USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1124 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: B 13 CYS SG : rot -49:sc= -6.46! USER MOD Set 1.2: B 17 HIS : no HE2:sc= -2.69 K(o=-9.7,f=-12!) USER MOD Set 1.3: B 58 THR OG1 : rot 27:sc= -0.595 USER MOD Set 2.1: A 13 CYS SG : rot -51:sc= -6.57! USER MOD Set 2.2: A 17 HIS : no HE2:sc= -2.51 K(o=-9.6,f=-11!) USER MOD Set 2.3: A 58 THR OG1 : rot 28:sc= -0.518 USER MOD Single : A 3 SER OG : rot 36:sc= 0.0764 USER MOD Single : A 4 ASN : amide:sc= -2.44! C(o=-2.4!,f=-3.9!) USER MOD Single : A 5 THR OG1 : rot -107:sc= -0.157! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 51:sc= 0.0557 USER MOD Single : A 10 GLN : amide:sc= -3.05 K(o=-3.1,f=-4.7!) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.323 (180deg=-0.856) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0966 F(o=-0.94!,f=-0.097) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.01 F(o=-3!,f=-1) USER MOD Single : A 41 LYS NZ :NH3+ -116:sc= -1.3 (180deg=-3.21!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.011) USER MOD Single : A 59 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= -1.86! (180deg=-3.13!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.285 F(o=-1.2,f=-0.28) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 32:sc= 0.0958 USER MOD Single : B 4 ASN : amide:sc= -2.5 K(o=-2.5,f=-4.3!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -1.12 USER MOD Single : B 7 SER OG : rot 170:sc= 0 USER MOD Single : B 8 SER OG : rot 58:sc= 0.427 USER MOD Single : B 10 GLN : amide:sc= -1.97 K(o=-2,f=-3.4!) USER MOD Single : B 20 LYS NZ :NH3+ -165:sc= -0.258 (180deg=-0.705) USER MOD Single : B 21 GLN :FLIP amide:sc= -0.0928 F(o=-0.93,f=-0.093) USER MOD Single : B 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 GLN :FLIP amide:sc= -1.89 F(o=-3.6!,f=-1.9) USER MOD Single : B 41 LYS NZ :NH3+ -120:sc= -1.39 (180deg=-3.15!) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.025) USER MOD Single : B 59 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : B 62 LYS NZ :NH3+ 140:sc= -0.862 (180deg=-2.94!) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.25 F(o=-0.97,f=-0.25) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -6.978 8.290 17.128 1.00 0.00 N ATOM 31 CA SER A 3 -5.671 7.888 17.618 1.00 0.00 C ATOM 32 C SER A 3 -5.012 6.958 16.597 1.00 0.00 C ATOM 33 O SER A 3 -4.513 7.460 15.578 1.00 0.00 O ATOM 34 CB SER A 3 -5.771 7.195 18.979 1.00 0.00 C ATOM 35 OG SER A 3 -6.470 7.991 19.933 1.00 0.00 O ATOM 0 HA SER A 3 -5.061 8.782 17.750 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.280 6.238 18.862 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.769 6.980 19.351 1.00 0.00 H new ATOM 0 HG SER A 3 -7.196 8.475 19.486 1.00 0.00 H new ATOM 41 N ASN A 4 -5.023 5.644 16.883 1.00 0.00 N ATOM 42 CA ASN A 4 -4.431 4.658 15.995 1.00 0.00 C ATOM 43 C ASN A 4 -5.209 4.631 14.679 1.00 0.00 C ATOM 44 O ASN A 4 -4.596 4.353 13.638 1.00 0.00 O ATOM 45 CB ASN A 4 -4.492 3.258 16.609 1.00 0.00 C ATOM 46 CG ASN A 4 -3.098 2.632 16.688 1.00 0.00 C ATOM 47 OD1 ASN A 4 -2.084 3.310 16.693 1.00 0.00 O ATOM 48 ND2 ASN A 4 -3.104 1.304 16.750 1.00 0.00 N ATOM 0 H ASN A 4 -5.439 5.251 17.727 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.390 4.935 15.830 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.927 3.314 17.607 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.146 2.623 16.011 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.224 0.792 16.806 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.989 0.797 16.742 1.00 0.00 H new ATOM 55 N THR A 5 -6.522 4.916 14.749 1.00 0.00 N ATOM 56 CA THR A 5 -7.372 4.924 13.570 1.00 0.00 C ATOM 57 C THR A 5 -6.878 5.997 12.598 1.00 0.00 C ATOM 58 O THR A 5 -6.627 5.664 11.430 1.00 0.00 O ATOM 59 CB THR A 5 -8.821 5.128 14.015 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.004 4.169 15.054 1.00 0.00 O ATOM 61 CG2 THR A 5 -9.828 4.710 12.941 1.00 0.00 C ATOM 0 H THR A 5 -7.007 5.143 15.617 1.00 0.00 H new ATOM 0 HA THR A 5 -7.327 3.975 13.036 1.00 0.00 H new ATOM 0 HB THR A 5 -8.977 6.176 14.271 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.565 3.435 14.727 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.841 4.875 13.308 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.667 5.303 12.041 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.694 3.654 12.708 1.00 0.00 H new ATOM 69 N VAL A 6 -6.750 7.243 13.090 1.00 0.00 N ATOM 70 CA VAL A 6 -6.290 8.350 12.270 1.00 0.00 C ATOM 71 C VAL A 6 -5.054 7.916 11.478 1.00 0.00 C ATOM 72 O VAL A 6 -5.004 8.186 10.269 1.00 0.00 O ATOM 73 CB VAL A 6 -6.036 9.579 13.145 1.00 0.00 C ATOM 74 CG1 VAL A 6 -4.537 9.816 13.337 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.717 10.818 12.561 1.00 0.00 C ATOM 0 H VAL A 6 -6.962 7.496 14.055 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.056 8.633 11.548 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.472 9.388 14.125 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.385 10.695 13.963 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.090 8.946 13.819 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.067 9.975 12.367 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.521 11.677 13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.324 11.013 11.563 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.792 10.648 12.501 1.00 0.00 H new ATOM 85 N SER A 7 -4.100 7.261 12.163 1.00 0.00 N ATOM 86 CA SER A 7 -2.879 6.795 11.528 1.00 0.00 C ATOM 87 C SER A 7 -3.237 5.863 10.368 1.00 0.00 C ATOM 88 O SER A 7 -2.841 6.158 9.231 1.00 0.00 O ATOM 89 CB SER A 7 -1.968 6.076 12.525 1.00 0.00 C ATOM 90 OG SER A 7 -1.006 6.957 13.100 1.00 0.00 O ATOM 0 H SER A 7 -4.162 7.048 13.158 1.00 0.00 H new ATOM 0 HA SER A 7 -2.333 7.660 11.151 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.574 5.634 13.316 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.454 5.257 12.022 1.00 0.00 H new ATOM 0 HG SER A 7 -0.445 6.461 13.732 1.00 0.00 H new ATOM 96 N SER A 8 -3.964 4.774 10.674 1.00 0.00 N ATOM 97 CA SER A 8 -4.368 3.810 9.665 1.00 0.00 C ATOM 98 C SER A 8 -4.950 4.553 8.460 1.00 0.00 C ATOM 99 O SER A 8 -4.651 4.161 7.324 1.00 0.00 O ATOM 100 CB SER A 8 -5.389 2.814 10.218 1.00 0.00 C ATOM 101 OG SER A 8 -6.223 2.279 9.193 1.00 0.00 O ATOM 0 H SER A 8 -4.279 4.549 11.618 1.00 0.00 H new ATOM 0 HA SER A 8 -3.490 3.242 9.358 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.866 2.001 10.721 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.007 3.307 10.968 1.00 0.00 H new ATOM 0 HG SER A 8 -5.666 1.947 8.458 1.00 0.00 H new ATOM 107 N PHE A 9 -5.759 5.594 8.728 1.00 0.00 N ATOM 108 CA PHE A 9 -6.375 6.382 7.674 1.00 0.00 C ATOM 109 C PHE A 9 -5.282 6.982 6.787 1.00 0.00 C ATOM 110 O PHE A 9 -5.278 6.694 5.581 1.00 0.00 O ATOM 111 CB PHE A 9 -7.235 7.493 8.307 1.00 0.00 C ATOM 112 CG PHE A 9 -8.618 7.654 7.692 1.00 0.00 C ATOM 113 CD1 PHE A 9 -9.705 6.896 8.185 1.00 0.00 C ATOM 114 CD2 PHE A 9 -8.827 8.565 6.630 1.00 0.00 C ATOM 115 CE1 PHE A 9 -10.990 7.044 7.620 1.00 0.00 C ATOM 116 CE2 PHE A 9 -10.111 8.714 6.066 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.193 7.953 6.560 1.00 0.00 C ATOM 0 H PHE A 9 -5.995 5.900 9.672 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.016 5.751 7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.347 7.285 9.371 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.702 8.440 8.222 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.551 6.201 8.997 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.001 9.148 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.817 6.462 7.999 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.267 9.411 5.256 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.176 8.067 6.127 1.00 0.00 H new ATOM 127 N GLN A 10 -4.392 7.789 7.390 1.00 0.00 N ATOM 128 CA GLN A 10 -3.306 8.421 6.659 1.00 0.00 C ATOM 129 C GLN A 10 -2.651 7.391 5.735 1.00 0.00 C ATOM 130 O GLN A 10 -2.640 7.617 4.517 1.00 0.00 O ATOM 131 CB GLN A 10 -2.276 9.040 7.606 1.00 0.00 C ATOM 132 CG GLN A 10 -2.487 10.550 7.735 1.00 0.00 C ATOM 133 CD GLN A 10 -2.410 10.992 9.198 1.00 0.00 C ATOM 134 OE1 GLN A 10 -1.539 10.587 9.950 1.00 0.00 O ATOM 135 NE2 GLN A 10 -3.367 11.843 9.556 1.00 0.00 N ATOM 0 H GLN A 10 -4.413 8.013 8.385 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.715 9.234 6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.353 8.573 8.588 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.270 8.840 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.732 11.077 7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.458 10.822 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.065 12.141 8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.403 12.198 10.512 1.00 0.00 H new ATOM 144 N VAL A 11 -2.130 6.300 6.323 1.00 0.00 N ATOM 145 CA VAL A 11 -1.482 5.248 5.558 1.00 0.00 C ATOM 146 C VAL A 11 -2.432 4.760 4.463 1.00 0.00 C ATOM 147 O VAL A 11 -1.955 4.457 3.360 1.00 0.00 O ATOM 148 CB VAL A 11 -1.022 4.129 6.494 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.817 2.822 5.725 1.00 0.00 C ATOM 150 CG2 VAL A 11 0.250 4.529 7.245 1.00 0.00 C ATOM 0 H VAL A 11 -2.151 6.134 7.329 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.588 5.629 5.065 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.808 3.965 7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.490 2.042 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.756 2.524 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.059 2.968 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.555 3.715 7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.046 4.734 6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.056 5.423 7.838 1.00 0.00 H new ATOM 160 N ASP A 12 -3.737 4.695 4.783 1.00 0.00 N ATOM 161 CA ASP A 12 -4.742 4.249 3.834 1.00 0.00 C ATOM 162 C ASP A 12 -4.729 5.171 2.612 1.00 0.00 C ATOM 163 O ASP A 12 -4.359 4.705 1.525 1.00 0.00 O ATOM 164 CB ASP A 12 -6.141 4.299 4.449 1.00 0.00 C ATOM 165 CG ASP A 12 -7.129 3.271 3.892 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.844 2.584 2.900 1.00 0.00 O ATOM 167 OD2 ASP A 12 -8.247 3.189 4.529 1.00 0.00 O ATOM 0 H ASP A 12 -4.109 4.949 5.698 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.508 3.222 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.054 4.151 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.553 5.297 4.297 1.00 0.00 H new ATOM 172 N CYS A 13 -5.126 6.440 2.813 1.00 0.00 N ATOM 173 CA CYS A 13 -5.160 7.415 1.735 1.00 0.00 C ATOM 174 C CYS A 13 -3.840 7.362 0.964 1.00 0.00 C ATOM 175 O CYS A 13 -3.882 7.221 -0.267 1.00 0.00 O ATOM 176 CB CYS A 13 -5.453 8.819 2.271 1.00 0.00 C ATOM 177 SG CYS A 13 -4.050 9.626 3.098 1.00 0.00 S ATOM 0 H CYS A 13 -5.426 6.804 3.717 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.971 7.168 1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.780 9.448 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.285 8.759 2.973 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.551 8.822 3.990 1.00 0.00 H new ATOM 183 N PHE A 14 -2.714 7.475 1.690 1.00 0.00 N ATOM 184 CA PHE A 14 -1.396 7.439 1.077 1.00 0.00 C ATOM 185 C PHE A 14 -1.327 6.268 0.094 1.00 0.00 C ATOM 186 O PHE A 14 -1.137 6.516 -1.105 1.00 0.00 O ATOM 187 CB PHE A 14 -0.328 7.294 2.178 1.00 0.00 C ATOM 188 CG PHE A 14 0.938 6.568 1.742 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.702 7.063 0.662 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.360 5.399 2.418 1.00 0.00 C ATOM 191 CE1 PHE A 14 2.878 6.395 0.258 1.00 0.00 C ATOM 192 CE2 PHE A 14 2.536 4.731 2.015 1.00 0.00 C ATOM 193 CZ PHE A 14 3.295 5.229 0.934 1.00 0.00 C ATOM 0 H PHE A 14 -2.702 7.592 2.703 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.210 8.363 0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.057 8.287 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.765 6.760 3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.385 7.956 0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.780 5.017 3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.459 6.777 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.855 3.839 2.534 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.195 4.718 0.625 1.00 0.00 H new ATOM 203 N LEU A 15 -1.479 5.038 0.614 1.00 0.00 N ATOM 204 CA LEU A 15 -1.435 3.842 -0.213 1.00 0.00 C ATOM 205 C LEU A 15 -2.248 4.077 -1.486 1.00 0.00 C ATOM 206 O LEU A 15 -1.668 3.997 -2.580 1.00 0.00 O ATOM 207 CB LEU A 15 -1.886 2.620 0.589 1.00 0.00 C ATOM 208 CG LEU A 15 -1.538 1.257 -0.012 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.667 0.251 0.220 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.182 1.387 -1.495 1.00 0.00 C ATOM 0 H LEU A 15 -1.633 4.856 1.606 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.412 3.631 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.444 2.680 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.967 2.673 0.717 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.655 0.873 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.394 -0.709 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.831 0.129 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.581 0.616 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.939 0.404 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.031 1.802 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.322 2.048 -1.606 1.00 0.00 H new ATOM 222 N TRP A 16 -3.553 4.359 -1.324 1.00 0.00 N ATOM 223 CA TRP A 16 -4.434 4.602 -2.454 1.00 0.00 C ATOM 224 C TRP A 16 -3.682 5.405 -3.518 1.00 0.00 C ATOM 225 O TRP A 16 -3.542 4.906 -4.643 1.00 0.00 O ATOM 226 CB TRP A 16 -5.720 5.287 -1.986 1.00 0.00 C ATOM 227 CG TRP A 16 -6.711 5.586 -3.112 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.714 4.814 -3.554 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.755 6.777 -3.924 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.398 5.419 -4.589 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.797 6.651 -4.821 1.00 0.00 C ATOM 232 CE3 TRP A 16 -5.942 7.924 -3.903 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.122 7.634 -5.763 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.279 8.898 -4.851 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.325 8.785 -5.760 1.00 0.00 C ATOM 0 H TRP A 16 -4.011 4.422 -0.415 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.735 3.658 -2.909 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.208 4.654 -1.245 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.461 6.221 -1.486 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.956 3.842 -3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.197 5.033 -5.091 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.122 8.044 -3.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -8.943 7.511 -6.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.685 9.800 -4.878 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.522 9.582 -6.461 1.00 0.00 H new ATOM 246 N HIS A 17 -3.222 6.612 -3.146 1.00 0.00 N ATOM 247 CA HIS A 17 -2.493 7.474 -4.062 1.00 0.00 C ATOM 248 C HIS A 17 -1.421 6.653 -4.782 1.00 0.00 C ATOM 249 O HIS A 17 -1.411 6.655 -6.022 1.00 0.00 O ATOM 250 CB HIS A 17 -1.917 8.688 -3.331 1.00 0.00 C ATOM 251 CG HIS A 17 -2.931 9.772 -3.049 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.030 10.923 -3.811 1.00 0.00 N ATOM 253 CD2 HIS A 17 -3.888 9.867 -2.083 1.00 0.00 C ATOM 254 CE1 HIS A 17 -4.006 11.670 -3.315 1.00 0.00 C ATOM 255 NE2 HIS A 17 -4.537 11.014 -2.244 1.00 0.00 N ATOM 0 H HIS A 17 -3.348 7.004 -2.213 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.173 7.871 -4.815 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.481 8.358 -2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.107 9.108 -3.927 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.450 11.157 -4.617 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.085 9.133 -1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.325 12.630 -3.693 1.00 0.00 H new ATOM 263 N VAL A 18 -0.555 5.978 -4.005 1.00 0.00 N ATOM 264 CA VAL A 18 0.508 5.163 -4.565 1.00 0.00 C ATOM 265 C VAL A 18 -0.081 4.205 -5.603 1.00 0.00 C ATOM 266 O VAL A 18 0.597 3.927 -6.603 1.00 0.00 O ATOM 267 CB VAL A 18 1.261 4.442 -3.445 1.00 0.00 C ATOM 268 CG1 VAL A 18 2.043 3.246 -3.991 1.00 0.00 C ATOM 269 CG2 VAL A 18 2.183 5.405 -2.696 1.00 0.00 C ATOM 0 H VAL A 18 -0.581 5.989 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 18 1.238 5.789 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 18 0.525 4.064 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.569 2.752 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.353 2.542 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.765 3.591 -4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.706 4.867 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.910 5.827 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.591 6.209 -2.258 1.00 0.00 H new ATOM 279 N ARG A 19 -1.313 3.728 -5.349 1.00 0.00 N ATOM 280 CA ARG A 19 -1.985 2.811 -6.254 1.00 0.00 C ATOM 281 C ARG A 19 -2.395 3.562 -7.522 1.00 0.00 C ATOM 282 O ARG A 19 -1.955 3.163 -8.611 1.00 0.00 O ATOM 283 CB ARG A 19 -3.229 2.194 -5.610 1.00 0.00 C ATOM 284 CG ARG A 19 -2.950 1.778 -4.164 1.00 0.00 C ATOM 285 CD ARG A 19 -3.863 0.626 -3.739 1.00 0.00 C ATOM 286 NE ARG A 19 -3.513 -0.601 -4.489 1.00 0.00 N ATOM 287 CZ ARG A 19 -4.252 -1.730 -4.479 1.00 0.00 C ATOM 288 NH1 ARG A 19 -5.377 -1.764 -3.751 1.00 0.00 N ATOM 289 NH2 ARG A 19 -3.867 -2.801 -5.187 1.00 0.00 N ATOM 0 H ARG A 19 -1.855 3.970 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.292 2.005 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.049 2.912 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.549 1.326 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.907 1.477 -4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.101 2.630 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.763 0.448 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.905 0.890 -3.923 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.660 -0.593 -5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.663 -0.944 -3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.947 -2.610 -3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.010 -2.766 -5.739 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.431 -3.651 -5.174 1.00 0.00 H new ATOM 303 N LYS A 20 -3.214 4.615 -7.360 1.00 0.00 N ATOM 304 CA LYS A 20 -3.678 5.411 -8.484 1.00 0.00 C ATOM 305 C LYS A 20 -2.497 5.715 -9.408 1.00 0.00 C ATOM 306 O LYS A 20 -2.665 5.615 -10.633 1.00 0.00 O ATOM 307 CB LYS A 20 -4.410 6.660 -7.990 1.00 0.00 C ATOM 308 CG LYS A 20 -4.924 7.494 -9.166 1.00 0.00 C ATOM 309 CD LYS A 20 -5.811 8.641 -8.678 1.00 0.00 C ATOM 310 CE LYS A 20 -6.340 9.465 -9.854 1.00 0.00 C ATOM 311 NZ LYS A 20 -5.340 9.521 -10.934 1.00 0.00 N ATOM 0 H LYS A 20 -3.563 4.927 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.408 4.854 -9.071 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.245 6.369 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.738 7.262 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.081 7.895 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.488 6.858 -9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.647 8.240 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.243 9.284 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.264 9.024 -10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.580 10.474 -9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.603 10.264 -11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.406 9.736 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.304 8.603 -11.422 1.00 0.00 H new ATOM 325 N GLN A 21 -1.344 6.074 -8.816 1.00 0.00 N ATOM 326 CA GLN A 21 -0.149 6.388 -9.580 1.00 0.00 C ATOM 327 C GLN A 21 0.361 5.119 -10.266 1.00 0.00 C ATOM 328 O GLN A 21 0.751 5.199 -11.439 1.00 0.00 O ATOM 329 CB GLN A 21 0.936 7.010 -8.698 1.00 0.00 C ATOM 330 CG GLN A 21 1.077 8.507 -8.977 1.00 0.00 C ATOM 331 CD GLN A 21 -0.234 9.243 -8.698 1.00 0.00 C ATOM 332 OE1 GLN A 21 -0.902 8.781 -7.646 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 -0.615 10.172 -9.393 1.00 0.00 N flip ATOM 0 H GLN A 21 -1.226 6.151 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.404 7.129 -10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.690 6.854 -7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.888 6.511 -8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.871 8.923 -8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.371 8.661 -10.015 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.054 10.478 -10.188 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.495 10.642 -9.179 1.00 0.00 H new ATOM 342 N VAL A 22 0.348 3.992 -9.531 1.00 0.00 N ATOM 343 CA VAL A 22 0.807 2.721 -10.064 1.00 0.00 C ATOM 344 C VAL A 22 0.005 2.382 -11.324 1.00 0.00 C ATOM 345 O VAL A 22 0.620 1.979 -12.322 1.00 0.00 O ATOM 346 CB VAL A 22 0.714 1.637 -8.988 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.263 0.305 -9.589 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.044 1.484 -8.249 1.00 0.00 C ATOM 0 H VAL A 22 0.022 3.948 -8.566 1.00 0.00 H new ATOM 0 HA VAL A 22 1.856 2.785 -10.352 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.038 1.948 -8.263 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.205 -0.448 -8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.718 0.427 -10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.980 -0.014 -10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.951 0.708 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.824 1.207 -8.958 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.306 2.428 -7.772 1.00 0.00 H new ATOM 358 N VAL A 23 -1.327 2.550 -11.254 1.00 0.00 N ATOM 359 CA VAL A 23 -2.200 2.265 -12.379 1.00 0.00 C ATOM 360 C VAL A 23 -2.056 3.373 -13.424 1.00 0.00 C ATOM 361 O VAL A 23 -2.212 3.080 -14.619 1.00 0.00 O ATOM 362 CB VAL A 23 -3.639 2.085 -11.893 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.528 1.524 -13.005 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.691 1.195 -10.649 1.00 0.00 C ATOM 0 H VAL A 23 -1.813 2.884 -10.422 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.913 1.328 -12.857 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.024 3.067 -11.619 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.546 1.406 -12.633 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.529 2.211 -13.851 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.144 0.555 -13.324 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.726 1.083 -10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.277 0.215 -10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.107 1.652 -9.850 1.00 0.00 H new ATOM 374 N ASP A 24 -1.768 4.603 -12.962 1.00 0.00 N ATOM 375 CA ASP A 24 -1.604 5.741 -13.850 1.00 0.00 C ATOM 376 C ASP A 24 -0.540 5.415 -14.900 1.00 0.00 C ATOM 377 O ASP A 24 -0.501 6.099 -15.934 1.00 0.00 O ATOM 378 CB ASP A 24 -1.145 6.980 -13.080 1.00 0.00 C ATOM 379 CG ASP A 24 -1.362 8.309 -13.806 1.00 0.00 C ATOM 380 OD1 ASP A 24 -2.504 8.756 -13.993 1.00 0.00 O ATOM 381 OD2 ASP A 24 -0.283 8.902 -14.190 1.00 0.00 O ATOM 0 H ASP A 24 -1.646 4.823 -11.973 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.567 5.944 -14.318 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.673 7.013 -12.127 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.084 6.876 -12.853 1.00 0.00 H new ATOM 386 N GLN A 25 0.289 4.394 -14.620 1.00 0.00 N ATOM 387 CA GLN A 25 1.343 3.984 -15.534 1.00 0.00 C ATOM 388 C GLN A 25 0.937 2.679 -16.221 1.00 0.00 C ATOM 389 O GLN A 25 1.525 2.353 -17.262 1.00 0.00 O ATOM 390 CB GLN A 25 2.683 3.830 -14.813 1.00 0.00 C ATOM 391 CG GLN A 25 3.733 4.776 -15.398 1.00 0.00 C ATOM 392 CD GLN A 25 4.616 5.365 -14.296 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.736 4.938 -14.067 1.00 0.00 O ATOM 394 NE2 GLN A 25 4.052 6.367 -13.627 1.00 0.00 N ATOM 0 H GLN A 25 0.240 3.843 -13.763 1.00 0.00 H new ATOM 0 HA GLN A 25 1.475 4.761 -16.287 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.554 4.037 -13.751 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.029 2.800 -14.898 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.352 4.238 -16.116 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.239 5.581 -15.942 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.111 6.676 -13.869 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.561 6.826 -12.872 1.00 0.00 H new ATOM 403 N GLU A 26 -0.045 1.970 -15.635 1.00 0.00 N ATOM 404 CA GLU A 26 -0.523 0.714 -16.188 1.00 0.00 C ATOM 405 C GLU A 26 0.507 -0.384 -15.911 1.00 0.00 C ATOM 406 O GLU A 26 0.653 -1.280 -16.755 1.00 0.00 O ATOM 407 CB GLU A 26 -0.809 0.831 -17.687 1.00 0.00 C ATOM 408 CG GLU A 26 -2.200 0.291 -18.023 1.00 0.00 C ATOM 409 CD GLU A 26 -2.120 -0.798 -19.095 1.00 0.00 C ATOM 410 OE1 GLU A 26 -1.209 -0.775 -19.935 1.00 0.00 O ATOM 411 OE2 GLU A 26 -3.048 -1.692 -19.032 1.00 0.00 O ATOM 0 H GLU A 26 -0.516 2.256 -14.777 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.465 0.456 -15.705 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.736 1.874 -17.995 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.055 0.279 -18.249 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.665 -0.112 -17.123 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.835 1.105 -18.373 1.00 0.00 H new ATOM 418 N LEU A 27 1.186 -0.295 -14.754 1.00 0.00 N ATOM 419 CA LEU A 27 2.189 -1.274 -14.372 1.00 0.00 C ATOM 420 C LEU A 27 1.527 -2.388 -13.561 1.00 0.00 C ATOM 421 O LEU A 27 2.196 -3.394 -13.283 1.00 0.00 O ATOM 422 CB LEU A 27 3.352 -0.594 -13.647 1.00 0.00 C ATOM 423 CG LEU A 27 3.065 -0.110 -12.224 1.00 0.00 C ATOM 424 CD1 LEU A 27 3.356 -1.210 -11.202 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.834 1.176 -11.917 1.00 0.00 C ATOM 0 H LEU A 27 1.049 0.452 -14.073 1.00 0.00 H new ATOM 0 HA LEU A 27 2.623 -1.739 -15.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.189 -1.292 -13.610 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.675 0.260 -14.242 1.00 0.00 H new ATOM 0 HG LEU A 27 2.003 0.125 -12.150 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.144 -0.840 -10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.727 -2.076 -11.410 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.405 -1.499 -11.268 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.612 1.498 -10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.904 0.992 -12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.535 1.955 -12.618 1.00 0.00 H new ATOM 437 N GLY A 28 0.244 -2.192 -13.203 1.00 0.00 N ATOM 438 CA GLY A 28 -0.499 -3.174 -12.432 1.00 0.00 C ATOM 439 C GLY A 28 -0.713 -4.428 -13.282 1.00 0.00 C ATOM 440 O GLY A 28 0.139 -4.714 -14.136 1.00 0.00 O ATOM 0 H GLY A 28 -0.290 -1.356 -13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.045 -3.426 -11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.460 -2.761 -12.125 1.00 0.00 H new ATOM 444 N ASP A 29 -1.828 -5.139 -13.036 1.00 0.00 N ATOM 445 CA ASP A 29 -2.148 -6.349 -13.774 1.00 0.00 C ATOM 446 C ASP A 29 -3.632 -6.338 -14.143 1.00 0.00 C ATOM 447 O ASP A 29 -3.981 -6.877 -15.204 1.00 0.00 O ATOM 448 CB ASP A 29 -1.881 -7.595 -12.928 1.00 0.00 C ATOM 449 CG ASP A 29 -1.856 -8.912 -13.708 1.00 0.00 C ATOM 450 OD1 ASP A 29 -2.235 -8.825 -14.938 1.00 0.00 O ATOM 451 OD2 ASP A 29 -1.492 -9.967 -13.167 1.00 0.00 O ATOM 0 H ASP A 29 -2.517 -4.886 -12.328 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.522 -6.377 -14.666 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.925 -7.473 -12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.647 -7.662 -12.155 1.00 0.00 H new ATOM 456 N ALA A 30 -4.465 -5.735 -13.276 1.00 0.00 N ATOM 457 CA ALA A 30 -5.897 -5.656 -13.510 1.00 0.00 C ATOM 458 C ALA A 30 -6.617 -5.452 -12.175 1.00 0.00 C ATOM 459 O ALA A 30 -7.599 -4.697 -12.145 1.00 0.00 O ATOM 460 CB ALA A 30 -6.401 -6.988 -14.070 1.00 0.00 C ATOM 0 H ALA A 30 -4.158 -5.297 -12.407 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.089 -4.836 -14.202 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.475 -6.926 -14.245 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.892 -7.203 -15.010 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.195 -7.785 -13.355 1.00 0.00 H new ATOM 466 N PRO A 31 -6.123 -6.119 -11.117 1.00 0.00 N ATOM 467 CA PRO A 31 -6.689 -6.035 -9.781 1.00 0.00 C ATOM 468 C PRO A 31 -6.332 -4.703 -9.117 1.00 0.00 C ATOM 469 O PRO A 31 -7.064 -4.283 -8.209 1.00 0.00 O ATOM 470 CB PRO A 31 -6.129 -7.237 -9.040 1.00 0.00 C ATOM 471 CG PRO A 31 -4.914 -7.688 -9.834 1.00 0.00 C ATOM 472 CD PRO A 31 -4.962 -7.001 -11.190 1.00 0.00 C ATOM 0 HA PRO A 31 -7.779 -6.058 -9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.852 -6.972 -8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.869 -8.034 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.996 -7.429 -9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.917 -8.771 -9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.048 -6.438 -11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.065 -7.726 -11.998 1.00 0.00 H new ATOM 480 N PHE A 32 -5.233 -4.078 -9.574 1.00 0.00 N ATOM 481 CA PHE A 32 -4.786 -2.808 -9.029 1.00 0.00 C ATOM 482 C PHE A 32 -5.782 -1.713 -9.416 1.00 0.00 C ATOM 483 O PHE A 32 -6.119 -0.889 -8.552 1.00 0.00 O ATOM 484 CB PHE A 32 -3.381 -2.487 -9.573 1.00 0.00 C ATOM 485 CG PHE A 32 -2.234 -2.997 -8.712 1.00 0.00 C ATOM 486 CD1 PHE A 32 -2.490 -3.893 -7.648 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.906 -2.585 -8.972 1.00 0.00 C ATOM 488 CE1 PHE A 32 -1.429 -4.370 -6.850 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.155 -3.063 -8.174 1.00 0.00 C ATOM 490 CZ PHE A 32 -0.107 -3.955 -7.112 1.00 0.00 C ATOM 0 H PHE A 32 -4.644 -4.443 -10.323 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.734 -2.863 -7.942 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.286 -2.915 -10.571 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.285 -1.406 -9.679 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.501 -4.213 -7.446 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.703 -1.902 -9.784 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.629 -5.053 -6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.168 -2.746 -8.376 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.705 -4.320 -6.500 1.00 0.00 H new ATOM 500 N LEU A 33 -6.225 -1.724 -10.685 1.00 0.00 N ATOM 501 CA LEU A 33 -7.173 -0.739 -11.179 1.00 0.00 C ATOM 502 C LEU A 33 -8.556 -1.031 -10.595 1.00 0.00 C ATOM 503 O LEU A 33 -9.199 -0.092 -10.103 1.00 0.00 O ATOM 504 CB LEU A 33 -7.148 -0.691 -12.707 1.00 0.00 C ATOM 505 CG LEU A 33 -7.943 0.444 -13.357 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.366 0.802 -14.728 1.00 0.00 C ATOM 507 CD2 LEU A 33 -9.430 0.099 -13.432 1.00 0.00 C ATOM 0 H LEU A 33 -5.934 -2.411 -11.381 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.892 0.260 -10.847 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.110 -0.613 -13.031 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.530 -1.639 -13.087 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.851 1.330 -12.728 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.949 1.611 -15.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.330 1.121 -14.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.407 -0.071 -15.379 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.971 0.922 -13.898 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.564 -0.805 -14.025 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.816 -0.066 -12.426 1.00 0.00 H new ATOM 519 N ASP A 34 -8.981 -2.306 -10.659 1.00 0.00 N ATOM 520 CA ASP A 34 -10.275 -2.714 -10.140 1.00 0.00 C ATOM 521 C ASP A 34 -10.346 -2.390 -8.646 1.00 0.00 C ATOM 522 O ASP A 34 -11.340 -1.783 -8.222 1.00 0.00 O ATOM 523 CB ASP A 34 -10.484 -4.221 -10.306 1.00 0.00 C ATOM 524 CG ASP A 34 -11.925 -4.698 -10.117 1.00 0.00 C ATOM 525 OD1 ASP A 34 -12.650 -4.208 -9.238 1.00 0.00 O ATOM 526 OD2 ASP A 34 -12.304 -5.626 -10.929 1.00 0.00 O ATOM 0 H ASP A 34 -8.436 -3.065 -11.069 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.045 -2.179 -10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.148 -4.512 -11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.848 -4.742 -9.590 1.00 0.00 H new ATOM 531 N ARG A 35 -9.308 -2.793 -7.892 1.00 0.00 N ATOM 532 CA ARG A 35 -9.254 -2.545 -6.461 1.00 0.00 C ATOM 533 C ARG A 35 -9.286 -1.037 -6.207 1.00 0.00 C ATOM 534 O ARG A 35 -9.991 -0.610 -5.281 1.00 0.00 O ATOM 535 CB ARG A 35 -7.989 -3.136 -5.835 1.00 0.00 C ATOM 536 CG ARG A 35 -8.095 -4.657 -5.714 1.00 0.00 C ATOM 537 CD ARG A 35 -6.719 -5.286 -5.483 1.00 0.00 C ATOM 538 NE ARG A 35 -5.947 -4.472 -4.519 1.00 0.00 N ATOM 539 CZ ARG A 35 -5.398 -4.959 -3.386 1.00 0.00 C ATOM 540 NH1 ARG A 35 -5.550 -6.259 -3.097 1.00 0.00 N ATOM 541 NH2 ARG A 35 -4.711 -4.156 -2.562 1.00 0.00 N ATOM 0 H ARG A 35 -8.499 -3.292 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.117 -3.027 -6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.123 -2.876 -6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.829 -2.700 -4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.760 -4.914 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.539 -5.068 -6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.833 -6.302 -5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.179 -5.356 -6.427 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.822 -3.481 -4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.074 -6.864 -3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.142 -6.643 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.599 -3.168 -2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.300 -4.533 -1.708 1.00 0.00 H new ATOM 555 N LEU A 36 -8.532 -0.274 -7.019 1.00 0.00 N ATOM 556 CA LEU A 36 -8.475 1.172 -6.882 1.00 0.00 C ATOM 557 C LEU A 36 -9.872 1.755 -7.095 1.00 0.00 C ATOM 558 O LEU A 36 -10.203 2.751 -6.433 1.00 0.00 O ATOM 559 CB LEU A 36 -7.415 1.756 -7.818 1.00 0.00 C ATOM 560 CG LEU A 36 -7.725 3.136 -8.404 1.00 0.00 C ATOM 561 CD1 LEU A 36 -7.599 4.225 -7.337 1.00 0.00 C ATOM 562 CD2 LEU A 36 -6.847 3.423 -9.624 1.00 0.00 C ATOM 0 H LEU A 36 -7.957 -0.646 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.165 1.448 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.472 1.817 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.263 1.059 -8.642 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.760 3.138 -8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.824 5.195 -7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.300 4.024 -6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.583 4.233 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.087 4.409 -10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.797 3.395 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.030 2.669 -10.390 1.00 0.00 H new ATOM 574 N ARG A 37 -10.653 1.137 -7.998 1.00 0.00 N ATOM 575 CA ARG A 37 -12.001 1.593 -8.293 1.00 0.00 C ATOM 576 C ARG A 37 -12.881 1.400 -7.056 1.00 0.00 C ATOM 577 O ARG A 37 -13.439 2.394 -6.569 1.00 0.00 O ATOM 578 CB ARG A 37 -12.611 0.826 -9.468 1.00 0.00 C ATOM 579 CG ARG A 37 -12.987 1.777 -10.606 1.00 0.00 C ATOM 580 CD ARG A 37 -11.893 1.813 -11.676 1.00 0.00 C ATOM 581 NE ARG A 37 -12.076 0.691 -12.624 1.00 0.00 N ATOM 582 CZ ARG A 37 -12.432 0.845 -13.918 1.00 0.00 C ATOM 583 NH1 ARG A 37 -12.638 2.081 -14.393 1.00 0.00 N ATOM 584 NH2 ARG A 37 -12.578 -0.223 -14.714 1.00 0.00 N ATOM 0 H ARG A 37 -10.362 0.318 -8.532 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.949 2.647 -8.566 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.901 0.083 -9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.496 0.285 -9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.928 1.459 -11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.145 2.780 -10.209 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.927 2.762 -12.211 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.911 1.747 -11.207 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.924 -0.257 -12.279 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.525 2.888 -13.780 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.907 2.214 -15.368 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.420 -1.160 -14.344 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.847 -0.099 -15.690 1.00 0.00 H new ATOM 598 N ARG A 38 -12.986 0.146 -6.581 1.00 0.00 N ATOM 599 CA ARG A 38 -13.791 -0.170 -5.413 1.00 0.00 C ATOM 600 C ARG A 38 -13.250 0.596 -4.204 1.00 0.00 C ATOM 601 O ARG A 38 -14.035 0.882 -3.288 1.00 0.00 O ATOM 602 CB ARG A 38 -13.776 -1.669 -5.107 1.00 0.00 C ATOM 603 CG ARG A 38 -12.943 -2.431 -6.139 1.00 0.00 C ATOM 604 CD ARG A 38 -13.046 -3.942 -5.920 1.00 0.00 C ATOM 605 NE ARG A 38 -12.882 -4.257 -4.484 1.00 0.00 N ATOM 606 CZ ARG A 38 -11.981 -5.138 -4.000 1.00 0.00 C ATOM 607 NH1 ARG A 38 -11.175 -5.780 -4.858 1.00 0.00 N ATOM 608 NH2 ARG A 38 -11.894 -5.369 -2.683 1.00 0.00 N ATOM 0 H ARG A 38 -12.518 -0.659 -6.997 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.820 0.123 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.368 -1.836 -4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.796 -2.053 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.285 -2.181 -7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.900 -2.120 -6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.012 -4.304 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.281 -4.455 -6.503 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.488 -3.778 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.248 -5.599 -5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.488 -6.449 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.512 -4.877 -2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.210 -6.036 -2.326 1.00 0.00 H new ATOM 622 N ASP A 39 -11.942 0.909 -4.224 1.00 0.00 N ATOM 623 CA ASP A 39 -11.306 1.634 -3.138 1.00 0.00 C ATOM 624 C ASP A 39 -11.652 3.120 -3.252 1.00 0.00 C ATOM 625 O ASP A 39 -11.720 3.791 -2.212 1.00 0.00 O ATOM 626 CB ASP A 39 -9.784 1.496 -3.201 1.00 0.00 C ATOM 627 CG ASP A 39 -9.209 0.316 -2.415 1.00 0.00 C ATOM 628 OD1 ASP A 39 -9.745 -0.801 -2.457 1.00 0.00 O ATOM 629 OD2 ASP A 39 -8.149 0.583 -1.729 1.00 0.00 O ATOM 0 H ASP A 39 -11.313 0.665 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.667 1.218 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.486 1.398 -4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.335 2.416 -2.827 1.00 0.00 H new ATOM 634 N GLN A 40 -11.859 3.597 -4.493 1.00 0.00 N ATOM 635 CA GLN A 40 -12.194 4.990 -4.737 1.00 0.00 C ATOM 636 C GLN A 40 -13.510 5.324 -4.032 1.00 0.00 C ATOM 637 O GLN A 40 -13.559 6.343 -3.328 1.00 0.00 O ATOM 638 CB GLN A 40 -12.281 5.293 -6.234 1.00 0.00 C ATOM 639 CG GLN A 40 -12.751 6.728 -6.476 1.00 0.00 C ATOM 640 CD GLN A 40 -11.572 7.703 -6.455 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.970 7.796 -5.272 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -11.232 8.328 -7.445 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.797 3.027 -5.337 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.400 5.617 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.305 5.143 -6.696 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.970 4.596 -6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.261 6.790 -7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.475 7.011 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.739 8.209 -8.322 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.441 8.970 -7.396 1.00 0.00 H new ATOM 651 N LYS A 41 -14.533 4.474 -4.232 1.00 0.00 N ATOM 652 CA LYS A 41 -15.834 4.679 -3.620 1.00 0.00 C ATOM 653 C LYS A 41 -15.709 4.532 -2.103 1.00 0.00 C ATOM 654 O LYS A 41 -16.042 5.490 -1.387 1.00 0.00 O ATOM 655 CB LYS A 41 -16.873 3.745 -4.244 1.00 0.00 C ATOM 656 CG LYS A 41 -16.851 2.372 -3.569 1.00 0.00 C ATOM 657 CD LYS A 41 -17.759 1.384 -4.305 1.00 0.00 C ATOM 658 CE LYS A 41 -17.612 1.529 -5.821 1.00 0.00 C ATOM 659 NZ LYS A 41 -18.514 2.575 -6.329 1.00 0.00 N ATOM 0 H LYS A 41 -14.472 3.640 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.190 5.691 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.866 4.185 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.674 3.634 -5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.831 1.989 -3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.176 2.467 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.510 0.365 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.797 1.555 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.580 1.778 -6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.837 0.579 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.216 2.148 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.002 3.030 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.962 3.287 -6.848 1.00 0.00 H new ATOM 673 N SER A 42 -15.239 3.357 -1.648 1.00 0.00 N ATOM 674 CA SER A 42 -15.073 3.092 -0.229 1.00 0.00 C ATOM 675 C SER A 42 -14.319 4.255 0.419 1.00 0.00 C ATOM 676 O SER A 42 -14.912 4.947 1.260 1.00 0.00 O ATOM 677 CB SER A 42 -14.327 1.777 0.012 1.00 0.00 C ATOM 678 OG SER A 42 -15.124 0.834 0.721 1.00 0.00 O ATOM 0 H SER A 42 -14.970 2.581 -2.253 1.00 0.00 H new ATOM 0 HA SER A 42 -16.061 2.997 0.222 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.026 1.350 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.414 1.976 0.574 1.00 0.00 H new ATOM 0 HG SER A 42 -14.613 0.008 0.853 1.00 0.00 H new ATOM 684 N LEU A 43 -13.049 4.446 0.021 1.00 0.00 N ATOM 685 CA LEU A 43 -12.226 5.516 0.558 1.00 0.00 C ATOM 686 C LEU A 43 -12.998 6.834 0.484 1.00 0.00 C ATOM 687 O LEU A 43 -13.151 7.488 1.526 1.00 0.00 O ATOM 688 CB LEU A 43 -10.870 5.557 -0.151 1.00 0.00 C ATOM 689 CG LEU A 43 -9.880 6.607 0.356 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.977 6.029 1.447 1.00 0.00 C ATOM 691 CD2 LEU A 43 -9.073 7.202 -0.801 1.00 0.00 C ATOM 0 H LEU A 43 -12.579 3.865 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.005 5.334 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.405 4.575 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.043 5.732 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.447 7.422 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.283 6.797 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.588 5.692 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.416 5.185 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.376 7.946 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.517 6.410 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.751 7.675 -1.512 1.00 0.00 H new ATOM 703 N ARG A 44 -13.462 7.193 -0.726 1.00 0.00 N ATOM 704 CA ARG A 44 -14.210 8.422 -0.931 1.00 0.00 C ATOM 705 C ARG A 44 -15.200 8.609 0.222 1.00 0.00 C ATOM 706 O ARG A 44 -15.133 9.650 0.893 1.00 0.00 O ATOM 707 CB ARG A 44 -14.979 8.400 -2.254 1.00 0.00 C ATOM 708 CG ARG A 44 -16.033 9.508 -2.295 1.00 0.00 C ATOM 709 CD ARG A 44 -16.251 10.006 -3.725 1.00 0.00 C ATOM 710 NE ARG A 44 -16.453 11.472 -3.726 1.00 0.00 N ATOM 711 CZ ARG A 44 -17.554 12.084 -3.241 1.00 0.00 C ATOM 712 NH1 ARG A 44 -18.537 11.337 -2.721 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.661 13.419 -3.279 1.00 0.00 N ATOM 0 H ARG A 44 -13.326 6.640 -1.572 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.500 9.248 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.284 8.524 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.460 7.431 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.973 9.135 -1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.719 10.337 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.391 9.749 -4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.118 9.511 -4.163 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.714 12.056 -4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.447 10.321 -2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.376 11.784 -2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.907 13.980 -3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.496 13.874 -2.911 1.00 0.00 H new ATOM 727 N GLY A 45 -16.082 7.615 0.426 1.00 0.00 N ATOM 728 CA GLY A 45 -17.073 7.671 1.487 1.00 0.00 C ATOM 729 C GLY A 45 -16.379 7.998 2.810 1.00 0.00 C ATOM 730 O GLY A 45 -16.863 8.885 3.527 1.00 0.00 O ATOM 0 H GLY A 45 -16.119 6.766 -0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.823 8.428 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.595 6.717 1.563 1.00 0.00 H new ATOM 734 N ARG A 46 -15.275 7.287 3.104 1.00 0.00 N ATOM 735 CA ARG A 46 -14.524 7.500 4.329 1.00 0.00 C ATOM 736 C ARG A 46 -14.154 8.980 4.443 1.00 0.00 C ATOM 737 O ARG A 46 -14.669 9.649 5.353 1.00 0.00 O ATOM 738 CB ARG A 46 -13.247 6.659 4.361 1.00 0.00 C ATOM 739 CG ARG A 46 -13.109 5.923 5.696 1.00 0.00 C ATOM 740 CD ARG A 46 -13.901 4.613 5.684 1.00 0.00 C ATOM 741 NE ARG A 46 -13.129 3.548 6.363 1.00 0.00 N ATOM 742 CZ ARG A 46 -13.343 3.155 7.636 1.00 0.00 C ATOM 743 NH1 ARG A 46 -14.311 3.751 8.347 1.00 0.00 N ATOM 744 NH2 ARG A 46 -12.600 2.181 8.181 1.00 0.00 N ATOM 0 H ARG A 46 -14.892 6.560 2.500 1.00 0.00 H new ATOM 0 HA ARG A 46 -15.151 7.196 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.262 5.938 3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.380 7.301 4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.057 5.715 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.465 6.560 6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.860 4.753 6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.117 4.318 4.657 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.390 3.083 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.873 4.490 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.485 3.465 9.311 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.867 1.731 7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.768 1.890 9.144 1.00 0.00 H new ATOM 758 N GLY A 47 -13.283 9.455 3.535 1.00 0.00 N ATOM 759 CA GLY A 47 -12.852 10.843 3.535 1.00 0.00 C ATOM 760 C GLY A 47 -14.068 11.751 3.730 1.00 0.00 C ATOM 761 O GLY A 47 -13.911 12.823 4.333 1.00 0.00 O ATOM 0 H GLY A 47 -12.869 8.888 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.127 11.011 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.353 11.081 2.595 1.00 0.00 H new ATOM 765 N SER A 48 -15.234 11.313 3.224 1.00 0.00 N ATOM 766 CA SER A 48 -16.462 12.081 3.343 1.00 0.00 C ATOM 767 C SER A 48 -16.895 12.120 4.810 1.00 0.00 C ATOM 768 O SER A 48 -16.891 13.211 5.397 1.00 0.00 O ATOM 769 CB SER A 48 -17.577 11.493 2.476 1.00 0.00 C ATOM 770 OG SER A 48 -18.400 12.506 1.905 1.00 0.00 O ATOM 0 H SER A 48 -15.340 10.427 2.729 1.00 0.00 H new ATOM 0 HA SER A 48 -16.272 13.094 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.138 10.891 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.191 10.825 3.079 1.00 0.00 H new ATOM 0 HG SER A 48 -19.098 12.090 1.358 1.00 0.00 H new ATOM 776 N THR A 49 -17.254 10.948 5.363 1.00 0.00 N ATOM 777 CA THR A 49 -17.684 10.850 6.747 1.00 0.00 C ATOM 778 C THR A 49 -16.774 11.712 7.623 1.00 0.00 C ATOM 779 O THR A 49 -17.255 12.719 8.162 1.00 0.00 O ATOM 780 CB THR A 49 -17.697 9.374 7.151 1.00 0.00 C ATOM 781 OG1 THR A 49 -19.042 8.962 6.923 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.498 9.177 8.656 1.00 0.00 C ATOM 0 H THR A 49 -17.251 10.060 4.861 1.00 0.00 H new ATOM 0 HA THR A 49 -18.696 11.232 6.880 1.00 0.00 H new ATOM 0 HB THR A 49 -16.915 8.843 6.608 1.00 0.00 H new ATOM 0 HG1 THR A 49 -19.138 8.015 7.158 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.515 8.112 8.889 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.538 9.598 8.954 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.299 9.680 9.198 1.00 0.00 H new ATOM 790 N LEU A 50 -15.497 11.308 7.744 1.00 0.00 N ATOM 791 CA LEU A 50 -14.531 12.039 8.547 1.00 0.00 C ATOM 792 C LEU A 50 -14.492 13.498 8.087 1.00 0.00 C ATOM 793 O LEU A 50 -14.517 14.388 8.948 1.00 0.00 O ATOM 794 CB LEU A 50 -13.167 11.346 8.507 1.00 0.00 C ATOM 795 CG LEU A 50 -12.738 10.635 9.793 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.793 9.472 9.487 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.127 11.624 10.787 1.00 0.00 C ATOM 0 H LEU A 50 -15.120 10.476 7.290 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.831 12.042 9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.176 10.616 7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.411 12.090 8.257 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.626 10.213 10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.503 8.984 10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.298 8.753 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.903 9.849 8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.831 11.094 11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.252 12.096 10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.862 12.388 11.039 1.00 0.00 H new ATOM 809 N GLY A 51 -14.433 13.710 6.760 1.00 0.00 N ATOM 810 CA GLY A 51 -14.392 15.047 6.195 1.00 0.00 C ATOM 811 C GLY A 51 -13.035 15.685 6.504 1.00 0.00 C ATOM 812 O GLY A 51 -12.973 16.920 6.598 1.00 0.00 O ATOM 0 H GLY A 51 -14.413 12.962 6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.550 15.004 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.196 15.655 6.611 1.00 0.00 H new ATOM 816 N LEU A 52 -11.995 14.846 6.652 1.00 0.00 N ATOM 817 CA LEU A 52 -10.656 15.325 6.947 1.00 0.00 C ATOM 818 C LEU A 52 -10.075 16.000 5.702 1.00 0.00 C ATOM 819 O LEU A 52 -10.508 17.114 5.379 1.00 0.00 O ATOM 820 CB LEU A 52 -9.789 14.189 7.492 1.00 0.00 C ATOM 821 CG LEU A 52 -9.869 13.948 9.001 1.00 0.00 C ATOM 822 CD1 LEU A 52 -9.195 12.628 9.383 1.00 0.00 C ATOM 823 CD2 LEU A 52 -9.290 15.132 9.777 1.00 0.00 C ATOM 0 H LEU A 52 -12.068 13.832 6.570 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.685 16.078 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.070 13.268 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.751 14.394 7.232 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.920 13.865 9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.266 12.482 10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.692 11.804 8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.146 12.657 9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.359 14.935 10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.245 15.272 9.501 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.853 16.034 9.537 1.00 0.00 H new ATOM 835 N ASN A 53 -9.120 15.321 5.040 1.00 0.00 N ATOM 836 CA ASN A 53 -8.488 15.851 3.845 1.00 0.00 C ATOM 837 C ASN A 53 -7.555 14.792 3.254 1.00 0.00 C ATOM 838 O ASN A 53 -6.389 14.735 3.671 1.00 0.00 O ATOM 839 CB ASN A 53 -7.651 17.091 4.166 1.00 0.00 C ATOM 840 CG ASN A 53 -8.225 18.332 3.480 1.00 0.00 C ATOM 841 OD1 ASN A 53 -8.544 19.329 4.108 1.00 0.00 O ATOM 842 ND2 ASN A 53 -8.337 18.217 2.160 1.00 0.00 N ATOM 0 H ASN A 53 -8.777 14.403 5.323 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.275 16.120 3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.624 17.247 5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.623 16.934 3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.709 18.992 1.610 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.051 17.354 1.697 1.00 0.00 H new ATOM 849 N ILE A 54 -8.077 13.989 2.310 1.00 0.00 N ATOM 850 CA ILE A 54 -7.296 12.943 1.671 1.00 0.00 C ATOM 851 C ILE A 54 -5.894 13.474 1.366 1.00 0.00 C ATOM 852 O ILE A 54 -4.925 12.726 1.560 1.00 0.00 O ATOM 853 CB ILE A 54 -8.029 12.402 0.441 1.00 0.00 C ATOM 854 CG1 ILE A 54 -8.881 11.183 0.804 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.049 12.100 -0.693 1.00 0.00 C ATOM 856 CD1 ILE A 54 -9.882 11.523 1.911 1.00 0.00 C ATOM 0 H ILE A 54 -9.040 14.054 1.980 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.177 12.093 2.342 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.708 13.174 0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.415 10.832 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.235 10.368 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.596 11.717 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.524 13.013 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.327 11.354 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.474 10.640 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.344 11.850 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.542 12.322 1.572 1.00 0.00 H new ATOM 868 N GLU A 55 -5.814 14.734 0.902 1.00 0.00 N ATOM 869 CA GLU A 55 -4.543 15.356 0.575 1.00 0.00 C ATOM 870 C GLU A 55 -3.667 15.407 1.829 1.00 0.00 C ATOM 871 O GLU A 55 -2.606 14.767 1.834 1.00 0.00 O ATOM 872 CB GLU A 55 -4.737 16.754 -0.017 1.00 0.00 C ATOM 873 CG GLU A 55 -4.167 16.833 -1.435 1.00 0.00 C ATOM 874 CD GLU A 55 -4.941 17.847 -2.280 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.362 18.883 -1.638 1.00 0.00 O ATOM 876 OE2 GLU A 55 -5.120 17.637 -3.489 1.00 0.00 O ATOM 0 H GLU A 55 -6.625 15.334 0.749 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.046 14.756 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.798 17.002 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.247 17.493 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.115 17.116 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.214 15.851 -1.905 1.00 0.00 H new ATOM 883 N ALA A 56 -4.121 16.156 2.850 1.00 0.00 N ATOM 884 CA ALA A 56 -3.385 16.288 4.095 1.00 0.00 C ATOM 885 C ALA A 56 -2.974 14.899 4.589 1.00 0.00 C ATOM 886 O ALA A 56 -1.771 14.674 4.787 1.00 0.00 O ATOM 887 CB ALA A 56 -4.298 16.874 5.174 1.00 0.00 C ATOM 0 H ALA A 56 -4.998 16.676 2.825 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.519 16.926 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.743 16.972 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.652 17.855 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.151 16.213 5.327 1.00 0.00 H new ATOM 893 N ALA A 57 -3.966 14.009 4.776 1.00 0.00 N ATOM 894 CA ALA A 57 -3.709 12.656 5.241 1.00 0.00 C ATOM 895 C ALA A 57 -2.644 12.009 4.354 1.00 0.00 C ATOM 896 O ALA A 57 -1.788 11.290 4.889 1.00 0.00 O ATOM 897 CB ALA A 57 -4.974 11.808 5.082 1.00 0.00 C ATOM 0 H ALA A 57 -4.951 14.214 4.609 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.391 12.704 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.779 10.794 5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.781 12.245 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.264 11.780 4.032 1.00 0.00 H new ATOM 903 N THR A 58 -2.717 12.272 3.037 1.00 0.00 N ATOM 904 CA THR A 58 -1.765 11.720 2.088 1.00 0.00 C ATOM 905 C THR A 58 -0.369 12.268 2.394 1.00 0.00 C ATOM 906 O THR A 58 0.604 11.511 2.259 1.00 0.00 O ATOM 907 CB THR A 58 -2.246 12.039 0.671 1.00 0.00 C ATOM 908 OG1 THR A 58 -2.981 10.881 0.285 1.00 0.00 O ATOM 909 CG2 THR A 58 -1.096 12.104 -0.336 1.00 0.00 C ATOM 0 H THR A 58 -3.431 12.866 2.616 1.00 0.00 H new ATOM 0 HA THR A 58 -1.699 10.635 2.172 1.00 0.00 H new ATOM 0 HB THR A 58 -2.780 12.989 0.674 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.353 10.449 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.491 12.333 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.394 12.882 -0.037 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.582 11.143 -0.364 1.00 0.00 H new ATOM 917 N HIS A 59 -0.300 13.550 2.794 1.00 0.00 N ATOM 918 CA HIS A 59 0.965 14.189 3.114 1.00 0.00 C ATOM 919 C HIS A 59 1.541 13.562 4.385 1.00 0.00 C ATOM 920 O HIS A 59 2.583 12.898 4.296 1.00 0.00 O ATOM 921 CB HIS A 59 0.799 15.706 3.224 1.00 0.00 C ATOM 922 CG HIS A 59 0.523 16.390 1.906 1.00 0.00 C ATOM 923 ND1 HIS A 59 -0.161 17.590 1.813 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.846 16.032 0.630 1.00 0.00 C ATOM 925 CE1 HIS A 59 -0.241 17.928 0.535 1.00 0.00 C ATOM 926 NE2 HIS A 59 0.384 16.961 -0.197 1.00 0.00 N ATOM 0 H HIS A 59 -1.114 14.156 2.900 1.00 0.00 H new ATOM 0 HA HIS A 59 1.678 14.021 2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.018 15.923 3.912 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.704 16.130 3.659 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.387 15.143 0.342 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.717 18.814 0.141 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.480 16.953 -1.212 1.00 0.00 H new ATOM 934 N VAL A 60 0.861 13.782 5.525 1.00 0.00 N ATOM 935 CA VAL A 60 1.302 13.241 6.800 1.00 0.00 C ATOM 936 C VAL A 60 1.627 11.755 6.635 1.00 0.00 C ATOM 937 O VAL A 60 2.688 11.328 7.112 1.00 0.00 O ATOM 938 CB VAL A 60 0.246 13.506 7.875 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.287 12.431 8.962 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.415 14.903 8.478 1.00 0.00 C ATOM 0 H VAL A 60 0.004 14.333 5.577 1.00 0.00 H new ATOM 0 HA VAL A 60 2.214 13.738 7.130 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.734 13.463 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.474 12.644 9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.094 11.455 8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.270 12.427 9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.348 15.065 9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.403 14.987 8.931 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.311 15.653 7.694 1.00 0.00 H new ATOM 950 N GLY A 61 0.721 11.011 5.975 1.00 0.00 N ATOM 951 CA GLY A 61 0.911 9.588 5.751 1.00 0.00 C ATOM 952 C GLY A 61 2.237 9.363 5.023 1.00 0.00 C ATOM 953 O GLY A 61 2.985 8.459 5.424 1.00 0.00 O ATOM 0 H GLY A 61 -0.148 11.383 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.910 9.055 6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.087 9.188 5.161 1.00 0.00 H new ATOM 957 N LYS A 62 2.500 10.176 3.984 1.00 0.00 N ATOM 958 CA LYS A 62 3.724 10.066 3.209 1.00 0.00 C ATOM 959 C LYS A 62 4.928 10.160 4.149 1.00 0.00 C ATOM 960 O LYS A 62 5.931 9.480 3.893 1.00 0.00 O ATOM 961 CB LYS A 62 3.741 11.100 2.083 1.00 0.00 C ATOM 962 CG LYS A 62 3.761 10.420 0.712 1.00 0.00 C ATOM 963 CD LYS A 62 5.097 10.653 0.004 1.00 0.00 C ATOM 964 CE LYS A 62 6.272 10.301 0.920 1.00 0.00 C ATOM 965 NZ LYS A 62 7.497 10.097 0.130 1.00 0.00 N ATOM 0 H LYS A 62 1.871 10.915 3.670 1.00 0.00 H new ATOM 0 HA LYS A 62 3.777 9.094 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.864 11.742 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.616 11.742 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.590 9.350 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.948 10.807 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.143 10.048 -0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.172 11.696 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.428 11.100 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.042 9.398 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.301 10.545 0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.678 9.078 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.378 10.524 -0.811 1.00 0.00 H new ATOM 979 N GLN A 63 4.806 10.988 5.202 1.00 0.00 N ATOM 980 CA GLN A 63 5.875 11.168 6.169 1.00 0.00 C ATOM 981 C GLN A 63 5.932 9.950 7.093 1.00 0.00 C ATOM 982 O GLN A 63 7.040 9.561 7.490 1.00 0.00 O ATOM 983 CB GLN A 63 5.697 12.457 6.972 1.00 0.00 C ATOM 984 CG GLN A 63 6.567 13.581 6.404 1.00 0.00 C ATOM 985 CD GLN A 63 5.703 14.724 5.866 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.663 14.322 5.143 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 5.964 15.894 6.094 1.00 0.00 N flip ATOM 0 H GLN A 63 3.970 11.540 5.395 1.00 0.00 H new ATOM 0 HA GLN A 63 6.819 11.257 5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.650 12.759 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.961 12.280 8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.233 13.958 7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.197 13.190 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.779 16.134 6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.367 16.632 5.721 1.00 0.00 H new ATOM 996 N ILE A 64 4.754 9.381 7.413 1.00 0.00 N ATOM 997 CA ILE A 64 4.671 8.220 8.282 1.00 0.00 C ATOM 998 C ILE A 64 5.351 7.030 7.601 1.00 0.00 C ATOM 999 O ILE A 64 6.076 6.294 8.286 1.00 0.00 O ATOM 1000 CB ILE A 64 3.219 7.954 8.682 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.867 8.679 9.982 1.00 0.00 C ATOM 1002 CG2 ILE A 64 2.941 6.452 8.769 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.218 7.820 11.200 1.00 0.00 C ATOM 0 H ILE A 64 3.852 9.717 7.075 1.00 0.00 H new ATOM 0 HA ILE A 64 5.205 8.402 9.215 1.00 0.00 H new ATOM 0 HB ILE A 64 2.571 8.357 7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.405 9.625 10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.803 8.916 9.994 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.902 6.290 9.055 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.126 5.991 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.597 6.003 9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.958 8.358 12.112 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.660 6.885 11.159 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.287 7.605 11.198 1.00 0.00 H new ATOM 1015 N VAL A 65 5.105 6.866 6.289 1.00 0.00 N ATOM 1016 CA VAL A 65 5.689 5.775 5.527 1.00 0.00 C ATOM 1017 C VAL A 65 7.185 6.032 5.340 1.00 0.00 C ATOM 1018 O VAL A 65 7.972 5.091 5.520 1.00 0.00 O ATOM 1019 CB VAL A 65 4.942 5.604 4.203 1.00 0.00 C ATOM 1020 CG1 VAL A 65 4.999 6.887 3.371 1.00 0.00 C ATOM 1021 CG2 VAL A 65 5.491 4.414 3.413 1.00 0.00 C ATOM 0 H VAL A 65 4.503 7.483 5.744 1.00 0.00 H new ATOM 0 HA VAL A 65 5.586 4.834 6.067 1.00 0.00 H new ATOM 0 HB VAL A 65 3.896 5.400 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.460 6.738 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.539 7.703 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.038 7.135 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.942 4.315 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.548 4.575 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.375 3.503 4.000 1.00 0.00 H new ATOM 1031 N GLU A 66 7.542 7.281 4.990 1.00 0.00 N ATOM 1032 CA GLU A 66 8.931 7.654 4.782 1.00 0.00 C ATOM 1033 C GLU A 66 9.692 7.528 6.104 1.00 0.00 C ATOM 1034 O GLU A 66 10.905 7.280 6.065 1.00 0.00 O ATOM 1035 CB GLU A 66 9.053 9.068 4.212 1.00 0.00 C ATOM 1036 CG GLU A 66 9.348 9.030 2.711 1.00 0.00 C ATOM 1037 CD GLU A 66 10.103 10.286 2.269 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.365 11.325 2.071 1.00 0.00 O ATOM 1039 OE2 GLU A 66 11.334 10.251 2.125 1.00 0.00 O ATOM 0 H GLU A 66 6.878 8.042 4.848 1.00 0.00 H new ATOM 0 HA GLU A 66 9.369 6.977 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.129 9.617 4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.848 9.605 4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.938 8.145 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.414 8.948 2.155 1.00 0.00 H new ATOM 1046 N LYS A 67 8.975 7.700 7.230 1.00 0.00 N ATOM 1047 CA LYS A 67 9.579 7.607 8.548 1.00 0.00 C ATOM 1048 C LYS A 67 9.868 6.139 8.869 1.00 0.00 C ATOM 1049 O LYS A 67 10.866 5.870 9.554 1.00 0.00 O ATOM 1050 CB LYS A 67 8.701 8.303 9.590 1.00 0.00 C ATOM 1051 CG LYS A 67 8.980 7.761 10.992 1.00 0.00 C ATOM 1052 CD LYS A 67 10.419 8.058 11.420 1.00 0.00 C ATOM 1053 CE LYS A 67 10.453 8.780 12.768 1.00 0.00 C ATOM 1054 NZ LYS A 67 10.761 10.207 12.580 1.00 0.00 N ATOM 0 H LYS A 67 7.976 7.904 7.240 1.00 0.00 H new ATOM 0 HA LYS A 67 10.534 8.132 8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.886 9.377 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.650 8.156 9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.286 8.209 11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.806 6.685 11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.981 7.127 11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.908 8.671 10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.491 8.672 13.269 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.202 8.322 13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.780 10.683 13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.689 10.304 12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.031 10.644 11.981 1.00 0.00 H new ATOM 1068 N ILE A 68 9.003 5.234 8.378 1.00 0.00 N ATOM 1069 CA ILE A 68 9.165 3.808 8.611 1.00 0.00 C ATOM 1070 C ILE A 68 10.262 3.267 7.692 1.00 0.00 C ATOM 1071 O ILE A 68 11.152 2.563 8.189 1.00 0.00 O ATOM 1072 CB ILE A 68 7.826 3.085 8.460 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.237 2.731 9.827 1.00 0.00 C ATOM 1074 CG2 ILE A 68 7.963 1.857 7.560 1.00 0.00 C ATOM 1075 CD1 ILE A 68 5.723 2.950 9.847 1.00 0.00 C ATOM 0 H ILE A 68 8.186 5.477 7.817 1.00 0.00 H new ATOM 0 HA ILE A 68 9.487 3.624 9.636 1.00 0.00 H new ATOM 0 HB ILE A 68 7.125 3.763 7.973 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.460 1.691 10.065 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.706 3.342 10.598 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.996 1.362 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.306 2.166 6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.685 1.166 7.995 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.331 2.691 10.830 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.504 3.996 9.633 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.254 2.319 9.092 1.00 0.00 H new ATOM 1087 N LEU A 69 10.179 3.602 6.392 1.00 0.00 N ATOM 1088 CA LEU A 69 11.158 3.152 5.417 1.00 0.00 C ATOM 1089 C LEU A 69 12.507 3.810 5.714 1.00 0.00 C ATOM 1090 O LEU A 69 13.541 3.194 5.415 1.00 0.00 O ATOM 1091 CB LEU A 69 10.652 3.403 3.995 1.00 0.00 C ATOM 1092 CG LEU A 69 10.739 4.846 3.497 1.00 0.00 C ATOM 1093 CD1 LEU A 69 12.090 5.116 2.830 1.00 0.00 C ATOM 1094 CD2 LEU A 69 9.568 5.180 2.571 1.00 0.00 C ATOM 0 H LEU A 69 9.438 4.185 6.003 1.00 0.00 H new ATOM 0 HA LEU A 69 11.304 2.075 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.218 2.769 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.612 3.082 3.939 1.00 0.00 H new ATOM 0 HG LEU A 69 10.666 5.508 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.125 6.149 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.891 4.946 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.217 4.445 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.655 6.212 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.584 4.512 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.630 5.054 3.111 1.00 0.00 H new ATOM 1106 N LYS A 70 12.471 5.026 6.287 1.00 0.00 N ATOM 1107 CA LYS A 70 13.682 5.756 6.620 1.00 0.00 C ATOM 1108 C LYS A 70 14.503 4.944 7.624 1.00 0.00 C ATOM 1109 O LYS A 70 15.739 5.025 7.576 1.00 0.00 O ATOM 1110 CB LYS A 70 13.340 7.167 7.104 1.00 0.00 C ATOM 1111 CG LYS A 70 14.532 7.805 7.819 1.00 0.00 C ATOM 1112 CD LYS A 70 14.071 8.889 8.795 1.00 0.00 C ATOM 1113 CE LYS A 70 13.845 8.309 10.192 1.00 0.00 C ATOM 1114 NZ LYS A 70 15.049 8.477 11.022 1.00 0.00 N ATOM 0 H LYS A 70 11.608 5.515 6.525 1.00 0.00 H new ATOM 0 HA LYS A 70 14.303 5.889 5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.047 7.785 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.485 7.127 7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.090 7.039 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.212 8.237 7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.818 9.682 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.148 9.342 8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.998 8.805 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.593 7.251 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.878 8.078 11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.849 7.983 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.272 9.489 11.109 1.00 0.00 H new ATOM 1128 N GLU A 71 13.812 4.190 8.497 1.00 0.00 N ATOM 1129 CA GLU A 71 14.473 3.373 9.500 1.00 0.00 C ATOM 1130 C GLU A 71 14.968 2.078 8.852 1.00 0.00 C ATOM 1131 O GLU A 71 15.845 1.424 9.434 1.00 0.00 O ATOM 1132 CB GLU A 71 13.548 3.076 10.682 1.00 0.00 C ATOM 1133 CG GLU A 71 12.393 4.077 10.739 1.00 0.00 C ATOM 1134 CD GLU A 71 11.729 4.071 12.118 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.888 3.113 12.314 1.00 0.00 O ATOM 1136 OE2 GLU A 71 12.015 4.946 12.948 1.00 0.00 O ATOM 0 H GLU A 71 12.794 4.137 8.519 1.00 0.00 H new ATOM 0 HA GLU A 71 15.325 3.926 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.153 2.064 10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.115 3.117 11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.763 5.077 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.655 3.830 9.975 1.00 0.00 H new ATOM 1199 N SER B 3 4.916 -9.774 -17.136 1.00 0.00 N ATOM 1200 CA SER B 3 4.975 -8.422 -17.665 1.00 0.00 C ATOM 1201 C SER B 3 4.374 -7.453 -16.645 1.00 0.00 C ATOM 1202 O SER B 3 5.067 -7.115 -15.675 1.00 0.00 O ATOM 1203 CB SER B 3 4.237 -8.311 -19.001 1.00 0.00 C ATOM 1204 OG SER B 3 4.703 -9.266 -19.949 1.00 0.00 O ATOM 0 HA SER B 3 6.019 -8.166 -17.845 1.00 0.00 H new ATOM 0 HB2 SER B 3 3.169 -8.454 -18.838 1.00 0.00 H new ATOM 0 HB3 SER B 3 4.367 -7.307 -19.404 1.00 0.00 H new ATOM 0 HG SER B 3 4.982 -10.081 -19.482 1.00 0.00 H new ATOM 1210 N ASN B 4 3.118 -7.034 -16.879 1.00 0.00 N ATOM 1211 CA ASN B 4 2.434 -6.113 -15.987 1.00 0.00 C ATOM 1212 C ASN B 4 2.217 -6.790 -14.632 1.00 0.00 C ATOM 1213 O ASN B 4 2.233 -6.086 -13.612 1.00 0.00 O ATOM 1214 CB ASN B 4 1.064 -5.720 -16.545 1.00 0.00 C ATOM 1215 CG ASN B 4 0.935 -4.201 -16.663 1.00 0.00 C ATOM 1216 OD1 ASN B 4 1.912 -3.472 -16.724 1.00 0.00 O ATOM 1217 ND2 ASN B 4 -0.321 -3.765 -16.692 1.00 0.00 N ATOM 0 H ASN B 4 2.564 -7.326 -17.684 1.00 0.00 H new ATOM 0 HA ASN B 4 3.051 -5.220 -15.886 1.00 0.00 H new ATOM 0 HB2 ASN B 4 0.921 -6.178 -17.524 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.279 -6.106 -15.895 1.00 0.00 H new ATOM 0 HD21 ASN B 4 -0.512 -2.766 -16.769 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -1.093 -4.429 -16.637 1.00 0.00 H new ATOM 1224 N THR B 5 2.019 -8.120 -14.648 1.00 0.00 N ATOM 1225 CA THR B 5 1.801 -8.882 -13.430 1.00 0.00 C ATOM 1226 C THR B 5 3.024 -8.742 -12.522 1.00 0.00 C ATOM 1227 O THR B 5 2.850 -8.368 -11.352 1.00 0.00 O ATOM 1228 CB THR B 5 1.487 -10.330 -13.809 1.00 0.00 C ATOM 1229 OG1 THR B 5 0.452 -10.218 -14.782 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.837 -11.107 -12.662 1.00 0.00 C ATOM 0 H THR B 5 2.008 -8.681 -15.500 1.00 0.00 H new ATOM 0 HA THR B 5 0.949 -8.503 -12.866 1.00 0.00 H new ATOM 0 HB THR B 5 2.405 -10.832 -14.114 1.00 0.00 H new ATOM 0 HG1 THR B 5 0.188 -11.112 -15.084 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.635 -12.129 -12.983 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.511 -11.123 -11.805 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.098 -10.624 -12.379 1.00 0.00 H new ATOM 1238 N VAL B 6 4.217 -9.041 -13.067 1.00 0.00 N ATOM 1239 CA VAL B 6 5.455 -8.949 -12.311 1.00 0.00 C ATOM 1240 C VAL B 6 5.490 -7.617 -11.560 1.00 0.00 C ATOM 1241 O VAL B 6 5.812 -7.622 -10.363 1.00 0.00 O ATOM 1242 CB VAL B 6 6.652 -9.144 -13.242 1.00 0.00 C ATOM 1243 CG1 VAL B 6 7.352 -7.813 -13.521 1.00 0.00 C ATOM 1244 CG2 VAL B 6 7.632 -10.169 -12.667 1.00 0.00 C ATOM 0 H VAL B 6 4.338 -9.348 -14.032 1.00 0.00 H new ATOM 0 HA VAL B 6 5.509 -9.743 -11.566 1.00 0.00 H new ATOM 0 HB VAL B 6 6.279 -9.532 -14.190 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.200 -7.980 -14.186 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.651 -7.125 -13.993 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.705 -7.384 -12.583 1.00 0.00 H new ATOM 0 HG21 VAL B 6 8.474 -10.289 -13.348 1.00 0.00 H new ATOM 0 HG22 VAL B 6 7.995 -9.823 -11.699 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.126 -11.126 -12.543 1.00 0.00 H new ATOM 1254 N SER B 7 5.166 -6.519 -12.267 1.00 0.00 N ATOM 1255 CA SER B 7 5.163 -5.193 -11.671 1.00 0.00 C ATOM 1256 C SER B 7 4.217 -5.182 -10.469 1.00 0.00 C ATOM 1257 O SER B 7 4.679 -4.881 -9.358 1.00 0.00 O ATOM 1258 CB SER B 7 4.745 -4.125 -12.684 1.00 0.00 C ATOM 1259 OG SER B 7 5.870 -3.529 -13.325 1.00 0.00 O ATOM 0 H SER B 7 4.904 -6.536 -13.253 1.00 0.00 H new ATOM 0 HA SER B 7 6.176 -4.957 -11.345 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.094 -4.573 -13.435 1.00 0.00 H new ATOM 0 HB3 SER B 7 4.164 -3.353 -12.179 1.00 0.00 H new ATOM 0 HG SER B 7 5.564 -2.974 -14.073 1.00 0.00 H new ATOM 1265 N SER B 8 2.933 -5.504 -10.708 1.00 0.00 N ATOM 1266 CA SER B 8 1.936 -5.531 -9.652 1.00 0.00 C ATOM 1267 C SER B 8 2.490 -6.301 -8.452 1.00 0.00 C ATOM 1268 O SER B 8 2.257 -5.868 -7.314 1.00 0.00 O ATOM 1269 CB SER B 8 0.629 -6.165 -10.131 1.00 0.00 C ATOM 1270 OG SER B 8 -0.113 -6.735 -9.058 1.00 0.00 O ATOM 0 H SER B 8 2.572 -5.748 -11.630 1.00 0.00 H new ATOM 0 HA SER B 8 1.714 -4.504 -9.360 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.022 -5.410 -10.631 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.850 -6.936 -10.869 1.00 0.00 H new ATOM 0 HG SER B 8 -0.299 -6.046 -8.387 1.00 0.00 H new ATOM 1276 N PHE B 9 3.202 -7.410 -8.724 1.00 0.00 N ATOM 1277 CA PHE B 9 3.782 -8.230 -7.675 1.00 0.00 C ATOM 1278 C PHE B 9 4.742 -7.379 -6.841 1.00 0.00 C ATOM 1279 O PHE B 9 4.521 -7.257 -5.627 1.00 0.00 O ATOM 1280 CB PHE B 9 4.521 -9.423 -8.312 1.00 0.00 C ATOM 1281 CG PHE B 9 4.259 -10.764 -7.639 1.00 0.00 C ATOM 1282 CD1 PHE B 9 3.172 -11.565 -8.058 1.00 0.00 C ATOM 1283 CD2 PHE B 9 5.103 -11.219 -6.600 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.930 -12.811 -7.440 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.860 -12.464 -5.983 1.00 0.00 C ATOM 1286 CZ PHE B 9 3.774 -13.260 -6.402 1.00 0.00 C ATOM 0 H PHE B 9 3.383 -7.749 -9.669 1.00 0.00 H new ATOM 0 HA PHE B 9 2.999 -8.614 -7.021 1.00 0.00 H new ATOM 0 HB2 PHE B 9 4.232 -9.495 -9.360 1.00 0.00 H new ATOM 0 HB3 PHE B 9 5.592 -9.224 -8.290 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.525 -11.223 -8.853 1.00 0.00 H new ATOM 0 HD2 PHE B 9 5.936 -10.612 -6.278 1.00 0.00 H new ATOM 0 HE1 PHE B 9 2.099 -13.421 -7.762 1.00 0.00 H new ATOM 0 HE2 PHE B 9 5.506 -12.808 -5.189 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.588 -14.213 -5.929 1.00 0.00 H new ATOM 1296 N GLN B 10 5.773 -6.816 -7.498 1.00 0.00 N ATOM 1297 CA GLN B 10 6.756 -5.986 -6.821 1.00 0.00 C ATOM 1298 C GLN B 10 6.036 -4.998 -5.903 1.00 0.00 C ATOM 1299 O GLN B 10 6.311 -5.009 -4.693 1.00 0.00 O ATOM 1300 CB GLN B 10 7.653 -5.253 -7.820 1.00 0.00 C ATOM 1301 CG GLN B 10 9.010 -5.948 -7.952 1.00 0.00 C ATOM 1302 CD GLN B 10 9.418 -6.080 -9.421 1.00 0.00 C ATOM 1303 OE1 GLN B 10 9.281 -5.164 -10.215 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.924 -7.268 -9.736 1.00 0.00 N ATOM 0 H GLN B 10 5.937 -6.928 -8.498 1.00 0.00 H new ATOM 0 HA GLN B 10 7.404 -6.627 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.164 -5.215 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN B 10 7.798 -4.223 -7.496 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.767 -5.381 -7.410 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.963 -6.936 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN B 10 10.011 -7.991 -9.022 1.00 0.00 H new ATOM 0 HE22 GLN B 10 10.226 -7.457 -10.692 1.00 0.00 H new ATOM 1313 N VAL B 11 5.142 -4.176 -6.483 1.00 0.00 N ATOM 1314 CA VAL B 11 4.392 -3.193 -5.721 1.00 0.00 C ATOM 1315 C VAL B 11 3.660 -3.892 -4.573 1.00 0.00 C ATOM 1316 O VAL B 11 3.554 -3.297 -3.491 1.00 0.00 O ATOM 1317 CB VAL B 11 3.452 -2.419 -6.646 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.334 -1.742 -5.852 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.224 -1.400 -7.486 1.00 0.00 C ATOM 0 H VAL B 11 4.930 -4.183 -7.481 1.00 0.00 H new ATOM 0 HA VAL B 11 5.066 -2.460 -5.278 1.00 0.00 H new ATOM 0 HB VAL B 11 2.991 -3.134 -7.328 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.680 -1.199 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL B 11 1.756 -2.498 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL B 11 2.768 -1.046 -5.134 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.531 -0.864 -8.135 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.727 -0.692 -6.827 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.965 -1.917 -8.095 1.00 0.00 H new ATOM 1329 N ASP B 12 3.179 -5.122 -4.828 1.00 0.00 N ATOM 1330 CA ASP B 12 2.465 -5.892 -3.824 1.00 0.00 C ATOM 1331 C ASP B 12 3.395 -6.169 -2.642 1.00 0.00 C ATOM 1332 O ASP B 12 3.140 -5.635 -1.553 1.00 0.00 O ATOM 1333 CB ASP B 12 2.004 -7.239 -4.387 1.00 0.00 C ATOM 1334 CG ASP B 12 0.729 -7.801 -3.756 1.00 0.00 C ATOM 1335 OD1 ASP B 12 0.228 -7.276 -2.752 1.00 0.00 O ATOM 1336 OD2 ASP B 12 0.240 -8.839 -4.348 1.00 0.00 O ATOM 0 H ASP B 12 3.278 -5.595 -5.726 1.00 0.00 H new ATOM 0 HA ASP B 12 1.595 -5.314 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.844 -7.132 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP B 12 2.807 -7.965 -4.256 1.00 0.00 H new ATOM 1341 N CYS B 13 4.439 -6.983 -2.875 1.00 0.00 N ATOM 1342 CA CYS B 13 5.397 -7.325 -1.837 1.00 0.00 C ATOM 1343 C CYS B 13 5.787 -6.059 -1.072 1.00 0.00 C ATOM 1344 O CYS B 13 5.675 -6.057 0.163 1.00 0.00 O ATOM 1345 CB CYS B 13 6.619 -8.035 -2.425 1.00 0.00 C ATOM 1346 SG CYS B 13 7.802 -6.945 -3.267 1.00 0.00 S ATOM 0 H CYS B 13 4.632 -7.412 -3.780 1.00 0.00 H new ATOM 0 HA CYS B 13 4.937 -8.024 -1.139 1.00 0.00 H new ATOM 0 HB2 CYS B 13 7.138 -8.560 -1.623 1.00 0.00 H new ATOM 0 HB3 CYS B 13 6.277 -8.791 -3.132 1.00 0.00 H new ATOM 0 HG CYS B 13 7.166 -6.176 -4.100 1.00 0.00 H new ATOM 1352 N PHE B 14 6.230 -5.023 -1.807 1.00 0.00 N ATOM 1353 CA PHE B 14 6.630 -3.764 -1.203 1.00 0.00 C ATOM 1354 C PHE B 14 5.568 -3.328 -0.191 1.00 0.00 C ATOM 1355 O PHE B 14 5.911 -3.159 0.988 1.00 0.00 O ATOM 1356 CB PHE B 14 6.803 -2.702 -2.306 1.00 0.00 C ATOM 1357 CG PHE B 14 6.539 -1.272 -1.857 1.00 0.00 C ATOM 1358 CD1 PHE B 14 7.270 -0.720 -0.781 1.00 0.00 C ATOM 1359 CD2 PHE B 14 5.565 -0.484 -2.517 1.00 0.00 C ATOM 1360 CE1 PHE B 14 7.031 0.607 -0.365 1.00 0.00 C ATOM 1361 CE2 PHE B 14 5.327 0.843 -2.100 1.00 0.00 C ATOM 1362 CZ PHE B 14 6.058 1.389 -1.025 1.00 0.00 C ATOM 0 H PHE B 14 6.316 -5.045 -2.823 1.00 0.00 H new ATOM 0 HA PHE B 14 7.580 -3.883 -0.682 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.819 -2.765 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.130 -2.940 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE B 14 8.015 -1.316 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.003 -0.899 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.592 1.024 0.458 1.00 0.00 H new ATOM 0 HE2 PHE B 14 4.583 1.442 -2.605 1.00 0.00 H new ATOM 0 HZ PHE B 14 5.874 2.404 -0.707 1.00 0.00 H new ATOM 1372 N LEU B 15 4.320 -3.159 -0.664 1.00 0.00 N ATOM 1373 CA LEU B 15 3.221 -2.747 0.193 1.00 0.00 C ATOM 1374 C LEU B 15 3.250 -3.571 1.482 1.00 0.00 C ATOM 1375 O LEU B 15 3.367 -2.973 2.561 1.00 0.00 O ATOM 1376 CB LEU B 15 1.893 -2.831 -0.562 1.00 0.00 C ATOM 1377 CG LEU B 15 0.714 -2.090 0.071 1.00 0.00 C ATOM 1378 CD1 LEU B 15 -0.583 -2.885 -0.087 1.00 0.00 C ATOM 1379 CD2 LEU B 15 1.003 -1.747 1.534 1.00 0.00 C ATOM 0 H LEU B 15 4.059 -3.305 -1.639 1.00 0.00 H new ATOM 0 HA LEU B 15 3.332 -1.701 0.480 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.044 -2.440 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.623 -3.882 -0.666 1.00 0.00 H new ATOM 0 HG LEU B 15 0.579 -1.147 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.405 -2.335 0.372 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.792 -3.033 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.478 -3.854 0.401 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.149 -1.221 1.960 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.180 -2.665 2.095 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.886 -1.111 1.591 1.00 0.00 H new ATOM 1391 N TRP B 16 3.142 -4.905 1.347 1.00 0.00 N ATOM 1392 CA TRP B 16 3.155 -5.798 2.493 1.00 0.00 C ATOM 1393 C TRP B 16 4.191 -5.307 3.506 1.00 0.00 C ATOM 1394 O TRP B 16 3.810 -5.028 4.652 1.00 0.00 O ATOM 1395 CB TRP B 16 3.399 -7.240 2.039 1.00 0.00 C ATOM 1396 CG TRP B 16 3.423 -8.256 3.181 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.403 -8.979 3.664 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.570 -8.636 3.970 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.808 -9.794 4.702 1.00 0.00 N ATOM 1400 CE2 TRP B 16 4.167 -9.580 4.894 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.904 -8.199 3.906 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 5.037 -10.164 5.823 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.761 -8.793 4.840 1.00 0.00 C ATOM 1404 CH2 TRP B 16 6.371 -9.743 5.777 1.00 0.00 C ATOM 0 H TRP B 16 3.045 -5.378 0.448 1.00 0.00 H new ATOM 0 HA TRP B 16 2.185 -5.791 2.989 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.621 -7.524 1.330 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.348 -7.286 1.505 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.392 -8.930 3.288 1.00 0.00 H new ATOM 0 HE1 TRP B 16 2.218 -10.436 5.231 1.00 0.00 H new ATOM 0 HE3 TRP B 16 6.242 -7.462 3.192 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 4.697 -10.900 6.537 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.798 -8.492 4.832 1.00 0.00 H new ATOM 0 HH2 TRP B 16 7.094 -10.154 6.466 1.00 0.00 H new ATOM 1415 N HIS B 17 5.461 -5.211 3.071 1.00 0.00 N ATOM 1416 CA HIS B 17 6.539 -4.758 3.933 1.00 0.00 C ATOM 1417 C HIS B 17 6.101 -3.487 4.664 1.00 0.00 C ATOM 1418 O HIS B 17 6.215 -3.447 5.898 1.00 0.00 O ATOM 1419 CB HIS B 17 7.833 -4.570 3.140 1.00 0.00 C ATOM 1420 CG HIS B 17 8.552 -5.860 2.824 1.00 0.00 C ATOM 1421 ND1 HIS B 17 9.685 -6.271 3.503 1.00 0.00 N ATOM 1422 CD2 HIS B 17 8.287 -6.825 1.896 1.00 0.00 C ATOM 1423 CE1 HIS B 17 10.077 -7.433 2.997 1.00 0.00 C ATOM 1424 NE2 HIS B 17 9.209 -7.773 2.001 1.00 0.00 N ATOM 0 H HIS B 17 5.754 -5.445 2.122 1.00 0.00 H new ATOM 0 HA HIS B 17 6.755 -5.518 4.684 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.604 -4.056 2.207 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.503 -3.922 3.705 1.00 0.00 H new ATOM 0 HD1 HIS B 17 10.141 -5.767 4.263 1.00 0.00 H new ATOM 0 HD2 HIS B 17 7.466 -6.818 1.195 1.00 0.00 H new ATOM 0 HE1 HIS B 17 10.933 -8.009 3.317 1.00 0.00 H new ATOM 1432 N VAL B 18 5.616 -2.491 3.901 1.00 0.00 N ATOM 1433 CA VAL B 18 5.167 -1.233 4.472 1.00 0.00 C ATOM 1434 C VAL B 18 4.108 -1.512 5.541 1.00 0.00 C ATOM 1435 O VAL B 18 4.062 -0.770 6.533 1.00 0.00 O ATOM 1436 CB VAL B 18 4.666 -0.304 3.363 1.00 0.00 C ATOM 1437 CG1 VAL B 18 3.806 0.822 3.939 1.00 0.00 C ATOM 1438 CG2 VAL B 18 5.834 0.259 2.551 1.00 0.00 C ATOM 0 H VAL B 18 5.530 -2.545 2.886 1.00 0.00 H new ATOM 0 HA VAL B 18 5.995 -0.718 4.960 1.00 0.00 H new ATOM 0 HB VAL B 18 4.042 -0.891 2.690 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.463 1.468 3.131 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.945 0.395 4.453 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.397 1.407 4.644 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.451 0.916 1.770 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.495 0.824 3.208 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.389 -0.561 2.096 1.00 0.00 H new ATOM 1448 N ARG B 19 3.292 -2.559 5.322 1.00 0.00 N ATOM 1449 CA ARG B 19 2.246 -2.929 6.259 1.00 0.00 C ATOM 1450 C ARG B 19 2.883 -3.517 7.520 1.00 0.00 C ATOM 1451 O ARG B 19 2.644 -2.973 8.610 1.00 0.00 O ATOM 1452 CB ARG B 19 1.285 -3.955 5.656 1.00 0.00 C ATOM 1453 CG ARG B 19 0.889 -3.564 4.231 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.479 -4.143 3.863 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.493 -3.706 4.848 1.00 0.00 N ATOM 1456 CZ ARG B 19 -2.754 -4.185 4.896 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -3.132 -5.114 4.009 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -3.616 -3.737 5.820 1.00 0.00 N ATOM 0 H ARG B 19 3.347 -3.158 4.498 1.00 0.00 H new ATOM 0 HA ARG B 19 1.676 -2.032 6.500 1.00 0.00 H new ATOM 0 HB2 ARG B 19 1.755 -4.939 5.650 1.00 0.00 H new ATOM 0 HB3 ARG B 19 0.393 -4.032 6.277 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.864 -2.478 4.142 1.00 0.00 H new ATOM 0 HG3 ARG B 19 1.641 -3.924 3.529 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.765 -3.815 2.864 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.428 -5.232 3.839 1.00 0.00 H new ATOM 0 HE ARG B 19 -1.223 -3.000 5.532 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.470 -5.450 3.309 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -4.082 -5.485 4.033 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -3.320 -3.030 6.493 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -4.567 -4.104 5.850 1.00 0.00 H new ATOM 1472 N LYS B 20 3.667 -4.596 7.353 1.00 0.00 N ATOM 1473 CA LYS B 20 4.328 -5.249 8.470 1.00 0.00 C ATOM 1474 C LYS B 20 4.946 -4.186 9.382 1.00 0.00 C ATOM 1475 O LYS B 20 4.800 -4.304 10.607 1.00 0.00 O ATOM 1476 CB LYS B 20 5.334 -6.286 7.965 1.00 0.00 C ATOM 1477 CG LYS B 20 6.020 -6.997 9.132 1.00 0.00 C ATOM 1478 CD LYS B 20 6.886 -8.158 8.636 1.00 0.00 C ATOM 1479 CE LYS B 20 7.559 -8.879 9.805 1.00 0.00 C ATOM 1480 NZ LYS B 20 7.891 -7.926 10.876 1.00 0.00 N ATOM 0 H LYS B 20 3.852 -5.027 6.447 1.00 0.00 H new ATOM 0 HA LYS B 20 3.606 -5.804 9.069 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.824 -7.017 7.338 1.00 0.00 H new ATOM 0 HB3 LYS B 20 6.083 -5.798 7.341 1.00 0.00 H new ATOM 0 HG2 LYS B 20 6.638 -6.287 9.682 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.268 -7.371 9.827 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.270 -8.862 8.076 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.645 -7.783 7.950 1.00 0.00 H new ATOM 0 HE2 LYS B 20 6.897 -9.654 10.192 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.465 -9.377 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 8.561 -8.367 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 8.322 -7.075 10.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 7.024 -7.662 11.386 1.00 0.00 H new ATOM 1494 N GLN B 21 5.613 -3.187 8.777 1.00 0.00 N ATOM 1495 CA GLN B 21 6.245 -2.116 9.529 1.00 0.00 C ATOM 1496 C GLN B 21 5.164 -1.254 10.185 1.00 0.00 C ATOM 1497 O GLN B 21 5.345 -0.868 11.350 1.00 0.00 O ATOM 1498 CB GLN B 21 7.159 -1.270 8.642 1.00 0.00 C ATOM 1499 CG GLN B 21 8.631 -1.530 8.965 1.00 0.00 C ATOM 1500 CD GLN B 21 8.983 -3.006 8.766 1.00 0.00 C ATOM 1501 OE1 GLN B 21 8.386 -3.568 7.719 1.00 0.00 O flip ATOM 1502 NE2 GLN B 21 9.747 -3.595 9.513 1.00 0.00 N flip ATOM 0 H GLN B 21 5.722 -3.109 7.766 1.00 0.00 H new ATOM 0 HA GLN B 21 6.874 -2.555 10.303 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.967 -1.499 7.594 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.933 -0.213 8.784 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.262 -0.912 8.326 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.838 -1.239 9.995 1.00 0.00 H new ATOM 0 HE21 GLN B 21 10.172 -3.103 10.299 1.00 0.00 H new ATOM 0 HE22 GLN B 21 9.961 -4.579 9.351 1.00 0.00 H new ATOM 1511 N VAL B 22 4.081 -0.973 9.439 1.00 0.00 N ATOM 1512 CA VAL B 22 2.986 -0.165 9.945 1.00 0.00 C ATOM 1513 C VAL B 22 2.479 -0.764 11.258 1.00 0.00 C ATOM 1514 O VAL B 22 2.286 -0.003 12.218 1.00 0.00 O ATOM 1515 CB VAL B 22 1.891 -0.043 8.883 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.510 -0.307 9.486 1.00 0.00 C ATOM 1517 CG2 VAL B 22 1.939 1.325 8.201 1.00 0.00 C ATOM 0 H VAL B 22 3.952 -1.300 8.482 1.00 0.00 H new ATOM 0 HA VAL B 22 3.327 0.848 10.160 1.00 0.00 H new ATOM 0 HB VAL B 22 2.075 -0.803 8.123 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.250 -0.214 8.710 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.481 -1.314 9.903 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.313 0.418 10.275 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.151 1.385 7.451 1.00 0.00 H new ATOM 0 HG22 VAL B 22 1.793 2.108 8.945 1.00 0.00 H new ATOM 0 HG23 VAL B 22 2.908 1.458 7.720 1.00 0.00 H new ATOM 1527 N VAL B 23 2.279 -2.094 11.276 1.00 0.00 N ATOM 1528 CA VAL B 23 1.801 -2.786 12.461 1.00 0.00 C ATOM 1529 C VAL B 23 2.949 -2.927 13.462 1.00 0.00 C ATOM 1530 O VAL B 23 2.681 -2.909 14.673 1.00 0.00 O ATOM 1531 CB VAL B 23 1.179 -4.128 12.069 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.363 -4.711 13.224 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.324 -3.989 10.807 1.00 0.00 C ATOM 0 H VAL B 23 2.445 -2.703 10.475 1.00 0.00 H new ATOM 0 HA VAL B 23 1.015 -2.210 12.949 1.00 0.00 H new ATOM 0 HB VAL B 23 1.990 -4.822 11.848 1.00 0.00 H new ATOM 0 HG11 VAL B 23 -0.068 -5.665 12.920 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.012 -4.865 14.086 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -0.436 -4.020 13.490 1.00 0.00 H new ATOM 0 HG21 VAL B 23 -0.106 -4.957 10.550 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.477 -3.272 10.987 1.00 0.00 H new ATOM 0 HG23 VAL B 23 0.946 -3.638 9.983 1.00 0.00 H new ATOM 1543 N ASP B 24 4.183 -3.065 12.946 1.00 0.00 N ATOM 1544 CA ASP B 24 5.358 -3.208 13.789 1.00 0.00 C ATOM 1545 C ASP B 24 5.422 -2.037 14.771 1.00 0.00 C ATOM 1546 O ASP B 24 6.120 -2.158 15.789 1.00 0.00 O ATOM 1547 CB ASP B 24 6.640 -3.196 12.954 1.00 0.00 C ATOM 1548 CG ASP B 24 7.881 -3.741 13.665 1.00 0.00 C ATOM 1549 OD1 ASP B 24 7.981 -4.946 13.941 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.781 -2.859 13.942 1.00 0.00 O ATOM 0 H ASP B 24 4.381 -3.079 11.945 1.00 0.00 H new ATOM 0 HA ASP B 24 5.280 -4.159 14.317 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.472 -3.781 12.050 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.841 -2.172 12.639 1.00 0.00 H new ATOM 1555 N GLN B 25 4.706 -0.943 14.452 1.00 0.00 N ATOM 1556 CA GLN B 25 4.683 0.236 15.299 1.00 0.00 C ATOM 1557 C GLN B 25 3.336 0.313 16.022 1.00 0.00 C ATOM 1558 O GLN B 25 3.249 1.026 17.031 1.00 0.00 O ATOM 1559 CB GLN B 25 4.948 1.511 14.496 1.00 0.00 C ATOM 1560 CG GLN B 25 6.183 2.245 15.024 1.00 0.00 C ATOM 1561 CD GLN B 25 7.015 2.816 13.874 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.956 3.992 13.555 1.00 0.00 O ATOM 1563 NE2 GLN B 25 7.791 1.919 13.272 1.00 0.00 N ATOM 0 H GLN B 25 4.138 -0.863 13.608 1.00 0.00 H new ATOM 0 HA GLN B 25 5.483 0.153 16.035 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.091 1.260 13.445 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.079 2.167 14.551 1.00 0.00 H new ATOM 0 HG2 GLN B 25 5.874 3.051 15.690 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.793 1.561 15.614 1.00 0.00 H new ATOM 0 HE21 GLN B 25 7.792 0.950 13.590 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.385 2.200 12.492 1.00 0.00 H new ATOM 1572 N GLU B 26 2.330 -0.410 15.498 1.00 0.00 N ATOM 1573 CA GLU B 26 1.003 -0.423 16.089 1.00 0.00 C ATOM 1574 C GLU B 26 0.309 0.911 15.803 1.00 0.00 C ATOM 1575 O GLU B 26 -0.448 1.379 16.666 1.00 0.00 O ATOM 1576 CB GLU B 26 1.060 -0.700 17.593 1.00 0.00 C ATOM 1577 CG GLU B 26 0.068 -1.796 17.986 1.00 0.00 C ATOM 1578 CD GLU B 26 -0.887 -1.306 19.077 1.00 0.00 C ATOM 1579 OE1 GLU B 26 -0.514 -0.444 19.886 1.00 0.00 O ATOM 1580 OE2 GLU B 26 -2.055 -1.853 19.064 1.00 0.00 O ATOM 0 H GLU B 26 2.423 -0.990 14.664 1.00 0.00 H new ATOM 0 HA GLU B 26 0.428 -1.232 15.639 1.00 0.00 H new ATOM 0 HB2 GLU B 26 2.070 -1.001 17.873 1.00 0.00 H new ATOM 0 HB3 GLU B 26 0.835 0.214 18.144 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -0.503 -2.106 17.111 1.00 0.00 H new ATOM 0 HG3 GLU B 26 0.611 -2.673 18.340 1.00 0.00 H new ATOM 1587 N LEU B 27 0.576 1.487 14.617 1.00 0.00 N ATOM 1588 CA LEU B 27 -0.018 2.752 14.225 1.00 0.00 C ATOM 1589 C LEU B 27 -1.333 2.487 13.487 1.00 0.00 C ATOM 1590 O LEU B 27 -2.067 3.451 13.224 1.00 0.00 O ATOM 1591 CB LEU B 27 0.980 3.587 13.421 1.00 0.00 C ATOM 1592 CG LEU B 27 1.267 3.103 11.998 1.00 0.00 C ATOM 1593 CD1 LEU B 27 0.290 3.726 10.999 1.00 0.00 C ATOM 1594 CD2 LEU B 27 2.724 3.365 11.612 1.00 0.00 C ATOM 0 H LEU B 27 1.203 1.085 13.920 1.00 0.00 H new ATOM 0 HA LEU B 27 -0.260 3.347 15.105 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.607 4.610 13.367 1.00 0.00 H new ATOM 0 HB3 LEU B 27 1.921 3.619 13.969 1.00 0.00 H new ATOM 0 HG LEU B 27 1.115 2.024 11.968 1.00 0.00 H new ATOM 0 HD11 LEU B 27 0.516 3.365 9.996 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.729 3.446 11.264 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.386 4.811 11.025 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.901 3.011 10.596 1.00 0.00 H new ATOM 0 HD22 LEU B 27 2.928 4.435 11.664 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.383 2.836 12.300 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.599 1.207 13.173 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.813 0.822 12.473 1.00 0.00 C ATOM 1608 C GLY B 28 -4.018 1.055 13.387 1.00 0.00 C ATOM 1609 O GLY B 28 -3.959 1.971 14.219 1.00 0.00 O ATOM 0 H GLY B 28 -0.981 0.428 13.399 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.919 1.404 11.557 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.761 -0.227 12.180 1.00 0.00 H new ATOM 1613 N ASP B 29 -5.070 0.234 13.216 1.00 0.00 N ATOM 1614 CA ASP B 29 -6.275 0.350 14.019 1.00 0.00 C ATOM 1615 C ASP B 29 -6.751 -1.048 14.421 1.00 0.00 C ATOM 1616 O ASP B 29 -7.333 -1.182 15.508 1.00 0.00 O ATOM 1617 CB ASP B 29 -7.400 1.023 13.230 1.00 0.00 C ATOM 1618 CG ASP B 29 -8.586 1.496 14.072 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.552 1.141 15.312 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -9.498 2.170 13.569 1.00 0.00 O ATOM 0 H ASP B 29 -5.098 -0.515 12.524 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.039 0.952 14.896 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.988 1.880 12.697 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.764 0.324 12.477 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.498 -2.044 13.554 1.00 0.00 N ATOM 1626 CA ALA B 30 -6.898 -3.416 13.816 1.00 0.00 C ATOM 1627 C ALA B 30 -6.994 -4.177 12.493 1.00 0.00 C ATOM 1628 O ALA B 30 -6.613 -5.356 12.463 1.00 0.00 O ATOM 1629 CB ALA B 30 -8.301 -3.435 14.426 1.00 0.00 C ATOM 0 H ALA B 30 -6.016 -1.912 12.665 1.00 0.00 H new ATOM 0 HA ALA B 30 -6.167 -3.867 14.487 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -8.599 -4.465 14.622 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -8.299 -2.874 15.361 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -9.006 -2.979 13.731 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.492 -3.500 11.444 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.649 -4.076 10.119 1.00 0.00 C ATOM 1637 C PRO B 31 -6.300 -4.195 9.409 1.00 0.00 C ATOM 1638 O PRO B 31 -6.170 -5.058 8.528 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.620 -3.153 9.400 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.609 -1.849 10.181 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.932 -2.110 11.517 1.00 0.00 C ATOM 0 HA PRO B 31 -8.036 -5.095 10.147 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.314 -2.992 8.366 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.621 -3.584 9.372 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -8.075 -1.077 9.627 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.626 -1.487 10.333 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -7.090 -1.436 11.673 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.621 -1.956 12.347 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.337 -3.340 9.798 1.00 0.00 N ATOM 1650 CA PHE B 32 -4.012 -3.349 9.203 1.00 0.00 C ATOM 1651 C PHE B 32 -3.273 -4.618 9.633 1.00 0.00 C ATOM 1652 O PHE B 32 -2.585 -5.214 8.792 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.244 -2.091 9.652 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.367 -0.901 8.708 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.284 -0.942 7.634 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.571 0.250 8.904 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.402 0.159 6.760 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.689 1.352 8.030 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.605 1.306 6.958 1.00 0.00 C ATOM 0 H PHE B 32 -5.464 -2.636 10.525 1.00 0.00 H new ATOM 0 HA PHE B 32 -4.089 -3.342 8.116 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.603 -1.795 10.638 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.189 -2.345 9.760 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -4.896 -1.819 7.482 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.870 0.287 9.725 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -5.103 0.124 5.939 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -2.078 2.230 8.182 1.00 0.00 H new ATOM 0 HZ PHE B 32 -3.696 2.149 6.289 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.428 -5.000 10.914 1.00 0.00 N ATOM 1670 CA LEU B 33 -2.780 -6.186 11.447 1.00 0.00 C ATOM 1671 C LEU B 33 -3.480 -7.433 10.902 1.00 0.00 C ATOM 1672 O LEU B 33 -2.782 -8.341 10.427 1.00 0.00 O ATOM 1673 CB LEU B 33 -2.731 -6.128 12.976 1.00 0.00 C ATOM 1674 CG LEU B 33 -1.953 -7.251 13.664 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.399 -6.787 15.013 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.811 -8.510 13.800 1.00 0.00 C ATOM 0 H LEU B 33 -4.000 -4.495 11.591 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.742 -6.233 11.118 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.291 -5.175 13.270 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -3.754 -6.137 13.353 1.00 0.00 H new ATOM 0 HG LEU B 33 -1.100 -7.509 13.036 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.850 -7.604 15.481 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.729 -5.941 14.860 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -2.223 -6.485 15.660 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -2.233 -9.292 14.292 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -3.697 -8.284 14.394 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.115 -8.852 12.811 1.00 0.00 H new ATOM 1688 N ASP B 34 -4.823 -7.452 10.978 1.00 0.00 N ATOM 1689 CA ASP B 34 -5.606 -8.577 10.496 1.00 0.00 C ATOM 1690 C ASP B 34 -5.356 -8.762 8.997 1.00 0.00 C ATOM 1691 O ASP B 34 -5.084 -9.897 8.581 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.102 -8.333 10.699 1.00 0.00 C ATOM 1693 CG ASP B 34 -7.985 -9.574 10.550 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -7.753 -10.422 9.676 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -8.962 -9.653 11.389 1.00 0.00 O ATOM 0 H ASP B 34 -5.379 -6.693 11.372 1.00 0.00 H new ATOM 0 HA ASP B 34 -5.305 -9.462 11.056 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -7.255 -7.914 11.694 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -7.433 -7.582 9.982 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.451 -7.660 8.231 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.236 -7.701 6.795 1.00 0.00 C ATOM 1702 C ARG B 35 -3.820 -8.206 6.509 1.00 0.00 C ATOM 1703 O ARG B 35 -3.662 -9.032 5.599 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.417 -6.320 6.159 1.00 0.00 C ATOM 1705 CG ARG B 35 -6.897 -5.945 6.077 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.069 -4.447 5.811 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.249 -4.042 4.647 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.741 -3.419 3.555 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -8.050 -3.141 3.501 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.932 -3.085 2.541 1.00 0.00 N ATOM 0 H ARG B 35 -5.676 -6.734 8.595 1.00 0.00 H new ATOM 0 HA ARG B 35 -5.975 -8.374 6.362 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -4.881 -5.573 6.744 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -4.981 -6.316 5.160 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.377 -6.517 5.283 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.396 -6.212 7.009 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.119 -4.221 5.623 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -6.773 -3.877 6.691 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.250 -4.246 4.672 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.659 -3.400 4.278 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -8.438 -2.671 2.683 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.936 -3.301 2.590 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -6.312 -2.614 1.719 1.00 0.00 H new ATOM 1724 N LEU B 36 -2.837 -7.706 7.278 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.449 -8.105 7.108 1.00 0.00 C ATOM 1726 C LEU B 36 -1.323 -9.612 7.344 1.00 0.00 C ATOM 1727 O LEU B 36 -0.512 -10.250 6.657 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.537 -7.264 8.004 1.00 0.00 C ATOM 1729 CG LEU B 36 0.744 -7.948 8.487 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.732 -8.137 7.334 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.367 -7.182 9.656 1.00 0.00 C ATOM 0 H LEU B 36 -2.989 -7.024 8.021 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.120 -7.913 6.087 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.260 -6.360 7.461 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.109 -6.949 8.877 1.00 0.00 H new ATOM 0 HG LEU B 36 0.484 -8.941 8.855 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.634 -8.625 7.704 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.275 -8.756 6.561 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.992 -7.165 6.914 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.276 -7.689 9.980 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.611 -6.168 9.338 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.659 -7.142 10.484 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.114 -10.141 8.294 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.091 -11.558 8.614 1.00 0.00 C ATOM 1745 C ARG B 37 -2.576 -12.358 7.403 1.00 0.00 C ATOM 1746 O ARG B 37 -1.823 -13.218 6.924 1.00 0.00 O ATOM 1747 CB ARG B 37 -2.978 -11.879 9.819 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.162 -12.508 10.948 1.00 0.00 C ATOM 1749 CD ARG B 37 -1.770 -11.460 11.992 1.00 0.00 C ATOM 1750 NE ARG B 37 -2.873 -11.274 12.961 1.00 0.00 N ATOM 1751 CZ ARG B 37 -2.813 -11.642 14.258 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -1.691 -12.214 14.719 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -3.857 -11.439 15.073 1.00 0.00 N ATOM 0 H ARG B 37 -2.775 -9.597 8.849 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.066 -11.831 8.866 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -3.457 -10.967 10.176 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -3.774 -12.560 9.518 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -2.741 -13.300 11.423 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.265 -12.971 10.538 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -0.866 -11.775 12.513 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -1.542 -10.514 11.502 1.00 0.00 H new ATOM 0 HE ARG B 37 -3.734 -10.840 12.627 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -0.901 -12.365 14.092 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -1.628 -12.498 15.697 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -4.707 -11.003 14.715 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -3.802 -11.721 16.052 1.00 0.00 H new ATOM 1767 N ARG B 38 -3.805 -12.064 6.941 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.382 -12.751 5.799 1.00 0.00 C ATOM 1769 C ARG B 38 -3.514 -12.498 4.564 1.00 0.00 C ATOM 1770 O ARG B 38 -3.515 -13.343 3.658 1.00 0.00 O ATOM 1771 CB ARG B 38 -5.808 -12.276 5.516 1.00 0.00 C ATOM 1772 CG ARG B 38 -6.255 -11.238 6.548 1.00 0.00 C ATOM 1773 CD ARG B 38 -7.728 -10.873 6.358 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.020 -10.678 4.920 1.00 0.00 N ATOM 1775 CZ ARG B 38 -8.604 -9.572 4.409 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -8.950 -8.579 5.238 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -8.833 -9.471 3.092 1.00 0.00 N ATOM 0 H ARG B 38 -4.409 -11.352 7.351 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.418 -13.816 6.030 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.860 -11.846 4.516 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.489 -13.127 5.533 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.101 -11.630 7.553 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -5.640 -10.342 6.458 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -8.362 -11.662 6.762 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.960 -9.963 6.911 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.764 -11.425 4.275 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -8.772 -8.665 6.239 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -9.392 -7.737 4.869 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -8.566 -10.232 2.468 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -9.274 -8.633 2.714 1.00 0.00 H new ATOM 1791 N ASP B 39 -2.802 -11.356 4.553 1.00 0.00 N ATOM 1792 CA ASP B 39 -1.939 -10.997 3.441 1.00 0.00 C ATOM 1793 C ASP B 39 -0.638 -11.796 3.532 1.00 0.00 C ATOM 1794 O ASP B 39 -0.051 -12.091 2.481 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.584 -9.510 3.476 1.00 0.00 C ATOM 1796 CG ASP B 39 -2.477 -8.611 2.617 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -3.711 -8.733 2.635 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -1.848 -7.746 1.897 1.00 0.00 O ATOM 0 H ASP B 39 -2.816 -10.672 5.310 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.472 -11.218 2.516 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -1.633 -9.165 4.509 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.551 -9.391 3.148 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.218 -12.124 4.767 1.00 0.00 N ATOM 1804 CA GLN B 40 1.003 -12.881 4.991 1.00 0.00 C ATOM 1805 C GLN B 40 0.879 -14.249 4.316 1.00 0.00 C ATOM 1806 O GLN B 40 1.813 -14.639 3.599 1.00 0.00 O ATOM 1807 CB GLN B 40 1.305 -13.030 6.483 1.00 0.00 C ATOM 1808 CG GLN B 40 2.491 -13.971 6.709 1.00 0.00 C ATOM 1809 CD GLN B 40 3.819 -13.230 6.535 1.00 0.00 C ATOM 1810 OE1 GLN B 40 4.037 -12.794 5.299 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.594 -13.067 7.463 1.00 0.00 N flip ATOM 0 H GLN B 40 -0.716 -11.871 5.621 1.00 0.00 H new ATOM 0 HA GLN B 40 1.839 -12.337 4.551 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.524 -12.053 6.913 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.426 -13.416 6.999 1.00 0.00 H new ATOM 0 HG2 GLN B 40 2.436 -14.397 7.711 1.00 0.00 H new ATOM 0 HG3 GLN B 40 2.439 -14.802 6.006 1.00 0.00 H new ATOM 0 HE21 GLN B 40 4.364 -13.428 8.389 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.472 -12.569 7.313 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.250 -14.939 4.555 1.00 0.00 N ATOM 1821 CA LYS B 41 -0.490 -16.250 3.975 1.00 0.00 C ATOM 1822 C LYS B 41 -0.629 -16.114 2.458 1.00 0.00 C ATOM 1823 O LYS B 41 0.150 -16.750 1.734 1.00 0.00 O ATOM 1824 CB LYS B 41 -1.689 -16.921 4.645 1.00 0.00 C ATOM 1825 CG LYS B 41 -3.000 -16.483 3.991 1.00 0.00 C ATOM 1826 CD LYS B 41 -4.207 -17.018 4.765 1.00 0.00 C ATOM 1827 CE LYS B 41 -3.987 -16.895 6.275 1.00 0.00 C ATOM 1828 NZ LYS B 41 -3.262 -18.069 6.788 1.00 0.00 N ATOM 0 H LYS B 41 -1.006 -14.600 5.149 1.00 0.00 H new ATOM 0 HA LYS B 41 0.358 -16.909 4.160 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -1.589 -18.004 4.577 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -1.706 -16.669 5.705 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -3.044 -15.395 3.950 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -3.035 -16.843 2.963 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -5.102 -16.466 4.478 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -4.379 -18.062 4.502 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -3.423 -15.988 6.494 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -4.948 -16.803 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -3.845 -18.553 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -3.061 -18.722 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -2.368 -17.763 7.222 1.00 0.00 H new ATOM 1842 N SER B 42 -1.605 -15.300 2.014 1.00 0.00 N ATOM 1843 CA SER B 42 -1.841 -15.084 0.596 1.00 0.00 C ATOM 1844 C SER B 42 -0.514 -14.769 -0.096 1.00 0.00 C ATOM 1845 O SER B 42 -0.089 -15.566 -0.945 1.00 0.00 O ATOM 1846 CB SER B 42 -2.845 -13.953 0.362 1.00 0.00 C ATOM 1847 OG SER B 42 -4.018 -14.409 -0.306 1.00 0.00 O ATOM 0 H SER B 42 -2.237 -14.786 2.627 1.00 0.00 H new ATOM 0 HA SER B 42 -2.268 -15.993 0.173 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.122 -13.511 1.319 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.374 -13.167 -0.228 1.00 0.00 H new ATOM 0 HG SER B 42 -4.634 -13.658 -0.435 1.00 0.00 H new ATOM 1853 N LEU B 43 0.102 -13.632 0.272 1.00 0.00 N ATOM 1854 CA LEU B 43 1.367 -13.218 -0.310 1.00 0.00 C ATOM 1855 C LEU B 43 2.363 -14.378 -0.233 1.00 0.00 C ATOM 1856 O LEU B 43 2.901 -14.764 -1.281 1.00 0.00 O ATOM 1857 CB LEU B 43 1.868 -11.934 0.353 1.00 0.00 C ATOM 1858 CG LEU B 43 3.197 -11.383 -0.169 1.00 0.00 C ATOM 1859 CD1 LEU B 43 2.969 -10.394 -1.312 1.00 0.00 C ATOM 1860 CD2 LEU B 43 4.019 -10.769 0.966 1.00 0.00 C ATOM 0 H LEU B 43 -0.266 -12.989 0.973 1.00 0.00 H new ATOM 0 HA LEU B 43 1.239 -12.976 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.106 -11.165 0.231 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.968 -12.117 1.423 1.00 0.00 H new ATOM 0 HG LEU B 43 3.776 -12.213 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.929 -10.018 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.454 -10.896 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.361 -9.562 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU B 43 4.958 -10.385 0.568 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.458 -9.954 1.422 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.227 -11.531 1.717 1.00 0.00 H new ATOM 1872 N ARG B 44 2.583 -14.902 0.986 1.00 0.00 N ATOM 1873 CA ARG B 44 3.504 -16.006 1.194 1.00 0.00 C ATOM 1874 C ARG B 44 3.332 -17.027 0.068 1.00 0.00 C ATOM 1875 O ARG B 44 4.319 -17.309 -0.628 1.00 0.00 O ATOM 1876 CB ARG B 44 3.262 -16.696 2.539 1.00 0.00 C ATOM 1877 CG ARG B 44 3.986 -18.042 2.602 1.00 0.00 C ATOM 1878 CD ARG B 44 4.411 -18.369 4.036 1.00 0.00 C ATOM 1879 NE ARG B 44 5.741 -19.020 4.033 1.00 0.00 N ATOM 1880 CZ ARG B 44 5.971 -20.269 3.576 1.00 0.00 C ATOM 1881 NH1 ARG B 44 4.946 -20.982 3.089 1.00 0.00 N ATOM 1882 NH2 ARG B 44 7.206 -20.788 3.608 1.00 0.00 N ATOM 0 H ARG B 44 2.129 -14.570 1.837 1.00 0.00 H new ATOM 0 HA ARG B 44 4.517 -15.605 1.195 1.00 0.00 H new ATOM 0 HB2 ARG B 44 3.609 -16.054 3.349 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.193 -16.847 2.687 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.333 -18.829 2.224 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.863 -18.018 1.955 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.445 -17.457 4.631 1.00 0.00 H new ATOM 0 HD3 ARG B 44 3.676 -19.026 4.501 1.00 0.00 H new ATOM 0 HE ARG B 44 6.533 -18.492 4.399 1.00 0.00 H new ATOM 0 HH11 ARG B 44 4.009 -20.579 3.068 1.00 0.00 H new ATOM 0 HH12 ARG B 44 5.103 -21.927 2.740 1.00 0.00 H new ATOM 0 HH21 ARG B 44 7.981 -20.238 3.980 1.00 0.00 H new ATOM 0 HH22 ARG B 44 7.371 -21.733 3.261 1.00 0.00 H new ATOM 1896 N GLY B 45 2.104 -17.553 -0.088 1.00 0.00 N ATOM 1897 CA GLY B 45 1.810 -18.532 -1.119 1.00 0.00 C ATOM 1898 C GLY B 45 2.302 -18.007 -2.470 1.00 0.00 C ATOM 1899 O GLY B 45 2.970 -18.764 -3.189 1.00 0.00 O ATOM 0 H GLY B 45 1.304 -17.307 0.496 1.00 0.00 H new ATOM 0 HA2 GLY B 45 2.295 -19.480 -0.886 1.00 0.00 H new ATOM 0 HA3 GLY B 45 0.738 -18.724 -1.159 1.00 0.00 H new ATOM 1903 N ARG B 46 1.967 -16.741 -2.782 1.00 0.00 N ATOM 1904 CA ARG B 46 2.372 -16.125 -4.034 1.00 0.00 C ATOM 1905 C ARG B 46 3.886 -16.270 -4.202 1.00 0.00 C ATOM 1906 O ARG B 46 4.310 -16.993 -5.116 1.00 0.00 O ATOM 1907 CB ARG B 46 2.002 -14.641 -4.075 1.00 0.00 C ATOM 1908 CG ARG B 46 1.272 -14.295 -5.375 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.221 -14.612 -5.268 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.014 -13.540 -5.910 1.00 0.00 N ATOM 1911 CZ ARG B 46 -1.518 -13.617 -7.160 1.00 0.00 C ATOM 1912 NH1 ARG B 46 -1.298 -14.725 -7.883 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -2.227 -12.602 -7.671 1.00 0.00 N ATOM 0 H ARG B 46 1.416 -16.134 -2.175 1.00 0.00 H new ATOM 0 HA ARG B 46 1.847 -16.630 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.369 -14.396 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG B 46 2.904 -14.035 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG B 46 1.407 -13.237 -5.602 1.00 0.00 H new ATOM 0 HG3 ARG B 46 1.708 -14.856 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.433 -15.568 -5.746 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -0.506 -14.709 -4.220 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.191 -12.690 -5.375 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -0.757 -15.493 -7.487 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -1.672 -14.799 -8.829 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -2.390 -11.763 -7.115 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -2.604 -12.668 -8.616 1.00 0.00 H new ATOM 1927 N GLY B 47 4.657 -15.593 -3.333 1.00 0.00 N ATOM 1928 CA GLY B 47 6.108 -15.647 -3.388 1.00 0.00 C ATOM 1929 C GLY B 47 6.554 -17.102 -3.542 1.00 0.00 C ATOM 1930 O GLY B 47 7.601 -17.335 -4.164 1.00 0.00 O ATOM 0 H GLY B 47 4.288 -15.004 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY B 47 6.474 -15.052 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY B 47 6.534 -15.218 -2.481 1.00 0.00 H new ATOM 1934 N SER B 48 5.765 -18.037 -2.982 1.00 0.00 N ATOM 1935 CA SER B 48 6.077 -19.454 -3.058 1.00 0.00 C ATOM 1936 C SER B 48 5.944 -19.924 -4.508 1.00 0.00 C ATOM 1937 O SER B 48 6.966 -20.295 -5.105 1.00 0.00 O ATOM 1938 CB SER B 48 5.165 -20.278 -2.147 1.00 0.00 C ATOM 1939 OG SER B 48 5.855 -21.373 -1.550 1.00 0.00 O ATOM 0 H SER B 48 4.907 -17.824 -2.473 1.00 0.00 H new ATOM 0 HA SER B 48 7.101 -19.602 -2.716 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.758 -19.636 -1.365 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.320 -20.653 -2.724 1.00 0.00 H new ATOM 0 HG SER B 48 5.239 -21.873 -0.975 1.00 0.00 H new ATOM 1945 N THR B 49 4.707 -19.900 -5.038 1.00 0.00 N ATOM 1946 CA THR B 49 4.447 -20.320 -6.404 1.00 0.00 C ATOM 1947 C THR B 49 5.540 -19.769 -7.320 1.00 0.00 C ATOM 1948 O THR B 49 6.315 -20.569 -7.864 1.00 0.00 O ATOM 1949 CB THR B 49 3.039 -19.866 -6.795 1.00 0.00 C ATOM 1950 OG1 THR B 49 2.218 -20.996 -6.513 1.00 0.00 O ATOM 1951 CG2 THR B 49 2.888 -19.663 -8.304 1.00 0.00 C ATOM 0 H THR B 49 3.878 -19.591 -4.530 1.00 0.00 H new ATOM 0 HA THR B 49 4.477 -21.405 -6.502 1.00 0.00 H new ATOM 0 HB THR B 49 2.801 -18.937 -6.278 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.287 -20.788 -6.736 1.00 0.00 H new ATOM 0 HG21 THR B 49 1.871 -19.341 -8.528 1.00 0.00 H new ATOM 0 HG22 THR B 49 3.592 -18.902 -8.641 1.00 0.00 H new ATOM 0 HG23 THR B 49 3.094 -20.601 -8.820 1.00 0.00 H new ATOM 1959 N LEU B 50 5.582 -18.432 -7.473 1.00 0.00 N ATOM 1960 CA LEU B 50 6.571 -17.783 -8.315 1.00 0.00 C ATOM 1961 C LEU B 50 7.971 -18.229 -7.888 1.00 0.00 C ATOM 1962 O LEU B 50 8.772 -18.582 -8.766 1.00 0.00 O ATOM 1963 CB LEU B 50 6.378 -16.266 -8.296 1.00 0.00 C ATOM 1964 CG LEU B 50 5.797 -15.648 -9.570 1.00 0.00 C ATOM 1965 CD1 LEU B 50 5.060 -14.343 -9.260 1.00 0.00 C ATOM 1966 CD2 LEU B 50 6.883 -15.454 -10.630 1.00 0.00 C ATOM 0 H LEU B 50 4.934 -17.789 -7.017 1.00 0.00 H new ATOM 0 HA LEU B 50 6.443 -18.085 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.723 -16.013 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU B 50 7.343 -15.799 -8.097 1.00 0.00 H new ATOM 0 HG LEU B 50 5.064 -16.342 -9.982 1.00 0.00 H new ATOM 0 HD11 LEU B 50 4.657 -13.925 -10.182 1.00 0.00 H new ATOM 0 HD12 LEU B 50 4.244 -14.542 -8.565 1.00 0.00 H new ATOM 0 HD13 LEU B 50 5.753 -13.631 -8.811 1.00 0.00 H new ATOM 0 HD21 LEU B 50 6.443 -15.014 -11.525 1.00 0.00 H new ATOM 0 HD22 LEU B 50 7.656 -14.791 -10.242 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.324 -16.419 -10.880 1.00 0.00 H new ATOM 1978 N GLY B 51 8.234 -18.207 -6.568 1.00 0.00 N ATOM 1979 CA GLY B 51 9.523 -18.607 -6.033 1.00 0.00 C ATOM 1980 C GLY B 51 10.573 -17.560 -6.410 1.00 0.00 C ATOM 1981 O GLY B 51 11.754 -17.923 -6.522 1.00 0.00 O ATOM 0 H GLY B 51 7.560 -17.913 -5.861 1.00 0.00 H new ATOM 0 HA2 GLY B 51 9.465 -18.707 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY B 51 9.807 -19.582 -6.428 1.00 0.00 H new ATOM 1985 N LEU B 52 10.132 -16.304 -6.595 1.00 0.00 N ATOM 1986 CA LEU B 52 11.028 -15.218 -6.955 1.00 0.00 C ATOM 1987 C LEU B 52 11.876 -14.837 -5.740 1.00 0.00 C ATOM 1988 O LEU B 52 12.793 -15.599 -5.399 1.00 0.00 O ATOM 1989 CB LEU B 52 10.240 -14.047 -7.547 1.00 0.00 C ATOM 1990 CG LEU B 52 9.979 -14.106 -9.053 1.00 0.00 C ATOM 1991 CD1 LEU B 52 8.978 -13.031 -9.479 1.00 0.00 C ATOM 1992 CD2 LEU B 52 11.288 -14.016 -9.840 1.00 0.00 C ATOM 0 H LEU B 52 9.155 -16.026 -6.498 1.00 0.00 H new ATOM 0 HA LEU B 52 11.717 -15.537 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU B 52 9.280 -13.985 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU B 52 10.779 -13.125 -7.328 1.00 0.00 H new ATOM 0 HG LEU B 52 9.530 -15.072 -9.284 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.811 -13.095 -10.554 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.035 -13.184 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.375 -12.046 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU B 52 11.074 -14.060 -10.908 1.00 0.00 H new ATOM 0 HD22 LEU B 52 11.788 -13.075 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU B 52 11.936 -14.848 -9.565 1.00 0.00 H new ATOM 2004 N ASN B 53 11.560 -13.686 -5.122 1.00 0.00 N ATOM 2005 CA ASN B 53 12.286 -13.212 -3.957 1.00 0.00 C ATOM 2006 C ASN B 53 11.587 -11.973 -3.394 1.00 0.00 C ATOM 2007 O ASN B 53 11.883 -10.863 -3.864 1.00 0.00 O ATOM 2008 CB ASN B 53 13.720 -12.820 -4.325 1.00 0.00 C ATOM 2009 CG ASN B 53 14.732 -13.728 -3.625 1.00 0.00 C ATOM 2010 OD1 ASN B 53 15.566 -14.366 -4.246 1.00 0.00 O ATOM 2011 ND2 ASN B 53 14.614 -13.750 -2.300 1.00 0.00 N ATOM 0 H ASN B 53 10.802 -13.073 -5.420 1.00 0.00 H new ATOM 0 HA ASN B 53 12.308 -14.017 -3.223 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.853 -12.885 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.901 -11.783 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN B 53 15.244 -14.325 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN B 53 13.893 -13.191 -1.843 1.00 0.00 H new ATOM 2018 N ILE B 54 10.690 -12.181 -2.415 1.00 0.00 N ATOM 2019 CA ILE B 54 9.957 -11.089 -1.796 1.00 0.00 C ATOM 2020 C ILE B 54 10.909 -9.917 -1.551 1.00 0.00 C ATOM 2021 O ILE B 54 10.497 -8.767 -1.763 1.00 0.00 O ATOM 2022 CB ILE B 54 9.240 -11.572 -0.534 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.790 -11.956 -0.841 1.00 0.00 C ATOM 2024 CG2 ILE B 54 9.332 -10.531 0.583 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.726 -13.018 -1.940 1.00 0.00 C ATOM 0 H ILE B 54 10.462 -13.103 -2.042 1.00 0.00 H new ATOM 0 HA ILE B 54 9.173 -10.730 -2.463 1.00 0.00 H new ATOM 0 HB ILE B 54 9.744 -12.471 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE B 54 7.311 -12.333 0.062 1.00 0.00 H new ATOM 0 HG13 ILE B 54 7.234 -11.072 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.814 -10.900 1.468 1.00 0.00 H new ATOM 0 HG22 ILE B 54 10.379 -10.349 0.825 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.869 -9.601 0.253 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.685 -13.273 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.185 -12.629 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE B 54 8.263 -13.910 -1.616 1.00 0.00 H new ATOM 2037 N GLU B 55 12.145 -10.224 -1.116 1.00 0.00 N ATOM 2038 CA GLU B 55 13.143 -9.204 -0.845 1.00 0.00 C ATOM 2039 C GLU B 55 13.443 -8.436 -2.134 1.00 0.00 C ATOM 2040 O GLU B 55 13.187 -7.223 -2.171 1.00 0.00 O ATOM 2041 CB GLU B 55 14.420 -9.808 -0.259 1.00 0.00 C ATOM 2042 CG GLU B 55 14.704 -9.243 1.134 1.00 0.00 C ATOM 2043 CD GLU B 55 15.439 -10.267 2.002 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.274 -11.018 1.370 1.00 0.00 O ATOM 2045 OE2 GLU B 55 15.208 -10.327 3.220 1.00 0.00 O ATOM 0 H GLU B 55 12.465 -11.178 -0.948 1.00 0.00 H new ATOM 0 HA GLU B 55 12.746 -8.516 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU B 55 14.321 -10.892 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU B 55 15.262 -9.599 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU B 55 15.304 -8.337 1.047 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.767 -8.960 1.614 1.00 0.00 H new ATOM 2052 N ALA B 56 13.968 -9.144 -3.150 1.00 0.00 N ATOM 2053 CA ALA B 56 14.298 -8.533 -4.426 1.00 0.00 C ATOM 2054 C ALA B 56 13.107 -7.705 -4.912 1.00 0.00 C ATOM 2055 O ALA B 56 13.286 -6.504 -5.164 1.00 0.00 O ATOM 2056 CB ALA B 56 14.521 -9.622 -5.476 1.00 0.00 C ATOM 0 H ALA B 56 14.169 -10.143 -3.100 1.00 0.00 H new ATOM 0 HA ALA B 56 15.190 -7.920 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.768 -9.160 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.341 -10.268 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.613 -10.215 -5.584 1.00 0.00 H new ATOM 2062 N ALA B 57 11.933 -8.351 -5.034 1.00 0.00 N ATOM 2063 CA ALA B 57 10.727 -7.680 -5.487 1.00 0.00 C ATOM 2064 C ALA B 57 10.479 -6.446 -4.616 1.00 0.00 C ATOM 2065 O ALA B 57 10.056 -5.416 -5.161 1.00 0.00 O ATOM 2066 CB ALA B 57 9.520 -8.598 -5.283 1.00 0.00 C ATOM 0 H ALA B 57 11.806 -9.341 -4.821 1.00 0.00 H new ATOM 0 HA ALA B 57 10.852 -7.415 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.617 -8.092 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.660 -9.515 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.423 -8.841 -4.225 1.00 0.00 H new ATOM 2072 N THR B 58 10.743 -6.572 -3.304 1.00 0.00 N ATOM 2073 CA THR B 58 10.550 -5.475 -2.370 1.00 0.00 C ATOM 2074 C THR B 58 11.505 -4.334 -2.727 1.00 0.00 C ATOM 2075 O THR B 58 11.107 -3.168 -2.591 1.00 0.00 O ATOM 2076 CB THR B 58 10.740 -6.005 -0.948 1.00 0.00 C ATOM 2077 OG1 THR B 58 9.422 -6.344 -0.524 1.00 0.00 O ATOM 2078 CG2 THR B 58 11.175 -4.912 0.031 1.00 0.00 C ATOM 0 H THR B 58 11.091 -7.430 -2.876 1.00 0.00 H new ATOM 0 HA THR B 58 9.541 -5.068 -2.432 1.00 0.00 H new ATOM 0 HB THR B 58 11.482 -6.803 -0.955 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.875 -6.571 -1.305 1.00 0.00 H new ATOM 0 HG21 THR B 58 11.296 -5.341 1.026 1.00 0.00 H new ATOM 0 HG22 THR B 58 12.123 -4.485 -0.298 1.00 0.00 H new ATOM 0 HG23 THR B 58 10.417 -4.130 0.063 1.00 0.00 H new ATOM 2086 N HIS B 59 12.726 -4.686 -3.168 1.00 0.00 N ATOM 2087 CA HIS B 59 13.725 -3.698 -3.540 1.00 0.00 C ATOM 2088 C HIS B 59 13.258 -2.952 -4.791 1.00 0.00 C ATOM 2089 O HIS B 59 12.973 -1.749 -4.689 1.00 0.00 O ATOM 2090 CB HIS B 59 15.098 -4.348 -3.715 1.00 0.00 C ATOM 2091 CG HIS B 59 15.716 -4.835 -2.427 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.632 -5.873 -2.379 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.542 -4.416 -1.140 1.00 0.00 C ATOM 2094 CE1 HIS B 59 16.984 -6.061 -1.116 1.00 0.00 C ATOM 2095 NE2 HIS B 59 16.308 -5.158 -0.349 1.00 0.00 N ATOM 0 H HIS B 59 13.034 -5.653 -3.272 1.00 0.00 H new ATOM 0 HA HIS B 59 13.837 -2.967 -2.739 1.00 0.00 H new ATOM 0 HB2 HIS B 59 15.005 -5.189 -4.402 1.00 0.00 H new ATOM 0 HB3 HIS B 59 15.772 -3.629 -4.180 1.00 0.00 H new ATOM 0 HD2 HIS B 59 14.891 -3.616 -0.819 1.00 0.00 H new ATOM 0 HE1 HIS B 59 17.684 -6.800 -0.756 1.00 0.00 H new ATOM 0 HE2 HIS B 59 16.379 -5.068 0.664 1.00 0.00 H new ATOM 2103 N VAL B 60 13.189 -3.667 -5.929 1.00 0.00 N ATOM 2104 CA VAL B 60 12.760 -3.077 -7.185 1.00 0.00 C ATOM 2105 C VAL B 60 11.469 -2.287 -6.957 1.00 0.00 C ATOM 2106 O VAL B 60 11.389 -1.142 -7.424 1.00 0.00 O ATOM 2107 CB VAL B 60 12.616 -4.163 -8.252 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.576 -3.767 -9.301 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.965 -4.471 -8.906 1.00 0.00 C ATOM 0 H VAL B 60 13.428 -4.657 -5.992 1.00 0.00 H new ATOM 0 HA VAL B 60 13.509 -2.377 -7.554 1.00 0.00 H new ATOM 0 HB VAL B 60 12.267 -5.071 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.493 -4.557 -10.048 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.610 -3.622 -8.818 1.00 0.00 H new ATOM 0 HG13 VAL B 60 11.883 -2.840 -9.786 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.835 -5.246 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL B 60 14.356 -3.569 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL B 60 14.667 -4.818 -8.147 1.00 0.00 H new ATOM 2119 N GLY B 61 10.501 -2.905 -6.258 1.00 0.00 N ATOM 2120 CA GLY B 61 9.228 -2.264 -5.974 1.00 0.00 C ATOM 2121 C GLY B 61 9.480 -0.932 -5.264 1.00 0.00 C ATOM 2122 O GLY B 61 8.856 0.068 -5.649 1.00 0.00 O ATOM 0 H GLY B 61 10.587 -3.850 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.677 -2.097 -6.900 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.613 -2.912 -5.349 1.00 0.00 H new ATOM 2126 N LYS B 62 10.372 -0.944 -4.257 1.00 0.00 N ATOM 2127 CA LYS B 62 10.699 0.253 -3.503 1.00 0.00 C ATOM 2128 C LYS B 62 11.139 1.355 -4.470 1.00 0.00 C ATOM 2129 O LYS B 62 10.833 2.527 -4.207 1.00 0.00 O ATOM 2130 CB LYS B 62 11.733 -0.062 -2.419 1.00 0.00 C ATOM 2131 CG LYS B 62 11.158 0.190 -1.024 1.00 0.00 C ATOM 2132 CD LYS B 62 11.841 1.387 -0.358 1.00 0.00 C ATOM 2133 CE LYS B 62 11.847 2.602 -1.286 1.00 0.00 C ATOM 2134 NZ LYS B 62 12.086 3.835 -0.520 1.00 0.00 N ATOM 0 H LYS B 62 10.874 -1.779 -3.955 1.00 0.00 H new ATOM 0 HA LYS B 62 9.820 0.623 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS B 62 12.049 -1.102 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.620 0.554 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS B 62 10.086 0.372 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS B 62 11.290 -0.698 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.324 1.636 0.569 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.865 1.124 -0.091 1.00 0.00 H new ATOM 0 HE2 LYS B 62 12.620 2.483 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.894 2.671 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 12.721 4.460 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 11.182 4.321 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 12.525 3.597 0.392 1.00 0.00 H new ATOM 2148 N GLN B 63 11.835 0.964 -5.552 1.00 0.00 N ATOM 2149 CA GLN B 63 12.311 1.912 -6.546 1.00 0.00 C ATOM 2150 C GLN B 63 11.139 2.350 -7.427 1.00 0.00 C ATOM 2151 O GLN B 63 11.116 3.518 -7.840 1.00 0.00 O ATOM 2152 CB GLN B 63 13.442 1.322 -7.390 1.00 0.00 C ATOM 2153 CG GLN B 63 14.807 1.790 -6.882 1.00 0.00 C ATOM 2154 CD GLN B 63 15.642 0.608 -6.384 1.00 0.00 C ATOM 2155 OE1 GLN B 63 14.964 -0.253 -5.629 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 16.822 0.485 -6.666 1.00 0.00 N flip ATOM 0 H GLN B 63 12.075 -0.007 -5.751 1.00 0.00 H new ATOM 0 HA GLN B 63 12.721 2.782 -6.032 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.393 0.234 -7.361 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.316 1.619 -8.431 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.340 2.305 -7.682 1.00 0.00 H new ATOM 0 HG3 GLN B 63 14.671 2.510 -6.075 1.00 0.00 H new ATOM 0 HE21 GLN B 63 17.282 1.183 -7.251 1.00 0.00 H new ATOM 0 HE22 GLN B 63 17.349 -0.316 -6.317 1.00 0.00 H new ATOM 2165 N ILE B 64 10.206 1.419 -7.694 1.00 0.00 N ATOM 2166 CA ILE B 64 9.044 1.706 -8.518 1.00 0.00 C ATOM 2167 C ILE B 64 8.164 2.737 -7.808 1.00 0.00 C ATOM 2168 O ILE B 64 7.663 3.648 -8.483 1.00 0.00 O ATOM 2169 CB ILE B 64 8.309 0.414 -8.879 1.00 0.00 C ATOM 2170 CG1 ILE B 64 8.825 -0.158 -10.201 1.00 0.00 C ATOM 2171 CG2 ILE B 64 6.795 0.632 -8.901 1.00 0.00 C ATOM 2172 CD1 ILE B 64 8.073 0.444 -11.390 1.00 0.00 C ATOM 0 H ILE B 64 10.245 0.462 -7.344 1.00 0.00 H new ATOM 0 HA ILE B 64 9.350 2.146 -9.467 1.00 0.00 H new ATOM 0 HB ILE B 64 8.516 -0.325 -8.105 1.00 0.00 H new ATOM 0 HG12 ILE B 64 9.891 0.047 -10.299 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.708 -1.242 -10.203 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.297 -0.302 -9.160 1.00 0.00 H new ATOM 0 HG22 ILE B 64 6.460 0.961 -7.917 1.00 0.00 H new ATOM 0 HG23 ILE B 64 6.548 1.393 -9.641 1.00 0.00 H new ATOM 0 HD11 ILE B 64 8.459 0.020 -12.317 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.011 0.216 -11.302 1.00 0.00 H new ATOM 0 HD13 ILE B 64 8.213 1.525 -11.399 1.00 0.00 H new ATOM 2184 N VAL B 65 7.995 2.575 -6.485 1.00 0.00 N ATOM 2185 CA VAL B 65 7.182 3.485 -5.694 1.00 0.00 C ATOM 2186 C VAL B 65 7.913 4.822 -5.552 1.00 0.00 C ATOM 2187 O VAL B 65 7.268 5.867 -5.719 1.00 0.00 O ATOM 2188 CB VAL B 65 6.838 2.844 -4.348 1.00 0.00 C ATOM 2189 CG1 VAL B 65 8.107 2.480 -3.574 1.00 0.00 C ATOM 2190 CG2 VAL B 65 5.935 3.761 -3.520 1.00 0.00 C ATOM 0 H VAL B 65 8.416 1.817 -5.949 1.00 0.00 H new ATOM 0 HA VAL B 65 6.234 3.685 -6.194 1.00 0.00 H new ATOM 0 HB VAL B 65 6.290 1.923 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.834 2.026 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.698 1.774 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL B 65 8.693 3.381 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL B 65 5.705 3.282 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL B 65 6.446 4.706 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL B 65 5.010 3.949 -4.065 1.00 0.00 H new ATOM 2200 N GLU B 66 9.223 4.763 -5.251 1.00 0.00 N ATOM 2201 CA GLU B 66 10.030 5.960 -5.088 1.00 0.00 C ATOM 2202 C GLU B 66 10.108 6.702 -6.424 1.00 0.00 C ATOM 2203 O GLU B 66 10.264 7.932 -6.406 1.00 0.00 O ATOM 2204 CB GLU B 66 11.428 5.627 -4.562 1.00 0.00 C ATOM 2205 CG GLU B 66 11.542 5.948 -3.070 1.00 0.00 C ATOM 2206 CD GLU B 66 12.992 6.252 -2.686 1.00 0.00 C ATOM 2207 OE1 GLU B 66 13.734 5.215 -2.493 1.00 0.00 O ATOM 2208 OE2 GLU B 66 13.372 7.428 -2.579 1.00 0.00 O ATOM 0 H GLU B 66 9.735 3.891 -5.118 1.00 0.00 H new ATOM 0 HA GLU B 66 9.557 6.604 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU B 66 11.641 4.571 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.175 6.194 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU B 66 10.911 6.803 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU B 66 11.175 5.106 -2.484 1.00 0.00 H new ATOM 2215 N LYS B 67 10.002 5.953 -7.536 1.00 0.00 N ATOM 2216 CA LYS B 67 10.060 6.536 -8.865 1.00 0.00 C ATOM 2217 C LYS B 67 8.746 7.263 -9.158 1.00 0.00 C ATOM 2218 O LYS B 67 8.779 8.280 -9.867 1.00 0.00 O ATOM 2219 CB LYS B 67 10.418 5.470 -9.903 1.00 0.00 C ATOM 2220 CG LYS B 67 9.947 5.884 -11.298 1.00 0.00 C ATOM 2221 CD LYS B 67 10.663 7.153 -11.766 1.00 0.00 C ATOM 2222 CE LYS B 67 11.319 6.940 -13.132 1.00 0.00 C ATOM 2223 NZ LYS B 67 12.776 6.792 -12.987 1.00 0.00 N ATOM 0 H LYS B 67 9.876 4.941 -7.528 1.00 0.00 H new ATOM 0 HA LYS B 67 10.854 7.280 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS B 67 11.497 5.313 -9.911 1.00 0.00 H new ATOM 0 HB3 LYS B 67 9.960 4.520 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS B 67 10.135 5.075 -12.004 1.00 0.00 H new ATOM 0 HG3 LYS B 67 8.870 6.053 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS B 67 9.951 7.976 -11.825 1.00 0.00 H new ATOM 0 HD3 LYS B 67 11.420 7.438 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS B 67 10.903 6.052 -13.607 1.00 0.00 H new ATOM 0 HE3 LYS B 67 11.096 7.784 -13.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 13.205 6.648 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 13.171 7.651 -12.553 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 12.983 5.972 -12.382 1.00 0.00 H new ATOM 2237 N ILE B 68 7.634 6.737 -8.615 1.00 0.00 N ATOM 2238 CA ILE B 68 6.324 7.332 -8.816 1.00 0.00 C ATOM 2239 C ILE B 68 6.184 8.563 -7.919 1.00 0.00 C ATOM 2240 O ILE B 68 5.773 9.618 -8.425 1.00 0.00 O ATOM 2241 CB ILE B 68 5.224 6.289 -8.605 1.00 0.00 C ATOM 2242 CG1 ILE B 68 4.676 5.791 -9.945 1.00 0.00 C ATOM 2243 CG2 ILE B 68 4.116 6.834 -7.701 1.00 0.00 C ATOM 2244 CD1 ILE B 68 4.414 4.285 -9.903 1.00 0.00 C ATOM 0 H ILE B 68 7.629 5.899 -8.034 1.00 0.00 H new ATOM 0 HA ILE B 68 6.215 7.674 -9.845 1.00 0.00 H new ATOM 0 HB ILE B 68 5.662 5.430 -8.096 1.00 0.00 H new ATOM 0 HG12 ILE B 68 3.752 6.318 -10.183 1.00 0.00 H new ATOM 0 HG13 ILE B 68 5.386 6.018 -10.740 1.00 0.00 H new ATOM 0 HG21 ILE B 68 3.348 6.073 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE B 68 4.536 7.100 -6.731 1.00 0.00 H new ATOM 0 HG23 ILE B 68 3.674 7.719 -8.160 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.025 3.956 -10.867 1.00 0.00 H new ATOM 0 HD12 ILE B 68 5.345 3.760 -9.689 1.00 0.00 H new ATOM 0 HD13 ILE B 68 3.685 4.064 -9.123 1.00 0.00 H new ATOM 2256 N LEU B 69 6.521 8.408 -6.626 1.00 0.00 N ATOM 2257 CA LEU B 69 6.434 9.499 -5.671 1.00 0.00 C ATOM 2258 C LEU B 69 7.465 10.572 -6.031 1.00 0.00 C ATOM 2259 O LEU B 69 7.210 11.751 -5.753 1.00 0.00 O ATOM 2260 CB LEU B 69 6.571 8.971 -4.241 1.00 0.00 C ATOM 2261 CG LEU B 69 7.991 8.636 -3.782 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.672 9.859 -3.165 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.991 7.439 -2.829 1.00 0.00 C ATOM 0 H LEU B 69 6.856 7.530 -6.229 1.00 0.00 H new ATOM 0 HA LEU B 69 5.452 9.970 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.156 9.714 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.959 8.074 -4.146 1.00 0.00 H new ATOM 0 HG LEU B 69 8.574 8.351 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.680 9.593 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.724 10.658 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.098 10.199 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU B 69 9.013 7.222 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.386 7.672 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.574 6.569 -3.337 1.00 0.00 H new ATOM 2275 N LYS B 70 8.589 10.146 -6.634 1.00 0.00 N ATOM 2276 CA LYS B 70 9.645 11.063 -7.027 1.00 0.00 C ATOM 2277 C LYS B 70 9.090 12.072 -8.034 1.00 0.00 C ATOM 2278 O LYS B 70 9.548 13.224 -8.028 1.00 0.00 O ATOM 2279 CB LYS B 70 10.864 10.290 -7.540 1.00 0.00 C ATOM 2280 CG LYS B 70 11.823 11.214 -8.290 1.00 0.00 C ATOM 2281 CD LYS B 70 12.678 10.426 -9.284 1.00 0.00 C ATOM 2282 CE LYS B 70 12.017 10.382 -10.663 1.00 0.00 C ATOM 2283 NZ LYS B 70 12.531 11.466 -11.517 1.00 0.00 N ATOM 0 H LYS B 70 8.779 9.168 -6.855 1.00 0.00 H new ATOM 0 HA LYS B 70 9.996 11.631 -6.165 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.383 9.824 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS B 70 10.538 9.486 -8.200 1.00 0.00 H new ATOM 0 HG2 LYS B 70 11.256 11.980 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS B 70 12.468 11.729 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.664 10.884 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.827 9.411 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS B 70 12.209 9.418 -11.134 1.00 0.00 H new ATOM 0 HE3 LYS B 70 10.936 10.476 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 12.072 11.421 -12.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 12.326 12.384 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.559 11.359 -11.632 1.00 0.00 H new ATOM 2297 N GLU B 71 8.131 11.628 -8.866 1.00 0.00 N ATOM 2298 CA GLU B 71 7.521 12.487 -9.867 1.00 0.00 C ATOM 2299 C GLU B 71 6.463 13.369 -9.200 1.00 0.00 C ATOM 2300 O GLU B 71 6.084 14.387 -9.796 1.00 0.00 O ATOM 2301 CB GLU B 71 6.914 11.672 -11.011 1.00 0.00 C ATOM 2302 CG GLU B 71 7.506 10.263 -11.055 1.00 0.00 C ATOM 2303 CD GLU B 71 7.247 9.601 -12.410 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.070 9.094 -12.553 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.140 9.581 -13.270 1.00 0.00 O ATOM 0 H GLU B 71 7.769 10.675 -8.856 1.00 0.00 H new ATOM 0 HA GLU B 71 8.294 13.120 -10.303 1.00 0.00 H new ATOM 0 HB2 GLU B 71 5.833 11.612 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU B 71 7.098 12.177 -11.959 1.00 0.00 H new ATOM 0 HG2 GLU B 71 8.579 10.310 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU B 71 7.070 9.657 -10.261 1.00 0.00 H new