USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=33 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 155:sc= -6.16! (180deg=-6.58!) USER MOD Set 1.2: A 105 ASN : amide:sc= -6.96! C(o=-17!,f=-27!) USER MOD Set 1.3: A 109 MET CE :methyl -103:sc= -4.27 (180deg=-6.08!) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -3.94 K(o=-4,f=-4.7!) USER MOD Set 2.2: A 58 SER OG : rot -140:sc= -0.0293 USER MOD Set 3.1: A 30 ASN :FLIP amide:sc= -1.58 F(o=-5.5!,f=-2.7) USER MOD Set 3.2: A 103 HIS :FLIP no HE2:sc= -1.08 F(o=-4.3!,f=-2.7) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.12 F(o=-1.1,f=-0.12) USER MOD Single : A 38 SER OG : rot 56:sc= 1.13 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.117 F(o=-0.54,f=0.12) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 170:sc= 0.202 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.571 F(o=-2.3,f=-0.57) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.58 K(o=-4.6,f=-15!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.631 USER MOD Single : A 70 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.2!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -2.45 X(o=-2.4,f=-2.9) USER MOD Single : A 76 THR OG1 : rot 77:sc= -1.51! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 79 THR OG1 : rot -86:sc= -2.11 USER MOD Single : A 82 MET CE :methyl -138:sc= -0.377 (180deg=-1.28) USER MOD Single : A 85 MET CE :methyl -178:sc= -0.618 (180deg=-0.635) USER MOD Single : A 86 GLN : amide:sc= -0.112 K(o=-0.11,f=-2!) USER MOD Single : A 87 HIS : no HE2:sc= -3.38! C(o=-3.4!,f=-4.4!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 96:sc= 1.09 USER MOD Single : A 97 ASN :FLIP amide:sc= -2.13 F(o=-3.8,f=-2.1) USER MOD Single : A 111 SER OG : rot 86:sc= 0.0424 USER MOD Single : A 114 THR OG1 : rot 66:sc= 0.255 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 162:sc= -0.534 (180deg=-1.42) USER MOD Single : A 124 GLN : amide:sc= 0.278 K(o=0.28,f=-0.95) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 127 MET CE :methyl -159:sc= -0.188 (180deg=-0.481) USER MOD Single : A 130 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 29 -9.610 17.516 -12.453 1.00 0.00 N ATOM 2 CA ASP A 29 -10.225 17.493 -11.100 1.00 0.00 C ATOM 3 C ASP A 29 -9.810 16.243 -10.329 1.00 0.00 C ATOM 4 O ASP A 29 -8.906 15.518 -10.743 1.00 0.00 O ATOM 5 CB ASP A 29 -11.746 17.541 -11.256 1.00 0.00 C ATOM 6 CG ASP A 29 -12.333 18.859 -10.791 1.00 0.00 C ATOM 7 OD1 ASP A 29 -12.276 19.840 -11.562 1.00 0.00 O ATOM 8 OD2 ASP A 29 -12.850 18.911 -9.655 1.00 0.00 O ATOM 0 HA ASP A 29 -9.880 18.357 -10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.007 17.379 -12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.193 16.726 -10.686 1.00 0.00 H new ATOM 13 N ASN A 30 -10.477 15.999 -9.205 1.00 0.00 N ATOM 14 CA ASN A 30 -10.176 14.838 -8.376 1.00 0.00 C ATOM 15 C ASN A 30 -11.028 13.640 -8.780 1.00 0.00 C ATOM 16 O ASN A 30 -11.760 13.688 -9.769 1.00 0.00 O ATOM 17 CB ASN A 30 -10.407 15.164 -6.899 1.00 0.00 C ATOM 18 CG ASN A 30 -9.399 16.159 -6.362 1.00 0.00 C ATOM 19 OD1 ASN A 30 -8.264 15.652 -5.895 1.00 0.00 O flip ATOM 20 ND2 ASN A 30 -9.635 17.367 -6.367 1.00 0.00 N flip ATOM 0 H ASN A 30 -11.228 16.589 -8.848 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.127 14.582 -8.527 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.412 15.565 -6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.354 14.246 -6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.521 17.712 -6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.944 18.023 -6.002 1.00 0.00 H new ATOM 27 N VAL A 31 -10.927 12.567 -8.003 1.00 0.00 N ATOM 28 CA VAL A 31 -11.686 11.351 -8.269 1.00 0.00 C ATOM 29 C VAL A 31 -12.934 11.281 -7.392 1.00 0.00 C ATOM 30 O VAL A 31 -13.023 11.960 -6.369 1.00 0.00 O ATOM 31 CB VAL A 31 -10.833 10.086 -8.037 1.00 0.00 C ATOM 32 CG1 VAL A 31 -10.031 9.748 -9.284 1.00 0.00 C ATOM 33 CG2 VAL A 31 -9.912 10.264 -6.836 1.00 0.00 C ATOM 0 H VAL A 31 -10.325 12.515 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.982 11.387 -9.317 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.506 9.255 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.435 8.853 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.711 9.568 -10.116 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.371 10.580 -9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.321 9.359 -6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.245 11.109 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.510 10.452 -5.944 1.00 0.00 H new ATOM 43 N THR A 32 -13.896 10.461 -7.803 1.00 0.00 N ATOM 44 CA THR A 32 -15.142 10.308 -7.058 1.00 0.00 C ATOM 45 C THR A 32 -14.877 9.829 -5.634 1.00 0.00 C ATOM 46 O THR A 32 -13.810 9.293 -5.337 1.00 0.00 O ATOM 47 CB THR A 32 -16.071 9.322 -7.767 1.00 0.00 C ATOM 48 OG1 THR A 32 -15.655 7.987 -7.539 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.139 9.531 -9.264 1.00 0.00 C ATOM 0 H THR A 32 -13.837 9.892 -8.648 1.00 0.00 H new ATOM 0 HA THR A 32 -15.622 11.285 -7.011 1.00 0.00 H new ATOM 0 HB THR A 32 -17.059 9.506 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.263 7.372 -7.999 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.816 8.798 -9.703 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.506 10.536 -9.475 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.145 9.410 -9.694 1.00 0.00 H new ATOM 57 N SER A 33 -15.860 10.023 -4.760 1.00 0.00 N ATOM 58 CA SER A 33 -15.737 9.608 -3.368 1.00 0.00 C ATOM 59 C SER A 33 -15.533 8.100 -3.271 1.00 0.00 C ATOM 60 O SER A 33 -14.741 7.621 -2.459 1.00 0.00 O ATOM 61 CB SER A 33 -16.981 10.018 -2.578 1.00 0.00 C ATOM 62 OG SER A 33 -17.525 11.228 -3.077 1.00 0.00 O ATOM 0 H SER A 33 -16.750 10.465 -4.992 1.00 0.00 H new ATOM 0 HA SER A 33 -14.866 10.105 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.729 9.228 -2.636 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.724 10.138 -1.525 1.00 0.00 H new ATOM 0 HG SER A 33 -18.320 11.468 -2.557 1.00 0.00 H new ATOM 68 N SER A 34 -16.247 7.356 -4.111 1.00 0.00 N ATOM 69 CA SER A 34 -16.135 5.902 -4.123 1.00 0.00 C ATOM 70 C SER A 34 -14.758 5.481 -4.618 1.00 0.00 C ATOM 71 O SER A 34 -14.218 4.461 -4.192 1.00 0.00 O ATOM 72 CB SER A 34 -17.222 5.291 -5.010 1.00 0.00 C ATOM 73 OG SER A 34 -18.367 4.946 -4.250 1.00 0.00 O ATOM 0 H SER A 34 -16.907 7.735 -4.790 1.00 0.00 H new ATOM 0 HA SER A 34 -16.268 5.537 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.500 6.000 -5.790 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.832 4.404 -5.509 1.00 0.00 H new ATOM 0 HG SER A 34 -19.047 4.559 -4.840 1.00 0.00 H new ATOM 79 N GLN A 35 -14.192 6.280 -5.516 1.00 0.00 N ATOM 80 CA GLN A 35 -12.874 5.996 -6.063 1.00 0.00 C ATOM 81 C GLN A 35 -11.805 6.175 -4.994 1.00 0.00 C ATOM 82 O GLN A 35 -10.867 5.383 -4.899 1.00 0.00 O ATOM 83 CB GLN A 35 -12.587 6.907 -7.254 1.00 0.00 C ATOM 84 CG GLN A 35 -11.195 6.733 -7.840 1.00 0.00 C ATOM 85 CD GLN A 35 -10.961 5.337 -8.385 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.568 4.418 -7.511 1.00 0.00 O flip ATOM 87 NE2 GLN A 35 -11.133 5.088 -9.578 1.00 0.00 N flip ATOM 0 H GLN A 35 -14.626 7.128 -5.879 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.856 4.960 -6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.325 6.715 -8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.713 7.944 -6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.048 7.460 -8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.452 6.948 -7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.436 5.825 -10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.973 4.144 -9.930 1.00 0.00 H new ATOM 96 N LEU A 36 -11.960 7.216 -4.182 1.00 0.00 N ATOM 97 CA LEU A 36 -11.015 7.494 -3.107 1.00 0.00 C ATOM 98 C LEU A 36 -10.831 6.257 -2.237 1.00 0.00 C ATOM 99 O LEU A 36 -9.707 5.839 -1.954 1.00 0.00 O ATOM 100 CB LEU A 36 -11.513 8.661 -2.251 1.00 0.00 C ATOM 101 CG LEU A 36 -11.001 10.040 -2.668 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.482 10.056 -2.707 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.577 10.436 -4.020 1.00 0.00 C ATOM 0 H LEU A 36 -12.731 7.881 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.056 7.764 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.603 8.672 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.223 8.481 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.331 10.769 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.136 11.046 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.090 9.818 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.129 9.316 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.202 11.420 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.277 9.705 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.665 10.467 -3.957 1.00 0.00 H new ATOM 115 N LEU A 37 -11.949 5.672 -1.823 1.00 0.00 N ATOM 116 CA LEU A 37 -11.921 4.480 -0.991 1.00 0.00 C ATOM 117 C LEU A 37 -11.699 3.224 -1.835 1.00 0.00 C ATOM 118 O LEU A 37 -11.327 2.176 -1.311 1.00 0.00 O ATOM 119 CB LEU A 37 -13.219 4.357 -0.186 1.00 0.00 C ATOM 120 CG LEU A 37 -14.441 3.899 -0.982 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.518 2.382 -1.014 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.713 4.489 -0.392 1.00 0.00 C ATOM 0 H LEU A 37 -12.885 6.006 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.086 4.575 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.055 3.655 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.441 5.325 0.264 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.340 4.258 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.394 2.074 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.620 1.982 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.596 2.000 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.573 4.152 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.821 4.161 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.658 5.577 -0.423 1.00 0.00 H new ATOM 134 N SER A 38 -11.922 3.329 -3.145 1.00 0.00 N ATOM 135 CA SER A 38 -11.731 2.186 -4.030 1.00 0.00 C ATOM 136 C SER A 38 -10.251 1.841 -4.152 1.00 0.00 C ATOM 137 O SER A 38 -9.888 0.687 -4.387 1.00 0.00 O ATOM 138 CB SER A 38 -12.309 2.475 -5.415 1.00 0.00 C ATOM 139 OG SER A 38 -13.724 2.389 -5.408 1.00 0.00 O ATOM 0 H SER A 38 -12.231 4.183 -3.610 1.00 0.00 H new ATOM 0 HA SER A 38 -12.257 1.335 -3.598 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.004 3.470 -5.739 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.903 1.766 -6.137 1.00 0.00 H new ATOM 0 HG SER A 38 -14.085 2.996 -4.729 1.00 0.00 H new ATOM 145 N VAL A 39 -9.396 2.847 -3.987 1.00 0.00 N ATOM 146 CA VAL A 39 -7.960 2.641 -4.080 1.00 0.00 C ATOM 147 C VAL A 39 -7.383 2.229 -2.734 1.00 0.00 C ATOM 148 O VAL A 39 -6.508 1.365 -2.660 1.00 0.00 O ATOM 149 CB VAL A 39 -7.236 3.905 -4.575 1.00 0.00 C ATOM 150 CG1 VAL A 39 -5.776 3.597 -4.870 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.930 4.467 -5.806 1.00 0.00 C ATOM 0 H VAL A 39 -9.675 3.808 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.801 1.842 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.274 4.660 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.277 4.501 -5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.289 3.241 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.715 2.828 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.405 5.361 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.923 3.721 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.960 4.723 -5.558 1.00 0.00 H new ATOM 161 N ARG A 40 -7.883 2.844 -1.667 1.00 0.00 N ATOM 162 CA ARG A 40 -7.416 2.525 -0.325 1.00 0.00 C ATOM 163 C ARG A 40 -7.827 1.109 0.061 1.00 0.00 C ATOM 164 O ARG A 40 -7.203 0.479 0.915 1.00 0.00 O ATOM 165 CB ARG A 40 -7.959 3.537 0.687 1.00 0.00 C ATOM 166 CG ARG A 40 -9.446 3.386 0.980 1.00 0.00 C ATOM 167 CD ARG A 40 -9.718 2.385 2.094 1.00 0.00 C ATOM 168 NE ARG A 40 -8.792 2.535 3.215 1.00 0.00 N ATOM 169 CZ ARG A 40 -8.537 1.573 4.100 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.135 0.392 4.001 1.00 0.00 N ATOM 171 NH2 ARG A 40 -7.682 1.794 5.090 1.00 0.00 N ATOM 0 H ARG A 40 -8.607 3.561 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.327 2.581 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.404 3.436 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.774 4.544 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.859 4.356 1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.962 3.067 0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.740 2.511 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.642 1.373 1.696 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.313 3.429 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.795 0.216 3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.935 -0.340 4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.221 2.700 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.486 1.058 5.768 1.00 0.00 H new ATOM 185 N HIS A 41 -8.877 0.612 -0.585 1.00 0.00 N ATOM 186 CA HIS A 41 -9.370 -0.733 -0.325 1.00 0.00 C ATOM 187 C HIS A 41 -8.512 -1.752 -1.064 1.00 0.00 C ATOM 188 O HIS A 41 -8.231 -2.836 -0.553 1.00 0.00 O ATOM 189 CB HIS A 41 -10.831 -0.858 -0.765 1.00 0.00 C ATOM 190 CG HIS A 41 -11.815 -0.662 0.348 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.325 0.468 0.895 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.394 -1.710 1.033 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.193 0.085 1.887 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.218 -1.233 1.949 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.403 1.123 -1.294 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.311 -0.928 0.746 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.030 -0.125 -1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.985 -1.843 -1.205 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.105 1.425 0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.203 -2.757 0.849 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.763 0.754 2.515 1.00 0.00 H new ATOM 203 N GLN A 42 -8.094 -1.386 -2.272 1.00 0.00 N ATOM 204 CA GLN A 42 -7.261 -2.255 -3.093 1.00 0.00 C ATOM 205 C GLN A 42 -5.800 -2.179 -2.652 1.00 0.00 C ATOM 206 O GLN A 42 -5.078 -3.175 -2.677 1.00 0.00 O ATOM 207 CB GLN A 42 -7.386 -1.857 -4.568 1.00 0.00 C ATOM 208 CG GLN A 42 -6.654 -0.573 -4.923 1.00 0.00 C ATOM 209 CD GLN A 42 -6.578 -0.338 -6.419 1.00 0.00 C ATOM 210 OE1 GLN A 42 -5.547 -0.581 -7.046 1.00 0.00 O ATOM 211 NE2 GLN A 42 -7.674 0.136 -6.999 1.00 0.00 N ATOM 0 H GLN A 42 -8.320 -0.490 -2.704 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.604 -3.282 -2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.000 -2.667 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.441 -1.742 -4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.159 0.270 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.645 -0.610 -4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.507 0.323 -6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.684 0.313 -8.003 1.00 0.00 H new ATOM 220 N LEU A 43 -5.375 -0.982 -2.257 1.00 0.00 N ATOM 221 CA LEU A 43 -4.002 -0.757 -1.819 1.00 0.00 C ATOM 222 C LEU A 43 -3.763 -1.344 -0.430 1.00 0.00 C ATOM 223 O LEU A 43 -2.889 -2.191 -0.245 1.00 0.00 O ATOM 224 CB LEU A 43 -3.695 0.747 -1.815 1.00 0.00 C ATOM 225 CG LEU A 43 -2.214 1.135 -1.916 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.575 1.153 -0.540 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.458 0.191 -2.843 1.00 0.00 C ATOM 0 H LEU A 43 -5.965 -0.150 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.334 -1.261 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.228 1.208 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.100 1.177 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.158 2.137 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.525 1.430 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.089 1.879 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.652 0.163 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.412 0.492 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.525 -0.827 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.896 0.232 -3.840 1.00 0.00 H new ATOM 239 N ALA A 44 -4.543 -0.884 0.544 1.00 0.00 N ATOM 240 CA ALA A 44 -4.418 -1.356 1.920 1.00 0.00 C ATOM 241 C ALA A 44 -4.414 -2.880 1.993 1.00 0.00 C ATOM 242 O ALA A 44 -3.560 -3.477 2.650 1.00 0.00 O ATOM 243 CB ALA A 44 -5.545 -0.791 2.771 1.00 0.00 C ATOM 0 H ALA A 44 -5.271 -0.183 0.405 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.463 -1.003 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.442 -1.149 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.498 0.298 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.504 -1.116 2.367 1.00 0.00 H new ATOM 249 N GLU A 45 -5.374 -3.505 1.320 1.00 0.00 N ATOM 250 CA GLU A 45 -5.483 -4.960 1.313 1.00 0.00 C ATOM 251 C GLU A 45 -4.206 -5.605 0.783 1.00 0.00 C ATOM 252 O GLU A 45 -3.650 -6.509 1.408 1.00 0.00 O ATOM 253 CB GLU A 45 -6.678 -5.398 0.465 1.00 0.00 C ATOM 254 CG GLU A 45 -8.020 -5.157 1.135 1.00 0.00 C ATOM 255 CD GLU A 45 -9.185 -5.649 0.299 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.657 -4.886 -0.569 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.625 -6.799 0.513 1.00 0.00 O ATOM 0 H GLU A 45 -6.089 -3.027 0.772 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.632 -5.290 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.654 -4.864 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.581 -6.459 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.034 -5.659 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.140 -4.091 1.327 1.00 0.00 H new ATOM 264 N SER A 46 -3.748 -5.140 -0.375 1.00 0.00 N ATOM 265 CA SER A 46 -2.540 -5.677 -0.991 1.00 0.00 C ATOM 266 C SER A 46 -1.299 -5.323 -0.175 1.00 0.00 C ATOM 267 O SER A 46 -0.305 -6.049 -0.195 1.00 0.00 O ATOM 268 CB SER A 46 -2.395 -5.148 -2.420 1.00 0.00 C ATOM 269 OG SER A 46 -2.179 -6.206 -3.337 1.00 0.00 O ATOM 0 H SER A 46 -4.195 -4.392 -0.906 1.00 0.00 H new ATOM 0 HA SER A 46 -2.631 -6.763 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.293 -4.598 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.563 -4.446 -2.468 1.00 0.00 H new ATOM 0 HG SER A 46 -2.250 -5.865 -4.253 1.00 0.00 H new ATOM 275 N ALA A 47 -1.362 -4.204 0.540 1.00 0.00 N ATOM 276 CA ALA A 47 -0.240 -3.757 1.358 1.00 0.00 C ATOM 277 C ALA A 47 -0.004 -4.696 2.537 1.00 0.00 C ATOM 278 O ALA A 47 -0.305 -4.358 3.682 1.00 0.00 O ATOM 279 CB ALA A 47 -0.480 -2.337 1.851 1.00 0.00 C ATOM 0 H ALA A 47 -2.177 -3.591 0.570 1.00 0.00 H new ATOM 0 HA ALA A 47 0.655 -3.770 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.365 -2.016 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.586 -1.668 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.391 -2.309 2.450 1.00 0.00 H new ATOM 285 N GLY A 48 0.539 -5.876 2.251 1.00 0.00 N ATOM 286 CA GLY A 48 0.807 -6.842 3.302 1.00 0.00 C ATOM 287 C GLY A 48 1.028 -8.244 2.766 1.00 0.00 C ATOM 288 O GLY A 48 0.335 -8.680 1.847 1.00 0.00 O ATOM 0 H GLY A 48 0.798 -6.180 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.688 -6.528 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.029 -6.853 4.002 1.00 0.00 H new ATOM 292 N LEU A 49 1.992 -8.953 3.346 1.00 0.00 N ATOM 293 CA LEU A 49 2.297 -10.316 2.924 1.00 0.00 C ATOM 294 C LEU A 49 1.383 -11.317 3.629 1.00 0.00 C ATOM 295 O LEU A 49 0.999 -11.112 4.780 1.00 0.00 O ATOM 296 CB LEU A 49 3.759 -10.656 3.221 1.00 0.00 C ATOM 297 CG LEU A 49 4.790 -9.699 2.619 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.200 -10.201 2.890 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.561 -9.536 1.124 1.00 0.00 C ATOM 0 H LEU A 49 2.575 -8.607 4.108 1.00 0.00 H new ATOM 0 HA LEU A 49 2.128 -10.381 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.897 -10.679 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.963 -11.661 2.853 1.00 0.00 H new ATOM 0 HG LEU A 49 4.672 -8.724 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.922 -9.510 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.362 -10.267 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.327 -11.187 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.304 -8.852 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.652 -10.506 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.563 -9.134 0.951 1.00 0.00 H new ATOM 311 N PRO A 50 1.023 -12.418 2.946 1.00 0.00 N ATOM 312 CA PRO A 50 0.151 -13.448 3.519 1.00 0.00 C ATOM 313 C PRO A 50 0.764 -14.103 4.758 1.00 0.00 C ATOM 314 O PRO A 50 0.433 -13.739 5.886 1.00 0.00 O ATOM 315 CB PRO A 50 -0.010 -14.467 2.383 1.00 0.00 C ATOM 316 CG PRO A 50 1.135 -14.210 1.462 1.00 0.00 C ATOM 317 CD PRO A 50 1.434 -12.743 1.571 1.00 0.00 C ATOM 0 HA PRO A 50 -0.797 -13.033 3.861 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.012 -15.488 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.964 -14.339 1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.003 -14.807 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.880 -14.481 0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.491 -12.534 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.876 -12.163 0.836 1.00 0.00 H new ATOM 325 N ARG A 51 1.656 -15.069 4.546 1.00 0.00 N ATOM 326 CA ARG A 51 2.304 -15.762 5.653 1.00 0.00 C ATOM 327 C ARG A 51 3.720 -16.192 5.279 1.00 0.00 C ATOM 328 O ARG A 51 4.699 -15.682 5.824 1.00 0.00 O ATOM 329 CB ARG A 51 1.482 -16.983 6.070 1.00 0.00 C ATOM 330 CG ARG A 51 1.533 -17.268 7.563 1.00 0.00 C ATOM 331 CD ARG A 51 1.916 -18.712 7.845 1.00 0.00 C ATOM 332 NE ARG A 51 1.810 -19.041 9.264 1.00 0.00 N ATOM 333 CZ ARG A 51 0.653 -19.159 9.912 1.00 0.00 C ATOM 334 NH1 ARG A 51 -0.496 -18.975 9.273 1.00 0.00 N ATOM 335 NH2 ARG A 51 0.645 -19.462 11.203 1.00 0.00 N ATOM 0 H ARG A 51 1.944 -15.387 3.621 1.00 0.00 H new ATOM 0 HA ARG A 51 2.366 -15.069 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.444 -16.831 5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.844 -17.857 5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.253 -16.601 8.037 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.561 -17.055 8.008 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.271 -19.377 7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.937 -18.888 7.508 1.00 0.00 H new ATOM 0 HE ARG A 51 2.672 -19.189 9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.496 -18.742 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.379 -19.067 9.775 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.525 -19.604 11.699 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.241 -19.553 11.700 1.00 0.00 H new ATOM 349 N ASP A 52 3.820 -17.137 4.349 1.00 0.00 N ATOM 350 CA ASP A 52 5.115 -17.641 3.903 1.00 0.00 C ATOM 351 C ASP A 52 5.985 -16.514 3.357 1.00 0.00 C ATOM 352 O ASP A 52 7.199 -16.501 3.560 1.00 0.00 O ATOM 353 CB ASP A 52 4.924 -18.717 2.832 1.00 0.00 C ATOM 354 CG ASP A 52 3.982 -19.817 3.279 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.450 -20.767 3.942 1.00 0.00 O ATOM 356 OD2 ASP A 52 2.776 -19.730 2.965 1.00 0.00 O ATOM 0 H ASP A 52 3.019 -17.570 3.889 1.00 0.00 H new ATOM 0 HA ASP A 52 5.621 -18.077 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.535 -18.257 1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.892 -19.151 2.580 1.00 0.00 H new ATOM 361 N GLN A 53 5.358 -15.570 2.663 1.00 0.00 N ATOM 362 CA GLN A 53 6.077 -14.440 2.086 1.00 0.00 C ATOM 363 C GLN A 53 6.831 -13.665 3.163 1.00 0.00 C ATOM 364 O GLN A 53 7.990 -13.295 2.977 1.00 0.00 O ATOM 365 CB GLN A 53 5.106 -13.510 1.355 1.00 0.00 C ATOM 366 CG GLN A 53 5.044 -13.753 -0.144 1.00 0.00 C ATOM 367 CD GLN A 53 3.795 -14.504 -0.561 1.00 0.00 C ATOM 368 OE1 GLN A 53 2.757 -13.765 -0.935 1.00 0.00 O flip ATOM 369 NE2 GLN A 53 3.764 -15.735 -0.549 1.00 0.00 N flip ATOM 0 H GLN A 53 4.353 -15.565 2.486 1.00 0.00 H new ATOM 0 HA GLN A 53 6.802 -14.830 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.109 -13.635 1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.401 -12.476 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.079 -12.796 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.923 -14.318 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.585 -16.263 -0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.917 -16.227 -0.834 1.00 0.00 H new ATOM 378 N HIS A 54 6.165 -13.421 4.287 1.00 0.00 N ATOM 379 CA HIS A 54 6.773 -12.689 5.392 1.00 0.00 C ATOM 380 C HIS A 54 7.897 -13.501 6.031 1.00 0.00 C ATOM 381 O HIS A 54 8.962 -12.968 6.342 1.00 0.00 O ATOM 382 CB HIS A 54 5.719 -12.342 6.445 1.00 0.00 C ATOM 383 CG HIS A 54 6.274 -11.601 7.624 1.00 0.00 C ATOM 384 ND1 HIS A 54 7.193 -12.151 8.492 1.00 0.00 N ATOM 385 CD2 HIS A 54 6.042 -10.344 8.072 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.503 -11.266 9.422 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.818 -10.161 9.190 1.00 0.00 N ATOM 0 H HIS A 54 5.204 -13.719 4.457 1.00 0.00 H new ATOM 0 HA HIS A 54 7.196 -11.767 4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.938 -11.739 5.981 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.248 -13.261 6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.372 -9.621 7.632 1.00 0.00 H new ATOM 0 HE1 HIS A 54 8.198 -11.420 10.234 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.859 -9.310 9.750 1.00 0.00 H new ATOM 396 N GLU A 55 7.648 -14.792 6.228 1.00 0.00 N ATOM 397 CA GLU A 55 8.633 -15.682 6.837 1.00 0.00 C ATOM 398 C GLU A 55 9.976 -15.614 6.112 1.00 0.00 C ATOM 399 O GLU A 55 11.016 -15.937 6.686 1.00 0.00 O ATOM 400 CB GLU A 55 8.115 -17.122 6.834 1.00 0.00 C ATOM 401 CG GLU A 55 6.972 -17.359 7.806 1.00 0.00 C ATOM 402 CD GLU A 55 6.930 -18.786 8.319 1.00 0.00 C ATOM 403 OE1 GLU A 55 7.914 -19.217 8.954 1.00 0.00 O ATOM 404 OE2 GLU A 55 5.912 -19.471 8.085 1.00 0.00 O ATOM 0 H GLU A 55 6.771 -15.247 5.974 1.00 0.00 H new ATOM 0 HA GLU A 55 8.787 -15.352 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.784 -17.378 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.936 -17.795 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.070 -16.676 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.028 -17.125 7.315 1.00 0.00 H new ATOM 411 N PHE A 56 9.950 -15.200 4.850 1.00 0.00 N ATOM 412 CA PHE A 56 11.169 -15.101 4.055 1.00 0.00 C ATOM 413 C PHE A 56 11.777 -13.702 4.152 1.00 0.00 C ATOM 414 O PHE A 56 12.959 -13.549 4.453 1.00 0.00 O ATOM 415 CB PHE A 56 10.869 -15.457 2.591 1.00 0.00 C ATOM 416 CG PHE A 56 11.807 -14.831 1.592 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.178 -14.995 1.709 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.313 -14.079 0.539 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.039 -14.420 0.793 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.169 -13.501 -0.380 1.00 0.00 C ATOM 421 CZ PHE A 56 13.534 -13.672 -0.252 1.00 0.00 C ATOM 0 H PHE A 56 9.100 -14.928 4.356 1.00 0.00 H new ATOM 0 HA PHE A 56 11.897 -15.809 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.908 -16.540 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.850 -15.149 2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.578 -15.579 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.247 -13.943 0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.106 -14.556 0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.771 -12.917 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.205 -13.221 -0.968 1.00 0.00 H new ATOM 431 N VAL A 57 10.965 -12.689 3.878 1.00 0.00 N ATOM 432 CA VAL A 57 11.423 -11.304 3.914 1.00 0.00 C ATOM 433 C VAL A 57 11.752 -10.830 5.332 1.00 0.00 C ATOM 434 O VAL A 57 12.302 -9.743 5.510 1.00 0.00 O ATOM 435 CB VAL A 57 10.371 -10.358 3.300 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.066 -10.431 4.077 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.893 -8.928 3.250 1.00 0.00 C ATOM 0 H VAL A 57 9.983 -12.800 3.627 1.00 0.00 H new ATOM 0 HA VAL A 57 12.339 -11.273 3.324 1.00 0.00 H new ATOM 0 HB VAL A 57 10.177 -10.682 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.337 -9.756 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.682 -11.451 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.242 -10.138 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.134 -8.279 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.123 -8.589 4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.796 -8.891 2.641 1.00 0.00 H new ATOM 447 N SER A 58 11.404 -11.626 6.341 1.00 0.00 N ATOM 448 CA SER A 58 11.665 -11.237 7.726 1.00 0.00 C ATOM 449 C SER A 58 12.531 -12.256 8.468 1.00 0.00 C ATOM 450 O SER A 58 13.252 -11.898 9.399 1.00 0.00 O ATOM 451 CB SER A 58 10.345 -11.044 8.474 1.00 0.00 C ATOM 452 OG SER A 58 9.882 -9.710 8.356 1.00 0.00 O ATOM 0 H SER A 58 10.947 -12.531 6.229 1.00 0.00 H new ATOM 0 HA SER A 58 12.218 -10.298 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.595 -11.729 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.480 -11.294 9.526 1.00 0.00 H new ATOM 0 HG SER A 58 9.508 -9.417 9.213 1.00 0.00 H new ATOM 458 N SER A 59 12.449 -13.522 8.074 1.00 0.00 N ATOM 459 CA SER A 59 13.221 -14.571 8.737 1.00 0.00 C ATOM 460 C SER A 59 14.412 -15.036 7.899 1.00 0.00 C ATOM 461 O SER A 59 15.256 -15.790 8.383 1.00 0.00 O ATOM 462 CB SER A 59 12.320 -15.764 9.061 1.00 0.00 C ATOM 463 OG SER A 59 12.632 -16.309 10.331 1.00 0.00 O ATOM 0 H SER A 59 11.862 -13.847 7.306 1.00 0.00 H new ATOM 0 HA SER A 59 13.616 -14.144 9.659 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.276 -15.451 9.043 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.436 -16.530 8.295 1.00 0.00 H new ATOM 0 HG SER A 59 12.041 -17.069 10.515 1.00 0.00 H new ATOM 469 N GLN A 60 14.478 -14.603 6.643 1.00 0.00 N ATOM 470 CA GLN A 60 15.573 -15.007 5.766 1.00 0.00 C ATOM 471 C GLN A 60 16.237 -13.805 5.099 1.00 0.00 C ATOM 472 O GLN A 60 17.432 -13.567 5.278 1.00 0.00 O ATOM 473 CB GLN A 60 15.059 -15.972 4.698 1.00 0.00 C ATOM 474 CG GLN A 60 14.920 -17.403 5.188 1.00 0.00 C ATOM 475 CD GLN A 60 14.919 -18.409 4.054 1.00 0.00 C ATOM 476 OE1 GLN A 60 13.862 -18.846 3.597 1.00 0.00 O ATOM 477 NE2 GLN A 60 16.107 -18.782 3.592 1.00 0.00 N ATOM 0 H GLN A 60 13.795 -13.979 6.213 1.00 0.00 H new ATOM 0 HA GLN A 60 16.322 -15.505 6.381 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.090 -15.623 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.738 -15.953 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.739 -17.631 5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.995 -17.500 5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.958 -18.394 4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.169 -19.456 2.829 1.00 0.00 H new ATOM 486 N ALA A 61 15.457 -13.061 4.320 1.00 0.00 N ATOM 487 CA ALA A 61 15.961 -11.889 3.607 1.00 0.00 C ATOM 488 C ALA A 61 16.893 -11.046 4.478 1.00 0.00 C ATOM 489 O ALA A 61 16.749 -11.005 5.700 1.00 0.00 O ATOM 490 CB ALA A 61 14.799 -11.045 3.107 1.00 0.00 C ATOM 0 H ALA A 61 14.467 -13.250 4.165 1.00 0.00 H new ATOM 0 HA ALA A 61 16.544 -12.244 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.184 -10.174 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.183 -11.638 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.196 -10.717 3.954 1.00 0.00 H new ATOM 496 N PRO A 62 17.868 -10.363 3.851 1.00 0.00 N ATOM 497 CA PRO A 62 18.832 -9.519 4.566 1.00 0.00 C ATOM 498 C PRO A 62 18.191 -8.256 5.133 1.00 0.00 C ATOM 499 O PRO A 62 17.119 -7.841 4.694 1.00 0.00 O ATOM 500 CB PRO A 62 19.858 -9.159 3.489 1.00 0.00 C ATOM 501 CG PRO A 62 19.110 -9.258 2.206 1.00 0.00 C ATOM 502 CD PRO A 62 18.108 -10.363 2.395 1.00 0.00 C ATOM 0 HA PRO A 62 19.260 -10.032 5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.254 -8.155 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.707 -9.843 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.613 -8.317 1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.783 -9.479 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.191 -10.174 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.498 -11.322 2.052 1.00 0.00 H new ATOM 510 N GLN A 63 18.857 -7.651 6.113 1.00 0.00 N ATOM 511 CA GLN A 63 18.357 -6.434 6.748 1.00 0.00 C ATOM 512 C GLN A 63 17.907 -5.411 5.708 1.00 0.00 C ATOM 513 O GLN A 63 16.875 -4.760 5.871 1.00 0.00 O ATOM 514 CB GLN A 63 19.437 -5.824 7.644 1.00 0.00 C ATOM 515 CG GLN A 63 18.929 -4.696 8.528 1.00 0.00 C ATOM 516 CD GLN A 63 19.695 -4.586 9.831 1.00 0.00 C ATOM 517 OE1 GLN A 63 19.263 -5.099 10.864 1.00 0.00 O ATOM 518 NE2 GLN A 63 20.840 -3.914 9.790 1.00 0.00 N ATOM 0 H GLN A 63 19.746 -7.984 6.486 1.00 0.00 H new ATOM 0 HA GLN A 63 17.494 -6.704 7.356 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.859 -6.607 8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.246 -5.448 7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.004 -3.753 7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.873 -4.856 8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 63 21.160 -3.505 8.912 1.00 0.00 H new ATOM 0 HE22 GLN A 63 21.399 -3.807 10.636 1.00 0.00 H new ATOM 527 N SER A 64 18.685 -5.276 4.638 1.00 0.00 N ATOM 528 CA SER A 64 18.362 -4.333 3.571 1.00 0.00 C ATOM 529 C SER A 64 16.958 -4.587 3.032 1.00 0.00 C ATOM 530 O SER A 64 16.251 -3.656 2.645 1.00 0.00 O ATOM 531 CB SER A 64 19.386 -4.442 2.438 1.00 0.00 C ATOM 532 OG SER A 64 19.810 -3.160 2.008 1.00 0.00 O ATOM 0 H SER A 64 19.543 -5.807 4.486 1.00 0.00 H new ATOM 0 HA SER A 64 18.397 -3.325 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 64 20.247 -5.019 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.949 -4.984 1.599 1.00 0.00 H new ATOM 0 HG SER A 64 20.465 -3.257 1.285 1.00 0.00 H new ATOM 538 N LEU A 65 16.561 -5.854 3.015 1.00 0.00 N ATOM 539 CA LEU A 65 15.242 -6.237 2.529 1.00 0.00 C ATOM 540 C LEU A 65 14.181 -6.019 3.605 1.00 0.00 C ATOM 541 O LEU A 65 13.017 -5.758 3.299 1.00 0.00 O ATOM 542 CB LEU A 65 15.247 -7.703 2.091 1.00 0.00 C ATOM 543 CG LEU A 65 14.411 -8.012 0.847 1.00 0.00 C ATOM 544 CD1 LEU A 65 12.937 -7.751 1.116 1.00 0.00 C ATOM 545 CD2 LEU A 65 14.895 -7.188 -0.338 1.00 0.00 C ATOM 0 H LEU A 65 17.135 -6.635 3.333 1.00 0.00 H new ATOM 0 HA LEU A 65 14.999 -5.608 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.277 -8.006 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.881 -8.314 2.916 1.00 0.00 H new ATOM 0 HG LEU A 65 14.532 -9.067 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.358 -7.976 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.599 -8.385 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.796 -6.704 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.290 -7.420 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.804 -6.127 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.938 -7.426 -0.545 1.00 0.00 H new ATOM 557 N ARG A 66 14.590 -6.133 4.865 1.00 0.00 N ATOM 558 CA ARG A 66 13.674 -5.955 5.987 1.00 0.00 C ATOM 559 C ARG A 66 13.380 -4.478 6.241 1.00 0.00 C ATOM 560 O ARG A 66 12.220 -4.072 6.304 1.00 0.00 O ATOM 561 CB ARG A 66 14.253 -6.596 7.248 1.00 0.00 C ATOM 562 CG ARG A 66 14.569 -8.074 7.089 1.00 0.00 C ATOM 563 CD ARG A 66 15.428 -8.586 8.234 1.00 0.00 C ATOM 564 NE ARG A 66 15.846 -9.971 8.028 1.00 0.00 N ATOM 565 CZ ARG A 66 16.837 -10.553 8.699 1.00 0.00 C ATOM 566 NH1 ARG A 66 17.514 -9.874 9.617 1.00 0.00 N ATOM 567 NH2 ARG A 66 17.152 -11.817 8.451 1.00 0.00 N ATOM 0 H ARG A 66 15.550 -6.348 5.135 1.00 0.00 H new ATOM 0 HA ARG A 66 12.735 -6.446 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.163 -6.067 7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.545 -6.470 8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.640 -8.643 7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.086 -8.237 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.309 -7.953 8.337 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.870 -8.511 9.167 1.00 0.00 H new ATOM 0 HE ARG A 66 15.349 -10.524 7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.276 -8.901 9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.273 -10.325 10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.635 -12.343 7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.911 -12.264 8.965 1.00 0.00 H new ATOM 581 N ASN A 67 14.431 -3.677 6.396 1.00 0.00 N ATOM 582 CA ASN A 67 14.261 -2.249 6.651 1.00 0.00 C ATOM 583 C ASN A 67 13.470 -1.583 5.529 1.00 0.00 C ATOM 584 O ASN A 67 12.689 -0.664 5.772 1.00 0.00 O ATOM 585 CB ASN A 67 15.616 -1.555 6.828 1.00 0.00 C ATOM 586 CG ASN A 67 16.660 -2.033 5.839 1.00 0.00 C ATOM 587 OD1 ASN A 67 16.364 -2.264 4.667 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.893 -2.182 6.311 1.00 0.00 N ATOM 0 H ASN A 67 15.401 -3.988 6.350 1.00 0.00 H new ATOM 0 HA ASN A 67 13.698 -2.146 7.579 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.484 -0.479 6.717 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.977 -1.729 7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.640 -2.500 5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.092 -1.978 7.290 1.00 0.00 H new ATOM 595 N ARG A 68 13.666 -2.057 4.301 1.00 0.00 N ATOM 596 CA ARG A 68 12.955 -1.504 3.155 1.00 0.00 C ATOM 597 C ARG A 68 11.498 -1.958 3.162 1.00 0.00 C ATOM 598 O ARG A 68 10.611 -1.248 2.688 1.00 0.00 O ATOM 599 CB ARG A 68 13.631 -1.928 1.848 1.00 0.00 C ATOM 600 CG ARG A 68 13.476 -3.406 1.528 1.00 0.00 C ATOM 601 CD ARG A 68 13.851 -3.710 0.086 1.00 0.00 C ATOM 602 NE ARG A 68 12.691 -4.117 -0.705 1.00 0.00 N ATOM 603 CZ ARG A 68 12.711 -4.271 -2.027 1.00 0.00 C ATOM 604 NH1 ARG A 68 13.828 -4.055 -2.710 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.611 -4.643 -2.667 1.00 0.00 N ATOM 0 H ARG A 68 14.307 -2.818 4.076 1.00 0.00 H new ATOM 0 HA ARG A 68 12.984 -0.417 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.215 -1.343 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.693 -1.687 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.104 -3.992 2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.445 -3.712 1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.306 -2.828 -0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.600 -4.501 0.065 1.00 0.00 H new ATOM 0 HE ARG A 68 11.814 -4.293 -0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.677 -3.769 -2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.838 -4.175 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.750 -4.811 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.626 -4.761 -3.680 1.00 0.00 H new ATOM 619 N TYR A 69 11.263 -3.149 3.706 1.00 0.00 N ATOM 620 CA TYR A 69 9.919 -3.711 3.783 1.00 0.00 C ATOM 621 C TYR A 69 8.971 -2.761 4.508 1.00 0.00 C ATOM 622 O TYR A 69 7.957 -2.337 3.954 1.00 0.00 O ATOM 623 CB TYR A 69 9.959 -5.063 4.501 1.00 0.00 C ATOM 624 CG TYR A 69 8.605 -5.718 4.645 1.00 0.00 C ATOM 625 CD1 TYR A 69 8.103 -6.544 3.649 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.830 -5.511 5.779 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.866 -7.146 3.778 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.592 -6.110 5.916 1.00 0.00 C ATOM 629 CZ TYR A 69 6.115 -6.926 4.913 1.00 0.00 C ATOM 630 OH TYR A 69 4.883 -7.524 5.045 1.00 0.00 O ATOM 0 H TYR A 69 11.990 -3.745 4.101 1.00 0.00 H new ATOM 0 HA TYR A 69 9.548 -3.854 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.621 -5.735 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.393 -4.925 5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.689 -6.719 2.759 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.201 -4.872 6.566 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.489 -7.786 2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.002 -5.940 6.804 1.00 0.00 H new ATOM 0 HH TYR A 69 4.485 -7.267 5.903 1.00 0.00 H new ATOM 640 N ASN A 70 9.309 -2.430 5.750 1.00 0.00 N ATOM 641 CA ASN A 70 8.488 -1.528 6.550 1.00 0.00 C ATOM 642 C ASN A 70 8.521 -0.112 5.981 1.00 0.00 C ATOM 643 O ASN A 70 7.584 0.664 6.169 1.00 0.00 O ATOM 644 CB ASN A 70 8.969 -1.521 8.003 1.00 0.00 C ATOM 645 CG ASN A 70 8.088 -2.360 8.908 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.880 -2.460 8.698 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.692 -2.969 9.922 1.00 0.00 N ATOM 0 H ASN A 70 10.145 -2.772 6.224 1.00 0.00 H new ATOM 0 HA ASN A 70 7.459 -1.887 6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.991 -1.896 8.046 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.990 -0.495 8.371 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.151 -3.548 10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.697 -2.858 10.058 1.00 0.00 H new ATOM 654 N ASN A 71 9.606 0.218 5.287 1.00 0.00 N ATOM 655 CA ASN A 71 9.760 1.541 4.691 1.00 0.00 C ATOM 656 C ASN A 71 8.622 1.839 3.719 1.00 0.00 C ATOM 657 O ASN A 71 7.849 2.776 3.921 1.00 0.00 O ATOM 658 CB ASN A 71 11.106 1.642 3.968 1.00 0.00 C ATOM 659 CG ASN A 71 11.860 2.908 4.326 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.307 4.007 4.286 1.00 0.00 O ATOM 661 ND2 ASN A 71 13.132 2.759 4.677 1.00 0.00 N ATOM 0 H ASN A 71 10.391 -0.412 5.123 1.00 0.00 H new ATOM 0 HA ASN A 71 9.728 2.279 5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.717 0.775 4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.940 1.613 2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.691 3.575 4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.550 1.829 4.696 1.00 0.00 H new ATOM 668 N LEU A 72 8.524 1.035 2.663 1.00 0.00 N ATOM 669 CA LEU A 72 7.480 1.216 1.661 1.00 0.00 C ATOM 670 C LEU A 72 6.096 1.158 2.300 1.00 0.00 C ATOM 671 O LEU A 72 5.162 1.814 1.840 1.00 0.00 O ATOM 672 CB LEU A 72 7.597 0.154 0.566 1.00 0.00 C ATOM 673 CG LEU A 72 7.567 -1.296 1.055 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.150 -1.705 1.435 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.126 -2.228 -0.011 1.00 0.00 C ATOM 0 H LEU A 72 9.154 0.254 2.480 1.00 0.00 H new ATOM 0 HA LEU A 72 7.612 2.201 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.783 0.297 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.527 0.318 0.022 1.00 0.00 H new ATOM 0 HG LEU A 72 8.194 -1.373 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.150 -2.739 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.785 -1.057 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.499 -1.613 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.098 -3.255 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.525 -2.147 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.156 -1.950 -0.233 1.00 0.00 H new ATOM 687 N TYR A 73 5.972 0.371 3.364 1.00 0.00 N ATOM 688 CA TYR A 73 4.699 0.235 4.061 1.00 0.00 C ATOM 689 C TYR A 73 4.413 1.467 4.911 1.00 0.00 C ATOM 690 O TYR A 73 3.258 1.847 5.102 1.00 0.00 O ATOM 691 CB TYR A 73 4.696 -1.019 4.938 1.00 0.00 C ATOM 692 CG TYR A 73 3.311 -1.447 5.372 1.00 0.00 C ATOM 693 CD1 TYR A 73 2.239 -1.395 4.490 1.00 0.00 C ATOM 694 CD2 TYR A 73 3.077 -1.900 6.664 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.972 -1.782 4.882 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.812 -2.290 7.064 1.00 0.00 C ATOM 697 CZ TYR A 73 0.764 -2.229 6.170 1.00 0.00 C ATOM 698 OH TYR A 73 -0.496 -2.615 6.566 1.00 0.00 O ATOM 0 H TYR A 73 6.734 -0.180 3.760 1.00 0.00 H new ATOM 0 HA TYR A 73 3.914 0.140 3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.166 -1.837 4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.305 -0.836 5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.399 -1.046 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.895 -1.948 7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.149 -1.735 4.184 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.646 -2.641 8.072 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.470 -2.904 7.502 1.00 0.00 H new ATOM 708 N SER A 74 5.473 2.095 5.416 1.00 0.00 N ATOM 709 CA SER A 74 5.330 3.291 6.238 1.00 0.00 C ATOM 710 C SER A 74 4.535 4.357 5.491 1.00 0.00 C ATOM 711 O SER A 74 3.681 5.031 6.067 1.00 0.00 O ATOM 712 CB SER A 74 6.706 3.836 6.630 1.00 0.00 C ATOM 713 OG SER A 74 6.949 3.657 8.015 1.00 0.00 O ATOM 0 H SER A 74 6.437 1.795 5.270 1.00 0.00 H new ATOM 0 HA SER A 74 4.789 3.024 7.146 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.479 3.329 6.053 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.766 4.895 6.381 1.00 0.00 H new ATOM 0 HG SER A 74 7.834 4.011 8.240 1.00 0.00 H new ATOM 719 N HIS A 75 4.817 4.491 4.199 1.00 0.00 N ATOM 720 CA HIS A 75 4.125 5.462 3.362 1.00 0.00 C ATOM 721 C HIS A 75 2.751 4.938 2.953 1.00 0.00 C ATOM 722 O HIS A 75 1.853 5.713 2.623 1.00 0.00 O ATOM 723 CB HIS A 75 4.956 5.777 2.116 1.00 0.00 C ATOM 724 CG HIS A 75 4.713 7.147 1.566 1.00 0.00 C ATOM 725 ND1 HIS A 75 5.724 8.057 1.336 1.00 0.00 N ATOM 726 CD2 HIS A 75 3.565 7.764 1.198 1.00 0.00 C ATOM 727 CE1 HIS A 75 5.208 9.173 0.853 1.00 0.00 C ATOM 728 NE2 HIS A 75 3.900 9.021 0.759 1.00 0.00 N ATOM 0 H HIS A 75 5.521 3.938 3.709 1.00 0.00 H new ATOM 0 HA HIS A 75 3.991 6.377 3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.014 5.674 2.359 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.733 5.040 1.345 1.00 0.00 H new ATOM 0 HD1 HIS A 75 6.715 7.894 1.512 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.571 7.345 1.242 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.762 10.059 0.581 1.00 0.00 H new ATOM 737 N THR A 76 2.595 3.616 2.977 1.00 0.00 N ATOM 738 CA THR A 76 1.332 2.987 2.610 1.00 0.00 C ATOM 739 C THR A 76 0.319 3.089 3.746 1.00 0.00 C ATOM 740 O THR A 76 -0.883 3.210 3.511 1.00 0.00 O ATOM 741 CB THR A 76 1.556 1.519 2.252 1.00 0.00 C ATOM 742 OG1 THR A 76 2.549 1.391 1.250 1.00 0.00 O ATOM 743 CG2 THR A 76 0.305 0.832 1.752 1.00 0.00 C ATOM 0 H THR A 76 3.329 2.961 3.247 1.00 0.00 H new ATOM 0 HA THR A 76 0.935 3.514 1.742 1.00 0.00 H new ATOM 0 HB THR A 76 1.871 1.039 3.179 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.435 1.517 1.650 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.531 -0.208 1.515 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.464 0.869 2.524 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.055 1.338 0.856 1.00 0.00 H new ATOM 751 N GLN A 77 0.813 3.034 4.977 1.00 0.00 N ATOM 752 CA GLN A 77 -0.048 3.115 6.150 1.00 0.00 C ATOM 753 C GLN A 77 -0.491 4.552 6.409 1.00 0.00 C ATOM 754 O GLN A 77 -1.544 4.788 7.003 1.00 0.00 O ATOM 755 CB GLN A 77 0.678 2.564 7.378 1.00 0.00 C ATOM 756 CG GLN A 77 1.958 3.311 7.714 1.00 0.00 C ATOM 757 CD GLN A 77 2.590 2.832 9.007 1.00 0.00 C ATOM 758 OE1 GLN A 77 2.654 1.631 9.272 1.00 0.00 O ATOM 759 NE2 GLN A 77 3.060 3.771 9.820 1.00 0.00 N ATOM 0 H GLN A 77 1.806 2.934 5.189 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.936 2.513 5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.007 2.606 8.236 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.914 1.513 7.209 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.671 3.189 6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.743 4.377 7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.986 4.755 9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.495 3.509 10.704 1.00 0.00 H new ATOM 768 N ARG A 78 0.319 5.509 5.968 1.00 0.00 N ATOM 769 CA ARG A 78 0.007 6.921 6.161 1.00 0.00 C ATOM 770 C ARG A 78 -0.793 7.480 4.987 1.00 0.00 C ATOM 771 O ARG A 78 -1.579 8.413 5.150 1.00 0.00 O ATOM 772 CB ARG A 78 1.294 7.728 6.347 1.00 0.00 C ATOM 773 CG ARG A 78 2.243 7.647 5.162 1.00 0.00 C ATOM 774 CD ARG A 78 2.196 8.911 4.318 1.00 0.00 C ATOM 775 NE ARG A 78 3.531 9.356 3.925 1.00 0.00 N ATOM 776 CZ ARG A 78 3.799 10.570 3.450 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.827 11.463 3.306 1.00 0.00 N ATOM 778 NH2 ARG A 78 5.042 10.894 3.119 1.00 0.00 N ATOM 0 H ARG A 78 1.195 5.333 5.475 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.604 7.007 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.035 8.772 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.810 7.372 7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.260 7.486 5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.982 6.787 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.597 8.729 3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.700 9.703 4.879 1.00 0.00 H new ATOM 0 HE ARG A 78 4.304 8.697 4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.869 11.220 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.038 12.392 2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.793 10.213 3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.247 11.825 2.755 1.00 0.00 H new ATOM 792 N THR A 79 -0.591 6.907 3.804 1.00 0.00 N ATOM 793 CA THR A 79 -1.298 7.359 2.609 1.00 0.00 C ATOM 794 C THR A 79 -2.761 6.929 2.645 1.00 0.00 C ATOM 795 O THR A 79 -3.659 7.728 2.377 1.00 0.00 O ATOM 796 CB THR A 79 -0.624 6.814 1.348 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.225 7.354 0.185 1.00 0.00 O ATOM 798 CG2 THR A 79 -0.688 5.307 1.238 1.00 0.00 C ATOM 0 H THR A 79 0.053 6.132 3.647 1.00 0.00 H new ATOM 0 HA THR A 79 -1.258 8.448 2.588 1.00 0.00 H new ATOM 0 HB THR A 79 0.421 7.112 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.004 6.813 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.192 4.988 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.189 4.858 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.730 4.988 1.217 1.00 0.00 H new ATOM 806 N LEU A 80 -2.996 5.662 2.976 1.00 0.00 N ATOM 807 CA LEU A 80 -4.354 5.130 3.046 1.00 0.00 C ATOM 808 C LEU A 80 -5.213 5.954 4.000 1.00 0.00 C ATOM 809 O LEU A 80 -6.422 6.085 3.808 1.00 0.00 O ATOM 810 CB LEU A 80 -4.333 3.669 3.499 1.00 0.00 C ATOM 811 CG LEU A 80 -3.704 2.685 2.511 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.179 1.458 3.241 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.715 2.284 1.454 1.00 0.00 C ATOM 0 H LEU A 80 -2.266 4.986 3.199 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.789 5.188 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.791 3.607 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.357 3.353 3.698 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.864 3.175 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.735 0.769 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.424 1.761 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.001 0.963 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.255 1.584 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.572 1.810 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.046 3.170 0.912 1.00 0.00 H new ATOM 825 N ASP A 81 -4.579 6.506 5.030 1.00 0.00 N ATOM 826 CA ASP A 81 -5.283 7.317 6.017 1.00 0.00 C ATOM 827 C ASP A 81 -5.967 8.509 5.357 1.00 0.00 C ATOM 828 O ASP A 81 -7.167 8.720 5.528 1.00 0.00 O ATOM 829 CB ASP A 81 -4.311 7.803 7.094 1.00 0.00 C ATOM 830 CG ASP A 81 -4.186 6.824 8.245 1.00 0.00 C ATOM 831 OD1 ASP A 81 -4.276 5.603 7.998 1.00 0.00 O ATOM 832 OD2 ASP A 81 -3.997 7.278 9.393 1.00 0.00 O ATOM 0 H ASP A 81 -3.579 6.406 5.203 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.049 6.695 6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.329 7.962 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.648 8.767 7.475 1.00 0.00 H new ATOM 837 N MET A 82 -5.196 9.287 4.602 1.00 0.00 N ATOM 838 CA MET A 82 -5.728 10.460 3.915 1.00 0.00 C ATOM 839 C MET A 82 -6.921 10.088 3.040 1.00 0.00 C ATOM 840 O MET A 82 -7.921 10.804 3.000 1.00 0.00 O ATOM 841 CB MET A 82 -4.640 11.113 3.061 1.00 0.00 C ATOM 842 CG MET A 82 -3.447 11.603 3.865 1.00 0.00 C ATOM 843 SD MET A 82 -2.304 12.590 2.880 1.00 0.00 S ATOM 844 CE MET A 82 -1.815 11.399 1.635 1.00 0.00 C ATOM 0 H MET A 82 -4.200 9.126 4.450 1.00 0.00 H new ATOM 0 HA MET A 82 -6.064 11.170 4.671 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.295 10.396 2.316 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.072 11.954 2.518 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.801 12.197 4.708 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.917 10.746 4.280 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.742 11.476 1.459 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.055 10.393 1.980 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.350 11.602 0.707 1.00 0.00 H new ATOM 854 N ALA A 83 -6.808 8.963 2.342 1.00 0.00 N ATOM 855 CA ALA A 83 -7.878 8.496 1.469 1.00 0.00 C ATOM 856 C ALA A 83 -9.172 8.296 2.249 1.00 0.00 C ATOM 857 O ALA A 83 -10.172 8.968 1.996 1.00 0.00 O ATOM 858 CB ALA A 83 -7.468 7.203 0.780 1.00 0.00 C ATOM 0 H ALA A 83 -5.987 8.358 2.364 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.056 9.258 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.276 6.865 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.572 7.377 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.262 6.440 1.531 1.00 0.00 H new ATOM 864 N ASP A 84 -9.146 7.369 3.201 1.00 0.00 N ATOM 865 CA ASP A 84 -10.316 7.082 4.020 1.00 0.00 C ATOM 866 C ASP A 84 -10.365 8.002 5.236 1.00 0.00 C ATOM 867 O ASP A 84 -10.309 7.546 6.378 1.00 0.00 O ATOM 868 CB ASP A 84 -10.305 5.619 4.469 1.00 0.00 C ATOM 869 CG ASP A 84 -11.679 5.132 4.886 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.451 4.704 4.002 1.00 0.00 O ATOM 871 OD2 ASP A 84 -11.984 5.178 6.096 1.00 0.00 O ATOM 0 H ASP A 84 -8.327 6.804 3.424 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.206 7.260 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.933 4.995 3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.613 5.503 5.303 1.00 0.00 H new ATOM 876 N MET A 85 -10.470 9.301 4.980 1.00 0.00 N ATOM 877 CA MET A 85 -10.527 10.289 6.050 1.00 0.00 C ATOM 878 C MET A 85 -11.753 11.183 5.901 1.00 0.00 C ATOM 879 O MET A 85 -12.564 11.299 6.820 1.00 0.00 O ATOM 880 CB MET A 85 -9.259 11.144 6.054 1.00 0.00 C ATOM 881 CG MET A 85 -8.963 11.788 7.398 1.00 0.00 C ATOM 882 SD MET A 85 -8.371 10.602 8.621 1.00 0.00 S ATOM 883 CE MET A 85 -9.258 11.148 10.078 1.00 0.00 C ATOM 0 H MET A 85 -10.517 9.694 4.040 1.00 0.00 H new ATOM 0 HA MET A 85 -10.600 9.755 6.997 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.411 10.523 5.764 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.355 11.925 5.300 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.216 12.570 7.265 1.00 0.00 H new ATOM 0 HG3 MET A 85 -9.866 12.270 7.772 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.970 10.533 10.931 1.00 0.00 H new ATOM 0 HE2 MET A 85 -9.014 12.190 10.283 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.330 11.053 9.908 1.00 0.00 H new ATOM 893 N GLN A 86 -11.880 11.814 4.739 1.00 0.00 N ATOM 894 CA GLN A 86 -13.007 12.700 4.474 1.00 0.00 C ATOM 895 C GLN A 86 -14.317 11.914 4.397 1.00 0.00 C ATOM 896 O GLN A 86 -15.024 11.786 5.396 1.00 0.00 O ATOM 897 CB GLN A 86 -12.773 13.487 3.179 1.00 0.00 C ATOM 898 CG GLN A 86 -13.954 14.352 2.766 1.00 0.00 C ATOM 899 CD GLN A 86 -13.553 15.485 1.842 1.00 0.00 C ATOM 900 OE1 GLN A 86 -12.368 15.757 1.651 1.00 0.00 O ATOM 901 NE2 GLN A 86 -14.544 16.153 1.262 1.00 0.00 N ATOM 0 H GLN A 86 -11.218 11.729 3.967 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.087 13.405 5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.896 14.122 3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.548 12.787 2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -14.699 13.730 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -14.426 14.765 3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.512 15.893 1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.337 16.926 0.629 1.00 0.00 H new ATOM 910 N HIS A 87 -14.631 11.390 3.205 1.00 0.00 N ATOM 911 CA HIS A 87 -15.856 10.612 2.976 1.00 0.00 C ATOM 912 C HIS A 87 -16.973 10.988 3.953 1.00 0.00 C ATOM 913 O HIS A 87 -17.617 10.119 4.538 1.00 0.00 O ATOM 914 CB HIS A 87 -15.561 9.114 3.080 1.00 0.00 C ATOM 915 CG HIS A 87 -14.523 8.634 2.117 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.310 8.120 2.518 1.00 0.00 N ATOM 917 CD2 HIS A 87 -14.523 8.582 0.763 1.00 0.00 C ATOM 918 CE1 HIS A 87 -12.607 7.774 1.456 1.00 0.00 C ATOM 919 NE2 HIS A 87 -13.320 8.043 0.378 1.00 0.00 N ATOM 0 H HIS A 87 -14.046 11.493 2.376 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.202 10.850 1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.234 8.887 4.095 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.484 8.559 2.911 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -13.003 8.022 3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -15.320 8.904 0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -11.616 7.344 1.467 1.00 0.00 H new ATOM 928 N ARG A 88 -17.196 12.288 4.123 1.00 0.00 N ATOM 929 CA ARG A 88 -18.234 12.775 5.028 1.00 0.00 C ATOM 930 C ARG A 88 -19.590 12.157 4.697 1.00 0.00 C ATOM 931 O ARG A 88 -20.477 12.092 5.549 1.00 0.00 O ATOM 932 CB ARG A 88 -18.326 14.301 4.956 1.00 0.00 C ATOM 933 CG ARG A 88 -16.990 15.002 5.147 1.00 0.00 C ATOM 934 CD ARG A 88 -16.884 15.637 6.525 1.00 0.00 C ATOM 935 NE ARG A 88 -16.187 16.920 6.484 1.00 0.00 N ATOM 936 CZ ARG A 88 -16.748 18.055 6.074 1.00 0.00 C ATOM 937 NH1 ARG A 88 -18.013 18.072 5.672 1.00 0.00 N ATOM 938 NH2 ARG A 88 -16.043 19.178 6.067 1.00 0.00 N ATOM 0 H ARG A 88 -16.673 13.023 3.647 1.00 0.00 H new ATOM 0 HA ARG A 88 -17.961 12.478 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -18.741 14.586 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -19.022 14.651 5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.180 14.285 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.868 15.769 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.883 15.780 6.936 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.357 14.959 7.197 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.214 16.948 6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -18.561 17.212 5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.437 18.945 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.071 19.172 6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.473 20.048 5.753 1.00 0.00 H new ATOM 952 N TYR A 89 -19.746 11.708 3.457 1.00 0.00 N ATOM 953 CA TYR A 89 -20.993 11.100 3.014 1.00 0.00 C ATOM 954 C TYR A 89 -21.190 9.718 3.631 1.00 0.00 C ATOM 955 O TYR A 89 -22.322 9.278 3.834 1.00 0.00 O ATOM 956 CB TYR A 89 -21.018 10.995 1.488 1.00 0.00 C ATOM 957 CG TYR A 89 -21.409 12.282 0.797 1.00 0.00 C ATOM 958 CD1 TYR A 89 -20.840 13.494 1.169 1.00 0.00 C ATOM 959 CD2 TYR A 89 -22.348 12.285 -0.227 1.00 0.00 C ATOM 960 CE1 TYR A 89 -21.196 14.672 0.540 1.00 0.00 C ATOM 961 CE2 TYR A 89 -22.708 13.459 -0.861 1.00 0.00 C ATOM 962 CZ TYR A 89 -22.130 14.649 -0.474 1.00 0.00 C ATOM 963 OH TYR A 89 -22.486 15.820 -1.103 1.00 0.00 O ATOM 0 H TYR A 89 -19.022 11.754 2.740 1.00 0.00 H new ATOM 0 HA TYR A 89 -21.810 11.740 3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -20.032 10.690 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -21.717 10.210 1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -20.108 13.516 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -22.804 11.355 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -20.745 15.606 0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -23.439 13.444 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 89 -23.154 15.630 -1.794 1.00 0.00 H new ATOM 973 N MET A 90 -20.088 9.028 3.918 1.00 0.00 N ATOM 974 CA MET A 90 -20.164 7.689 4.498 1.00 0.00 C ATOM 975 C MET A 90 -19.339 7.570 5.779 1.00 0.00 C ATOM 976 O MET A 90 -19.862 7.188 6.826 1.00 0.00 O ATOM 977 CB MET A 90 -19.700 6.643 3.482 1.00 0.00 C ATOM 978 CG MET A 90 -18.410 7.011 2.768 1.00 0.00 C ATOM 979 SD MET A 90 -18.228 6.168 1.184 1.00 0.00 S ATOM 980 CE MET A 90 -18.614 7.499 0.049 1.00 0.00 C ATOM 0 H MET A 90 -19.140 9.370 3.760 1.00 0.00 H new ATOM 0 HA MET A 90 -21.207 7.508 4.758 1.00 0.00 H new ATOM 0 HB2 MET A 90 -19.562 5.690 3.993 1.00 0.00 H new ATOM 0 HB3 MET A 90 -20.486 6.497 2.741 1.00 0.00 H new ATOM 0 HG2 MET A 90 -18.383 8.089 2.607 1.00 0.00 H new ATOM 0 HG3 MET A 90 -17.562 6.763 3.407 1.00 0.00 H new ATOM 0 HE1 MET A 90 -18.545 7.135 -0.976 1.00 0.00 H new ATOM 0 HE2 MET A 90 -19.626 7.857 0.239 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.907 8.316 0.192 1.00 0.00 H new ATOM 990 N THR A 91 -18.048 7.880 5.693 1.00 0.00 N ATOM 991 CA THR A 91 -17.166 7.783 6.854 1.00 0.00 C ATOM 992 C THR A 91 -16.294 9.025 7.004 1.00 0.00 C ATOM 993 O THR A 91 -15.682 9.487 6.043 1.00 0.00 O ATOM 994 CB THR A 91 -16.279 6.542 6.737 1.00 0.00 C ATOM 995 OG1 THR A 91 -15.492 6.376 7.903 1.00 0.00 O ATOM 996 CG2 THR A 91 -15.339 6.587 5.550 1.00 0.00 C ATOM 0 H THR A 91 -17.591 8.198 4.838 1.00 0.00 H new ATOM 0 HA THR A 91 -17.795 7.703 7.741 1.00 0.00 H new ATOM 0 HB THR A 91 -16.967 5.707 6.603 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.933 5.576 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 91 -14.739 5.677 5.526 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.918 6.664 4.630 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.682 7.452 5.639 1.00 0.00 H new ATOM 1004 N GLY A 92 -16.233 9.554 8.220 1.00 0.00 N ATOM 1005 CA GLY A 92 -15.423 10.730 8.477 1.00 0.00 C ATOM 1006 C GLY A 92 -16.144 11.763 9.303 1.00 0.00 C ATOM 1007 O GLY A 92 -16.015 11.782 10.527 1.00 0.00 O ATOM 0 H GLY A 92 -16.730 9.190 9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.510 10.432 8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.123 11.174 7.528 1.00 0.00 H new ATOM 1011 N ALA A 93 -16.919 12.603 8.624 1.00 0.00 N ATOM 1012 CA ALA A 93 -17.706 13.666 9.255 1.00 0.00 C ATOM 1013 C ALA A 93 -17.189 14.087 10.638 1.00 0.00 C ATOM 1014 O ALA A 93 -17.977 14.409 11.528 1.00 0.00 O ATOM 1015 CB ALA A 93 -19.137 13.187 9.365 1.00 0.00 C ATOM 0 H ALA A 93 -17.022 12.567 7.610 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.623 14.553 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -19.745 13.962 9.832 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -19.526 12.971 8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -19.172 12.282 9.972 1.00 0.00 H new ATOM 1021 N SER A 94 -15.870 14.084 10.814 1.00 0.00 N ATOM 1022 CA SER A 94 -15.269 14.466 12.087 1.00 0.00 C ATOM 1023 C SER A 94 -13.958 15.216 11.868 1.00 0.00 C ATOM 1024 O SER A 94 -13.650 15.635 10.752 1.00 0.00 O ATOM 1025 CB SER A 94 -15.023 13.226 12.949 1.00 0.00 C ATOM 1026 OG SER A 94 -16.151 12.368 12.942 1.00 0.00 O ATOM 0 H SER A 94 -15.199 13.822 10.092 1.00 0.00 H new ATOM 0 HA SER A 94 -15.963 15.129 12.604 1.00 0.00 H new ATOM 0 HB2 SER A 94 -14.151 12.688 12.577 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.799 13.529 13.972 1.00 0.00 H new ATOM 0 HG SER A 94 -16.029 11.673 12.262 1.00 0.00 H new ATOM 1032 N GLY A 95 -13.191 15.382 12.940 1.00 0.00 N ATOM 1033 CA GLY A 95 -11.923 16.082 12.845 1.00 0.00 C ATOM 1034 C GLY A 95 -10.920 15.354 11.972 1.00 0.00 C ATOM 1035 O GLY A 95 -10.247 14.428 12.426 1.00 0.00 O ATOM 0 H GLY A 95 -13.425 15.044 13.874 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.093 17.081 12.442 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.506 16.208 13.844 1.00 0.00 H new ATOM 1039 N ILE A 96 -10.821 15.773 10.715 1.00 0.00 N ATOM 1040 CA ILE A 96 -9.893 15.157 9.774 1.00 0.00 C ATOM 1041 C ILE A 96 -8.687 16.057 9.525 1.00 0.00 C ATOM 1042 O ILE A 96 -8.561 17.123 10.127 1.00 0.00 O ATOM 1043 CB ILE A 96 -10.579 14.853 8.428 1.00 0.00 C ATOM 1044 CG1 ILE A 96 -11.183 16.128 7.838 1.00 0.00 C ATOM 1045 CG2 ILE A 96 -11.649 13.787 8.608 1.00 0.00 C ATOM 1046 CD1 ILE A 96 -11.649 15.968 6.407 1.00 0.00 C ATOM 0 H ILE A 96 -11.372 16.537 10.324 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.559 14.222 10.223 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.830 14.474 7.733 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -12.026 16.440 8.454 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -10.442 16.926 7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -12.125 13.583 7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.192 12.873 8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -12.398 14.140 9.317 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.066 16.911 6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.804 15.686 5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -12.413 15.192 6.358 1.00 0.00 H new ATOM 1058 N ASN A 97 -7.801 15.621 8.632 1.00 0.00 N ATOM 1059 CA ASN A 97 -6.603 16.387 8.301 1.00 0.00 C ATOM 1060 C ASN A 97 -6.949 17.844 7.995 1.00 0.00 C ATOM 1061 O ASN A 97 -8.115 18.184 7.798 1.00 0.00 O ATOM 1062 CB ASN A 97 -5.889 15.761 7.102 1.00 0.00 C ATOM 1063 CG ASN A 97 -6.803 15.610 5.902 1.00 0.00 C ATOM 1064 OD1 ASN A 97 -7.083 16.720 5.228 1.00 0.00 O flip ATOM 1065 ND2 ASN A 97 -7.252 14.509 5.583 1.00 0.00 N flip ATOM 0 H ASN A 97 -7.891 14.741 8.125 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.940 16.365 9.166 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.033 16.378 6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.499 14.783 7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.011 13.682 6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.865 14.424 4.772 1.00 0.00 H new ATOM 1072 N PRO A 98 -5.936 18.726 7.955 1.00 0.00 N ATOM 1073 CA PRO A 98 -6.134 20.154 7.677 1.00 0.00 C ATOM 1074 C PRO A 98 -6.536 20.419 6.226 1.00 0.00 C ATOM 1075 O PRO A 98 -5.882 21.190 5.523 1.00 0.00 O ATOM 1076 CB PRO A 98 -4.760 20.781 7.974 1.00 0.00 C ATOM 1077 CG PRO A 98 -3.973 19.721 8.671 1.00 0.00 C ATOM 1078 CD PRO A 98 -4.521 18.412 8.185 1.00 0.00 C ATOM 0 HA PRO A 98 -6.944 20.569 8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.266 21.094 7.054 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -4.862 21.668 8.599 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.911 19.809 8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -4.073 19.808 9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -4.026 18.078 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -4.396 17.620 8.924 1.00 0.00 H new ATOM 1086 N GLY A 99 -7.619 19.784 5.784 1.00 0.00 N ATOM 1087 CA GLY A 99 -8.091 19.972 4.423 1.00 0.00 C ATOM 1088 C GLY A 99 -7.015 19.716 3.383 1.00 0.00 C ATOM 1089 O GLY A 99 -6.135 20.550 3.171 1.00 0.00 O ATOM 0 H GLY A 99 -8.178 19.142 6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.932 19.303 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.463 20.990 4.310 1.00 0.00 H new ATOM 1093 N MET A 100 -7.090 18.562 2.729 1.00 0.00 N ATOM 1094 CA MET A 100 -6.119 18.200 1.702 1.00 0.00 C ATOM 1095 C MET A 100 -6.825 17.783 0.415 1.00 0.00 C ATOM 1096 O MET A 100 -8.047 17.639 0.388 1.00 0.00 O ATOM 1097 CB MET A 100 -5.221 17.066 2.197 1.00 0.00 C ATOM 1098 CG MET A 100 -5.990 15.828 2.631 1.00 0.00 C ATOM 1099 SD MET A 100 -5.646 14.393 1.594 1.00 0.00 S ATOM 1100 CE MET A 100 -7.183 14.255 0.686 1.00 0.00 C ATOM 0 H MET A 100 -7.813 17.861 2.892 1.00 0.00 H new ATOM 0 HA MET A 100 -5.503 19.074 1.492 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.525 16.792 1.404 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.624 17.426 3.035 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.737 15.593 3.665 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.059 16.042 2.605 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.002 13.747 -0.261 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.902 13.683 1.272 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.582 15.251 0.493 1.00 0.00 H new ATOM 1110 N LEU A 101 -6.051 17.592 -0.649 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.615 17.192 -1.933 1.00 0.00 C ATOM 1112 C LEU A 101 -6.811 15.678 -1.998 1.00 0.00 C ATOM 1113 O LEU A 101 -5.917 14.913 -1.637 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.715 17.648 -3.081 1.00 0.00 C ATOM 1115 CG LEU A 101 -5.429 19.152 -3.125 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -3.956 19.411 -3.403 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -6.297 19.830 -4.174 1.00 0.00 C ATOM 0 H LEU A 101 -5.038 17.707 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.588 17.672 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.766 17.116 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.177 17.354 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.673 19.575 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.774 20.485 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.352 18.961 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.684 18.973 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.080 20.898 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.086 19.401 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.348 19.677 -3.930 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.991 15.223 -2.459 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.302 13.792 -2.564 1.00 0.00 C ATOM 1131 C PRO A 102 -7.298 13.030 -3.425 1.00 0.00 C ATOM 1132 O PRO A 102 -7.148 11.816 -3.288 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.686 13.770 -3.222 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.271 15.109 -2.938 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.114 16.066 -2.907 1.00 0.00 C ATOM 0 HA PRO A 102 -8.267 13.305 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.610 13.592 -4.295 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.306 12.973 -2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.991 15.391 -3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.803 15.109 -1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.925 16.501 -3.889 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.295 16.894 -2.221 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.620 13.741 -4.318 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.642 13.116 -5.203 1.00 0.00 C ATOM 1145 C HIS A 103 -4.300 12.896 -4.501 1.00 0.00 C ATOM 1146 O HIS A 103 -3.413 12.235 -5.040 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.453 13.961 -6.468 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.488 15.098 -6.306 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.136 15.110 -6.236 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -4.887 16.414 -6.190 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -2.748 16.418 -6.081 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -3.823 17.185 -6.057 1.00 0.00 N flip ATOM 0 H HIS A 103 -6.728 14.747 -4.449 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.029 12.137 -5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.105 13.316 -7.275 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.420 14.360 -6.773 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.520 14.299 -6.289 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.910 16.760 -6.206 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.729 16.764 -5.993 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.152 13.450 -3.301 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.914 13.300 -2.545 1.00 0.00 C ATOM 1163 C GLU A 104 -2.770 11.876 -2.020 1.00 0.00 C ATOM 1164 O GLU A 104 -1.663 11.348 -1.920 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.877 14.291 -1.379 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.431 15.687 -1.781 1.00 0.00 C ATOM 1167 CD GLU A 104 -2.292 16.619 -0.593 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -1.284 16.505 0.136 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -3.191 17.462 -0.392 1.00 0.00 O ATOM 0 H GLU A 104 -4.870 14.004 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.081 13.510 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.869 14.350 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.204 13.911 -0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.476 15.623 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.150 16.106 -2.485 1.00 0.00 H new ATOM 1176 N ASN A 105 -3.899 11.260 -1.685 1.00 0.00 N ATOM 1177 CA ASN A 105 -3.903 9.896 -1.167 1.00 0.00 C ATOM 1178 C ASN A 105 -3.756 8.877 -2.293 1.00 0.00 C ATOM 1179 O ASN A 105 -2.973 7.933 -2.189 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.193 9.628 -0.389 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.432 10.035 -1.161 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -6.837 9.360 -2.108 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.042 11.144 -0.760 1.00 0.00 N ATOM 0 H ASN A 105 -4.824 11.684 -1.763 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.050 9.791 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.253 8.567 -0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.163 10.171 0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.881 11.467 -1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.672 11.673 0.030 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.520 9.066 -3.365 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.478 8.154 -4.503 1.00 0.00 C ATOM 1192 C VAL A 106 -3.072 8.059 -5.090 1.00 0.00 C ATOM 1193 O VAL A 106 -2.577 6.965 -5.364 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.464 8.582 -5.610 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -6.870 8.726 -5.048 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.016 9.879 -6.269 1.00 0.00 C ATOM 0 H VAL A 106 -5.175 9.841 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.773 7.174 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.474 7.802 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.551 9.028 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.196 7.772 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.872 9.481 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.729 10.158 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.967 10.670 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.031 9.740 -6.714 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.434 9.209 -5.283 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.087 9.250 -5.840 1.00 0.00 C ATOM 1208 C ASP A 107 -0.104 8.516 -4.933 1.00 0.00 C ATOM 1209 O ASP A 107 0.757 7.773 -5.405 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.638 10.699 -6.038 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.748 11.145 -7.483 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -1.863 11.514 -7.907 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.281 11.124 -8.190 1.00 0.00 O ATOM 0 H ASP A 107 -2.828 10.124 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.103 8.749 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.244 11.353 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.394 10.805 -5.705 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.239 8.730 -3.629 1.00 0.00 N ATOM 1219 CA ASP A 108 0.636 8.090 -2.656 1.00 0.00 C ATOM 1220 C ASP A 108 0.283 6.615 -2.492 1.00 0.00 C ATOM 1221 O ASP A 108 1.146 5.792 -2.183 1.00 0.00 O ATOM 1222 CB ASP A 108 0.538 8.805 -1.307 1.00 0.00 C ATOM 1223 CG ASP A 108 1.492 9.978 -1.204 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.503 9.989 -1.937 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.228 10.888 -0.389 1.00 0.00 O ATOM 0 H ASP A 108 -0.946 9.342 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 108 1.660 8.159 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.483 9.157 -1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.751 8.096 -0.507 1.00 0.00 H new ATOM 1230 N MET A 109 -0.988 6.284 -2.703 1.00 0.00 N ATOM 1231 CA MET A 109 -1.446 4.905 -2.580 1.00 0.00 C ATOM 1232 C MET A 109 -0.871 4.046 -3.700 1.00 0.00 C ATOM 1233 O MET A 109 -0.209 3.039 -3.447 1.00 0.00 O ATOM 1234 CB MET A 109 -2.974 4.847 -2.603 1.00 0.00 C ATOM 1235 CG MET A 109 -3.583 4.421 -1.276 1.00 0.00 C ATOM 1236 SD MET A 109 -4.658 5.681 -0.567 1.00 0.00 S ATOM 1237 CE MET A 109 -6.053 5.596 -1.685 1.00 0.00 C ATOM 0 H MET A 109 -1.717 6.950 -2.959 1.00 0.00 H new ATOM 0 HA MET A 109 -1.094 4.512 -1.626 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.363 5.828 -2.874 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.292 4.152 -3.380 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.153 3.503 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.784 4.193 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.017 6.438 -2.377 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.013 4.663 -2.247 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.980 5.636 -1.113 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.125 4.453 -4.940 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.628 3.724 -6.101 1.00 0.00 C ATOM 1249 C ARG A 110 0.879 3.510 -5.998 1.00 0.00 C ATOM 1250 O ARG A 110 1.409 2.511 -6.481 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.962 4.480 -7.389 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.437 5.906 -7.411 1.00 0.00 C ATOM 1253 CD ARG A 110 0.021 6.310 -8.803 1.00 0.00 C ATOM 1254 NE ARG A 110 1.461 6.137 -8.977 1.00 0.00 N ATOM 1255 CZ ARG A 110 2.152 6.655 -9.991 1.00 0.00 C ATOM 1256 NH1 ARG A 110 1.539 7.377 -10.920 1.00 0.00 N ATOM 1257 NH2 ARG A 110 3.459 6.449 -10.075 1.00 0.00 N ATOM 0 H ARG A 110 -1.672 5.284 -5.166 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.117 2.750 -6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.547 3.936 -8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.044 4.498 -7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.217 6.587 -7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.394 6.000 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.508 5.713 -9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.243 7.352 -8.984 1.00 0.00 H new ATOM 0 HE ARG A 110 1.967 5.588 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.534 7.538 -10.860 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.073 7.771 -11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.935 5.894 -9.363 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.989 6.845 -10.851 1.00 0.00 H new ATOM 1271 N SER A 111 1.560 4.454 -5.355 1.00 0.00 N ATOM 1272 CA SER A 111 3.003 4.364 -5.177 1.00 0.00 C ATOM 1273 C SER A 111 3.358 3.172 -4.297 1.00 0.00 C ATOM 1274 O SER A 111 4.375 2.510 -4.507 1.00 0.00 O ATOM 1275 CB SER A 111 3.545 5.654 -4.557 1.00 0.00 C ATOM 1276 OG SER A 111 3.766 6.643 -5.547 1.00 0.00 O ATOM 0 H SER A 111 1.135 5.288 -4.950 1.00 0.00 H new ATOM 0 HA SER A 111 3.462 4.225 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.840 6.029 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.478 5.445 -4.033 1.00 0.00 H new ATOM 0 HG SER A 111 2.936 7.141 -5.703 1.00 0.00 H new ATOM 1282 N ALA A 112 2.506 2.898 -3.313 1.00 0.00 N ATOM 1283 CA ALA A 112 2.724 1.780 -2.405 1.00 0.00 C ATOM 1284 C ALA A 112 2.711 0.459 -3.164 1.00 0.00 C ATOM 1285 O ALA A 112 3.574 -0.395 -2.958 1.00 0.00 O ATOM 1286 CB ALA A 112 1.667 1.771 -1.310 1.00 0.00 C ATOM 0 H ALA A 112 1.659 3.435 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 112 3.704 1.901 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.844 0.930 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.720 2.702 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.679 1.675 -1.759 1.00 0.00 H new ATOM 1292 N ILE A 113 1.729 0.298 -4.046 1.00 0.00 N ATOM 1293 CA ILE A 113 1.611 -0.920 -4.836 1.00 0.00 C ATOM 1294 C ILE A 113 2.832 -1.105 -5.733 1.00 0.00 C ATOM 1295 O ILE A 113 3.206 -2.229 -6.064 1.00 0.00 O ATOM 1296 CB ILE A 113 0.318 -0.920 -5.690 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.292 -2.322 -5.724 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.586 -0.421 -7.106 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.285 -2.575 -4.610 1.00 0.00 C ATOM 0 H ILE A 113 1.006 0.994 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 113 1.557 -1.756 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.392 -0.235 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.788 -2.471 -6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.508 -3.060 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.342 -0.434 -7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.973 0.597 -7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.318 -1.069 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.678 -3.588 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.789 -2.459 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.105 -1.861 -4.684 1.00 0.00 H new ATOM 1311 N THR A 114 3.455 0.005 -6.117 1.00 0.00 N ATOM 1312 CA THR A 114 4.638 -0.043 -6.967 1.00 0.00 C ATOM 1313 C THR A 114 5.755 -0.811 -6.270 1.00 0.00 C ATOM 1314 O THR A 114 6.513 -1.544 -6.907 1.00 0.00 O ATOM 1315 CB THR A 114 5.108 1.371 -7.311 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.078 2.098 -7.956 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.322 1.395 -8.213 1.00 0.00 C ATOM 0 H THR A 114 3.161 0.946 -5.854 1.00 0.00 H new ATOM 0 HA THR A 114 4.379 -0.558 -7.892 1.00 0.00 H new ATOM 0 HB THR A 114 5.376 1.827 -6.358 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.338 2.242 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.603 2.428 -8.418 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.150 0.884 -7.722 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.089 0.890 -9.150 1.00 0.00 H new ATOM 1325 N ASP A 115 5.842 -0.642 -4.955 1.00 0.00 N ATOM 1326 CA ASP A 115 6.856 -1.324 -4.161 1.00 0.00 C ATOM 1327 C ASP A 115 6.377 -2.718 -3.770 1.00 0.00 C ATOM 1328 O ASP A 115 7.129 -3.689 -3.849 1.00 0.00 O ATOM 1329 CB ASP A 115 7.185 -0.512 -2.906 1.00 0.00 C ATOM 1330 CG ASP A 115 8.666 -0.525 -2.582 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.301 -1.588 -2.747 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.191 0.528 -2.162 1.00 0.00 O ATOM 0 H ASP A 115 5.221 -0.038 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 115 7.759 -1.420 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.855 0.518 -3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.627 -0.913 -2.060 1.00 0.00 H new ATOM 1337 N TRP A 116 5.116 -2.809 -3.356 1.00 0.00 N ATOM 1338 CA TRP A 116 4.532 -4.086 -2.962 1.00 0.00 C ATOM 1339 C TRP A 116 4.456 -5.030 -4.157 1.00 0.00 C ATOM 1340 O TRP A 116 4.905 -6.174 -4.087 1.00 0.00 O ATOM 1341 CB TRP A 116 3.136 -3.874 -2.373 1.00 0.00 C ATOM 1342 CG TRP A 116 3.155 -3.457 -0.934 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.008 -2.191 -0.446 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.333 -4.309 0.203 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.082 -2.203 0.926 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.282 -3.491 1.348 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.530 -5.683 0.366 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.421 -4.003 2.636 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.668 -6.190 1.644 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.612 -5.352 2.765 1.00 0.00 C ATOM 0 H TRP A 116 4.480 -2.014 -3.285 1.00 0.00 H new ATOM 0 HA TRP A 116 5.171 -4.535 -2.202 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.615 -3.115 -2.957 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.565 -4.798 -2.469 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.856 -1.309 -1.050 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.001 -1.386 1.532 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.574 -6.337 -0.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.380 -3.359 3.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.822 -7.250 1.781 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.722 -5.779 3.751 1.00 0.00 H new ATOM 1361 N SER A 117 3.894 -4.537 -5.257 1.00 0.00 N ATOM 1362 CA SER A 117 3.768 -5.330 -6.474 1.00 0.00 C ATOM 1363 C SER A 117 5.138 -5.817 -6.932 1.00 0.00 C ATOM 1364 O SER A 117 5.339 -7.008 -7.176 1.00 0.00 O ATOM 1365 CB SER A 117 3.109 -4.505 -7.582 1.00 0.00 C ATOM 1366 OG SER A 117 2.626 -5.340 -8.621 1.00 0.00 O ATOM 0 H SER A 117 3.519 -3.591 -5.330 1.00 0.00 H new ATOM 0 HA SER A 117 3.140 -6.195 -6.259 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.286 -3.923 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.829 -3.794 -7.987 1.00 0.00 H new ATOM 0 HG SER A 117 2.208 -4.789 -9.316 1.00 0.00 H new ATOM 1372 N ASP A 118 6.083 -4.886 -7.030 1.00 0.00 N ATOM 1373 CA ASP A 118 7.442 -5.218 -7.440 1.00 0.00 C ATOM 1374 C ASP A 118 8.033 -6.265 -6.504 1.00 0.00 C ATOM 1375 O ASP A 118 8.851 -7.090 -6.913 1.00 0.00 O ATOM 1376 CB ASP A 118 8.318 -3.963 -7.442 1.00 0.00 C ATOM 1377 CG ASP A 118 9.676 -4.207 -8.071 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.429 -5.055 -7.547 1.00 0.00 O ATOM 1379 OD2 ASP A 118 9.986 -3.551 -9.087 1.00 0.00 O ATOM 0 H ASP A 118 5.932 -3.897 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 118 7.410 -5.625 -8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.807 -3.167 -7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.452 -3.615 -6.418 1.00 0.00 H new ATOM 1384 N MET A 119 7.603 -6.228 -5.247 1.00 0.00 N ATOM 1385 CA MET A 119 8.076 -7.176 -4.248 1.00 0.00 C ATOM 1386 C MET A 119 7.522 -8.567 -4.529 1.00 0.00 C ATOM 1387 O MET A 119 8.219 -9.566 -4.371 1.00 0.00 O ATOM 1388 CB MET A 119 7.662 -6.723 -2.847 1.00 0.00 C ATOM 1389 CG MET A 119 8.656 -7.107 -1.764 1.00 0.00 C ATOM 1390 SD MET A 119 8.437 -6.150 -0.252 1.00 0.00 S ATOM 1391 CE MET A 119 10.077 -6.259 0.457 1.00 0.00 C ATOM 0 H MET A 119 6.926 -5.550 -4.897 1.00 0.00 H new ATOM 0 HA MET A 119 9.164 -7.215 -4.300 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.538 -5.640 -2.847 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.691 -7.156 -2.607 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.549 -8.168 -1.537 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.669 -6.962 -2.138 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.202 -5.478 1.206 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.207 -7.235 0.925 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.822 -6.131 -0.328 1.00 0.00 H new ATOM 1401 N ARG A 120 6.264 -8.624 -4.955 1.00 0.00 N ATOM 1402 CA ARG A 120 5.621 -9.896 -5.265 1.00 0.00 C ATOM 1403 C ARG A 120 6.487 -10.721 -6.212 1.00 0.00 C ATOM 1404 O ARG A 120 6.622 -11.934 -6.051 1.00 0.00 O ATOM 1405 CB ARG A 120 4.242 -9.656 -5.887 1.00 0.00 C ATOM 1406 CG ARG A 120 3.120 -10.404 -5.185 1.00 0.00 C ATOM 1407 CD ARG A 120 2.014 -9.463 -4.731 1.00 0.00 C ATOM 1408 NE ARG A 120 0.687 -9.991 -5.035 1.00 0.00 N ATOM 1409 CZ ARG A 120 -0.417 -9.247 -5.070 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.355 -7.945 -4.821 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -1.584 -9.807 -5.356 1.00 0.00 N ATOM 0 H ARG A 120 5.671 -7.806 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 120 5.498 -10.453 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.024 -8.588 -5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.268 -9.956 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 120 2.706 -11.154 -5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.521 -10.937 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.100 -9.294 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.139 -8.495 -5.217 1.00 0.00 H new ATOM 0 HE ARG A 120 0.601 -10.988 -5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.541 -7.510 -4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.203 -7.379 -4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -1.636 -10.807 -5.549 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -2.430 -9.238 -5.383 1.00 0.00 H new ATOM 1425 N GLU A 121 7.077 -10.051 -7.198 1.00 0.00 N ATOM 1426 CA GLU A 121 7.935 -10.718 -8.170 1.00 0.00 C ATOM 1427 C GLU A 121 9.351 -10.886 -7.623 1.00 0.00 C ATOM 1428 O GLU A 121 9.977 -11.929 -7.807 1.00 0.00 O ATOM 1429 CB GLU A 121 7.972 -9.925 -9.478 1.00 0.00 C ATOM 1430 CG GLU A 121 6.724 -10.098 -10.329 1.00 0.00 C ATOM 1431 CD GLU A 121 5.820 -8.882 -10.293 1.00 0.00 C ATOM 1432 OE1 GLU A 121 6.343 -7.757 -10.145 1.00 0.00 O ATOM 1433 OE2 GLU A 121 4.588 -9.054 -10.412 1.00 0.00 O ATOM 0 H GLU A 121 6.976 -9.047 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 121 7.520 -11.707 -8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.102 -8.867 -9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.842 -10.235 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.017 -10.298 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.169 -10.969 -9.980 1.00 0.00 H new ATOM 1440 N ALA A 122 9.849 -9.853 -6.950 1.00 0.00 N ATOM 1441 CA ALA A 122 11.190 -9.887 -6.378 1.00 0.00 C ATOM 1442 C ALA A 122 11.281 -10.908 -5.249 1.00 0.00 C ATOM 1443 O ALA A 122 12.078 -11.845 -5.308 1.00 0.00 O ATOM 1444 CB ALA A 122 11.585 -8.507 -5.876 1.00 0.00 C ATOM 0 H ALA A 122 9.344 -8.982 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 122 11.884 -10.189 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.588 -8.548 -5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.570 -7.800 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.880 -8.183 -5.110 1.00 0.00 H new ATOM 1450 N LEU A 123 10.458 -10.721 -4.222 1.00 0.00 N ATOM 1451 CA LEU A 123 10.440 -11.623 -3.075 1.00 0.00 C ATOM 1452 C LEU A 123 10.280 -13.073 -3.522 1.00 0.00 C ATOM 1453 O LEU A 123 10.985 -13.961 -3.043 1.00 0.00 O ATOM 1454 CB LEU A 123 9.304 -11.240 -2.120 1.00 0.00 C ATOM 1455 CG LEU A 123 9.699 -11.147 -0.645 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.827 -10.144 -0.457 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.495 -10.764 0.204 1.00 0.00 C ATOM 0 H LEU A 123 9.793 -9.950 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 123 11.393 -11.529 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.897 -10.278 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.504 -11.973 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 123 10.053 -12.125 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.095 -10.091 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.695 -10.460 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.501 -9.161 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.793 -10.702 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.113 -9.797 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.716 -11.518 0.092 1.00 0.00 H new ATOM 1469 N GLN A 124 9.351 -13.305 -4.444 1.00 0.00 N ATOM 1470 CA GLN A 124 9.101 -14.647 -4.956 1.00 0.00 C ATOM 1471 C GLN A 124 10.346 -15.214 -5.629 1.00 0.00 C ATOM 1472 O GLN A 124 10.742 -16.351 -5.369 1.00 0.00 O ATOM 1473 CB GLN A 124 7.935 -14.630 -5.946 1.00 0.00 C ATOM 1474 CG GLN A 124 6.576 -14.794 -5.286 1.00 0.00 C ATOM 1475 CD GLN A 124 5.485 -15.147 -6.279 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.291 -16.315 -6.615 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.767 -14.136 -6.753 1.00 0.00 N ATOM 0 H GLN A 124 8.759 -12.581 -4.852 1.00 0.00 H new ATOM 0 HA GLN A 124 8.843 -15.287 -4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.951 -13.690 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.075 -15.429 -6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.637 -15.573 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.311 -13.869 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.963 -13.183 -6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.019 -14.312 -7.424 1.00 0.00 H new ATOM 1486 N HIS A 125 10.960 -14.416 -6.496 1.00 0.00 N ATOM 1487 CA HIS A 125 12.161 -14.840 -7.207 1.00 0.00 C ATOM 1488 C HIS A 125 13.305 -15.106 -6.234 1.00 0.00 C ATOM 1489 O HIS A 125 14.039 -16.084 -6.375 1.00 0.00 O ATOM 1490 CB HIS A 125 12.579 -13.779 -8.226 1.00 0.00 C ATOM 1491 CG HIS A 125 13.549 -14.282 -9.250 1.00 0.00 C ATOM 1492 ND1 HIS A 125 14.910 -14.338 -9.035 1.00 0.00 N ATOM 1493 CD2 HIS A 125 13.348 -14.756 -10.503 1.00 0.00 C ATOM 1494 CE1 HIS A 125 15.504 -14.824 -10.111 1.00 0.00 C ATOM 1495 NE2 HIS A 125 14.578 -15.085 -11.015 1.00 0.00 N ATOM 0 H HIS A 125 10.646 -13.472 -6.723 1.00 0.00 H new ATOM 0 HA HIS A 125 11.932 -15.767 -7.732 1.00 0.00 H new ATOM 0 HB2 HIS A 125 11.690 -13.404 -8.733 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.025 -12.936 -7.698 1.00 0.00 H new ATOM 0 HD2 HIS A 125 12.397 -14.856 -11.005 1.00 0.00 H new ATOM 0 HE1 HIS A 125 16.566 -14.981 -10.230 1.00 0.00 H new ATOM 0 HE2 HIS A 125 14.749 -15.469 -11.944 1.00 0.00 H new ATOM 1504 N ALA A 126 13.453 -14.228 -5.246 1.00 0.00 N ATOM 1505 CA ALA A 126 14.508 -14.368 -4.251 1.00 0.00 C ATOM 1506 C ALA A 126 14.256 -15.570 -3.347 1.00 0.00 C ATOM 1507 O ALA A 126 15.189 -16.273 -2.957 1.00 0.00 O ATOM 1508 CB ALA A 126 14.624 -13.097 -3.423 1.00 0.00 C ATOM 0 H ALA A 126 12.855 -13.412 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 126 15.449 -14.534 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.416 -13.216 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.860 -12.257 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.679 -12.906 -2.915 1.00 0.00 H new ATOM 1514 N MET A 127 12.989 -15.802 -3.017 1.00 0.00 N ATOM 1515 CA MET A 127 12.615 -16.920 -2.158 1.00 0.00 C ATOM 1516 C MET A 127 13.043 -18.247 -2.775 1.00 0.00 C ATOM 1517 O MET A 127 13.425 -19.178 -2.066 1.00 0.00 O ATOM 1518 CB MET A 127 11.105 -16.922 -1.914 1.00 0.00 C ATOM 1519 CG MET A 127 10.712 -17.422 -0.533 1.00 0.00 C ATOM 1520 SD MET A 127 9.022 -18.047 -0.475 1.00 0.00 S ATOM 1521 CE MET A 127 8.100 -16.517 -0.343 1.00 0.00 C ATOM 0 H MET A 127 12.205 -15.231 -3.331 1.00 0.00 H new ATOM 0 HA MET A 127 13.129 -16.800 -1.205 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.723 -15.910 -2.047 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.624 -17.546 -2.667 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.398 -18.212 -0.228 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.820 -16.611 0.187 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.112 -16.722 0.069 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.631 -15.828 0.314 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.995 -16.069 -1.331 1.00 0.00 H new ATOM 1531 N GLY A 128 12.977 -18.327 -4.099 1.00 0.00 N ATOM 1532 CA GLY A 128 13.361 -19.545 -4.788 1.00 0.00 C ATOM 1533 C GLY A 128 12.422 -19.894 -5.926 1.00 0.00 C ATOM 1534 O GLY A 128 12.054 -21.055 -6.101 1.00 0.00 O ATOM 0 H GLY A 128 12.665 -17.570 -4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.373 -19.433 -5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.384 -20.369 -4.075 1.00 0.00 H new ATOM 1538 N ILE A 129 12.035 -18.888 -6.704 1.00 0.00 N ATOM 1539 CA ILE A 129 11.135 -19.097 -7.831 1.00 0.00 C ATOM 1540 C ILE A 129 11.666 -18.419 -9.090 1.00 0.00 C ATOM 1541 O ILE A 129 12.477 -17.497 -9.014 1.00 0.00 O ATOM 1542 CB ILE A 129 9.721 -18.564 -7.531 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.226 -19.094 -6.183 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.759 -18.955 -8.644 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.139 -18.245 -5.562 1.00 0.00 C ATOM 0 H ILE A 129 12.331 -17.921 -6.574 1.00 0.00 H new ATOM 0 HA ILE A 129 11.080 -20.173 -7.995 1.00 0.00 H new ATOM 0 HB ILE A 129 9.764 -17.476 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.851 -20.109 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.068 -19.153 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.764 -18.571 -8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.104 -18.533 -9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.719 -20.041 -8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.837 -18.680 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.516 -17.236 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.280 -18.206 -6.232 1.00 0.00 H new ATOM 1557 N HIS A 130 11.203 -18.883 -10.246 1.00 0.00 N ATOM 1558 CA HIS A 130 11.631 -18.320 -11.521 1.00 0.00 C ATOM 1559 C HIS A 130 10.430 -17.977 -12.396 1.00 0.00 C ATOM 1560 O HIS A 130 9.623 -18.845 -12.729 1.00 0.00 O ATOM 1561 CB HIS A 130 12.546 -19.303 -12.254 1.00 0.00 C ATOM 1562 CG HIS A 130 13.768 -19.678 -11.474 1.00 0.00 C ATOM 1563 ND1 HIS A 130 14.307 -20.948 -11.482 1.00 0.00 N ATOM 1564 CD2 HIS A 130 14.559 -18.941 -10.658 1.00 0.00 C ATOM 1565 CE1 HIS A 130 15.375 -20.975 -10.705 1.00 0.00 C ATOM 1566 NE2 HIS A 130 15.549 -19.771 -10.194 1.00 0.00 N ATOM 0 H HIS A 130 10.532 -19.647 -10.326 1.00 0.00 H new ATOM 0 HA HIS A 130 12.183 -17.402 -11.317 1.00 0.00 H new ATOM 0 HB2 HIS A 130 11.982 -20.206 -12.488 1.00 0.00 H new ATOM 0 HB3 HIS A 130 12.852 -18.864 -13.204 1.00 0.00 H new ATOM 0 HD2 HIS A 130 14.434 -17.896 -10.417 1.00 0.00 H new ATOM 0 HE1 HIS A 130 16.000 -21.836 -10.520 1.00 0.00 H new ATOM 0 HE2 HIS A 130 16.298 -19.501 -9.557 1.00 0.00 H new ATOM 1575 N ALA A 131 10.318 -16.705 -12.766 1.00 0.00 N ATOM 1576 CA ALA A 131 9.216 -16.246 -13.602 1.00 0.00 C ATOM 1577 C ALA A 131 9.732 -15.611 -14.889 1.00 0.00 C ATOM 1578 O ALA A 131 10.830 -15.055 -14.922 1.00 0.00 O ATOM 1579 CB ALA A 131 8.348 -15.259 -12.836 1.00 0.00 C ATOM 0 H ALA A 131 10.978 -15.974 -12.499 1.00 0.00 H new ATOM 0 HA ALA A 131 8.611 -17.112 -13.871 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.529 -14.924 -13.473 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.943 -15.744 -11.948 1.00 0.00 H new ATOM 0 HB3 ALA A 131 8.950 -14.400 -12.538 1.00 0.00 H new ATOM 1585 N ASP A 132 8.934 -15.698 -15.948 1.00 0.00 N ATOM 1586 CA ASP A 132 9.311 -15.132 -17.238 1.00 0.00 C ATOM 1587 C ASP A 132 8.078 -14.692 -18.021 1.00 0.00 C ATOM 1588 O ASP A 132 7.479 -15.482 -18.751 1.00 0.00 O ATOM 1589 CB ASP A 132 10.110 -16.152 -18.052 1.00 0.00 C ATOM 1590 CG ASP A 132 11.284 -16.717 -17.278 1.00 0.00 C ATOM 1591 OD1 ASP A 132 12.363 -16.087 -17.291 1.00 0.00 O ATOM 1592 OD2 ASP A 132 11.126 -17.790 -16.658 1.00 0.00 O ATOM 0 H ASP A 132 8.022 -16.155 -15.938 1.00 0.00 H new ATOM 0 HA ASP A 132 9.933 -14.256 -17.054 1.00 0.00 H new ATOM 0 HB2 ASP A 132 9.452 -16.967 -18.355 1.00 0.00 H new ATOM 0 HB3 ASP A 132 10.473 -15.680 -18.965 1.00 0.00 H new ATOM 1597 N ILE A 133 7.706 -13.426 -17.865 1.00 0.00 N ATOM 1598 CA ILE A 133 6.545 -12.880 -18.557 1.00 0.00 C ATOM 1599 C ILE A 133 6.954 -11.784 -19.535 1.00 0.00 C ATOM 1600 O ILE A 133 6.892 -12.029 -20.758 1.00 0.00 O ATOM 1601 CB ILE A 133 5.515 -12.307 -17.564 1.00 0.00 C ATOM 1602 CG1 ILE A 133 5.233 -13.317 -16.450 1.00 0.00 C ATOM 1603 CG2 ILE A 133 4.230 -11.936 -18.289 1.00 0.00 C ATOM 1604 CD1 ILE A 133 6.167 -13.187 -15.266 1.00 0.00 C ATOM 0 H ILE A 133 8.192 -12.759 -17.265 1.00 0.00 H new ATOM 0 HA ILE A 133 6.089 -13.704 -19.106 1.00 0.00 H new ATOM 0 HB ILE A 133 5.928 -11.404 -17.114 1.00 0.00 H new ATOM 0 HG12 ILE A 133 4.206 -13.191 -16.108 1.00 0.00 H new ATOM 0 HG13 ILE A 133 5.312 -14.325 -16.856 1.00 0.00 H new ATOM 0 HG21 ILE A 133 3.512 -11.533 -17.574 1.00 0.00 H new ATOM 0 HG22 ILE A 133 4.445 -11.186 -19.050 1.00 0.00 H new ATOM 0 HG23 ILE A 133 3.810 -12.823 -18.763 1.00 0.00 H new ATOM 0 HD11 ILE A 133 5.909 -13.934 -14.515 1.00 0.00 H new ATOM 0 HD12 ILE A 133 7.195 -13.343 -15.594 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.071 -12.191 -14.834 1.00 0.00 H new TER 1616 ILE A 133