00 C ATOM 460 C SER A 59 13.891 -15.407 8.165 1.00 0.00 C ATOM 461 O SER A 59 14.690 -16.177 8.697 1.00 0.00 O ATOM 462 CB SER A 59 11.694 -16.235 9.031 1.00 0.00 C ATOM 463 OG SER A 59 11.810 -16.809 10.321 1.00 0.00 O ATOM 0 H SER A 59 11.231 -14.245 7.495 1.00 0.00 H new ATOM 0 HA SER A 59 12.882 -14.642 9.875 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.659 -15.945 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.954 -16.976 8.275 1.00 0.00 H new ATOM 0 HG SER A 59 11.218 -17.587 10.387 1.00 0.00 H new ATOM 469 N GLN A 60 14.094 -14.893 6.954 1.00 0.00 N ATOM 470 CA GLN A 60 15.293 -15.227 6.189 1.00 0.00 C ATOM 471 C GLN A 60 15.990 -13.978 5.655 1.00 0.00 C ATOM 472 O GLN A 60 17.140 -13.703 6.001 1.00 0.00 O ATOM 473 CB GLN A 60 14.937 -16.156 5.029 1.00 0.00 C ATOM 474 CG GLN A 60 13.985 -17.277 5.415 1.00 0.00 C ATOM 475 CD GLN A 60 14.674 -18.389 6.180 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.902 -18.434 6.263 1.00 0.00 O ATOM 477 NE2 GLN A 60 13.885 -19.296 6.745 1.00 0.00 N ATOM 0 H GLN A 60 13.453 -14.252 6.486 1.00 0.00 H new ATOM 0 HA GLN A 60 15.982 -15.734 6.865 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.487 -15.568 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.853 -16.591 4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.177 -16.869 6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.530 -17.689 4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.872 -19.220 6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.292 -20.068 7.273 1.00 0.00 H new ATOM 486 N ALA A 61 15.293 -13.235 4.800 1.00 0.00 N ATOM 487 CA ALA A 61 15.841 -12.020 4.199 1.00 0.00 C ATOM 488 C ALA A 61 16.609 -11.176 5.217 1.00 0.00 C ATOM 489 O ALA A 61 16.294 -11.183 6.407 1.00 0.00 O ATOM 490 CB ALA A 61 14.726 -11.198 3.571 1.00 0.00 C ATOM 0 H ALA A 61 14.341 -13.454 4.505 1.00 0.00 H new ATOM 0 HA ALA A 61 16.546 -12.324 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.145 -10.295 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.231 -11.787 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.002 -10.922 4.337 1.00 0.00 H new ATOM 496 N PRO A 62 17.633 -10.435 4.756 1.00 0.00 N ATOM 497 CA PRO A 62 18.449 -9.582 5.627 1.00 0.00 C ATOM 498 C PRO A 62 17.693 -8.343 6.094 1.00 0.00 C ATOM 499 O PRO A 62 16.698 -7.947 5.487 1.00 0.00 O ATOM 500 CB PRO A 62 19.624 -9.186 4.732 1.00 0.00 C ATOM 501 CG PRO A 62 19.081 -9.253 3.347 1.00 0.00 C ATOM 502 CD PRO A 62 18.074 -10.371 3.349 1.00 0.00 C ATOM 0 HA PRO A 62 18.746 -10.096 6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.983 -8.184 4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.467 -9.865 4.861 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.615 -8.309 3.065 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.875 -9.445 2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.242 -10.163 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.518 -11.312 3.024 1.00 0.00 H new ATOM 510 N GLN A 63 18.170 -7.735 7.177 1.00 0.00 N ATOM 511 CA GLN A 63 17.534 -6.540 7.725 1.00 0.00 C ATOM 512 C GLN A 63 17.306 -5.491 6.639 1.00 0.00 C ATOM 513 O GLN A 63 16.353 -4.715 6.702 1.00 0.00 O ATOM 514 CB GLN A 63 18.384 -5.952 8.856 1.00 0.00 C ATOM 515 CG GLN A 63 19.701 -5.350 8.390 1.00 0.00 C ATOM 516 CD GLN A 63 20.907 -6.116 8.898 1.00 0.00 C ATOM 517 OE1 GLN A 63 21.198 -7.218 8.433 1.00 0.00 O ATOM 518 NE2 GLN A 63 21.616 -5.534 9.859 1.00 0.00 N ATOM 0 H GLN A 63 18.993 -8.049 7.692 1.00 0.00 H new ATOM 0 HA GLN A 63 16.564 -6.831 8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 63 17.806 -5.183 9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 63 18.592 -6.735 9.585 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.721 -5.330 7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 63 19.763 -4.316 8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 63 21.338 -4.619 10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 63 22.438 -6.002 10.241 1.00 0.00 H new ATOM 527 N SER A 64 18.184 -5.479 5.640 1.00 0.00 N ATOM 528 CA SER A 64 18.073 -4.530 4.539 1.00 0.00 C ATOM 529 C SER A 64 16.755 -4.724 3.799 1.00 0.00 C ATOM 530 O SER A 64 16.048 -3.761 3.503 1.00 0.00 O ATOM 531 CB SER A 64 19.246 -4.695 3.572 1.00 0.00 C ATOM 532 OG SER A 64 19.213 -3.709 2.555 1.00 0.00 O ATOM 0 H SER A 64 18.979 -6.115 5.571 1.00 0.00 H new ATOM 0 HA SER A 64 18.098 -3.521 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 64 20.186 -4.625 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.213 -5.687 3.122 1.00 0.00 H new ATOM 0 HG SER A 64 19.974 -3.836 1.951 1.00 0.00 H new ATOM 538 N LEU A 65 16.428 -5.979 3.509 1.00 0.00 N ATOM 539 CA LEU A 65 15.190 -6.304 2.812 1.00 0.00 C ATOM 540 C LEU A 65 13.988 -6.031 3.708 1.00 0.00 C ATOM 541 O LEU A 65 12.928 -5.620 3.236 1.00 0.00 O ATOM 542 CB LEU A 65 15.197 -7.770 2.372 1.00 0.00 C ATOM 543 CG LEU A 65 14.418 -8.067 1.089 1.00 0.00 C ATOM 544 CD1 LEU A 65 12.959 -7.669 1.247 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.047 -7.346 -0.096 1.00 0.00 C ATOM 0 H LEU A 65 17.003 -6.787 3.746 1.00 0.00 H new ATOM 0 HA LEU A 65 15.116 -5.672 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.231 -8.086 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.784 -8.377 3.178 1.00 0.00 H new ATOM 0 HG LEU A 65 14.461 -9.139 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.420 -7.887 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.515 -8.232 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.894 -6.602 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.480 -7.569 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.035 -6.271 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.076 -7.682 -0.221 1.00 0.00 H new ATOM 557 N ARG A 66 14.165 -6.258 5.006 1.00 0.00 N ATOM 558 CA ARG A 66 13.100 -6.031 5.975 1.00 0.00 C ATOM 559 C ARG A 66 12.815 -4.540 6.118 1.00 0.00 C ATOM 560 O ARG A 66 11.665 -4.128 6.271 1.00 0.00 O ATOM 561 CB ARG A 66 13.481 -6.622 7.333 1.00 0.00 C ATOM 562 CG ARG A 66 13.655 -8.132 7.312 1.00 0.00 C ATOM 563 CD ARG A 66 14.135 -8.660 8.655 1.00 0.00 C ATOM 564 NE ARG A 66 15.459 -9.271 8.561 1.00 0.00 N ATOM 565 CZ ARG A 66 15.958 -10.104 9.472 1.00 0.00 C ATOM 566 NH1 ARG A 66 15.248 -10.427 10.545 1.00 0.00 N ATOM 567 NH2 ARG A 66 17.170 -10.616 9.308 1.00 0.00 N ATOM 0 H ARG A 66 15.037 -6.599 5.411 1.00 0.00 H new ATOM 0 HA ARG A 66 12.198 -6.526 5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.409 -6.162 7.672 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.712 -6.363 8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.707 -8.604 7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.370 -8.405 6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.163 -7.844 9.377 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.423 -9.394 9.032 1.00 0.00 H new ATOM 0 HE ARG A 66 16.035 -9.046 7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.315 -10.037 10.675 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.635 -11.066 11.240 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.720 -10.372 8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.553 -11.254 10.006 1.00 0.00 H new ATOM 581 N ASN A 67 13.872 -3.736 6.061 1.00 0.00 N ATOM 582 CA ASN A 67 13.741 -2.289 6.178 1.00 0.00 C ATOM 583 C ASN A 67 12.843 -1.740 5.074 1.00 0.00 C ATOM 584 O ASN A 67 12.076 -0.802 5.290 1.00 0.00 O ATOM 585 CB ASN A 67 15.117 -1.624 6.111 1.00 0.00 C ATOM 586 CG ASN A 67 15.847 -1.667 7.441 1.00 0.00 C ATOM 587 OD1 ASN A 67 16.995 -2.336 7.466 1.00 0.00 O flip ATOM 588 ND2 ASN A 67 15.384 -1.106 8.434 1.00 0.00 N flip ATOM 0 H ASN A 67 14.830 -4.063 5.934 1.00 0.00 H new ATOM 0 HA ASN A 67 13.285 -2.064 7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.721 -2.121 5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.001 -0.587 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.499 -0.603 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.886 -1.144 9.321 1.00 0.00 H new ATOM 595 N ARG A 68 12.943 -2.338 3.891 1.00 0.00 N ATOM 596 CA ARG A 68 12.140 -1.919 2.748 1.00 0.00 C ATOM 597 C ARG A 68 10.667 -2.245 2.974 1.00 0.00 C ATOM 598 O ARG A 68 9.783 -1.502 2.549 1.00 0.00 O ATOM 599 CB ARG A 68 12.637 -2.610 1.476 1.00 0.00 C ATOM 600 CG ARG A 68 13.271 -1.662 0.473 1.00 0.00 C ATOM 601 CD ARG A 68 13.194 -2.219 -0.938 1.00 0.00 C ATOM 602 NE ARG A 68 13.584 -1.231 -1.941 1.00 0.00 N ATOM 603 CZ ARG A 68 13.269 -1.319 -3.231 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.560 -2.347 -3.680 1.00 0.00 N ATOM 605 NH2 ARG A 68 13.664 -0.376 -4.075 1.00 0.00 N ATOM 0 H ARG A 68 13.574 -3.116 3.699 1.00 0.00 H new ATOM 0 HA ARG A 68 12.242 -0.840 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.364 -3.375 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.800 -3.121 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.767 -0.696 0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.313 -1.489 0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.842 -3.092 -1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.177 -2.557 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 68 14.130 -0.426 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.253 -3.075 -3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.322 -2.409 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.209 0.416 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.423 -0.443 -5.064 1.00 0.00 H new ATOM 619 N TYR A 69 10.415 -3.365 3.644 1.00 0.00 N ATOM 620 CA TYR A 69 9.053 -3.805 3.929 1.00 0.00 C ATOM 621 C TYR A 69 8.256 -2.716 4.644 1.00 0.00 C ATOM 622 O TYR A 69 7.306 -2.165 4.089 1.00 0.00 O ATOM 623 CB TYR A 69 9.081 -5.075 4.781 1.00 0.00 C ATOM 624 CG TYR A 69 7.751 -5.791 4.853 1.00 0.00 C ATOM 625 CD1 TYR A 69 6.664 -5.215 5.498 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.584 -7.044 4.277 1.00 0.00 C ATOM 627 CE1 TYR A 69 5.448 -5.867 5.568 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.372 -7.702 4.342 1.00 0.00 C ATOM 629 CZ TYR A 69 5.307 -7.110 4.988 1.00 0.00 C ATOM 630 OH TYR A 69 4.098 -7.763 5.055 1.00 0.00 O ATOM 0 H TYR A 69 11.140 -3.987 4.001 1.00 0.00 H new ATOM 0 HA TYR A 69 8.561 -4.016 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.829 -5.757 4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.399 -4.817 5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.771 -4.241 5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.416 -7.511 3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.613 -5.406 6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.258 -8.676 3.889 1.00 0.00 H new ATOM 0 HH TYR A 69 3.399 -7.131 5.324 1.00 0.00 H new ATOM 640 N ASN A 70 8.646 -2.416 5.878 1.00 0.00 N ATOM 641 CA ASN A 70 7.964 -1.398 6.669 1.00 0.00 C ATOM 642 C ASN A 70 8.046 -0.031 5.994 1.00 0.00 C ATOM 643 O ASN A 70 7.147 0.797 6.138 1.00 0.00 O ATOM 644 CB ASN A 70 8.568 -1.326 8.073 1.00 0.00 C ATOM 645 CG ASN A 70 7.511 -1.367 9.160 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.127 -0.333 9.707 1.00 0.00 O ATOM 647 ND2 ASN A 70 7.035 -2.565 9.477 1.00 0.00 N ATOM 0 H ASN A 70 9.431 -2.863 6.352 1.00 0.00 H new ATOM 0 HA ASN A 70 6.913 -1.678 6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.260 -2.157 8.211 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.149 -0.409 8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.322 -2.655 10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.383 -3.395 8.997 1.00 0.00 H new ATOM 654 N ASN A 71 9.131 0.199 5.262 1.00 0.00 N ATOM 655 CA ASN A 71 9.331 1.467 4.569 1.00 0.00 C ATOM 656 C ASN A 71 8.212 1.728 3.564 1.00 0.00 C ATOM 657 O ASN A 71 7.431 2.668 3.719 1.00 0.00 O ATOM 658 CB ASN A 71 10.684 1.473 3.855 1.00 0.00 C ATOM 659 CG ASN A 71 11.763 2.161 4.668 1.00 0.00 C ATOM 660 OD1 ASN A 71 12.196 3.329 4.208 1.00 0.00 O flip ATOM 661 ND2 ASN A 71 12.201 1.650 5.699 1.00 0.00 N flip ATOM 0 H ASN A 71 9.885 -0.476 5.133 1.00 0.00 H new ATOM 0 HA ASN A 71 9.315 2.263 5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.987 0.447 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.582 1.975 2.893 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.839 0.750 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.926 2.126 6.236 1.00 0.00 H new ATOM 668 N LEU A 72 8.142 0.894 2.532 1.00 0.00 N ATOM 669 CA LEU A 72 7.121 1.040 1.500 1.00 0.00 C ATOM 670 C LEU A 72 5.720 1.020 2.103 1.00 0.00 C ATOM 671 O LEU A 72 4.828 1.738 1.649 1.00 0.00 O ATOM 672 CB LEU A 72 7.255 -0.072 0.457 1.00 0.00 C ATOM 673 CG LEU A 72 7.155 -1.496 1.008 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.699 -1.892 1.211 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.853 -2.476 0.076 1.00 0.00 C ATOM 0 H LEU A 72 8.779 0.111 2.388 1.00 0.00 H new ATOM 0 HA LEU A 72 7.272 2.005 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.480 0.064 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.215 0.039 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 72 7.654 -1.527 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.649 -2.908 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.231 -1.207 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.173 -1.845 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.773 -3.484 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.382 -2.442 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.905 -2.204 -0.016 1.00 0.00 H new ATOM 687 N TYR A 73 5.528 0.194 3.127 1.00 0.00 N ATOM 688 CA TYR A 73 4.230 0.089 3.780 1.00 0.00 C ATOM 689 C TYR A 73 3.932 1.330 4.612 1.00 0.00 C ATOM 690 O TYR A 73 2.780 1.748 4.725 1.00 0.00 O ATOM 691 CB TYR A 73 4.165 -1.161 4.660 1.00 0.00 C ATOM 692 CG TYR A 73 2.756 -1.540 5.062 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.699 -1.412 4.168 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.482 -2.020 6.337 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.412 -1.752 4.532 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.196 -2.364 6.708 1.00 0.00 C ATOM 697 CZ TYR A 73 0.164 -2.228 5.802 1.00 0.00 C ATOM 698 OH TYR A 73 -1.118 -2.568 6.168 1.00 0.00 O ATOM 0 H TYR A 73 6.251 -0.409 3.520 1.00 0.00 H new ATOM 0 HA TYR A 73 3.473 0.008 3.000 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.620 -1.996 4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.759 -0.995 5.559 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.888 -1.040 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.287 -2.126 7.049 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.398 -1.646 3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.000 -2.737 7.702 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.120 -2.887 7.095 1.00 0.00 H new ATOM 708 N SER A 74 4.974 1.923 5.190 1.00 0.00 N ATOM 709 CA SER A 74 4.809 3.123 6.004 1.00 0.00 C ATOM 710 C SER A 74 4.055 4.194 5.224 1.00 0.00 C ATOM 711 O SER A 74 3.214 4.905 5.774 1.00 0.00 O ATOM 712 CB SER A 74 6.171 3.660 6.451 1.00 0.00 C ATOM 713 OG SER A 74 6.726 2.854 7.475 1.00 0.00 O ATOM 0 H SER A 74 5.936 1.594 5.110 1.00 0.00 H new ATOM 0 HA SER A 74 4.230 2.860 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.851 3.690 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.062 4.684 6.809 1.00 0.00 H new ATOM 0 HG SER A 74 7.341 2.201 7.080 1.00 0.00 H new ATOM 719 N HIS A 75 4.357 4.291 3.933 1.00 0.00 N ATOM 720 CA HIS A 75 3.703 5.262 3.066 1.00 0.00 C ATOM 721 C HIS A 75 2.314 4.774 2.661 1.00 0.00 C ATOM 722 O HIS A 75 1.437 5.571 2.334 1.00 0.00 O ATOM 723 CB HIS A 75 4.551 5.517 1.818 1.00 0.00 C ATOM 724 CG HIS A 75 5.932 6.009 2.123 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.187 7.256 2.653 1.00 0.00 N ATOM 726 CD2 HIS A 75 7.139 5.414 1.969 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.490 7.407 2.811 1.00 0.00 C ATOM 728 NE2 HIS A 75 8.090 6.303 2.404 1.00 0.00 N ATOM 0 H HIS A 75 5.051 3.708 3.465 1.00 0.00 H new ATOM 0 HA HIS A 75 3.597 6.195 3.619 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.622 4.594 1.242 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.045 6.248 1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.320 4.424 1.577 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.981 8.284 3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.097 6.138 2.412 1.00 0.00 H new ATOM 737 N THR A 76 2.123 3.457 2.684 1.00 0.00 N ATOM 738 CA THR A 76 0.840 2.864 2.320 1.00 0.00 C ATOM 739 C THR A 76 -0.201 3.094 3.412 1.00 0.00 C ATOM 740 O THR A 76 -1.337 3.475 3.131 1.00 0.00 O ATOM 741 CB THR A 76 1.002 1.362 2.072 1.00 0.00 C ATOM 742 OG1 THR A 76 1.892 1.123 0.997 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.303 0.663 1.754 1.00 0.00 C ATOM 0 H THR A 76 2.839 2.782 2.950 1.00 0.00 H new ATOM 0 HA THR A 76 0.495 3.347 1.406 1.00 0.00 H new ATOM 0 HB THR A 76 1.394 0.957 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.808 1.326 1.279 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.117 -0.398 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.994 0.785 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.739 1.098 0.855 1.00 0.00 H new ATOM 751 N GLN A 77 0.192 2.846 4.656 1.00 0.00 N ATOM 752 CA GLN A 77 -0.708 3.011 5.792 1.00 0.00 C ATOM 753 C GLN A 77 -1.161 4.461 5.943 1.00 0.00 C ATOM 754 O GLN A 77 -2.309 4.725 6.301 1.00 0.00 O ATOM 755 CB GLN A 77 -0.027 2.543 7.079 1.00 0.00 C ATOM 756 CG GLN A 77 1.311 3.214 7.340 1.00 0.00 C ATOM 757 CD GLN A 77 1.757 3.083 8.782 1.00 0.00 C ATOM 758 OE1 GLN A 77 2.510 2.173 9.131 1.00 0.00 O ATOM 759 NE2 GLN A 77 1.294 3.994 9.630 1.00 0.00 N ATOM 0 H GLN A 77 1.129 2.529 4.904 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.591 2.399 5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.691 2.736 7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.121 1.464 7.030 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.067 2.775 6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.241 4.270 7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.672 4.731 9.297 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.560 3.957 10.614 1.00 0.00 H new ATOM 768 N ARG A 78 -0.256 5.399 5.680 1.00 0.00 N ATOM 769 CA ARG A 78 -0.575 6.818 5.802 1.00 0.00 C ATOM 770 C ARG A 78 -1.379 7.314 4.602 1.00 0.00 C ATOM 771 O ARG A 78 -2.154 8.264 4.716 1.00 0.00 O ATOM 772 CB ARG A 78 0.707 7.643 5.953 1.00 0.00 C ATOM 773 CG ARG A 78 1.555 7.698 4.692 1.00 0.00 C ATOM 774 CD ARG A 78 1.084 8.794 3.749 1.00 0.00 C ATOM 775 NE ARG A 78 2.068 9.867 3.621 1.00 0.00 N ATOM 776 CZ ARG A 78 3.133 9.807 2.824 1.00 0.00 C ATOM 777 NH1 ARG A 78 3.359 8.727 2.086 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.974 10.829 2.765 1.00 0.00 N ATOM 0 H ARG A 78 0.700 5.204 5.382 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.188 6.944 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.442 8.659 6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.304 7.224 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.597 7.871 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.513 6.735 4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.885 8.366 2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.143 9.206 4.114 1.00 0.00 H new ATOM 0 HE ARG A 78 1.931 10.712 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.715 7.937 2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.177 8.687 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.806 11.661 3.330 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.790 10.783 2.155 1.00 0.00 H new ATOM 792 N THR A 79 -1.190 6.673 3.453 1.00 0.00 N ATOM 793 CA THR A 79 -1.902 7.062 2.239 1.00 0.00 C ATOM 794 C THR A 79 -3.381 6.704 2.331 1.00 0.00 C ATOM 795 O THR A 79 -4.246 7.530 2.040 1.00 0.00 O ATOM 796 CB THR A 79 -1.281 6.390 1.015 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.782 5.107 1.345 1.00 0.00 O ATOM 798 CG2 THR A 79 -0.144 7.184 0.409 1.00 0.00 C ATOM 0 H THR A 79 -0.553 5.885 3.336 1.00 0.00 H new ATOM 0 HA THR A 79 -1.814 8.143 2.135 1.00 0.00 H new ATOM 0 HB THR A 79 -2.086 6.323 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.391 4.672 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.252 6.651 -0.456 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.509 8.162 0.096 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.646 7.312 1.149 1.00 0.00 H new ATOM 806 N LEU A 80 -3.668 5.470 2.735 1.00 0.00 N ATOM 807 CA LEU A 80 -5.047 5.012 2.860 1.00 0.00 C ATOM 808 C LEU A 80 -5.842 5.924 3.790 1.00 0.00 C ATOM 809 O LEU A 80 -7.048 6.102 3.619 1.00 0.00 O ATOM 810 CB LEU A 80 -5.094 3.574 3.380 1.00 0.00 C ATOM 811 CG LEU A 80 -4.209 2.572 2.631 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.637 1.542 3.593 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.003 1.891 1.530 1.00 0.00 C ATOM 0 H LEU A 80 -2.966 4.772 2.981 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.499 5.044 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.802 3.576 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.125 3.224 3.337 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.379 3.113 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.011 0.839 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.037 2.046 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.452 1.002 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.363 1.182 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.850 1.362 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.367 2.640 0.827 1.00 0.00 H new ATOM 825 N ASP A 81 -5.158 6.503 4.773 1.00 0.00 N ATOM 826 CA ASP A 81 -5.801 7.399 5.728 1.00 0.00 C ATOM 827 C ASP A 81 -6.483 8.557 5.007 1.00 0.00 C ATOM 828 O ASP A 81 -7.673 8.807 5.197 1.00 0.00 O ATOM 829 CB ASP A 81 -4.774 7.935 6.729 1.00 0.00 C ATOM 830 CG ASP A 81 -5.196 7.707 8.168 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.415 7.606 8.420 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.307 7.631 9.042 1.00 0.00 O ATOM 0 H ASP A 81 -4.159 6.368 4.929 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.560 6.833 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.813 7.451 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.629 9.002 6.560 1.00 0.00 H new ATOM 837 N MET A 82 -5.722 9.257 4.171 1.00 0.00 N ATOM 838 CA MET A 82 -6.254 10.382 3.413 1.00 0.00 C ATOM 839 C MET A 82 -7.394 9.932 2.502 1.00 0.00 C ATOM 840 O MET A 82 -8.214 10.743 2.071 1.00 0.00 O ATOM 841 CB MET A 82 -5.144 11.033 2.583 1.00 0.00 C ATOM 842 CG MET A 82 -4.278 11.998 3.376 1.00 0.00 C ATOM 843 SD MET A 82 -3.205 12.994 2.323 1.00 0.00 S ATOM 844 CE MET A 82 -2.226 11.719 1.534 1.00 0.00 C ATOM 0 H MET A 82 -4.735 9.064 4.002 1.00 0.00 H new ATOM 0 HA MET A 82 -6.646 11.114 4.119 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.511 10.252 2.162 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.593 11.566 1.745 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.918 12.657 3.962 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.667 11.436 4.082 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.381 12.176 1.019 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.859 11.023 2.288 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.842 11.181 0.813 1.00 0.00 H new ATOM 854 N ALA A 83 -7.442 8.633 2.215 1.00 0.00 N ATOM 855 CA ALA A 83 -8.481 8.075 1.359 1.00 0.00 C ATOM 856 C ALA A 83 -9.830 8.059 2.072 1.00 0.00 C ATOM 857 O ALA A 83 -10.801 8.648 1.597 1.00 0.00 O ATOM 858 CB ALA A 83 -8.098 6.670 0.914 1.00 0.00 C ATOM 0 H ALA A 83 -6.772 7.948 2.564 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.574 8.711 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.882 6.264 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.161 6.707 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.976 6.032 1.789 1.00 0.00 H new ATOM 864 N ASP A 84 -9.884 7.377 3.212 1.00 0.00 N ATOM 865 CA ASP A 84 -11.115 7.278 3.989 1.00 0.00 C ATOM 866 C ASP A 84 -11.291 8.490 4.902 1.00 0.00 C ATOM 867 O ASP A 84 -11.467 8.348 6.113 1.00 0.00 O ATOM 868 CB ASP A 84 -11.114 5.994 4.820 1.00 0.00 C ATOM 869 CG ASP A 84 -9.854 5.842 5.649 1.00 0.00 C ATOM 870 OD1 ASP A 84 -9.659 6.645 6.585 1.00 0.00 O ATOM 871 OD2 ASP A 84 -9.061 4.920 5.361 1.00 0.00 O ATOM 0 H ASP A 84 -9.089 6.884 3.619 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.952 7.253 3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.982 5.991 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.215 5.135 4.156 1.00 0.00 H new ATOM 876 N MET A 85 -11.246 9.682 4.316 1.00 0.00 N ATOM 877 CA MET A 85 -11.403 10.915 5.079 1.00 0.00 C ATOM 878 C MET A 85 -12.439 11.830 4.431 1.00 0.00 C ATOM 879 O MET A 85 -13.308 12.379 5.108 1.00 0.00 O ATOM 880 CB MET A 85 -10.063 11.644 5.192 1.00 0.00 C ATOM 881 CG MET A 85 -9.982 12.590 6.378 1.00 0.00 C ATOM 882 SD MET A 85 -9.685 11.730 7.935 1.00 0.00 S ATOM 883 CE MET A 85 -8.130 12.462 8.435 1.00 0.00 C ATOM 0 H MET A 85 -11.102 9.820 3.316 1.00 0.00 H new ATOM 0 HA MET A 85 -11.752 10.652 6.078 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.264 10.907 5.271 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.887 12.208 4.276 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.183 13.312 6.208 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.911 13.155 6.451 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.345 11.706 8.404 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.876 13.276 7.756 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.220 12.850 9.450 1.00 0.00 H new ATOM 893 N GLN A 86 -12.334 11.992 3.116 1.00 0.00 N ATOM 894 CA GLN A 86 -13.255 12.845 2.370 1.00 0.00 C ATOM 895 C GLN A 86 -14.707 12.410 2.562 1.00 0.00 C ATOM 896 O GLN A 86 -15.629 13.203 2.371 1.00 0.00 O ATOM 897 CB GLN A 86 -12.901 12.829 0.882 1.00 0.00 C ATOM 898 CG GLN A 86 -13.691 13.833 0.059 1.00 0.00 C ATOM 899 CD GLN A 86 -13.134 14.004 -1.341 1.00 0.00 C ATOM 900 OE1 GLN A 86 -12.596 15.058 -1.683 1.00 0.00 O ATOM 901 NE2 GLN A 86 -13.262 12.967 -2.160 1.00 0.00 N ATOM 0 H GLN A 86 -11.619 11.543 2.543 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.153 13.859 2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.837 13.035 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.076 11.829 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -14.730 13.509 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.688 14.797 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.715 12.113 -1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.908 13.024 -3.115 1.00 0.00 H new ATOM 910 N HIS A 87 -14.907 11.148 2.933 1.00 0.00 N ATOM 911 CA HIS A 87 -16.252 10.618 3.142 1.00 0.00 C ATOM 912 C HIS A 87 -16.912 11.258 4.360 1.00 0.00 C ATOM 913 O HIS A 87 -17.089 10.616 5.395 1.00 0.00 O ATOM 914 CB HIS A 87 -16.206 9.099 3.310 1.00 0.00 C ATOM 915 CG HIS A 87 -15.354 8.408 2.292 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.004 8.191 2.466 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.666 7.880 1.085 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.522 7.560 1.410 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.511 7.359 0.558 1.00 0.00 N ATOM 0 H HIS A 87 -14.158 10.475 3.095 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.848 10.861 2.262 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.830 8.863 4.306 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.220 8.705 3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.642 7.871 0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.494 7.260 1.268 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.430 6.892 -0.345 1.00 0.00 H new ATOM 928 N ARG A 88 -17.274 12.530 4.229 1.00 0.00 N ATOM 929 CA ARG A 88 -17.915 13.265 5.317 1.00 0.00 C ATOM 930 C ARG A 88 -19.152 12.531 5.833 1.00 0.00 C ATOM 931 O ARG A 88 -19.573 12.734 6.972 1.00 0.00 O ATOM 932 CB ARG A 88 -18.310 14.672 4.854 1.00 0.00 C ATOM 933 CG ARG A 88 -17.279 15.339 3.956 1.00 0.00 C ATOM 934 CD ARG A 88 -17.237 16.844 4.173 1.00 0.00 C ATOM 935 NE ARG A 88 -17.478 17.582 2.935 1.00 0.00 N ATOM 936 CZ ARG A 88 -18.657 17.632 2.319 1.00 0.00 C ATOM 937 NH1 ARG A 88 -19.704 16.989 2.822 1.00 0.00 N ATOM 938 NH2 ARG A 88 -18.790 18.326 1.197 1.00 0.00 N ATOM 0 H ARG A 88 -17.135 13.076 3.379 1.00 0.00 H new ATOM 0 HA ARG A 88 -17.194 13.340 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -19.259 14.615 4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -18.474 15.299 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.295 14.915 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -17.513 15.128 2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.986 17.125 4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.265 17.125 4.579 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.697 18.089 2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -19.607 16.453 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -20.605 17.031 2.346 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.989 18.822 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.693 18.364 0.725 1.00 0.00 H new ATOM 952 N TYR A 89 -19.736 11.687 4.988 1.00 0.00 N ATOM 953 CA TYR A 89 -20.930 10.937 5.361 1.00 0.00 C ATOM 954 C TYR A 89 -20.573 9.601 6.008 1.00 0.00 C ATOM 955 O TYR A 89 -21.207 9.182 6.977 1.00 0.00 O ATOM 956 CB TYR A 89 -21.808 10.698 4.132 1.00 0.00 C ATOM 957 CG TYR A 89 -23.288 10.660 4.440 1.00 0.00 C ATOM 958 CD1 TYR A 89 -23.905 11.712 5.105 1.00 0.00 C ATOM 959 CD2 TYR A 89 -24.067 9.573 4.064 1.00 0.00 C ATOM 960 CE1 TYR A 89 -25.258 11.681 5.388 1.00 0.00 C ATOM 961 CE2 TYR A 89 -25.420 9.536 4.343 1.00 0.00 C ATOM 962 CZ TYR A 89 -26.010 10.591 5.004 1.00 0.00 C ATOM 963 OH TYR A 89 -27.357 10.557 5.284 1.00 0.00 O ATOM 0 H TYR A 89 -19.402 11.506 4.041 1.00 0.00 H new ATOM 0 HA TYR A 89 -21.479 11.531 6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -21.618 11.485 3.402 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -21.518 9.756 3.667 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -23.319 12.568 5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -23.608 8.744 3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -25.723 12.506 5.907 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -26.012 8.684 4.044 1.00 0.00 H new ATOM 0 HH TYR A 89 -27.740 9.721 4.946 1.00 0.00 H new ATOM 973 N MET A 90 -19.564 8.929 5.463 1.00 0.00 N ATOM 974 CA MET A 90 -19.139 7.634 5.987 1.00 0.00 C ATOM 975 C MET A 90 -18.180 7.792 7.163 1.00 0.00 C ATOM 976 O MET A 90 -18.498 7.408 8.289 1.00 0.00 O ATOM 977 CB MET A 90 -18.478 6.806 4.884 1.00 0.00 C ATOM 978 CG MET A 90 -19.382 6.556 3.687 1.00 0.00 C ATOM 979 SD MET A 90 -18.499 6.646 2.117 1.00 0.00 S ATOM 980 CE MET A 90 -19.146 8.177 1.453 1.00 0.00 C ATOM 0 H MET A 90 -19.026 9.258 4.661 1.00 0.00 H new ATOM 0 HA MET A 90 -20.028 7.115 6.344 1.00 0.00 H new ATOM 0 HB2 MET A 90 -17.577 7.318 4.547 1.00 0.00 H new ATOM 0 HB3 MET A 90 -18.165 5.848 5.299 1.00 0.00 H new ATOM 0 HG2 MET A 90 -19.843 5.573 3.784 1.00 0.00 H new ATOM 0 HG3 MET A 90 -20.189 7.288 3.688 1.00 0.00 H new ATOM 0 HE1 MET A 90 -19.597 7.989 0.479 1.00 0.00 H new ATOM 0 HE2 MET A 90 -19.900 8.578 2.131 1.00 0.00 H new ATOM 0 HE3 MET A 90 -18.336 8.898 1.345 1.00 0.00 H new ATOM 990 N THR A 91 -17.002 8.348 6.898 1.00 0.00 N ATOM 991 CA THR A 91 -15.999 8.541 7.940 1.00 0.00 C ATOM 992 C THR A 91 -16.109 9.930 8.559 1.00 0.00 C ATOM 993 O THR A 91 -17.069 10.659 8.309 1.00 0.00 O ATOM 994 CB THR A 91 -14.595 8.329 7.372 1.00 0.00 C ATOM 995 OG1 THR A 91 -13.622 8.404 8.399 1.00 0.00 O ATOM 996 CG2 THR A 91 -14.217 9.338 6.309 1.00 0.00 C ATOM 0 H THR A 91 -16.719 8.672 5.973 1.00 0.00 H new ATOM 0 HA THR A 91 -16.181 7.804 8.722 1.00 0.00 H new ATOM 0 HB THR A 91 -14.616 7.339 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 91 -12.726 8.374 8.003 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.209 9.128 5.950 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.919 9.271 5.478 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.250 10.342 6.732 1.00 0.00 H new ATOM 1004 N GLY A 92 -15.121 10.287 9.373 1.00 0.00 N ATOM 1005 CA GLY A 92 -15.126 11.585 10.021 1.00 0.00 C ATOM 1006 C GLY A 92 -14.329 12.622 9.255 1.00 0.00 C ATOM 1007 O GLY A 92 -13.117 12.741 9.433 1.00 0.00 O ATOM 0 H GLY A 92 -14.317 9.700 9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.155 11.929 10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.716 11.487 11.026 1.00 0.00 H new ATOM 1011 N ALA A 93 -15.014 13.376 8.401 1.00 0.00 N ATOM 1012 CA ALA A 93 -14.368 14.412 7.604 1.00 0.00 C ATOM 1013 C ALA A 93 -14.455 15.773 8.290 1.00 0.00 C ATOM 1014 O ALA A 93 -14.575 16.805 7.629 1.00 0.00 O ATOM 1015 CB ALA A 93 -14.992 14.478 6.218 1.00 0.00 C ATOM 0 H ALA A 93 -16.018 13.288 8.243 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.314 14.152 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.500 15.256 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.870 13.517 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.054 14.708 6.308 1.00 0.00 H new ATOM 1021 N SER A 94 -14.395 15.768 9.618 1.00 0.00 N ATOM 1022 CA SER A 94 -14.468 17.002 10.393 1.00 0.00 C ATOM 1023 C SER A 94 -13.068 17.456 10.820 1.00 0.00 C ATOM 1024 O SER A 94 -12.252 17.816 9.973 1.00 0.00 O ATOM 1025 CB SER A 94 -15.380 16.810 11.608 1.00 0.00 C ATOM 1026 OG SER A 94 -15.030 15.643 12.330 1.00 0.00 O ATOM 0 H SER A 94 -14.296 14.923 10.180 1.00 0.00 H new ATOM 0 HA SER A 94 -14.895 17.785 9.766 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.309 17.680 12.261 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.417 16.741 11.280 1.00 0.00 H new ATOM 0 HG SER A 94 -15.626 15.545 13.102 1.00 0.00 H new ATOM 1032 N GLY A 95 -12.790 17.448 12.127 1.00 0.00 N ATOM 1033 CA GLY A 95 -11.487 17.868 12.610 1.00 0.00 C ATOM 1034 C GLY A 95 -10.361 17.009 12.067 1.00 0.00 C ATOM 1035 O GLY A 95 -9.842 16.138 12.765 1.00 0.00 O ATOM 0 H GLY A 95 -13.444 17.159 12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.316 18.907 12.327 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.477 17.828 13.699 1.00 0.00 H new ATOM 1039 N ILE A 96 -9.988 17.254 10.817 1.00 0.00 N ATOM 1040 CA ILE A 96 -8.920 16.500 10.170 1.00 0.00 C ATOM 1041 C ILE A 96 -7.703 17.381 9.911 1.00 0.00 C ATOM 1042 O ILE A 96 -7.666 18.541 10.322 1.00 0.00 O ATOM 1043 CB ILE A 96 -9.394 15.897 8.834 1.00 0.00 C ATOM 1044 CG1 ILE A 96 -9.915 16.999 7.909 1.00 0.00 C ATOM 1045 CG2 ILE A 96 -10.469 14.849 9.077 1.00 0.00 C ATOM 1046 CD1 ILE A 96 -10.234 16.513 6.512 1.00 0.00 C ATOM 0 H ILE A 96 -10.411 17.972 10.229 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.643 15.694 10.850 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.546 15.413 8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.812 17.436 8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -9.171 17.793 7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.793 14.433 8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.066 14.053 9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -11.319 15.310 9.580 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -10.598 17.346 5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.334 16.102 6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -11.001 15.740 6.562 1.00 0.00 H new ATOM 1058 N ASN A 97 -6.710 16.823 9.221 1.00 0.00 N ATOM 1059 CA ASN A 97 -5.488 17.555 8.898 1.00 0.00 C ATOM 1060 C ASN A 97 -5.811 18.945 8.354 1.00 0.00 C ATOM 1061 O ASN A 97 -6.963 19.240 8.034 1.00 0.00 O ATOM 1062 CB ASN A 97 -4.666 16.776 7.870 1.00 0.00 C ATOM 1063 CG ASN A 97 -5.466 16.442 6.626 1.00 0.00 C ATOM 1064 OD1 ASN A 97 -5.679 17.438 5.774 1.00 0.00 O flip ATOM 1065 ND2 ASN A 97 -5.887 15.302 6.433 1.00 0.00 N flip ATOM 0 H ASN A 97 -6.729 15.864 8.874 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.908 17.669 9.814 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.790 17.361 7.590 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.301 15.854 8.323 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.700 14.567 7.115 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.423 15.092 5.591 1.00 0.00 H new ATOM 1072 N PRO A 98 -4.799 19.822 8.245 1.00 0.00 N ATOM 1073 CA PRO A 98 -4.982 21.187 7.741 1.00 0.00 C ATOM 1074 C PRO A 98 -5.333 21.220 6.253 1.00 0.00 C ATOM 1075 O PRO A 98 -4.651 21.868 5.459 1.00 0.00 O ATOM 1076 CB PRO A 98 -3.618 21.856 7.982 1.00 0.00 C ATOM 1077 CG PRO A 98 -2.876 20.937 8.896 1.00 0.00 C ATOM 1078 CD PRO A 98 -3.401 19.561 8.611 1.00 0.00 C ATOM 0 HA PRO A 98 -5.810 21.689 8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -3.079 21.996 7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.739 22.842 8.431 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.802 20.990 8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.038 21.209 9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -2.853 19.078 7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -3.325 18.909 9.481 1.00 0.00 H new ATOM 1086 N GLY A 99 -6.404 20.523 5.881 1.00 0.00 N ATOM 1087 CA GLY A 99 -6.824 20.496 4.492 1.00 0.00 C ATOM 1088 C GLY A 99 -5.875 19.709 3.609 1.00 0.00 C ATOM 1089 O GLY A 99 -4.676 19.985 3.572 1.00 0.00 O ATOM 0 H GLY A 99 -6.987 19.978 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.821 20.060 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.898 21.518 4.119 1.00 0.00 H new ATOM 1093 N MET A 100 -6.415 18.728 2.893 1.00 0.00 N ATOM 1094 CA MET A 100 -5.612 17.898 2.002 1.00 0.00 C ATOM 1095 C MET A 100 -6.301 17.729 0.652 1.00 0.00 C ATOM 1096 O MET A 100 -7.489 18.020 0.509 1.00 0.00 O ATOM 1097 CB MET A 100 -5.365 16.526 2.632 1.00 0.00 C ATOM 1098 CG MET A 100 -6.637 15.722 2.852 1.00 0.00 C ATOM 1099 SD MET A 100 -6.499 14.023 2.268 1.00 0.00 S ATOM 1100 CE MET A 100 -7.747 14.010 0.983 1.00 0.00 C ATOM 0 H MET A 100 -7.406 18.488 2.912 1.00 0.00 H new ATOM 0 HA MET A 100 -4.656 18.397 1.846 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.691 15.957 1.992 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.859 16.660 3.588 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.879 15.718 3.915 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.464 16.212 2.339 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.597 13.409 1.307 1.00 0.00 H new ATOM 0 HE2 MET A 100 -8.078 15.030 0.786 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.327 13.583 0.072 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.549 17.253 -0.335 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.091 17.040 -1.671 1.00 0.00 C ATOM 1112 C LEU A 101 -6.679 15.637 -1.793 1.00 0.00 C ATOM 1113 O LEU A 101 -6.196 14.697 -1.162 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.005 17.254 -2.727 1.00 0.00 C ATOM 1115 CG LEU A 101 -4.026 18.390 -2.422 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.799 18.298 -3.316 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.708 19.740 -2.589 1.00 0.00 C ATOM 0 H LEU A 101 -4.564 17.008 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.888 17.765 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.441 16.328 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.484 17.454 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.701 18.293 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.116 19.115 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.296 17.346 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.104 18.367 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.997 20.536 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.063 19.844 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.553 19.808 -1.904 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.740 15.476 -2.602 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.399 14.179 -2.793 1.00 0.00 C ATOM 1131 C PRO A 102 -7.539 13.189 -3.569 1.00 0.00 C ATOM 1132 O PRO A 102 -7.506 12.000 -3.250 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.652 14.534 -3.595 1.00 0.00 C ATOM 1134 CG PRO A 102 -9.293 15.787 -4.315 1.00 0.00 C ATOM 1135 CD PRO A 102 -8.385 16.545 -3.388 1.00 0.00 C ATOM 0 HA PRO A 102 -8.604 13.688 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.916 13.738 -4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.512 14.684 -2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.793 15.567 -5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.183 16.370 -4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.654 17.139 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.942 17.233 -2.752 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.854 13.680 -4.595 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.007 12.827 -5.418 1.00 0.00 C ATOM 1145 C HIS A 103 -4.665 12.537 -4.741 1.00 0.00 C ATOM 1146 O HIS A 103 -3.893 11.703 -5.213 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.789 13.461 -6.796 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.783 14.572 -6.809 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.890 14.947 -7.755 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -4.617 15.451 -5.759 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -3.209 16.034 -7.265 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -3.667 16.319 -6.061 1.00 0.00 N flip ATOM 0 H HIS A 103 -6.869 14.661 -4.876 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.522 11.875 -5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.468 12.687 -7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.742 13.844 -7.162 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -3.749 14.504 -8.663 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.176 15.433 -4.835 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.426 16.569 -7.781 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.390 13.221 -3.632 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.142 13.015 -2.906 1.00 0.00 C ATOM 1163 C GLU A 104 -3.054 11.585 -2.385 1.00 0.00 C ATOM 1164 O GLU A 104 -1.978 10.988 -2.351 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.031 13.996 -1.737 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.308 15.285 -2.092 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.889 15.322 -1.559 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.150 14.337 -1.768 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.516 16.337 -0.933 1.00 0.00 O ATOM 0 H GLU A 104 -5.011 13.918 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.318 13.192 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.032 14.237 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.507 13.510 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.288 15.400 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.865 16.132 -1.692 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.196 11.046 -1.975 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.258 9.689 -1.449 1.00 0.00 C ATOM 1178 C ASN A 105 -4.246 8.658 -2.574 1.00 0.00 C ATOM 1179 O ASN A 105 -3.476 7.699 -2.540 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.511 9.509 -0.589 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.762 10.030 -1.269 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.254 9.437 -2.229 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.284 11.146 -0.772 1.00 0.00 N ATOM 0 H ASN A 105 -5.094 11.530 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.374 9.530 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.640 8.452 -0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.374 10.028 0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.126 11.544 -1.188 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.843 11.604 0.025 1.00 0.00 H new ATOM 1190 N VAL A 106 -5.107 8.857 -3.567 1.00 0.00 N ATOM 1191 CA VAL A 106 -5.196 7.936 -4.695 1.00 0.00 C ATOM 1192 C VAL A 106 -3.863 7.826 -5.434 1.00 0.00 C ATOM 1193 O VAL A 106 -3.410 6.727 -5.752 1.00 0.00 O ATOM 1194 CB VAL A 106 -6.303 8.357 -5.685 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.609 8.605 -4.948 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.893 9.591 -6.475 1.00 0.00 C ATOM 0 H VAL A 106 -5.752 9.646 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.450 6.960 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.451 7.540 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.379 8.901 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.918 7.692 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.468 9.400 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.692 9.864 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.707 10.417 -5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.985 9.377 -7.039 1.00 0.00 H new ATOM 1206 N ASP A 107 -3.240 8.970 -5.704 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.961 8.992 -6.404 1.00 0.00 C ATOM 1208 C ASP A 107 -0.899 8.253 -5.600 1.00 0.00 C ATOM 1209 O ASP A 107 -0.286 7.300 -6.084 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.517 10.434 -6.656 1.00 0.00 C ATOM 1211 CG ASP A 107 -2.429 11.160 -7.626 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -3.003 10.494 -8.513 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -2.568 12.395 -7.499 1.00 0.00 O ATOM 0 H ASP A 107 -3.599 9.890 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.086 8.489 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.494 10.975 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.500 10.435 -7.048 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.692 8.694 -4.365 1.00 0.00 N ATOM 1219 CA ASP A 108 0.289 8.072 -3.488 1.00 0.00 C ATOM 1220 C ASP A 108 -0.043 6.599 -3.260 1.00 0.00 C ATOM 1221 O ASP A 108 0.823 5.811 -2.879 1.00 0.00 O ATOM 1222 CB ASP A 108 0.347 8.809 -2.149 1.00 0.00 C ATOM 1223 CG ASP A 108 0.818 10.242 -2.299 1.00 0.00 C ATOM 1224 OD1 ASP A 108 1.624 10.509 -3.215 1.00 0.00 O ATOM 1225 OD2 ASP A 108 0.381 11.097 -1.500 1.00 0.00 O ATOM 0 H ASP A 108 -1.191 9.480 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 108 1.264 8.135 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.641 8.800 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.017 8.278 -1.473 1.00 0.00 H new ATOM 1230 N MET A 109 -1.301 6.231 -3.498 1.00 0.00 N ATOM 1231 CA MET A 109 -1.735 4.852 -3.319 1.00 0.00 C ATOM 1232 C MET A 109 -1.062 3.941 -4.338 1.00 0.00 C ATOM 1233 O MET A 109 -0.424 2.952 -3.977 1.00 0.00 O ATOM 1234 CB MET A 109 -3.255 4.753 -3.451 1.00 0.00 C ATOM 1235 CG MET A 109 -3.929 4.149 -2.232 1.00 0.00 C ATOM 1236 SD MET A 109 -4.450 5.395 -1.041 1.00 0.00 S ATOM 1237 CE MET A 109 -6.183 4.983 -0.879 1.00 0.00 C ATOM 0 H MET A 109 -2.033 6.868 -3.814 1.00 0.00 H new ATOM 0 HA MET A 109 -1.445 4.529 -2.319 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.662 5.749 -3.626 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.498 4.151 -4.327 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.796 3.571 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.242 3.454 -1.749 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.790 5.832 -1.193 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.412 4.122 -1.506 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.404 4.744 0.161 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.203 4.287 -5.613 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.602 3.505 -6.686 1.00 0.00 C ATOM 1249 C ARG A 110 0.900 3.362 -6.466 1.00 0.00 C ATOM 1250 O ARG A 110 1.515 2.394 -6.912 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.871 4.161 -8.043 1.00 0.00 C ATOM 1252 CG ARG A 110 -2.284 4.705 -8.188 1.00 0.00 C ATOM 1253 CD ARG A 110 -2.870 4.387 -9.554 1.00 0.00 C ATOM 1254 NE ARG A 110 -4.331 4.396 -9.538 1.00 0.00 N ATOM 1255 CZ ARG A 110 -5.064 5.501 -9.418 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -4.477 6.686 -9.306 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -6.387 5.420 -9.410 1.00 0.00 N ATOM 0 H ARG A 110 -1.728 5.103 -5.928 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.054 2.513 -6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.161 4.974 -8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.689 3.431 -8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.919 4.280 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.276 5.785 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.511 5.115 -10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.517 3.409 -9.881 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.818 3.504 -9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.459 6.754 -9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.044 7.529 -9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.843 4.512 -9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.949 6.266 -9.318 1.00 0.00 H new ATOM 1271 N SER A 111 1.482 4.331 -5.766 1.00 0.00 N ATOM 1272 CA SER A 111 2.910 4.310 -5.477 1.00 0.00 C ATOM 1273 C SER A 111 3.254 3.135 -4.568 1.00 0.00 C ATOM 1274 O SER A 111 4.293 2.494 -4.729 1.00 0.00 O ATOM 1275 CB SER A 111 3.340 5.624 -4.821 1.00 0.00 C ATOM 1276 OG SER A 111 4.727 5.852 -4.995 1.00 0.00 O ATOM 0 H SER A 111 0.987 5.139 -5.389 1.00 0.00 H new ATOM 0 HA SER A 111 3.449 4.193 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.776 6.451 -5.252 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.104 5.597 -3.757 1.00 0.00 H new ATOM 0 HG SER A 111 4.975 6.698 -4.568 1.00 0.00 H new ATOM 1282 N ALA A 112 2.372 2.856 -3.613 1.00 0.00 N ATOM 1283 CA ALA A 112 2.579 1.754 -2.682 1.00 0.00 C ATOM 1284 C ALA A 112 2.632 0.422 -3.420 1.00 0.00 C ATOM 1285 O ALA A 112 3.505 -0.406 -3.164 1.00 0.00 O ATOM 1286 CB ALA A 112 1.481 1.734 -1.630 1.00 0.00 C ATOM 0 H ALA A 112 1.508 3.378 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 112 3.537 1.905 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.651 0.905 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.491 2.673 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.513 1.610 -2.116 1.00 0.00 H new ATOM 1292 N ILE A 113 1.693 0.222 -4.340 1.00 0.00 N ATOM 1293 CA ILE A 113 1.640 -1.011 -5.115 1.00 0.00 C ATOM 1294 C ILE A 113 2.906 -1.180 -5.952 1.00 0.00 C ATOM 1295 O ILE A 113 3.313 -2.299 -6.258 1.00 0.00 O ATOM 1296 CB ILE A 113 0.388 -1.057 -6.026 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.186 -2.475 -6.062 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.708 -0.576 -7.437 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.268 -2.715 -5.032 1.00 0.00 C ATOM 0 H ILE A 113 0.961 0.896 -4.566 1.00 0.00 H new ATOM 0 HA ILE A 113 1.573 -1.837 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.358 -0.382 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.591 -2.669 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.622 -3.189 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.192 -0.621 -8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.069 0.452 -7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.476 -1.214 -7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.629 -3.740 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.862 -2.553 -4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.094 -2.025 -5.204 1.00 0.00 H new ATOM 1311 N THR A 114 3.528 -0.061 -6.313 1.00 0.00 N ATOM 1312 CA THR A 114 4.751 -0.095 -7.105 1.00 0.00 C ATOM 1313 C THR A 114 5.852 -0.823 -6.343 1.00 0.00 C ATOM 1314 O THR A 114 6.651 -1.553 -6.928 1.00 0.00 O ATOM 1315 CB THR A 114 5.203 1.324 -7.454 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.187 2.015 -8.158 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.456 1.360 -8.302 1.00 0.00 C ATOM 0 H THR A 114 3.206 0.876 -6.070 1.00 0.00 H new ATOM 0 HA THR A 114 4.548 -0.633 -8.031 1.00 0.00 H new ATOM 0 HB THR A 114 5.416 1.803 -6.499 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.408 2.134 -7.575 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.722 2.396 -8.514 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.273 0.878 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.277 0.833 -9.239 1.00 0.00 H new ATOM 1325 N ASP A 115 5.878 -0.623 -5.029 1.00 0.00 N ATOM 1326 CA ASP A 115 6.870 -1.265 -4.177 1.00 0.00 C ATOM 1327 C ASP A 115 6.412 -2.668 -3.791 1.00 0.00 C ATOM 1328 O ASP A 115 7.200 -3.614 -3.800 1.00 0.00 O ATOM 1329 CB ASP A 115 7.114 -0.429 -2.919 1.00 0.00 C ATOM 1330 CG ASP A 115 8.573 -0.418 -2.507 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.202 -1.497 -2.521 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.087 0.670 -2.171 1.00 0.00 O ATOM 0 H ASP A 115 5.222 -0.021 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 115 7.804 -1.342 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.781 0.594 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.511 -0.824 -2.101 1.00 0.00 H new ATOM 1337 N TRP A 116 5.131 -2.794 -3.457 1.00 0.00 N ATOM 1338 CA TRP A 116 4.564 -4.083 -3.076 1.00 0.00 C ATOM 1339 C TRP A 116 4.567 -5.042 -4.261 1.00 0.00 C ATOM 1340 O TRP A 116 5.037 -6.175 -4.156 1.00 0.00 O ATOM 1341 CB TRP A 116 3.137 -3.903 -2.554 1.00 0.00 C ATOM 1342 CG TRP A 116 3.078 -3.501 -1.112 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.951 -2.234 -0.619 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.145 -4.370 0.025 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.933 -2.263 0.755 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.051 -3.562 1.174 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.274 -5.753 0.183 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.083 -4.091 2.461 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.306 -6.277 1.462 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.210 -5.447 2.586 1.00 0.00 C ATOM 0 H TRP A 116 4.467 -2.020 -3.443 1.00 0.00 H new ATOM 0 HA TRP A 116 5.180 -4.506 -2.283 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.631 -3.148 -3.155 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.589 -4.836 -2.686 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.876 -1.340 -1.221 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.846 -1.449 1.364 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.347 -6.400 -0.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.010 -3.454 3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.407 -7.344 1.597 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.237 -5.887 3.572 1.00 0.00 H new ATOM 1361 N SER A 117 4.047 -4.575 -5.393 1.00 0.00 N ATOM 1362 CA SER A 117 3.995 -5.385 -6.604 1.00 0.00 C ATOM 1363 C SER A 117 5.395 -5.840 -7.002 1.00 0.00 C ATOM 1364 O SER A 117 5.636 -7.027 -7.226 1.00 0.00 O ATOM 1365 CB SER A 117 3.359 -4.592 -7.748 1.00 0.00 C ATOM 1366 OG SER A 117 2.056 -4.154 -7.402 1.00 0.00 O ATOM 0 H SER A 117 3.656 -3.639 -5.496 1.00 0.00 H new ATOM 0 HA SER A 117 3.384 -6.265 -6.402 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.983 -3.732 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.312 -5.213 -8.643 1.00 0.00 H new ATOM 0 HG SER A 117 2.074 -3.193 -7.208 1.00 0.00 H new ATOM 1372 N ASP A 118 6.318 -4.885 -7.078 1.00 0.00 N ATOM 1373 CA ASP A 118 7.698 -5.184 -7.438 1.00 0.00 C ATOM 1374 C ASP A 118 8.286 -6.216 -6.481 1.00 0.00 C ATOM 1375 O ASP A 118 9.138 -7.018 -6.862 1.00 0.00 O ATOM 1376 CB ASP A 118 8.543 -3.909 -7.415 1.00 0.00 C ATOM 1377 CG ASP A 118 9.962 -4.146 -7.893 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.170 -5.082 -8.693 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.865 -3.395 -7.468 1.00 0.00 O ATOM 0 H ASP A 118 6.134 -3.899 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 118 7.708 -5.595 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.072 -3.153 -8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.566 -3.510 -6.401 1.00 0.00 H new ATOM 1384 N MET A 119 7.815 -6.192 -5.238 1.00 0.00 N ATOM 1385 CA MET A 119 8.284 -7.128 -4.226 1.00 0.00 C ATOM 1386 C MET A 119 7.755 -8.528 -4.511 1.00 0.00 C ATOM 1387 O MET A 119 8.432 -9.522 -4.257 1.00 0.00 O ATOM 1388 CB MET A 119 7.841 -6.676 -2.834 1.00 0.00 C ATOM 1389 CG MET A 119 8.524 -7.430 -1.704 1.00 0.00 C ATOM 1390 SD MET A 119 8.110 -6.770 -0.079 1.00 0.00 S ATOM 1391 CE MET A 119 9.744 -6.551 0.622 1.00 0.00 C ATOM 0 H MET A 119 7.109 -5.534 -4.909 1.00 0.00 H new ATOM 0 HA MET A 119 9.373 -7.150 -4.258 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.045 -5.611 -2.725 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.762 -6.804 -2.745 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.238 -8.481 -1.749 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.604 -7.387 -1.845 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.667 -6.003 1.561 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.194 -7.526 0.808 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.367 -5.991 -0.075 1.00 0.00 H new ATOM 1401 N ARG A 120 6.541 -8.600 -5.046 1.00 0.00 N ATOM 1402 CA ARG A 120 5.925 -9.881 -5.372 1.00 0.00 C ATOM 1403 C ARG A 120 6.837 -10.699 -6.282 1.00 0.00 C ATOM 1404 O ARG A 120 6.993 -11.906 -6.102 1.00 0.00 O ATOM 1405 CB ARG A 120 4.567 -9.663 -6.043 1.00 0.00 C ATOM 1406 CG ARG A 120 3.397 -10.206 -5.239 1.00 0.00 C ATOM 1407 CD ARG A 120 2.075 -9.615 -5.705 1.00 0.00 C ATOM 1408 NE ARG A 120 1.148 -10.646 -6.166 1.00 0.00 N ATOM 1409 CZ ARG A 120 1.208 -11.213 -7.369 1.00 0.00 C ATOM 1410 NH1 ARG A 120 2.148 -10.854 -8.234 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.325 -12.143 -7.707 1.00 0.00 N ATOM 0 H ARG A 120 5.964 -7.787 -5.263 1.00 0.00 H new ATOM 0 HA ARG A 120 5.774 -10.435 -4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.420 -8.596 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.575 -10.139 -7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.364 -11.292 -5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.545 -9.981 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 120 1.619 -9.057 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.259 -8.906 -6.512 1.00 0.00 H new ATOM 0 HE ARG A 120 0.412 -10.949 -5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.830 -10.140 -7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.189 -11.292 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.399 -12.423 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.370 -12.578 -8.628 1.00 0.00 H new ATOM 1425 N GLU A 121 7.439 -10.027 -7.259 1.00 0.00 N ATOM 1426 CA GLU A 121 8.339 -10.687 -8.198 1.00 0.00 C ATOM 1427 C GLU A 121 9.736 -10.836 -7.601 1.00 0.00 C ATOM 1428 O GLU A 121 10.403 -11.851 -7.803 1.00 0.00 O ATOM 1429 CB GLU A 121 8.413 -9.896 -9.506 1.00 0.00 C ATOM 1430 CG GLU A 121 7.291 -10.221 -10.478 1.00 0.00 C ATOM 1431 CD GLU A 121 7.314 -9.339 -11.710 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.403 -8.840 -12.064 1.00 0.00 O ATOM 1433 OE2 GLU A 121 6.242 -9.146 -12.322 1.00 0.00 O ATOM 0 H GLU A 121 7.320 -9.027 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 121 7.944 -11.682 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.388 -8.830 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.370 -10.096 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.369 -11.265 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.332 -10.107 -9.972 1.00 0.00 H new ATOM 1440 N ALA A 122 10.172 -9.819 -6.864 1.00 0.00 N ATOM 1441 CA ALA A 122 11.490 -9.837 -6.238 1.00 0.00 C ATOM 1442 C ALA A 122 11.544 -10.850 -5.100 1.00 0.00 C ATOM 1443 O ALA A 122 12.347 -11.783 -5.123 1.00 0.00 O ATOM 1444 CB ALA A 122 11.849 -8.449 -5.729 1.00 0.00 C ATOM 0 H ALA A 122 9.632 -8.972 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 122 12.219 -10.137 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.835 -8.476 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.860 -7.747 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.110 -8.128 -4.995 1.00 0.00 H new ATOM 1450 N LEU A 123 10.685 -10.659 -4.104 1.00 0.00 N ATOM 1451 CA LEU A 123 10.629 -11.554 -2.952 1.00 0.00 C ATOM 1452 C LEU A 123 10.476 -13.007 -3.395 1.00 0.00 C ATOM 1453 O LEU A 123 11.085 -13.909 -2.820 1.00 0.00 O ATOM 1454 CB LEU A 123 9.468 -11.161 -2.033 1.00 0.00 C ATOM 1455 CG LEU A 123 9.783 -11.191 -0.537 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.009 -10.345 -0.233 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.585 -10.708 0.270 1.00 0.00 C ATOM 0 H LEU A 123 10.016 -9.890 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 123 11.566 -11.460 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.139 -10.156 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.630 -11.832 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 123 9.998 -12.221 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.218 -10.378 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.866 -10.735 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.824 -9.314 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.827 -10.736 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.339 -9.686 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.730 -11.356 0.075 1.00 0.00 H new ATOM 1469 N GLN A 124 9.663 -13.224 -4.424 1.00 0.00 N ATOM 1470 CA GLN A 124 9.433 -14.566 -4.946 1.00 0.00 C ATOM 1471 C GLN A 124 10.725 -15.162 -5.496 1.00 0.00 C ATOM 1472 O GLN A 124 11.134 -16.254 -5.103 1.00 0.00 O ATOM 1473 CB GLN A 124 8.365 -14.535 -6.041 1.00 0.00 C ATOM 1474 CG GLN A 124 6.951 -14.723 -5.516 1.00 0.00 C ATOM 1475 CD GLN A 124 5.934 -14.886 -6.628 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.429 -15.982 -6.868 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.628 -13.791 -7.315 1.00 0.00 N ATOM 0 H GLN A 124 9.153 -12.488 -4.912 1.00 0.00 H new ATOM 0 HA GLN A 124 9.083 -15.193 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.424 -13.583 -6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.580 -15.317 -6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.921 -15.600 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.678 -13.865 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.071 -12.902 -7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.950 -13.839 -8.075 1.00 0.00 H new ATOM 1486 N HIS A 125 11.364 -14.435 -6.408 1.00 0.00 N ATOM 1487 CA HIS A 125 12.611 -14.890 -7.012 1.00 0.00 C ATOM 1488 C HIS A 125 13.698 -15.055 -5.955 1.00 0.00 C ATOM 1489 O HIS A 125 14.498 -15.989 -6.013 1.00 0.00 O ATOM 1490 CB HIS A 125 13.073 -13.903 -8.085 1.00 0.00 C ATOM 1491 CG HIS A 125 12.180 -13.864 -9.286 1.00 0.00 C ATOM 1492 ND1 HIS A 125 11.741 -12.689 -9.861 1.00 0.00 N ATOM 1493 CD2 HIS A 125 11.642 -14.865 -10.024 1.00 0.00 C ATOM 1494 CE1 HIS A 125 10.973 -12.969 -10.898 1.00 0.00 C ATOM 1495 NE2 HIS A 125 10.897 -14.281 -11.019 1.00 0.00 N ATOM 0 H HIS A 125 11.039 -13.529 -6.744 1.00 0.00 H new ATOM 0 HA HIS A 125 12.429 -15.860 -7.475 1.00 0.00 H new ATOM 0 HB2 HIS A 125 13.127 -12.905 -7.650 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.082 -14.168 -8.401 1.00 0.00 H new ATOM 0 HD1 HIS A 125 11.973 -11.751 -9.536 1.00 0.00 H new ATOM 0 HD2 HIS A 125 11.774 -15.924 -9.860 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.489 -12.247 -11.539 1.00 0.00 H new ATOM 1504 N ALA A 126 13.720 -14.142 -4.989 1.00 0.00 N ATOM 1505 CA ALA A 126 14.709 -14.186 -3.919 1.00 0.00 C ATOM 1506 C ALA A 126 14.448 -15.361 -2.982 1.00 0.00 C ATOM 1507 O ALA A 126 15.379 -15.932 -2.414 1.00 0.00 O ATOM 1508 CB ALA A 126 14.705 -12.878 -3.143 1.00 0.00 C ATOM 0 H ALA A 126 13.064 -13.363 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 126 15.692 -14.324 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.448 -12.925 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.945 -12.055 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.718 -12.715 -2.709 1.00 0.00 H new ATOM 1514 N MET A 127 13.177 -15.717 -2.826 1.00 0.00 N ATOM 1515 CA MET A 127 12.793 -16.825 -1.959 1.00 0.00 C ATOM 1516 C MET A 127 13.457 -18.123 -2.410 1.00 0.00 C ATOM 1517 O MET A 127 13.872 -18.938 -1.586 1.00 0.00 O ATOM 1518 CB MET A 127 11.273 -16.993 -1.954 1.00 0.00 C ATOM 1519 CG MET A 127 10.710 -17.391 -0.600 1.00 0.00 C ATOM 1520 SD MET A 127 9.072 -18.136 -0.720 1.00 0.00 S ATOM 1521 CE MET A 127 8.084 -16.710 -1.165 1.00 0.00 C ATOM 0 H MET A 127 12.395 -15.254 -3.289 1.00 0.00 H new ATOM 0 HA MET A 127 13.130 -16.596 -0.948 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.811 -16.057 -2.269 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.997 -17.749 -2.689 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.391 -18.095 -0.121 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.658 -16.511 0.041 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.068 -16.840 -0.791 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.521 -15.813 -0.725 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.061 -16.608 -2.250 1.00 0.00 H new ATOM 1531 N GLY A 128 13.555 -18.306 -3.722 1.00 0.00 N ATOM 1532 CA GLY A 128 14.170 -19.506 -4.259 1.00 0.00 C ATOM 1533 C GLY A 128 13.509 -19.973 -5.542 1.00 0.00 C ATOM 1534 O GLY A 128 13.255 -21.165 -5.718 1.00 0.00 O ATOM 0 H GLY A 128 13.220 -17.645 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.227 -19.316 -4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 128 14.116 -20.302 -3.516 1.00 0.00 H new ATOM 1538 N ILE A 129 13.230 -19.033 -6.438 1.00 0.00 N ATOM 1539 CA ILE A 129 12.595 -19.355 -7.710 1.00 0.00 C ATOM 1540 C ILE A 129 13.309 -18.668 -8.869 1.00 0.00 C ATOM 1541 O ILE A 129 13.982 -17.654 -8.683 1.00 0.00 O ATOM 1542 CB ILE A 129 11.111 -18.942 -7.720 1.00 0.00 C ATOM 1543 CG1 ILE A 129 10.408 -19.450 -6.459 1.00 0.00 C ATOM 1544 CG2 ILE A 129 10.421 -19.472 -8.968 1.00 0.00 C ATOM 1545 CD1 ILE A 129 9.091 -18.758 -6.181 1.00 0.00 C ATOM 0 H ILE A 129 13.434 -18.042 -6.307 1.00 0.00 H new ATOM 0 HA ILE A 129 12.663 -20.436 -7.832 1.00 0.00 H new ATOM 0 HB ILE A 129 11.053 -17.854 -7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 129 10.233 -20.521 -6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 129 11.069 -19.312 -5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.373 -19.172 -8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.908 -19.065 -9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.486 -20.560 -8.986 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.649 -19.168 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.262 -17.689 -6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.412 -18.917 -7.019 1.00 0.00 H new ATOM 1557 N HIS A 130 13.158 -19.226 -10.066 1.00 0.00 N ATOM 1558 CA HIS A 130 13.788 -18.666 -11.255 1.00 0.00 C ATOM 1559 C HIS A 130 12.801 -18.602 -12.415 1.00 0.00 C ATOM 1560 O HIS A 130 12.206 -19.612 -12.794 1.00 0.00 O ATOM 1561 CB HIS A 130 15.007 -19.500 -11.652 1.00 0.00 C ATOM 1562 CG HIS A 130 16.108 -19.472 -10.637 1.00 0.00 C ATOM 1563 ND1 HIS A 130 16.507 -20.585 -9.928 1.00 0.00 N ATOM 1564 CD2 HIS A 130 16.897 -18.456 -10.214 1.00 0.00 C ATOM 1565 CE1 HIS A 130 17.491 -20.255 -9.111 1.00 0.00 C ATOM 1566 NE2 HIS A 130 17.747 -18.969 -9.266 1.00 0.00 N ATOM 0 H HIS A 130 12.605 -20.066 -10.238 1.00 0.00 H new ATOM 0 HA HIS A 130 14.111 -17.652 -11.021 1.00 0.00 H new ATOM 0 HB2 HIS A 130 14.695 -20.533 -11.809 1.00 0.00 H new ATOM 0 HB3 HIS A 130 15.392 -19.135 -12.604 1.00 0.00 H new ATOM 0 HD2 HIS A 130 16.864 -17.433 -10.558 1.00 0.00 H new ATOM 0 HE1 HIS A 130 18.000 -20.923 -8.432 1.00 0.00 H new ATOM 0 HE2 HIS A 130 18.461 -18.442 -8.763 1.00 0.00 H new ATOM 1575 N ALA A 131 12.631 -17.409 -12.976 1.00 0.00 N ATOM 1576 CA ALA A 131 11.715 -17.214 -14.093 1.00 0.00 C ATOM 1577 C ALA A 131 12.369 -16.399 -15.203 1.00 0.00 C ATOM 1578 O ALA A 131 13.271 -15.601 -14.952 1.00 0.00 O ATOM 1579 CB ALA A 131 10.441 -16.532 -13.616 1.00 0.00 C ATOM 0 H ALA A 131 13.116 -16.563 -12.675 1.00 0.00 H new ATOM 0 HA ALA A 131 11.461 -18.193 -14.499 1.00 0.00 H new ATOM 0 HB1 ALA A 131 9.765 -16.392 -14.460 1.00 0.00 H new ATOM 0 HB2 ALA A 131 9.956 -17.152 -12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 131 10.687 -15.562 -13.184 1.00 0.00 H new ATOM 1585 N ASP A 132 11.907 -16.606 -16.432 1.00 0.00 N ATOM 1586 CA ASP A 132 12.447 -15.890 -17.582 1.00 0.00 C ATOM 1587 C ASP A 132 11.337 -15.507 -18.555 1.00 0.00 C ATOM 1588 O ASP A 132 11.106 -16.193 -19.551 1.00 0.00 O ATOM 1589 CB ASP A 132 13.494 -16.747 -18.297 1.00 0.00 C ATOM 1590 CG ASP A 132 14.420 -15.920 -19.168 1.00 0.00 C ATOM 1591 OD1 ASP A 132 15.302 -15.233 -18.612 1.00 0.00 O ATOM 1592 OD2 ASP A 132 14.264 -15.961 -20.407 1.00 0.00 O ATOM 0 H ASP A 132 11.160 -17.263 -16.657 1.00 0.00 H new ATOM 0 HA ASP A 132 12.920 -14.977 -17.220 1.00 0.00 H new ATOM 0 HB2 ASP A 132 14.083 -17.289 -17.557 1.00 0.00 H new ATOM 0 HB3 ASP A 132 12.991 -17.493 -18.912 1.00 0.00 H new ATOM 1597 N ILE A 133 10.652 -14.407 -18.259 1.00 0.00 N ATOM 1598 CA ILE A 133 9.565 -13.933 -19.107 1.00 0.00 C ATOM 1599 C ILE A 133 9.739 -12.457 -19.450 1.00 0.00 C ATOM 1600 O ILE A 133 9.777 -11.633 -18.512 1.00 0.00 O ATOM 1601 CB ILE A 133 8.196 -14.132 -18.430 1.00 0.00 C ATOM 1602 CG1 ILE A 133 8.074 -15.558 -17.887 1.00 0.00 C ATOM 1603 CG2 ILE A 133 7.072 -13.833 -19.410 1.00 0.00 C ATOM 1604 CD1 ILE A 133 8.372 -15.669 -16.408 1.00 0.00 C ATOM 0 H ILE A 133 10.831 -13.828 -17.439 1.00 0.00 H new ATOM 0 HA ILE A 133 9.599 -14.523 -20.023 1.00 0.00 H new ATOM 0 HB ILE A 133 8.116 -13.437 -17.594 1.00 0.00 H new ATOM 0 HG12 ILE A 133 7.065 -15.924 -18.075 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.756 -16.207 -18.436 1.00 0.00 H new ATOM 0 HG21 ILE A 133 6.111 -13.978 -18.917 1.00 0.00 H new ATOM 0 HG22 ILE A 133 7.152 -12.801 -19.752 1.00 0.00 H new ATOM 0 HG23 ILE A 133 7.146 -14.505 -20.265 1.00 0.00 H new ATOM 0 HD11 ILE A 133 8.266 -16.707 -16.092 1.00 0.00 H new ATOM 0 HD12 ILE A 133 9.391 -15.333 -16.216 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.674 -15.047 -15.848 1.00 0.00 H new TER 1616 ILE A 133