USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 HIS :FLIP no HE2:sc= -1.42 F(o=-1.8,f=-0.69) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.0065 K(o=-0.69,f=-2.2) USER MOD Set 1.3: A 44 THR OG1 : rot 164:sc= 1.23 USER MOD Set 1.4: A 80 THR OG1 : rot -71:sc= 0.00277 USER MOD Set 1.5: A 117 GLN :FLIP amide:sc= -0.491 F(o=-1.2,f=-0.69) USER MOD Set 2.1: A 25 TYR OH : rot 29:sc= 0.287 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.42 K(o=-1.4,f=-7.1!) USER MOD Set 2.3: A 77 GLN : amide:sc= -0.0552 K(o=-1.4,f=-6.7!) USER MOD Set 2.4: A 79 THR OG1 : rot 87:sc= 0.774 USER MOD Set 3.1: A 63 ASN : amide:sc= 0 X(o=-0.0083,f=-0.023) USER MOD Set 3.2: A 73 LYS NZ :NH3+ 167:sc=-0.00834 (180deg=-0.195) USER MOD Set 4.1: A 52 SER OG : rot -91:sc= 0.902 USER MOD Set 4.2: A 61 ASN : amide:sc= -0.838 K(o=0.064,f=-2.1!) USER MOD Set 4.3: A 74 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 4 SER OG : rot -103:sc= 0.202 USER MOD Set 5.2: A 8 HIS : no HD1:sc= -0.489 X(o=-0.29,f=-0.25) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -141:sc= -0.231 (180deg=-0.708) USER MOD Single : A 3 ASN : amide:sc=-0.00824 X(o=-0.0082,f=-0.0082) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -7:sc= 0.938 USER MOD Single : A 11 THR OG1 : rot 63:sc= 1.01 USER MOD Single : A 12 GLN : amide:sc= -0.0607 X(o=-0.061,f=-0.027) USER MOD Single : A 14 TYR OH : rot 2:sc= 0.532 USER MOD Single : A 17 LYS NZ :NH3+ -119:sc= -0.176 (180deg=-1.19) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 157:sc= -0.332 (180deg=-1.95) USER MOD Single : A 36 THR OG1 : rot 19:sc= 0.924 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.0405 (180deg=-0.305) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.0028) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.065) USER MOD Single : A 68 ASN : amide:sc= -0.0751 X(o=-0.075,f=-0.17) USER MOD Single : A 72 SER OG : rot 170:sc= 0.0788 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.0986 F(o=-1,f=-0.099) USER MOD Single : A 87 SER OG : rot -106:sc= 0.133 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 6:sc= 0.132 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.611 K(o=-0.61,f=-2!) USER MOD Single : A 109 ASN : amide:sc= -0.135 K(o=-0.13,f=-2.3!) USER MOD Single : A 114 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-1.9!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.523 -0.062 1.045 1.00 0.00 N ATOM 2 CA GLN A 1 3.345 -1.005 -0.077 1.00 0.00 C ATOM 3 C GLN A 1 4.344 -2.105 -0.013 1.00 0.00 C ATOM 4 O GLN A 1 5.544 -1.839 0.055 1.00 0.00 O ATOM 5 CB GLN A 1 3.595 -0.278 -1.406 1.00 0.00 C ATOM 6 CG GLN A 1 2.617 0.873 -1.659 1.00 0.00 C ATOM 7 CD GLN A 1 2.956 1.488 -3.015 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.822 0.843 -4.062 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.410 2.777 -2.976 1.00 0.00 N ATOM 0 H1 GLN A 1 2.592 0.242 1.394 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.044 -0.531 1.813 1.00 0.00 H new ATOM 0 H3 GLN A 1 4.059 0.768 0.719 1.00 0.00 H new ATOM 0 HA GLN A 1 2.331 -1.400 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.613 0.111 -1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.521 -0.995 -2.224 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.590 0.509 -1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.696 1.621 -0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 1 3.500 3.259 -2.082 1.00 0.00 H new ATOM 0 HE22 GLN A 1 3.659 3.257 -3.841 1.00 0.00 H new ATOM 20 N ASP A 2 3.831 -3.359 -0.080 1.00 0.00 N ATOM 21 CA ASP A 2 4.582 -4.587 -0.190 1.00 0.00 C ATOM 22 C ASP A 2 5.515 -4.766 0.964 1.00 0.00 C ATOM 23 O ASP A 2 6.728 -4.625 0.807 1.00 0.00 O ATOM 24 CB ASP A 2 5.381 -4.721 -1.502 1.00 0.00 C ATOM 25 CG ASP A 2 4.413 -4.602 -2.672 1.00 0.00 C ATOM 26 OD1 ASP A 2 3.499 -5.462 -2.777 1.00 0.00 O ATOM 27 OD2 ASP A 2 4.576 -3.646 -3.477 1.00 0.00 O ATOM 0 H ASP A 2 2.825 -3.525 -0.056 1.00 0.00 H new ATOM 0 HA ASP A 2 3.825 -5.371 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.144 -3.945 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.898 -5.680 -1.534 1.00 0.00 H new ATOM 32 N ASN A 3 4.927 -5.067 2.150 1.00 0.00 N ATOM 33 CA ASN A 3 5.574 -5.296 3.423 1.00 0.00 C ATOM 34 C ASN A 3 5.641 -4.025 4.218 1.00 0.00 C ATOM 35 O ASN A 3 5.621 -4.063 5.448 1.00 0.00 O ATOM 36 CB ASN A 3 6.949 -6.009 3.398 1.00 0.00 C ATOM 37 CG ASN A 3 7.328 -6.525 4.782 1.00 0.00 C ATOM 38 OD1 ASN A 3 8.124 -5.914 5.507 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.764 -7.715 5.124 1.00 0.00 N ATOM 0 H ASN A 3 3.914 -5.157 2.223 1.00 0.00 H new ATOM 0 HA ASN A 3 4.927 -6.024 3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.918 -6.840 2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.713 -5.318 3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.991 -8.149 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.114 -8.173 4.486 1.00 0.00 H new ATOM 46 N SER A 4 5.697 -2.862 3.532 1.00 0.00 N ATOM 47 CA SER A 4 5.689 -1.583 4.176 1.00 0.00 C ATOM 48 C SER A 4 4.272 -1.106 4.322 1.00 0.00 C ATOM 49 O SER A 4 4.039 -0.036 4.871 1.00 0.00 O ATOM 50 CB SER A 4 6.507 -0.538 3.395 1.00 0.00 C ATOM 51 OG SER A 4 6.782 0.598 4.203 1.00 0.00 O ATOM 0 H SER A 4 5.749 -2.812 2.515 1.00 0.00 H new ATOM 0 HA SER A 4 6.152 -1.700 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.442 -0.983 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.958 -0.232 2.505 1.00 0.00 H new ATOM 0 HG SER A 4 6.188 1.334 3.946 1.00 0.00 H new ATOM 57 N ARG A 5 3.287 -1.888 3.824 1.00 0.00 N ATOM 58 CA ARG A 5 1.886 -1.572 3.905 1.00 0.00 C ATOM 59 C ARG A 5 1.446 -1.761 5.325 1.00 0.00 C ATOM 60 O ARG A 5 0.754 -0.911 5.896 1.00 0.00 O ATOM 61 CB ARG A 5 1.056 -2.493 2.988 1.00 0.00 C ATOM 62 CG ARG A 5 -0.435 -2.147 2.894 1.00 0.00 C ATOM 63 CD ARG A 5 -1.173 -3.083 1.933 1.00 0.00 C ATOM 64 NE ARG A 5 -2.629 -2.772 2.014 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.566 -3.665 1.577 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.187 -4.856 1.030 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.893 -3.366 1.698 1.00 0.00 N ATOM 0 H ARG A 5 3.473 -2.771 3.348 1.00 0.00 H new ATOM 0 HA ARG A 5 1.731 -0.543 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.484 -2.463 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.153 -3.518 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.887 -2.211 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.549 -1.116 2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.810 -2.946 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.990 -4.124 2.199 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.930 -1.878 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.197 -5.086 0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.894 -5.517 0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.180 -2.480 2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.597 -4.029 1.373 1.00 0.00 H new ATOM 81 N TYR A 6 1.878 -2.898 5.916 1.00 0.00 N ATOM 82 CA TYR A 6 1.744 -3.213 7.286 1.00 0.00 C ATOM 83 C TYR A 6 2.352 -2.185 8.163 1.00 0.00 C ATOM 84 O TYR A 6 1.662 -1.722 9.059 1.00 0.00 O ATOM 85 CB TYR A 6 2.486 -4.519 7.383 1.00 0.00 C ATOM 86 CG TYR A 6 2.976 -4.926 8.700 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.162 -5.005 9.796 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.242 -5.453 8.734 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.587 -5.662 10.918 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.675 -6.120 9.855 1.00 0.00 C ATOM 91 CZ TYR A 6 3.842 -6.232 10.954 1.00 0.00 C ATOM 92 OH TYR A 6 4.258 -6.937 12.100 1.00 0.00 O ATOM 0 H TYR A 6 2.349 -3.634 5.390 1.00 0.00 H new ATOM 0 HA TYR A 6 0.705 -3.264 7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.830 -5.306 7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.340 -4.471 6.708 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.183 -4.549 9.776 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.897 -5.344 7.882 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.938 -5.734 11.778 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.663 -6.556 9.878 1.00 0.00 H new ATOM 0 HH TYR A 6 5.167 -7.277 11.963 1.00 0.00 H new ATOM 102 N THR A 7 3.629 -1.807 7.960 1.00 0.00 N ATOM 103 CA THR A 7 4.231 -0.827 8.825 1.00 0.00 C ATOM 104 C THR A 7 4.021 0.618 8.388 1.00 0.00 C ATOM 105 O THR A 7 4.554 1.540 8.995 1.00 0.00 O ATOM 106 CB THR A 7 5.597 -1.247 9.340 1.00 0.00 C ATOM 107 OG1 THR A 7 6.316 -0.216 10.001 1.00 0.00 O ATOM 108 CG2 THR A 7 6.453 -1.861 8.225 1.00 0.00 C ATOM 0 H THR A 7 4.233 -2.165 7.220 1.00 0.00 H new ATOM 0 HA THR A 7 3.653 -0.811 9.749 1.00 0.00 H new ATOM 0 HB THR A 7 5.389 -2.005 10.096 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.830 0.630 9.913 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.423 -2.150 8.629 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.950 -2.741 7.823 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.594 -1.129 7.430 1.00 0.00 H new ATOM 116 N HIS A 8 3.149 0.877 7.383 1.00 0.00 N ATOM 117 CA HIS A 8 2.534 2.176 7.232 1.00 0.00 C ATOM 118 C HIS A 8 1.432 2.270 8.237 1.00 0.00 C ATOM 119 O HIS A 8 1.269 3.297 8.902 1.00 0.00 O ATOM 120 CB HIS A 8 1.900 2.447 5.856 1.00 0.00 C ATOM 121 CG HIS A 8 2.908 2.634 4.764 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.567 2.574 3.441 1.00 0.00 N ATOM 123 CD2 HIS A 8 4.229 2.923 4.825 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.653 2.813 2.719 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.676 3.029 3.535 1.00 0.00 N ATOM 0 H HIS A 8 2.870 0.193 6.679 1.00 0.00 H new ATOM 0 HA HIS A 8 3.334 2.905 7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.244 1.616 5.596 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.276 3.338 5.921 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.819 3.047 5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.697 2.829 1.640 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.633 3.238 3.250 1.00 0.00 H new ATOM 134 N PHE A 9 0.674 1.157 8.368 1.00 0.00 N ATOM 135 CA PHE A 9 -0.307 0.968 9.412 1.00 0.00 C ATOM 136 C PHE A 9 0.336 1.041 10.779 1.00 0.00 C ATOM 137 O PHE A 9 -0.268 1.589 11.691 1.00 0.00 O ATOM 138 CB PHE A 9 -1.156 -0.319 9.205 1.00 0.00 C ATOM 139 CG PHE A 9 -1.636 -0.995 10.458 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.651 -0.449 11.228 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.144 -2.247 10.800 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.095 -1.093 12.366 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.660 -2.937 11.878 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.604 -2.342 12.685 1.00 0.00 C ATOM 0 H PHE A 9 0.743 0.364 7.731 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.017 1.793 9.351 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.024 -0.065 8.597 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.564 -1.034 8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.099 0.489 10.935 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.349 -2.686 10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.825 -0.620 13.005 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.324 -3.942 12.088 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.960 -2.853 13.567 1.00 0.00 H new ATOM 154 N LEU A 10 1.572 0.526 10.963 1.00 0.00 N ATOM 155 CA LEU A 10 2.274 0.594 12.222 1.00 0.00 C ATOM 156 C LEU A 10 3.005 1.885 12.440 1.00 0.00 C ATOM 157 O LEU A 10 3.362 2.165 13.580 1.00 0.00 O ATOM 158 CB LEU A 10 3.264 -0.552 12.427 1.00 0.00 C ATOM 159 CG LEU A 10 2.615 -1.946 12.333 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.577 -2.992 12.860 1.00 0.00 C ATOM 161 CD2 LEU A 10 1.315 -2.145 13.113 1.00 0.00 C ATOM 0 H LEU A 10 2.096 0.053 10.226 1.00 0.00 H new ATOM 0 HA LEU A 10 1.471 0.515 12.955 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.055 -0.477 11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.736 -0.444 13.404 1.00 0.00 H new ATOM 0 HG LEU A 10 2.378 -2.044 11.274 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.116 -3.977 12.793 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.491 -2.978 12.266 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.817 -2.774 13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.956 -3.164 12.968 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.497 -1.972 14.174 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.564 -1.441 12.754 1.00 0.00 H new ATOM 173 N THR A 11 3.239 2.713 11.395 1.00 0.00 N ATOM 174 CA THR A 11 3.696 4.068 11.614 1.00 0.00 C ATOM 175 C THR A 11 2.616 4.838 12.308 1.00 0.00 C ATOM 176 O THR A 11 2.874 5.512 13.303 1.00 0.00 O ATOM 177 CB THR A 11 4.124 4.813 10.363 1.00 0.00 C ATOM 178 OG1 THR A 11 5.246 4.159 9.794 1.00 0.00 O ATOM 179 CG2 THR A 11 4.538 6.267 10.672 1.00 0.00 C ATOM 0 H THR A 11 3.116 2.455 10.416 1.00 0.00 H new ATOM 0 HA THR A 11 4.596 3.986 12.224 1.00 0.00 H new ATOM 0 HB THR A 11 3.274 4.824 9.681 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.993 3.252 9.523 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.837 6.764 9.749 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.696 6.799 11.114 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.374 6.266 11.371 1.00 0.00 H new ATOM 187 N GLN A 12 1.382 4.741 11.783 1.00 0.00 N ATOM 188 CA GLN A 12 0.258 5.470 12.312 1.00 0.00 C ATOM 189 C GLN A 12 -0.226 4.933 13.617 1.00 0.00 C ATOM 190 O GLN A 12 -0.660 5.708 14.465 1.00 0.00 O ATOM 191 CB GLN A 12 -0.961 5.400 11.378 1.00 0.00 C ATOM 192 CG GLN A 12 -0.706 5.956 9.977 1.00 0.00 C ATOM 193 CD GLN A 12 -1.971 5.710 9.159 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.297 4.566 8.820 1.00 0.00 O ATOM 195 NE2 GLN A 12 -2.696 6.827 8.847 1.00 0.00 N ATOM 0 H GLN A 12 1.155 4.152 10.982 1.00 0.00 H new ATOM 0 HA GLN A 12 0.634 6.487 12.424 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.281 4.361 11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.785 5.951 11.832 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.477 7.021 10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.151 5.464 9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.376 7.745 9.155 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.557 6.742 8.306 1.00 0.00 H new ATOM 204 N HIS A 13 -0.205 3.599 13.787 1.00 0.00 N ATOM 205 CA HIS A 13 -0.844 2.985 14.907 1.00 0.00 C ATOM 206 C HIS A 13 0.171 2.561 15.911 1.00 0.00 C ATOM 207 O HIS A 13 0.039 2.926 17.073 1.00 0.00 O ATOM 208 CB HIS A 13 -1.742 1.801 14.515 1.00 0.00 C ATOM 209 CG HIS A 13 -2.902 2.274 13.682 1.00 0.00 C ATOM 210 ND1 HIS A 13 -2.979 2.642 12.381 1.00 0.00 N flip ATOM 211 CD2 HIS A 13 -4.110 2.565 14.248 1.00 0.00 C flip ATOM 212 CE1 HIS A 13 -4.234 3.146 12.176 1.00 0.00 C flip ATOM 213 NE2 HIS A 13 -4.896 3.091 13.322 1.00 0.00 N flip ATOM 0 H HIS A 13 0.254 2.948 13.150 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.499 3.737 15.346 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.162 1.066 13.957 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.110 1.303 15.412 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.239 2.559 11.684 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.379 2.394 15.280 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.619 3.524 11.240 1.00 0.00 H new ATOM 222 N TYR A 14 1.197 1.774 15.520 1.00 0.00 N ATOM 223 CA TYR A 14 2.043 1.149 16.500 1.00 0.00 C ATOM 224 C TYR A 14 3.000 2.152 17.070 1.00 0.00 C ATOM 225 O TYR A 14 3.866 2.687 16.381 1.00 0.00 O ATOM 226 CB TYR A 14 2.830 -0.042 15.957 1.00 0.00 C ATOM 227 CG TYR A 14 3.593 -0.778 17.000 1.00 0.00 C ATOM 228 CD1 TYR A 14 3.086 -1.122 18.241 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.856 -1.201 16.656 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.851 -1.850 19.129 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.650 -1.854 17.571 1.00 0.00 C ATOM 232 CZ TYR A 14 5.146 -2.193 18.804 1.00 0.00 C ATOM 233 OH TYR A 14 5.953 -2.909 19.710 1.00 0.00 O ATOM 0 H TYR A 14 1.438 1.573 14.549 1.00 0.00 H new ATOM 0 HA TYR A 14 1.377 0.767 17.274 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.140 -0.731 15.470 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.523 0.309 15.192 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.086 -0.819 18.516 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.228 -1.019 15.659 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.435 -2.151 20.079 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.671 -2.101 17.320 1.00 0.00 H new ATOM 0 HH TYR A 14 5.436 -3.115 20.517 1.00 0.00 H new ATOM 243 N ASP A 15 2.836 2.408 18.377 1.00 0.00 N ATOM 244 CA ASP A 15 3.687 3.259 19.129 1.00 0.00 C ATOM 245 C ASP A 15 3.870 2.415 20.333 1.00 0.00 C ATOM 246 O ASP A 15 2.992 2.361 21.187 1.00 0.00 O ATOM 247 CB ASP A 15 3.055 4.605 19.524 1.00 0.00 C ATOM 248 CG ASP A 15 4.052 5.321 20.426 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.175 5.626 19.941 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.704 5.578 21.609 1.00 0.00 O ATOM 0 H ASP A 15 2.079 2.004 18.928 1.00 0.00 H new ATOM 0 HA ASP A 15 4.583 3.556 18.584 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.838 5.203 18.639 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.109 4.449 20.043 1.00 0.00 H new ATOM 255 N ALA A 16 5.013 1.705 20.363 1.00 0.00 N ATOM 256 CA ALA A 16 5.333 0.602 21.239 1.00 0.00 C ATOM 257 C ALA A 16 5.066 0.781 22.699 1.00 0.00 C ATOM 258 O ALA A 16 4.617 -0.159 23.353 1.00 0.00 O ATOM 259 CB ALA A 16 6.778 0.122 21.062 1.00 0.00 C ATOM 0 H ALA A 16 5.780 1.915 19.724 1.00 0.00 H new ATOM 0 HA ALA A 16 4.618 -0.149 20.903 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.971 -0.708 21.741 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.928 -0.208 20.034 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.463 0.940 21.284 1.00 0.00 H new ATOM 265 N LYS A 17 5.308 1.987 23.237 1.00 0.00 N ATOM 266 CA LYS A 17 4.810 2.310 24.541 1.00 0.00 C ATOM 267 C LYS A 17 4.809 3.818 24.608 1.00 0.00 C ATOM 268 O LYS A 17 5.810 4.423 24.226 1.00 0.00 O ATOM 269 CB LYS A 17 5.708 1.790 25.689 1.00 0.00 C ATOM 270 CG LYS A 17 5.099 1.970 27.088 1.00 0.00 C ATOM 271 CD LYS A 17 5.961 1.349 28.195 1.00 0.00 C ATOM 272 CE LYS A 17 5.343 1.494 29.590 1.00 0.00 C ATOM 273 NZ LYS A 17 5.234 2.920 29.968 1.00 0.00 N ATOM 0 H LYS A 17 5.839 2.729 22.781 1.00 0.00 H new ATOM 0 HA LYS A 17 3.831 1.848 24.672 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.912 0.732 25.526 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.666 2.309 25.651 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.969 3.033 27.289 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.107 1.518 27.109 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.112 0.291 27.979 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.944 1.820 28.189 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.356 1.032 29.606 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.954 0.965 30.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.799 3.097 30.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.588 3.513 29.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.238 3.154 30.156 1.00 0.00 H new ATOM 287 N PRO A 18 3.749 4.449 25.095 1.00 0.00 N ATOM 288 CA PRO A 18 3.657 5.882 25.174 1.00 0.00 C ATOM 289 C PRO A 18 4.532 6.507 26.213 1.00 0.00 C ATOM 290 O PRO A 18 5.196 5.817 26.988 1.00 0.00 O ATOM 291 CB PRO A 18 2.234 6.113 25.658 1.00 0.00 C ATOM 292 CG PRO A 18 1.422 4.997 25.028 1.00 0.00 C ATOM 293 CD PRO A 18 2.443 3.881 24.841 1.00 0.00 C ATOM 0 HA PRO A 18 3.944 6.310 24.213 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.176 6.078 26.746 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.866 7.092 25.350 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.599 4.686 25.672 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.985 5.305 24.078 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.242 3.057 25.526 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.390 3.476 23.830 1.00 0.00 H new ATOM 301 N GLN A 19 4.463 7.855 26.244 1.00 0.00 N ATOM 302 CA GLN A 19 5.027 8.680 27.271 1.00 0.00 C ATOM 303 C GLN A 19 4.191 8.478 28.491 1.00 0.00 C ATOM 304 O GLN A 19 4.668 8.030 29.532 1.00 0.00 O ATOM 305 CB GLN A 19 4.987 10.177 26.901 1.00 0.00 C ATOM 306 CG GLN A 19 5.790 10.515 25.640 1.00 0.00 C ATOM 307 CD GLN A 19 5.467 11.958 25.251 1.00 0.00 C ATOM 308 OE1 GLN A 19 4.856 12.210 24.205 1.00 0.00 O ATOM 309 NE2 GLN A 19 5.892 12.918 26.126 1.00 0.00 N ATOM 0 H GLN A 19 3.991 8.393 25.517 1.00 0.00 H new ATOM 0 HA GLN A 19 6.071 8.404 27.419 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.950 10.480 26.754 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.374 10.760 27.736 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.858 10.400 25.825 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.532 9.834 24.829 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.392 12.650 26.974 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.709 13.902 25.931 1.00 0.00 H new ATOM 318 N GLY A 20 2.897 8.799 28.349 1.00 0.00 N ATOM 319 CA GLY A 20 1.906 8.478 29.328 1.00 0.00 C ATOM 320 C GLY A 20 0.681 8.222 28.541 1.00 0.00 C ATOM 321 O GLY A 20 0.691 8.297 27.317 1.00 0.00 O ATOM 0 H GLY A 20 2.528 9.293 27.536 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.193 7.604 29.912 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.762 9.298 30.032 1.00 0.00 H new ATOM 325 N ARG A 21 -0.412 7.908 29.249 1.00 0.00 N ATOM 326 CA ARG A 21 -1.669 7.586 28.629 1.00 0.00 C ATOM 327 C ARG A 21 -2.538 8.781 28.878 1.00 0.00 C ATOM 328 O ARG A 21 -3.435 8.742 29.719 1.00 0.00 O ATOM 329 CB ARG A 21 -2.340 6.330 29.238 1.00 0.00 C ATOM 330 CG ARG A 21 -1.883 4.967 28.670 1.00 0.00 C ATOM 331 CD ARG A 21 -0.372 4.718 28.695 1.00 0.00 C ATOM 332 NE ARG A 21 -0.092 3.287 28.397 1.00 0.00 N ATOM 333 CZ ARG A 21 1.202 2.852 28.360 1.00 0.00 C ATOM 334 NH1 ARG A 21 2.225 3.720 28.614 1.00 0.00 N ATOM 335 NH2 ARG A 21 1.480 1.551 28.058 1.00 0.00 N ATOM 0 H ARG A 21 -0.432 7.875 30.268 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.521 7.362 27.573 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.158 6.332 30.313 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.418 6.415 29.098 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.374 4.174 29.234 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.230 4.887 27.640 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.123 5.355 27.962 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.033 4.982 29.672 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.859 2.638 28.222 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.024 4.696 28.832 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.191 3.393 28.586 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.720 0.900 27.859 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.448 1.229 28.031 1.00 0.00 H new ATOM 349 N ASP A 22 -2.266 9.893 28.157 1.00 0.00 N ATOM 350 CA ASP A 22 -2.952 11.126 28.422 1.00 0.00 C ATOM 351 C ASP A 22 -2.910 11.990 27.206 1.00 0.00 C ATOM 352 O ASP A 22 -2.259 11.665 26.215 1.00 0.00 O ATOM 353 CB ASP A 22 -2.395 11.919 29.626 1.00 0.00 C ATOM 354 CG ASP A 22 -0.983 12.444 29.370 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.051 11.625 29.158 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.819 13.693 29.409 1.00 0.00 O ATOM 0 H ASP A 22 -1.581 9.937 27.402 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.974 10.851 28.682 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.058 12.756 29.845 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.388 11.279 30.508 1.00 0.00 H new ATOM 361 N ASP A 23 -3.641 13.126 27.279 1.00 0.00 N ATOM 362 CA ASP A 23 -3.935 13.999 26.175 1.00 0.00 C ATOM 363 C ASP A 23 -2.749 14.768 25.674 1.00 0.00 C ATOM 364 O ASP A 23 -2.764 15.232 24.536 1.00 0.00 O ATOM 365 CB ASP A 23 -5.054 15.016 26.496 1.00 0.00 C ATOM 366 CG ASP A 23 -4.647 15.975 27.614 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.514 15.524 28.783 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.487 17.188 27.309 1.00 0.00 O ATOM 0 H ASP A 23 -4.048 13.452 28.156 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.265 13.313 25.395 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.295 15.586 25.599 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.958 14.481 26.787 1.00 0.00 H new ATOM 373 N ARG A 24 -1.694 14.919 26.505 1.00 0.00 N ATOM 374 CA ARG A 24 -0.497 15.609 26.118 1.00 0.00 C ATOM 375 C ARG A 24 0.353 14.681 25.308 1.00 0.00 C ATOM 376 O ARG A 24 1.088 15.125 24.423 1.00 0.00 O ATOM 377 CB ARG A 24 0.306 16.111 27.336 1.00 0.00 C ATOM 378 CG ARG A 24 1.426 17.108 26.995 1.00 0.00 C ATOM 379 CD ARG A 24 2.155 17.642 28.234 1.00 0.00 C ATOM 380 NE ARG A 24 1.181 18.422 29.051 1.00 0.00 N ATOM 381 CZ ARG A 24 1.561 18.994 30.232 1.00 0.00 C ATOM 382 NH1 ARG A 24 2.843 18.861 30.681 1.00 0.00 N ATOM 383 NH2 ARG A 24 0.653 19.701 30.966 1.00 0.00 N ATOM 0 H ARG A 24 -1.673 14.557 27.458 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.784 16.484 25.534 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.381 16.582 28.039 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.744 15.253 27.845 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.148 16.623 26.337 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.002 17.946 26.441 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.566 16.818 28.817 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.994 18.273 27.939 1.00 0.00 H new ATOM 0 HE ARG A 24 0.221 18.530 28.724 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.523 18.333 30.134 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.121 19.290 31.563 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.306 19.801 30.632 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.933 20.129 31.848 1.00 0.00 H new ATOM 397 N TYR A 25 0.240 13.359 25.589 1.00 0.00 N ATOM 398 CA TYR A 25 0.959 12.354 24.859 1.00 0.00 C ATOM 399 C TYR A 25 0.331 12.256 23.517 1.00 0.00 C ATOM 400 O TYR A 25 1.056 12.130 22.533 1.00 0.00 O ATOM 401 CB TYR A 25 0.964 10.959 25.536 1.00 0.00 C ATOM 402 CG TYR A 25 0.977 9.826 24.544 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.116 9.478 23.831 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.183 9.089 24.346 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.070 8.468 22.890 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.227 8.078 23.409 1.00 0.00 C ATOM 407 CZ TYR A 25 0.897 7.774 22.675 1.00 0.00 C ATOM 408 OH TYR A 25 0.848 6.743 21.715 1.00 0.00 O ATOM 0 H TYR A 25 -0.356 12.989 26.329 1.00 0.00 H new ATOM 0 HA TYR A 25 2.005 12.656 24.812 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.837 10.878 26.184 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.085 10.867 26.173 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.044 10.000 24.013 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.062 9.310 24.933 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.954 8.221 22.321 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.142 7.526 23.251 1.00 0.00 H new ATOM 0 HH TYR A 25 1.734 6.333 21.630 1.00 0.00 H new ATOM 418 N CYS A 26 -1.020 12.297 23.446 1.00 0.00 N ATOM 419 CA CYS A 26 -1.650 12.010 22.199 1.00 0.00 C ATOM 420 C CYS A 26 -1.645 13.171 21.259 1.00 0.00 C ATOM 421 O CYS A 26 -1.668 12.976 20.046 1.00 0.00 O ATOM 422 CB CYS A 26 -3.023 11.361 22.251 1.00 0.00 C ATOM 423 SG CYS A 26 -3.059 10.243 20.827 1.00 0.00 S ATOM 0 H CYS A 26 -1.647 12.519 24.219 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.001 11.229 21.803 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.169 10.818 23.185 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.816 12.107 22.189 1.00 0.00 H new ATOM 428 N GLU A 27 -1.572 14.407 21.795 1.00 0.00 N ATOM 429 CA GLU A 27 -1.387 15.568 20.971 1.00 0.00 C ATOM 430 C GLU A 27 0.010 15.605 20.438 1.00 0.00 C ATOM 431 O GLU A 27 0.201 16.015 19.294 1.00 0.00 O ATOM 432 CB GLU A 27 -1.662 16.900 21.687 1.00 0.00 C ATOM 433 CG GLU A 27 -3.162 17.150 21.863 1.00 0.00 C ATOM 434 CD GLU A 27 -3.365 18.425 22.665 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.948 19.508 22.175 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.948 18.333 23.778 1.00 0.00 O ATOM 0 H GLU A 27 -1.641 14.602 22.794 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.120 15.471 20.171 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.177 16.895 22.663 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.221 17.718 21.116 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.645 17.237 20.890 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.626 16.307 22.374 1.00 0.00 H new ATOM 443 N SER A 28 1.006 15.170 21.250 1.00 0.00 N ATOM 444 CA SER A 28 2.382 15.127 20.831 1.00 0.00 C ATOM 445 C SER A 28 2.630 14.144 19.727 1.00 0.00 C ATOM 446 O SER A 28 3.353 14.454 18.784 1.00 0.00 O ATOM 447 CB SER A 28 3.358 14.797 21.974 1.00 0.00 C ATOM 448 OG SER A 28 4.699 14.832 21.507 1.00 0.00 O ATOM 0 H SER A 28 0.853 14.846 22.205 1.00 0.00 H new ATOM 0 HA SER A 28 2.570 16.139 20.473 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.231 15.512 22.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.133 13.810 22.379 1.00 0.00 H new ATOM 0 HG SER A 28 5.308 14.622 22.245 1.00 0.00 H new ATOM 454 N ILE A 29 2.039 12.938 19.815 1.00 0.00 N ATOM 455 CA ILE A 29 2.314 11.885 18.870 1.00 0.00 C ATOM 456 C ILE A 29 1.537 12.076 17.606 1.00 0.00 C ATOM 457 O ILE A 29 1.984 11.660 16.541 1.00 0.00 O ATOM 458 CB ILE A 29 2.151 10.473 19.412 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.699 9.427 18.426 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.687 10.178 19.772 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.866 8.055 19.048 1.00 0.00 C ATOM 0 H ILE A 29 1.368 12.686 20.541 1.00 0.00 H new ATOM 0 HA ILE A 29 3.378 11.976 18.653 1.00 0.00 H new ATOM 0 HB ILE A 29 2.739 10.406 20.328 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.025 9.353 17.572 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.662 9.766 18.044 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.605 9.161 20.156 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.351 10.882 20.533 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.066 10.281 18.882 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.256 7.362 18.302 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.562 8.117 19.884 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.900 7.698 19.406 1.00 0.00 H new ATOM 473 N MET A 30 0.361 12.730 17.681 1.00 0.00 N ATOM 474 CA MET A 30 -0.413 13.001 16.506 1.00 0.00 C ATOM 475 C MET A 30 0.214 14.102 15.714 1.00 0.00 C ATOM 476 O MET A 30 0.082 14.129 14.493 1.00 0.00 O ATOM 477 CB MET A 30 -1.828 13.447 16.851 1.00 0.00 C ATOM 478 CG MET A 30 -2.763 12.271 17.178 1.00 0.00 C ATOM 479 SD MET A 30 -3.642 11.634 15.726 1.00 0.00 S ATOM 480 CE MET A 30 -4.979 10.780 16.610 1.00 0.00 C ATOM 0 H MET A 30 -0.052 13.069 18.550 1.00 0.00 H new ATOM 0 HA MET A 30 -0.447 12.073 15.936 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.792 14.124 17.704 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.240 14.010 16.014 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.181 11.465 17.625 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.491 12.590 17.924 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.838 10.667 15.949 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.634 9.796 16.928 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.268 11.363 17.484 1.00 0.00 H new ATOM 490 N ARG A 31 0.909 15.030 16.404 1.00 0.00 N ATOM 491 CA ARG A 31 1.704 16.056 15.786 1.00 0.00 C ATOM 492 C ARG A 31 2.896 15.482 15.058 1.00 0.00 C ATOM 493 O ARG A 31 3.182 15.900 13.936 1.00 0.00 O ATOM 494 CB ARG A 31 2.230 17.079 16.818 1.00 0.00 C ATOM 495 CG ARG A 31 2.655 18.447 16.256 1.00 0.00 C ATOM 496 CD ARG A 31 1.506 19.310 15.715 1.00 0.00 C ATOM 497 NE ARG A 31 0.478 19.471 16.785 1.00 0.00 N ATOM 498 CZ ARG A 31 -0.657 20.195 16.556 1.00 0.00 C ATOM 499 NH1 ARG A 31 -0.830 20.843 15.367 1.00 0.00 N ATOM 500 NH2 ARG A 31 -1.622 20.268 17.519 1.00 0.00 N ATOM 0 H ARG A 31 0.919 15.069 17.423 1.00 0.00 H new ATOM 0 HA ARG A 31 1.041 16.553 15.078 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.455 17.241 17.567 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.084 16.639 17.333 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.168 19.002 17.041 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.377 18.286 15.455 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.881 20.285 15.403 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.065 18.842 14.835 1.00 0.00 H new ATOM 0 HE ARG A 31 0.625 19.036 17.696 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.110 20.787 14.646 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.679 21.383 15.199 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.494 19.782 18.407 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.471 20.808 17.351 1.00 0.00 H new ATOM 514 N ARG A 32 3.634 14.536 15.694 1.00 0.00 N ATOM 515 CA ARG A 32 4.904 14.067 15.189 1.00 0.00 C ATOM 516 C ARG A 32 4.760 13.050 14.097 1.00 0.00 C ATOM 517 O ARG A 32 5.529 13.091 13.137 1.00 0.00 O ATOM 518 CB ARG A 32 5.832 13.449 16.254 1.00 0.00 C ATOM 519 CG ARG A 32 6.818 14.456 16.875 1.00 0.00 C ATOM 520 CD ARG A 32 6.163 15.514 17.765 1.00 0.00 C ATOM 521 NE ARG A 32 7.206 16.471 18.223 1.00 0.00 N ATOM 522 CZ ARG A 32 6.860 17.519 19.027 1.00 0.00 C ATOM 523 NH1 ARG A 32 5.562 17.690 19.413 1.00 0.00 N ATOM 524 NH2 ARG A 32 7.816 18.398 19.446 1.00 0.00 N ATOM 0 H ARG A 32 3.347 14.093 16.567 1.00 0.00 H new ATOM 0 HA ARG A 32 5.357 14.983 14.810 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.222 13.015 17.047 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.396 12.633 15.802 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.555 13.909 17.463 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.359 14.958 16.073 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.384 16.041 17.214 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.683 15.041 18.622 1.00 0.00 H new ATOM 0 HE ARG A 32 8.177 16.345 17.937 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.846 17.034 19.101 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.308 18.474 20.014 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.786 18.271 19.159 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.560 19.182 20.047 1.00 0.00 H new ATOM 538 N ARG A 33 3.784 12.116 14.214 1.00 0.00 N ATOM 539 CA ARG A 33 3.479 11.180 13.157 1.00 0.00 C ATOM 540 C ARG A 33 2.833 11.922 12.031 1.00 0.00 C ATOM 541 O ARG A 33 3.123 11.668 10.862 1.00 0.00 O ATOM 542 CB ARG A 33 2.514 10.048 13.569 1.00 0.00 C ATOM 543 CG ARG A 33 3.203 8.738 13.980 1.00 0.00 C ATOM 544 CD ARG A 33 4.238 8.898 15.096 1.00 0.00 C ATOM 545 NE ARG A 33 4.435 7.571 15.754 1.00 0.00 N ATOM 546 CZ ARG A 33 5.361 6.664 15.322 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.148 6.925 14.239 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.493 5.475 15.982 1.00 0.00 N ATOM 0 H ARG A 33 3.203 12.008 15.045 1.00 0.00 H new ATOM 0 HA ARG A 33 4.428 10.719 12.882 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.900 10.396 14.400 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.839 9.843 12.738 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.443 8.027 14.304 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.691 8.307 13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.181 9.262 14.689 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.899 9.635 15.824 1.00 0.00 H new ATOM 0 HE ARG A 33 3.855 7.333 16.558 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.050 7.808 13.738 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.834 6.237 13.930 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.903 5.271 16.789 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.181 4.791 15.668 1.00 0.00 H new ATOM 562 N GLY A 34 1.959 12.877 12.387 1.00 0.00 N ATOM 563 CA GLY A 34 1.382 13.800 11.458 1.00 0.00 C ATOM 564 C GLY A 34 0.174 13.195 10.855 1.00 0.00 C ATOM 565 O GLY A 34 0.127 12.914 9.658 1.00 0.00 O ATOM 0 H GLY A 34 1.643 13.013 13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.123 14.730 11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.104 14.051 10.681 1.00 0.00 H new ATOM 569 N LEU A 35 -0.860 13.043 11.706 1.00 0.00 N ATOM 570 CA LEU A 35 -2.198 12.803 11.264 1.00 0.00 C ATOM 571 C LEU A 35 -2.925 14.040 11.682 1.00 0.00 C ATOM 572 O LEU A 35 -4.142 14.036 11.853 1.00 0.00 O ATOM 573 CB LEU A 35 -2.911 11.646 11.983 1.00 0.00 C ATOM 574 CG LEU A 35 -2.126 10.317 12.100 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.970 9.239 12.804 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.644 9.786 10.740 1.00 0.00 C ATOM 0 H LEU A 35 -0.763 13.088 12.720 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.184 12.559 10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.172 11.978 12.988 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.847 11.445 11.461 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.243 10.540 12.699 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.396 8.315 12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.233 9.579 13.806 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.880 9.058 12.232 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.100 8.853 10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.503 9.608 10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.986 10.520 10.275 1.00 0.00 H new ATOM 588 N THR A 36 -2.151 15.130 11.880 1.00 0.00 N ATOM 589 CA THR A 36 -2.628 16.360 12.445 1.00 0.00 C ATOM 590 C THR A 36 -3.013 17.290 11.338 1.00 0.00 C ATOM 591 O THR A 36 -3.557 18.365 11.577 1.00 0.00 O ATOM 592 CB THR A 36 -1.586 16.994 13.344 1.00 0.00 C ATOM 593 OG1 THR A 36 -2.100 18.123 14.030 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.318 17.391 12.558 1.00 0.00 C ATOM 0 H THR A 36 -1.160 15.154 11.638 1.00 0.00 H new ATOM 0 HA THR A 36 -3.501 16.151 13.063 1.00 0.00 H new ATOM 0 HB THR A 36 -1.313 16.238 14.080 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.079 18.090 14.027 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.405 17.842 13.238 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.119 16.504 12.100 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.581 18.108 11.781 1.00 0.00 H new ATOM 602 N SER A 37 -2.741 16.881 10.084 1.00 0.00 N ATOM 603 CA SER A 37 -3.028 17.721 8.953 1.00 0.00 C ATOM 604 C SER A 37 -3.737 16.895 7.920 1.00 0.00 C ATOM 605 O SER A 37 -3.066 16.139 7.220 1.00 0.00 O ATOM 606 CB SER A 37 -1.759 18.312 8.317 1.00 0.00 C ATOM 607 OG SER A 37 -2.107 19.140 7.217 1.00 0.00 O ATOM 0 H SER A 37 -2.327 15.979 9.851 1.00 0.00 H new ATOM 0 HA SER A 37 -3.640 18.552 9.302 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.207 18.890 9.058 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.101 17.509 7.984 1.00 0.00 H new ATOM 0 HG SER A 37 -1.293 19.514 6.819 1.00 0.00 H new ATOM 613 N PRO A 38 -5.051 16.976 7.734 1.00 0.00 N ATOM 614 CA PRO A 38 -6.045 17.511 8.636 1.00 0.00 C ATOM 615 C PRO A 38 -6.209 16.528 9.762 1.00 0.00 C ATOM 616 O PRO A 38 -5.783 15.380 9.622 1.00 0.00 O ATOM 617 CB PRO A 38 -7.321 17.562 7.793 1.00 0.00 C ATOM 618 CG PRO A 38 -7.149 16.448 6.758 1.00 0.00 C ATOM 619 CD PRO A 38 -5.637 16.412 6.533 1.00 0.00 C ATOM 0 HA PRO A 38 -5.794 18.485 9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.207 17.399 8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.440 18.533 7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.524 15.494 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.688 16.667 5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.289 15.392 6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.358 16.990 5.652 1.00 0.00 H new ATOM 627 N CYS A 39 -6.823 16.981 10.885 1.00 0.00 N ATOM 628 CA CYS A 39 -7.018 16.206 12.069 1.00 0.00 C ATOM 629 C CYS A 39 -7.830 14.986 11.774 1.00 0.00 C ATOM 630 O CYS A 39 -8.931 15.069 11.228 1.00 0.00 O ATOM 631 CB CYS A 39 -7.830 16.963 13.134 1.00 0.00 C ATOM 632 SG CYS A 39 -7.228 18.634 13.516 1.00 0.00 S ATOM 0 H CYS A 39 -7.195 17.927 10.962 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.016 15.972 12.427 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.864 17.034 12.798 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.833 16.376 14.052 1.00 0.00 H new ATOM 637 N LYS A 40 -7.269 13.819 12.152 1.00 0.00 N ATOM 638 CA LYS A 40 -7.936 12.557 12.060 1.00 0.00 C ATOM 639 C LYS A 40 -8.902 12.547 13.198 1.00 0.00 C ATOM 640 O LYS A 40 -8.576 13.002 14.292 1.00 0.00 O ATOM 641 CB LYS A 40 -6.941 11.380 12.182 1.00 0.00 C ATOM 642 CG LYS A 40 -7.542 9.969 12.067 1.00 0.00 C ATOM 643 CD LYS A 40 -8.268 9.683 10.745 1.00 0.00 C ATOM 644 CE LYS A 40 -8.830 8.260 10.689 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.540 8.039 9.411 1.00 0.00 N ATOM 0 H LYS A 40 -6.325 13.754 12.532 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.429 12.435 11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.181 11.493 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.433 11.459 13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.743 9.238 12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.242 9.820 12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.081 10.398 10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.578 9.832 9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.020 7.538 10.793 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.511 8.098 11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.916 7.070 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.324 8.717 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.880 8.174 8.619 1.00 0.00 H new ATOM 659 N ASP A 41 -10.128 12.047 12.936 1.00 0.00 N ATOM 660 CA ASP A 41 -11.214 12.132 13.869 1.00 0.00 C ATOM 661 C ASP A 41 -11.042 11.163 14.988 1.00 0.00 C ATOM 662 O ASP A 41 -11.329 11.505 16.132 1.00 0.00 O ATOM 663 CB ASP A 41 -12.579 11.857 13.225 1.00 0.00 C ATOM 664 CG ASP A 41 -12.772 12.864 12.101 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.787 14.089 12.397 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.907 12.421 10.929 1.00 0.00 O ATOM 0 H ASP A 41 -10.368 11.577 12.063 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.194 13.158 14.238 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.621 10.839 12.838 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.376 11.950 13.963 1.00 0.00 H new ATOM 671 N ILE A 42 -10.585 9.929 14.695 1.00 0.00 N ATOM 672 CA ILE A 42 -10.329 9.001 15.755 1.00 0.00 C ATOM 673 C ILE A 42 -9.254 8.078 15.278 1.00 0.00 C ATOM 674 O ILE A 42 -9.340 7.510 14.190 1.00 0.00 O ATOM 675 CB ILE A 42 -11.577 8.285 16.260 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.292 7.546 17.581 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.225 7.387 15.183 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.569 7.319 18.389 1.00 0.00 C ATOM 0 H ILE A 42 -10.398 9.582 13.754 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.990 9.536 16.642 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.327 9.045 16.479 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.822 6.586 17.367 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.583 8.123 18.175 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.109 6.902 15.597 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.513 7.996 14.326 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.511 6.628 14.864 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.326 6.795 19.313 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.025 8.280 18.626 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.267 6.720 17.805 1.00 0.00 H new ATOM 690 N ASN A 43 -8.187 7.933 16.092 1.00 0.00 N ATOM 691 CA ASN A 43 -7.132 7.020 15.735 1.00 0.00 C ATOM 692 C ASN A 43 -6.541 6.475 16.988 1.00 0.00 C ATOM 693 O ASN A 43 -6.212 7.214 17.913 1.00 0.00 O ATOM 694 CB ASN A 43 -5.990 7.634 14.902 1.00 0.00 C ATOM 695 CG ASN A 43 -5.218 6.521 14.192 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.746 5.892 13.267 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.941 6.299 14.628 1.00 0.00 N ATOM 0 H ASN A 43 -8.053 8.430 16.972 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.595 6.259 15.108 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.395 8.333 14.171 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.319 8.201 15.548 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.368 5.581 14.184 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.561 6.852 15.397 1.00 0.00 H new ATOM 704 N THR A 44 -6.395 5.138 17.011 1.00 0.00 N ATOM 705 CA THR A 44 -5.898 4.420 18.141 1.00 0.00 C ATOM 706 C THR A 44 -4.445 4.168 17.943 1.00 0.00 C ATOM 707 O THR A 44 -4.055 3.561 16.950 1.00 0.00 O ATOM 708 CB THR A 44 -6.609 3.102 18.263 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.996 3.368 18.343 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.178 2.329 19.517 1.00 0.00 C ATOM 0 H THR A 44 -6.630 4.540 16.219 1.00 0.00 H new ATOM 0 HA THR A 44 -6.065 5.004 19.046 1.00 0.00 H new ATOM 0 HB THR A 44 -6.361 2.488 17.397 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.498 2.546 18.161 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.717 1.383 19.564 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.106 2.134 19.474 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.404 2.920 20.404 1.00 0.00 H new ATOM 718 N PHE A 45 -3.612 4.601 18.912 1.00 0.00 N ATOM 719 CA PHE A 45 -2.239 4.187 18.916 1.00 0.00 C ATOM 720 C PHE A 45 -2.198 2.931 19.723 1.00 0.00 C ATOM 721 O PHE A 45 -2.568 2.923 20.894 1.00 0.00 O ATOM 722 CB PHE A 45 -1.225 5.193 19.493 1.00 0.00 C ATOM 723 CG PHE A 45 -1.140 6.377 18.582 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.084 7.376 18.709 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.151 6.513 17.615 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.084 8.454 17.851 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.131 7.613 16.784 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.112 8.576 16.880 1.00 0.00 C ATOM 0 H PHE A 45 -3.880 5.223 19.675 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.930 4.072 17.877 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.532 5.507 20.491 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.246 4.725 19.594 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.829 7.312 19.488 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.608 5.751 17.514 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.851 9.209 17.939 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.658 7.720 16.054 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.120 9.417 16.202 1.00 0.00 H new ATOM 738 N ILE A 46 -1.749 1.833 19.080 1.00 0.00 N ATOM 739 CA ILE A 46 -1.622 0.540 19.682 1.00 0.00 C ATOM 740 C ILE A 46 -0.261 0.511 20.269 1.00 0.00 C ATOM 741 O ILE A 46 0.662 1.150 19.781 1.00 0.00 O ATOM 742 CB ILE A 46 -1.700 -0.588 18.671 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.973 -0.440 17.812 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.602 -1.977 19.346 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.047 -1.503 16.721 1.00 0.00 C ATOM 0 H ILE A 46 -1.463 1.849 18.101 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.430 0.395 20.399 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.838 -0.518 18.008 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.853 -0.513 18.451 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.991 0.550 17.357 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.662 -2.756 18.586 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.652 -2.058 19.875 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.422 -2.096 20.054 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.958 -1.364 16.139 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.180 -1.413 16.066 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.056 -2.493 17.177 1.00 0.00 H new ATOM 757 N HIS A 47 -0.140 -0.250 21.359 1.00 0.00 N ATOM 758 CA HIS A 47 1.062 -0.391 22.138 1.00 0.00 C ATOM 759 C HIS A 47 1.120 -1.808 22.595 1.00 0.00 C ATOM 760 O HIS A 47 0.114 -2.365 23.029 1.00 0.00 O ATOM 761 CB HIS A 47 1.094 0.422 23.436 1.00 0.00 C ATOM 762 CG HIS A 47 0.277 1.665 23.399 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.475 2.710 22.530 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.771 2.026 24.179 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.450 3.645 22.824 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.234 3.275 23.817 1.00 0.00 N ATOM 0 H HIS A 47 -0.916 -0.801 21.726 1.00 0.00 H new ATOM 0 HA HIS A 47 1.875 -0.053 21.495 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.741 -0.207 24.254 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.127 0.687 23.660 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.186 2.767 21.801 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.186 1.421 24.972 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.539 4.588 22.306 1.00 0.00 H new ATOM 774 N GLY A 48 2.314 -2.421 22.552 1.00 0.00 N ATOM 775 CA GLY A 48 2.441 -3.756 23.051 1.00 0.00 C ATOM 776 C GLY A 48 3.658 -4.330 22.425 1.00 0.00 C ATOM 777 O GLY A 48 4.667 -3.643 22.283 1.00 0.00 O ATOM 0 H GLY A 48 3.171 -2.008 22.183 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.527 -3.757 24.138 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.561 -4.348 22.801 1.00 0.00 H new ATOM 781 N ASN A 49 3.570 -5.620 22.043 1.00 0.00 N ATOM 782 CA ASN A 49 4.629 -6.280 21.339 1.00 0.00 C ATOM 783 C ASN A 49 4.295 -6.237 19.890 1.00 0.00 C ATOM 784 O ASN A 49 3.137 -6.324 19.489 1.00 0.00 O ATOM 785 CB ASN A 49 4.813 -7.758 21.715 1.00 0.00 C ATOM 786 CG ASN A 49 5.703 -7.847 22.952 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.328 -7.434 24.056 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.929 -8.415 22.732 1.00 0.00 N ATOM 0 H ASN A 49 2.758 -6.210 22.224 1.00 0.00 H new ATOM 0 HA ASN A 49 5.553 -5.763 21.599 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.846 -8.220 21.913 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.264 -8.304 20.886 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.590 -8.516 23.502 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.182 -8.737 21.798 1.00 0.00 H new ATOM 795 N LYS A 50 5.357 -6.136 19.070 1.00 0.00 N ATOM 796 CA LYS A 50 5.263 -6.050 17.644 1.00 0.00 C ATOM 797 C LYS A 50 5.148 -7.451 17.128 1.00 0.00 C ATOM 798 O LYS A 50 4.608 -7.690 16.048 1.00 0.00 O ATOM 799 CB LYS A 50 6.607 -5.506 17.095 1.00 0.00 C ATOM 800 CG LYS A 50 6.623 -4.635 15.827 1.00 0.00 C ATOM 801 CD LYS A 50 6.019 -5.217 14.553 1.00 0.00 C ATOM 802 CE LYS A 50 6.510 -4.503 13.291 1.00 0.00 C ATOM 803 NZ LYS A 50 7.935 -4.798 13.030 1.00 0.00 N ATOM 0 H LYS A 50 6.318 -6.113 19.412 1.00 0.00 H new ATOM 0 HA LYS A 50 4.424 -5.418 17.353 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.072 -4.927 17.892 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.252 -6.364 16.907 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.098 -3.707 16.052 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.659 -4.371 15.616 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.269 -6.276 14.488 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.932 -5.148 14.606 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.909 -4.814 12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.373 -3.427 13.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.153 -4.601 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.530 -4.201 13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.125 -5.800 13.234 1.00 0.00 H new ATOM 817 N ARG A 51 5.675 -8.410 17.924 1.00 0.00 N ATOM 818 CA ARG A 51 5.618 -9.818 17.663 1.00 0.00 C ATOM 819 C ARG A 51 4.213 -10.283 17.851 1.00 0.00 C ATOM 820 O ARG A 51 3.754 -11.183 17.149 1.00 0.00 O ATOM 821 CB ARG A 51 6.478 -10.636 18.644 1.00 0.00 C ATOM 822 CG ARG A 51 7.948 -10.195 18.681 1.00 0.00 C ATOM 823 CD ARG A 51 8.791 -10.979 19.696 1.00 0.00 C ATOM 824 NE ARG A 51 8.781 -12.429 19.330 1.00 0.00 N ATOM 825 CZ ARG A 51 9.711 -12.980 18.493 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.699 -12.219 17.940 1.00 0.00 N ATOM 827 NH2 ARG A 51 9.648 -14.314 18.205 1.00 0.00 N ATOM 0 H ARG A 51 6.164 -8.188 18.791 1.00 0.00 H new ATOM 0 HA ARG A 51 5.987 -9.968 16.648 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.055 -10.550 19.645 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.429 -11.689 18.367 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.382 -10.316 17.688 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.996 -9.133 18.922 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.813 -10.601 19.706 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.391 -10.843 20.701 1.00 0.00 H new ATOM 0 HE ARG A 51 8.054 -13.029 19.719 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.752 -11.222 18.149 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.384 -12.647 17.318 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.912 -14.890 18.613 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.337 -14.734 17.582 1.00 0.00 H new ATOM 841 N SER A 52 3.517 -9.654 18.821 1.00 0.00 N ATOM 842 CA SER A 52 2.140 -9.905 19.109 1.00 0.00 C ATOM 843 C SER A 52 1.274 -9.390 18.007 1.00 0.00 C ATOM 844 O SER A 52 0.331 -10.090 17.650 1.00 0.00 O ATOM 845 CB SER A 52 1.676 -9.358 20.465 1.00 0.00 C ATOM 846 OG SER A 52 0.329 -9.726 20.710 1.00 0.00 O ATOM 0 H SER A 52 3.932 -8.945 19.425 1.00 0.00 H new ATOM 0 HA SER A 52 2.040 -10.988 19.178 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.316 -9.744 21.259 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.772 -8.272 20.479 1.00 0.00 H new ATOM 0 HG SER A 52 -0.268 -9.024 20.376 1.00 0.00 H new ATOM 852 N ILE A 53 1.570 -8.182 17.450 1.00 0.00 N ATOM 853 CA ILE A 53 0.836 -7.602 16.336 1.00 0.00 C ATOM 854 C ILE A 53 0.839 -8.504 15.131 1.00 0.00 C ATOM 855 O ILE A 53 -0.229 -8.775 14.581 1.00 0.00 O ATOM 856 CB ILE A 53 1.308 -6.209 15.936 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.994 -5.229 17.083 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.639 -5.736 14.624 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.639 -3.856 16.917 1.00 0.00 C ATOM 0 H ILE A 53 2.336 -7.594 17.780 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.183 -7.497 16.707 1.00 0.00 H new ATOM 0 HB ILE A 53 2.383 -6.241 15.756 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.086 -5.105 17.157 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.330 -5.666 18.023 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.000 -4.739 14.370 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.888 -6.428 13.819 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.443 -5.708 14.757 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.371 -3.224 17.763 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.723 -3.966 16.874 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.284 -3.397 15.994 1.00 0.00 H new ATOM 871 N LYS A 54 2.028 -8.988 14.702 1.00 0.00 N ATOM 872 CA LYS A 54 2.166 -9.850 13.549 1.00 0.00 C ATOM 873 C LYS A 54 1.461 -11.164 13.764 1.00 0.00 C ATOM 874 O LYS A 54 0.830 -11.697 12.849 1.00 0.00 O ATOM 875 CB LYS A 54 3.637 -10.143 13.208 1.00 0.00 C ATOM 876 CG LYS A 54 3.846 -10.505 11.731 1.00 0.00 C ATOM 877 CD LYS A 54 5.327 -10.609 11.351 1.00 0.00 C ATOM 878 CE LYS A 54 5.541 -10.820 9.850 1.00 0.00 C ATOM 879 NZ LYS A 54 6.984 -10.920 9.546 1.00 0.00 N ATOM 0 H LYS A 54 2.913 -8.778 15.163 1.00 0.00 H new ATOM 0 HA LYS A 54 1.711 -9.310 12.718 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.242 -9.270 13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.993 -10.963 13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.354 -11.455 11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.367 -9.752 11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.842 -9.700 11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.780 -11.436 11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.031 -11.728 9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.102 -9.992 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.114 -11.063 8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.462 -10.043 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.393 -11.724 10.063 1.00 0.00 H new ATOM 893 N ALA A 55 1.525 -11.690 15.013 1.00 0.00 N ATOM 894 CA ALA A 55 0.920 -12.937 15.398 1.00 0.00 C ATOM 895 C ALA A 55 -0.574 -12.875 15.593 1.00 0.00 C ATOM 896 O ALA A 55 -1.165 -13.881 15.979 1.00 0.00 O ATOM 897 CB ALA A 55 1.499 -13.482 16.712 1.00 0.00 C ATOM 0 H ALA A 55 2.016 -11.229 15.779 1.00 0.00 H new ATOM 0 HA ALA A 55 1.147 -13.588 14.554 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.011 -14.424 16.961 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.570 -13.647 16.597 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.327 -12.762 17.512 1.00 0.00 H new ATOM 903 N ILE A 56 -1.238 -11.726 15.307 1.00 0.00 N ATOM 904 CA ILE A 56 -2.677 -11.671 15.305 1.00 0.00 C ATOM 905 C ILE A 56 -3.156 -12.301 14.030 1.00 0.00 C ATOM 906 O ILE A 56 -4.253 -12.858 13.992 1.00 0.00 O ATOM 907 CB ILE A 56 -3.267 -10.275 15.463 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.735 -9.553 16.719 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.805 -10.348 15.532 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.773 -10.389 17.999 1.00 0.00 C ATOM 0 H ILE A 56 -0.780 -10.843 15.079 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.023 -12.213 16.185 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.959 -9.701 14.589 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.707 -9.242 16.535 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.319 -8.646 16.876 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.212 -9.343 15.645 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.190 -10.795 14.615 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.102 -10.958 16.385 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.381 -9.801 18.829 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.802 -10.679 18.214 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.164 -11.283 17.868 1.00 0.00 H new ATOM 922 N CYS A 57 -2.323 -12.268 12.962 1.00 0.00 N ATOM 923 CA CYS A 57 -2.709 -12.889 11.722 1.00 0.00 C ATOM 924 C CYS A 57 -2.426 -14.371 11.744 1.00 0.00 C ATOM 925 O CYS A 57 -2.963 -15.120 10.928 1.00 0.00 O ATOM 926 CB CYS A 57 -2.136 -12.230 10.453 1.00 0.00 C ATOM 927 SG CYS A 57 -3.073 -12.762 8.985 1.00 0.00 S ATOM 0 H CYS A 57 -1.405 -11.823 12.955 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.785 -12.729 11.654 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.180 -11.145 10.547 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.086 -12.498 10.339 1.00 0.00 H new ATOM 932 N GLU A 58 -1.607 -14.839 12.715 1.00 0.00 N ATOM 933 CA GLU A 58 -1.517 -16.245 13.003 1.00 0.00 C ATOM 934 C GLU A 58 -2.755 -16.650 13.736 1.00 0.00 C ATOM 935 O GLU A 58 -3.391 -15.846 14.416 1.00 0.00 O ATOM 936 CB GLU A 58 -0.337 -16.641 13.908 1.00 0.00 C ATOM 937 CG GLU A 58 1.023 -16.412 13.249 1.00 0.00 C ATOM 938 CD GLU A 58 2.093 -16.958 14.182 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.193 -16.457 15.333 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.826 -17.891 13.755 1.00 0.00 O ATOM 0 H GLU A 58 -1.012 -14.248 13.296 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.381 -16.738 12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.387 -16.067 14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.431 -17.693 14.179 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.068 -16.914 12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.184 -15.350 13.065 1.00 0.00 H new ATOM 947 N ASN A 59 -3.100 -17.950 13.617 1.00 0.00 N ATOM 948 CA ASN A 59 -4.309 -18.506 14.158 1.00 0.00 C ATOM 949 C ASN A 59 -4.158 -18.860 15.611 1.00 0.00 C ATOM 950 O ASN A 59 -5.137 -19.232 16.257 1.00 0.00 O ATOM 951 CB ASN A 59 -4.802 -19.759 13.395 1.00 0.00 C ATOM 952 CG ASN A 59 -3.778 -20.901 13.450 1.00 0.00 C ATOM 953 OD1 ASN A 59 -3.882 -21.815 14.277 1.00 0.00 O ATOM 954 ND2 ASN A 59 -2.787 -20.857 12.507 1.00 0.00 N ATOM 0 H ASN A 59 -2.521 -18.634 13.130 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.054 -17.719 14.042 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.746 -20.097 13.823 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.999 -19.497 12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.090 -21.601 12.464 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.745 -20.080 11.847 1.00 0.00 H new ATOM 961 N LYS A 60 -2.921 -18.765 16.146 1.00 0.00 N ATOM 962 CA LYS A 60 -2.626 -19.140 17.497 1.00 0.00 C ATOM 963 C LYS A 60 -3.027 -18.040 18.426 1.00 0.00 C ATOM 964 O LYS A 60 -3.570 -18.295 19.500 1.00 0.00 O ATOM 965 CB LYS A 60 -1.125 -19.446 17.687 1.00 0.00 C ATOM 966 CG LYS A 60 -0.767 -20.064 19.049 1.00 0.00 C ATOM 967 CD LYS A 60 0.716 -20.445 19.182 1.00 0.00 C ATOM 968 CE LYS A 60 1.139 -21.622 18.296 1.00 0.00 C ATOM 969 NZ LYS A 60 2.559 -21.957 18.539 1.00 0.00 N ATOM 0 H LYS A 60 -2.112 -18.421 15.628 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.190 -20.045 17.721 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.803 -20.126 16.898 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.560 -18.522 17.562 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.024 -19.357 19.838 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.377 -20.953 19.207 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.327 -19.578 18.932 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.925 -20.693 20.223 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.512 -22.489 18.506 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.992 -21.368 17.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.836 -22.756 17.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.153 -21.133 18.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.688 -22.218 19.537 1.00 0.00 H new ATOM 983 N ASN A 61 -2.735 -16.789 18.022 1.00 0.00 N ATOM 984 CA ASN A 61 -2.863 -15.646 18.882 1.00 0.00 C ATOM 985 C ASN A 61 -3.786 -14.662 18.219 1.00 0.00 C ATOM 986 O ASN A 61 -3.685 -13.452 18.404 1.00 0.00 O ATOM 987 CB ASN A 61 -1.473 -15.047 19.192 1.00 0.00 C ATOM 988 CG ASN A 61 -1.545 -13.998 20.300 1.00 0.00 C ATOM 989 OD1 ASN A 61 -2.118 -14.230 21.370 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.927 -12.812 20.007 1.00 0.00 N ATOM 0 H ASN A 61 -2.404 -16.565 17.083 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.292 -15.928 19.843 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.791 -15.844 19.489 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.062 -14.595 18.289 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.922 -12.056 20.692 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.471 -12.684 19.104 1.00 0.00 H new ATOM 997 N GLY A 62 -4.757 -15.170 17.443 1.00 0.00 N ATOM 998 CA GLY A 62 -5.782 -14.316 16.926 1.00 0.00 C ATOM 999 C GLY A 62 -6.719 -15.210 16.192 1.00 0.00 C ATOM 1000 O GLY A 62 -6.292 -16.110 15.475 1.00 0.00 O ATOM 0 H GLY A 62 -4.835 -16.151 17.176 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.294 -13.788 17.730 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.363 -13.559 16.263 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.034 -14.980 16.379 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.051 -15.814 15.811 1.00 0.00 C ATOM 1006 C ASN A 63 -9.388 -15.247 14.464 1.00 0.00 C ATOM 1007 O ASN A 63 -9.211 -14.044 14.275 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.349 -15.797 16.638 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.027 -16.247 18.060 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.617 -17.391 18.292 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.230 -15.304 19.030 1.00 0.00 N ATOM 0 H ASN A 63 -8.396 -14.204 16.933 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.674 -16.836 15.773 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.779 -14.795 16.647 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.091 -16.459 16.191 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.041 -15.528 20.007 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.570 -14.376 18.776 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.877 -16.030 13.517 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.420 -15.510 12.297 1.00 0.00 C ATOM 1020 C PRO A 64 -11.760 -14.931 12.627 1.00 0.00 C ATOM 1021 O PRO A 64 -12.519 -15.527 13.392 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.537 -16.722 11.368 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.595 -17.934 12.302 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.786 -17.480 13.517 1.00 0.00 C ATOM 0 HA PRO A 64 -9.819 -14.732 11.825 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.431 -16.659 10.748 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.684 -16.785 10.692 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.621 -18.185 12.572 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.162 -18.820 11.838 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.190 -17.900 14.438 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.749 -17.809 13.445 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.051 -13.757 12.038 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.276 -13.060 12.257 1.00 0.00 C ATOM 1034 C HIS A 65 -13.766 -12.733 10.890 1.00 0.00 C ATOM 1035 O HIS A 65 -13.246 -11.822 10.251 1.00 0.00 O ATOM 1036 CB HIS A 65 -13.067 -11.761 13.061 1.00 0.00 C ATOM 1037 CG HIS A 65 -14.295 -10.913 13.187 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.416 -11.328 13.852 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.531 -9.655 12.747 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -16.307 -10.347 13.817 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.795 -9.319 13.153 1.00 0.00 N ATOM 0 H HIS A 65 -11.418 -13.283 11.394 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.976 -13.663 12.836 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.712 -12.018 14.059 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.281 -11.175 12.585 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.851 -9.034 12.183 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -17.292 -10.380 14.258 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.263 -8.430 12.975 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.796 -13.489 10.444 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.445 -13.430 9.153 1.00 0.00 C ATOM 1052 C ARG A 66 -14.525 -13.371 7.963 1.00 0.00 C ATOM 1053 O ARG A 66 -13.891 -14.365 7.613 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.674 -12.478 9.025 1.00 0.00 C ATOM 1055 CG ARG A 66 -16.681 -11.120 9.762 1.00 0.00 C ATOM 1056 CD ARG A 66 -15.915 -9.980 9.082 1.00 0.00 C ATOM 1057 NE ARG A 66 -16.117 -8.741 9.887 1.00 0.00 N ATOM 1058 CZ ARG A 66 -17.109 -7.840 9.618 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -17.989 -8.045 8.597 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -17.220 -6.719 10.391 1.00 0.00 N ATOM 0 H ARG A 66 -15.213 -14.206 11.039 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.890 -14.425 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.815 -12.271 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.550 -13.033 9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.717 -10.807 9.894 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.263 -11.268 10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.854 -10.221 9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.274 -9.835 8.063 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.489 -8.559 10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.913 -8.882 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.723 -7.361 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.567 -6.562 11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.956 -6.039 10.200 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.483 -12.202 7.297 1.00 0.00 N ATOM 1075 CA GLU A 67 -13.914 -12.024 5.996 1.00 0.00 C ATOM 1076 C GLU A 67 -12.631 -11.281 6.132 1.00 0.00 C ATOM 1077 O GLU A 67 -12.560 -10.088 5.846 1.00 0.00 O ATOM 1078 CB GLU A 67 -14.826 -11.215 5.056 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.146 -11.929 4.745 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.974 -11.023 3.847 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.511 -10.723 2.714 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.085 -10.618 4.283 1.00 0.00 O ATOM 0 H GLU A 67 -14.864 -11.339 7.685 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.773 -13.016 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.040 -10.247 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.296 -11.019 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.956 -12.882 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.686 -12.148 5.666 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.591 -12.024 6.562 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.180 -11.691 6.593 1.00 0.00 C ATOM 1091 C ASN A 68 -9.788 -10.761 7.704 1.00 0.00 C ATOM 1092 O ASN A 68 -8.667 -10.255 7.715 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.481 -11.317 5.240 1.00 0.00 C ATOM 1094 CG ASN A 68 -9.853 -9.959 4.609 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -10.640 -9.918 3.655 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -9.245 -8.846 5.123 1.00 0.00 N ATOM 0 H ASN A 68 -11.750 -12.962 6.929 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.764 -12.673 6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.403 -11.331 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.706 -12.100 4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.433 -7.929 4.718 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.603 -8.933 5.911 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.687 -10.534 8.682 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.397 -9.658 9.778 1.00 0.00 C ATOM 1105 C LEU A 69 -9.930 -10.593 10.837 1.00 0.00 C ATOM 1106 O LEU A 69 -10.272 -11.770 10.801 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.609 -8.838 10.263 1.00 0.00 C ATOM 1108 CG LEU A 69 -11.873 -7.537 9.462 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -12.206 -7.753 7.976 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -12.999 -6.718 10.112 1.00 0.00 C ATOM 0 H LEU A 69 -11.615 -10.957 8.714 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.670 -8.896 9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.499 -9.466 10.213 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.459 -8.579 11.311 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.928 -6.995 9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.375 -6.789 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.374 -8.260 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.105 -8.363 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.168 -5.809 9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.914 -7.310 10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.715 -6.453 11.130 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.100 -10.111 11.781 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.440 -10.990 12.704 1.00 0.00 C ATOM 1124 C ARG A 70 -8.563 -10.318 14.024 1.00 0.00 C ATOM 1125 O ARG A 70 -7.972 -9.260 14.241 1.00 0.00 O ATOM 1126 CB ARG A 70 -6.925 -11.146 12.466 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.467 -11.768 11.138 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.503 -13.300 11.090 1.00 0.00 C ATOM 1129 NE ARG A 70 -7.829 -13.761 10.596 1.00 0.00 N ATOM 1130 CZ ARG A 70 -8.084 -13.962 9.268 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -7.146 -13.677 8.319 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -9.306 -14.439 8.887 1.00 0.00 N ATOM 0 H ARG A 70 -8.886 -9.122 11.907 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.891 -11.978 12.611 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.470 -10.159 12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.520 -11.752 13.277 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.096 -11.380 10.337 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.449 -11.437 10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.713 -13.671 10.437 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.313 -13.708 12.083 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.573 -13.933 11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.236 -13.307 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.354 -13.834 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.016 -14.641 9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.508 -14.593 7.899 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.342 -10.929 14.934 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.590 -10.348 16.217 1.00 0.00 C ATOM 1148 C ILE A 71 -8.591 -10.977 17.140 1.00 0.00 C ATOM 1149 O ILE A 71 -8.395 -12.188 17.113 1.00 0.00 O ATOM 1150 CB ILE A 71 -11.042 -10.532 16.644 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.392 -9.705 17.890 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.422 -12.013 16.835 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.906 -9.547 18.074 1.00 0.00 C ATOM 0 H ILE A 71 -9.801 -11.827 14.781 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.462 -9.266 16.218 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.644 -10.152 15.819 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.969 -10.184 18.773 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.933 -8.720 17.811 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.466 -12.084 17.139 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.280 -12.549 15.897 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.789 -12.455 17.605 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -13.104 -8.955 18.968 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.328 -9.043 17.204 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.364 -10.530 18.181 1.00 0.00 H new ATOM 1165 N SER A 72 -7.897 -10.151 17.949 1.00 0.00 N ATOM 1166 CA SER A 72 -6.760 -10.618 18.695 1.00 0.00 C ATOM 1167 C SER A 72 -7.152 -11.300 19.962 1.00 0.00 C ATOM 1168 O SER A 72 -8.230 -11.074 20.510 1.00 0.00 O ATOM 1169 CB SER A 72 -5.789 -9.494 19.085 1.00 0.00 C ATOM 1170 OG SER A 72 -6.390 -8.560 19.958 1.00 0.00 O ATOM 0 H SER A 72 -8.120 -9.165 18.088 1.00 0.00 H new ATOM 0 HA SER A 72 -6.270 -11.315 18.015 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.909 -9.924 19.563 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.446 -8.982 18.186 1.00 0.00 H new ATOM 0 HG SER A 72 -5.705 -7.955 20.311 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.229 -12.160 20.446 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.397 -12.891 21.667 1.00 0.00 C ATOM 1178 C LYS A 73 -5.464 -12.328 22.690 1.00 0.00 C ATOM 1179 O LYS A 73 -5.630 -12.596 23.879 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.072 -14.390 21.532 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.046 -15.132 20.605 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.667 -16.599 20.355 1.00 0.00 C ATOM 1183 CE LYS A 73 -6.840 -17.517 21.570 1.00 0.00 C ATOM 1184 NZ LYS A 73 -8.260 -17.564 21.984 1.00 0.00 N ATOM 0 H LYS A 73 -5.345 -12.350 19.975 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.446 -12.796 21.948 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.057 -14.504 21.150 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.095 -14.852 22.519 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.046 -15.093 21.038 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.092 -14.610 19.649 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.275 -16.983 19.536 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.628 -16.642 20.028 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.492 -18.521 21.327 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.226 -17.158 22.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.400 -18.346 22.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.519 -16.666 22.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.861 -17.713 21.148 1.00 0.00 H new ATOM 1198 N SER A 74 -4.456 -11.538 22.251 1.00 0.00 N ATOM 1199 CA SER A 74 -3.539 -10.906 23.147 1.00 0.00 C ATOM 1200 C SER A 74 -3.831 -9.460 23.015 1.00 0.00 C ATOM 1201 O SER A 74 -3.267 -8.773 22.167 1.00 0.00 O ATOM 1202 CB SER A 74 -2.059 -11.142 22.817 1.00 0.00 C ATOM 1203 OG SER A 74 -1.231 -10.396 23.698 1.00 0.00 O ATOM 0 H SER A 74 -4.281 -11.340 21.266 1.00 0.00 H new ATOM 0 HA SER A 74 -3.674 -11.315 24.148 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.826 -12.204 22.900 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.859 -10.851 21.786 1.00 0.00 H new ATOM 0 HG SER A 74 -0.290 -10.557 23.477 1.00 0.00 H new ATOM 1209 N SER A 75 -4.756 -9.014 23.881 1.00 0.00 N ATOM 1210 CA SER A 75 -5.182 -7.653 24.082 1.00 0.00 C ATOM 1211 C SER A 75 -4.031 -6.720 24.294 1.00 0.00 C ATOM 1212 O SER A 75 -3.113 -6.998 25.065 1.00 0.00 O ATOM 1213 CB SER A 75 -6.089 -7.512 25.312 1.00 0.00 C ATOM 1214 OG SER A 75 -7.284 -8.254 25.120 1.00 0.00 O ATOM 0 H SER A 75 -5.252 -9.658 24.497 1.00 0.00 H new ATOM 0 HA SER A 75 -5.720 -7.392 23.170 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.569 -7.868 26.201 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.326 -6.462 25.481 1.00 0.00 H new ATOM 0 HG SER A 75 -7.857 -8.161 25.909 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.079 -5.579 23.575 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.997 -4.638 23.520 1.00 0.00 C ATOM 1222 C PHE A 76 -3.443 -3.442 24.275 1.00 0.00 C ATOM 1223 O PHE A 76 -4.635 -3.254 24.505 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.678 -4.158 22.083 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.219 -5.268 21.185 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.158 -6.086 20.590 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.877 -5.453 20.869 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.773 -7.100 19.753 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.479 -6.471 20.015 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.442 -7.308 19.483 1.00 0.00 C ATOM 0 H PHE A 76 -4.889 -5.304 23.019 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.106 -5.122 23.920 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.567 -3.695 21.654 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.907 -3.389 22.125 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.208 -5.925 20.786 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.134 -4.795 21.295 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.519 -7.739 19.303 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.564 -6.607 19.770 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.146 -8.132 18.850 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.466 -2.607 24.682 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.714 -1.357 25.334 1.00 0.00 C ATOM 1242 C GLN A 77 -2.998 -0.436 24.217 1.00 0.00 C ATOM 1243 O GLN A 77 -2.235 -0.376 23.262 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.477 -0.935 26.170 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.689 -0.256 27.544 1.00 0.00 C ATOM 1246 CD GLN A 77 -2.708 0.889 27.577 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -2.677 1.849 26.801 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -3.633 0.779 28.580 1.00 0.00 N ATOM 0 H GLN A 77 -1.474 -2.809 24.553 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.538 -1.381 26.047 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.873 -1.827 26.335 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.883 -0.257 25.557 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.004 -1.017 28.258 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.729 0.128 27.889 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.621 -0.032 29.198 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.334 1.508 28.709 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.143 0.267 24.278 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.623 0.973 23.128 1.00 0.00 C ATOM 1259 C VAL A 78 -5.180 2.288 23.581 1.00 0.00 C ATOM 1260 O VAL A 78 -6.245 2.344 24.194 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.702 0.216 22.379 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -4.976 -0.644 21.334 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -6.614 -0.623 23.295 1.00 0.00 C ATOM 0 H VAL A 78 -4.729 0.347 25.109 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.785 1.101 22.443 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.389 0.918 21.906 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.707 -1.215 20.761 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.411 0.001 20.661 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.294 -1.329 21.837 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.362 -1.137 22.691 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.014 -1.358 23.832 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.112 0.031 24.010 1.00 0.00 H new ATOM 1273 N THR A 79 -4.470 3.392 23.272 1.00 0.00 N ATOM 1274 CA THR A 79 -4.924 4.706 23.629 1.00 0.00 C ATOM 1275 C THR A 79 -5.648 5.223 22.435 1.00 0.00 C ATOM 1276 O THR A 79 -5.033 5.543 21.420 1.00 0.00 O ATOM 1277 CB THR A 79 -3.802 5.633 24.028 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.188 5.122 25.200 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.329 7.040 24.346 1.00 0.00 C ATOM 0 H THR A 79 -3.580 3.375 22.774 1.00 0.00 H new ATOM 0 HA THR A 79 -5.566 4.655 24.509 1.00 0.00 H new ATOM 0 HB THR A 79 -3.097 5.696 23.199 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.495 4.475 24.951 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.497 7.685 24.630 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.822 7.451 23.465 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.042 6.984 25.169 1.00 0.00 H new ATOM 1287 N THR A 80 -6.989 5.304 22.550 1.00 0.00 N ATOM 1288 CA THR A 80 -7.836 5.712 21.470 1.00 0.00 C ATOM 1289 C THR A 80 -8.010 7.187 21.591 1.00 0.00 C ATOM 1290 O THR A 80 -8.771 7.668 22.427 1.00 0.00 O ATOM 1291 CB THR A 80 -9.180 5.028 21.510 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.986 3.621 21.505 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.028 5.427 20.289 1.00 0.00 C ATOM 0 H THR A 80 -7.493 5.082 23.409 1.00 0.00 H new ATOM 0 HA THR A 80 -7.378 5.435 20.521 1.00 0.00 H new ATOM 0 HB THR A 80 -9.704 5.334 22.415 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.665 3.338 20.623 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.993 4.923 20.336 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.181 6.506 20.289 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.511 5.134 19.375 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.287 7.936 20.738 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.288 9.363 20.802 1.00 0.00 C ATOM 1303 C CYS A 81 -8.323 9.863 19.874 1.00 0.00 C ATOM 1304 O CYS A 81 -8.241 9.646 18.667 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.954 9.959 20.375 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.630 9.060 21.194 1.00 0.00 S ATOM 0 H CYS A 81 -6.699 7.549 20.000 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.479 9.654 21.835 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.841 9.895 19.293 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.911 11.016 20.638 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.324 10.551 20.445 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.411 11.056 19.667 1.00 0.00 C ATOM 1313 C LYS A 82 -10.227 12.535 19.651 1.00 0.00 C ATOM 1314 O LYS A 82 -9.773 13.118 20.632 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.786 10.712 20.273 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.977 11.097 19.382 1.00 0.00 C ATOM 1317 CD LYS A 82 -14.317 10.616 19.944 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.498 10.977 19.042 1.00 0.00 C ATOM 1319 NZ LYS A 82 -16.763 10.507 19.646 1.00 0.00 N ATOM 0 H LYS A 82 -9.382 10.758 21.442 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.403 10.610 18.672 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.826 9.641 20.472 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.885 11.219 21.233 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.004 12.181 19.267 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.833 10.675 18.388 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.284 9.535 20.077 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.471 11.054 20.930 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.536 12.056 18.894 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.366 10.525 18.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.558 10.758 19.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.728 9.474 19.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.893 10.958 20.574 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.577 13.160 18.514 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.438 14.568 18.294 1.00 0.00 C ATOM 1335 C LEU A 83 -11.578 15.239 18.986 1.00 0.00 C ATOM 1336 O LEU A 83 -12.742 14.916 18.755 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.557 14.864 16.779 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.478 16.332 16.298 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -9.069 16.928 16.440 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.956 16.412 14.836 1.00 0.00 C ATOM 0 H LEU A 83 -10.973 12.666 17.714 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.475 14.920 18.665 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.769 14.308 16.271 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.508 14.455 16.437 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.129 16.928 16.937 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.073 17.959 16.087 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.767 16.904 17.487 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.366 16.344 15.846 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.902 17.445 14.492 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.319 15.787 14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.986 16.061 14.770 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.238 16.219 19.844 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.202 17.081 20.457 1.00 0.00 C ATOM 1354 C HIS A 84 -11.628 18.445 20.327 1.00 0.00 C ATOM 1355 O HIS A 84 -11.493 19.188 21.300 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.446 16.760 21.940 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.066 15.409 22.116 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -12.489 14.202 22.314 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -14.415 15.202 22.019 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -13.496 13.277 22.352 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -14.649 13.906 22.169 1.00 0.00 N flip ATOM 0 H HIS A 84 -10.275 16.416 20.117 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.172 16.966 19.974 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.501 16.801 22.482 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.096 17.519 22.375 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -15.161 15.964 21.849 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.373 12.215 22.505 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -15.568 13.464 22.147 1.00 0.00 H new ATOM 1370 N GLY A 85 -11.268 18.778 19.075 1.00 0.00 N ATOM 1371 CA GLY A 85 -10.703 20.047 18.729 1.00 0.00 C ATOM 1372 C GLY A 85 -11.837 20.922 18.350 1.00 0.00 C ATOM 1373 O GLY A 85 -12.189 21.859 19.066 1.00 0.00 O ATOM 0 H GLY A 85 -11.372 18.148 18.280 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.152 20.468 19.569 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.998 19.946 17.904 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.423 20.603 17.184 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.532 21.327 16.636 1.00 0.00 C ATOM 1379 C GLY A 86 -13.119 21.796 15.284 1.00 0.00 C ATOM 1380 O GLY A 86 -13.945 21.902 14.379 1.00 0.00 O ATOM 0 H GLY A 86 -12.119 19.821 16.604 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.414 20.690 16.571 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.795 22.171 17.274 1.00 0.00 H new ATOM 1384 N SER A 87 -11.812 22.089 15.136 1.00 0.00 N ATOM 1385 CA SER A 87 -11.252 22.528 13.894 1.00 0.00 C ATOM 1386 C SER A 87 -10.876 21.285 13.131 1.00 0.00 C ATOM 1387 O SER A 87 -10.275 20.398 13.739 1.00 0.00 O ATOM 1388 CB SER A 87 -9.980 23.369 14.095 1.00 0.00 C ATOM 1389 OG SER A 87 -9.534 23.893 12.853 1.00 0.00 O ATOM 0 H SER A 87 -11.132 22.019 15.893 1.00 0.00 H new ATOM 0 HA SER A 87 -11.980 23.149 13.372 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.181 24.184 14.790 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.197 22.756 14.541 1.00 0.00 H new ATOM 0 HG SER A 87 -8.739 23.402 12.557 1.00 0.00 H new ATOM 1395 N PRO A 88 -11.160 21.155 11.835 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.710 20.027 11.061 1.00 0.00 C ATOM 1397 C PRO A 88 -9.269 20.221 10.706 1.00 0.00 C ATOM 1398 O PRO A 88 -8.613 19.232 10.398 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.524 20.070 9.768 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.767 20.883 10.124 1.00 0.00 C ATOM 1401 CD PRO A 88 -12.245 21.861 11.175 1.00 0.00 C ATOM 0 HA PRO A 88 -10.827 19.090 11.605 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.961 20.539 8.960 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.789 19.067 9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.173 21.402 9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.563 20.252 10.519 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.894 22.785 10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.027 22.135 11.883 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.779 21.473 10.704 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.450 21.805 10.292 1.00 0.00 C ATOM 1411 C TRP A 89 -6.597 21.860 11.525 1.00 0.00 C ATOM 1412 O TRP A 89 -7.166 21.862 12.616 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.470 23.169 9.580 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.381 23.120 8.380 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.604 23.698 8.200 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -8.129 22.323 7.211 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -10.125 23.321 6.986 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.230 22.472 6.369 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -7.074 21.522 6.870 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.291 21.823 5.169 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -7.138 20.864 5.661 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.229 21.011 4.823 1.00 0.00 C ATOM 0 H TRP A 89 -9.326 22.282 10.999 1.00 0.00 H new ATOM 0 HA TRP A 89 -7.050 21.065 9.599 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.808 23.942 10.270 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.461 23.439 9.268 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.090 24.354 8.907 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -11.023 23.619 6.605 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.222 21.409 7.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.141 21.941 4.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.322 20.222 5.362 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.250 20.482 3.882 1.00 0.00 H new ATOM 1433 N PRO A 90 -5.269 21.901 11.428 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.420 21.918 12.588 1.00 0.00 C ATOM 1435 C PRO A 90 -4.546 23.285 13.225 1.00 0.00 C ATOM 1436 O PRO A 90 -4.635 24.248 12.463 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.996 21.679 12.069 1.00 0.00 C ATOM 1438 CG PRO A 90 -3.083 21.809 10.545 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.544 21.489 10.240 1.00 0.00 C ATOM 0 HA PRO A 90 -4.681 21.164 13.330 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.300 22.408 12.485 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.634 20.692 12.358 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.814 22.812 10.212 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.408 21.115 10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.891 22.027 9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.683 20.427 10.040 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.547 23.464 14.537 1.00 0.00 N ATOM 1448 CA PRO A 91 -4.119 22.498 15.509 1.00 0.00 C ATOM 1449 C PRO A 91 -5.281 21.632 15.870 1.00 0.00 C ATOM 1450 O PRO A 91 -6.430 21.957 15.571 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.701 23.316 16.725 1.00 0.00 C ATOM 1452 CG PRO A 91 -4.522 24.596 16.603 1.00 0.00 C ATOM 1453 CD PRO A 91 -4.612 24.800 15.090 1.00 0.00 C ATOM 0 HA PRO A 91 -3.311 21.864 15.144 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.917 22.789 17.655 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.631 23.525 16.718 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.508 24.489 17.056 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.035 25.437 17.096 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.540 25.299 14.812 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.794 25.421 14.724 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.947 20.503 16.509 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.873 19.450 16.790 1.00 0.00 C ATOM 1463 C CYS A 92 -5.715 19.134 18.239 1.00 0.00 C ATOM 1464 O CYS A 92 -4.619 18.793 18.682 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.540 18.154 16.026 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.361 18.359 14.232 1.00 0.00 S ATOM 0 H CYS A 92 -4.002 20.313 16.843 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.872 19.776 16.502 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.614 17.740 16.425 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.325 17.423 16.218 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.818 19.232 19.009 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.797 18.857 20.394 1.00 0.00 C ATOM 1473 C GLN A 93 -7.274 17.447 20.453 1.00 0.00 C ATOM 1474 O GLN A 93 -8.409 17.161 20.084 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.734 19.692 21.283 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.440 21.193 21.237 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.471 21.887 22.123 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -8.424 21.790 23.355 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -9.430 22.599 21.457 1.00 0.00 N ATOM 0 H GLN A 93 -7.721 19.569 18.675 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.784 19.010 20.767 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.765 19.522 20.972 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.650 19.345 22.313 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.430 21.397 21.591 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.500 21.565 20.214 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.417 22.643 20.438 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.158 23.086 21.979 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.404 16.533 20.917 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.739 15.144 21.022 1.00 0.00 C ATOM 1490 C TYR A 94 -6.916 14.829 22.459 1.00 0.00 C ATOM 1491 O TYR A 94 -5.994 15.013 23.250 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.620 14.226 20.523 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.646 14.298 19.045 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.673 13.673 18.373 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.683 14.989 18.337 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.763 13.754 17.003 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.767 15.061 16.961 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.805 14.448 16.295 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.858 14.500 14.890 1.00 0.00 O ATOM 0 H TYR A 94 -5.457 16.758 21.223 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.632 14.978 20.419 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.653 14.547 20.910 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.776 13.203 20.864 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.414 13.115 18.926 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.868 15.471 18.857 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.581 13.276 16.484 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.015 15.601 16.404 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.682 14.071 14.578 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.113 14.317 22.808 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.372 13.842 24.135 1.00 0.00 C ATOM 1511 C ARG A 95 -8.156 12.368 24.078 1.00 0.00 C ATOM 1512 O ARG A 95 -8.811 11.668 23.307 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.808 14.127 24.622 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.112 13.708 26.073 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.229 14.397 27.121 1.00 0.00 C ATOM 1516 NE ARG A 95 -9.640 13.916 28.475 1.00 0.00 N ATOM 1517 CZ ARG A 95 -10.583 14.562 29.226 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -11.207 15.682 28.759 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -10.908 14.074 30.460 1.00 0.00 N ATOM 0 H ARG A 95 -8.903 14.232 22.169 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.716 14.354 24.838 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.001 15.195 24.523 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.506 13.614 23.960 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.157 13.928 26.292 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.988 12.629 26.162 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.178 14.169 26.941 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.336 15.480 27.055 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.202 13.076 28.852 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.972 16.050 27.837 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.908 16.152 29.332 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.449 13.235 30.814 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.610 14.549 31.028 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.219 11.876 24.911 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.906 10.480 24.964 1.00 0.00 C ATOM 1535 C ALA A 96 -7.908 9.786 25.822 1.00 0.00 C ATOM 1536 O ALA A 96 -8.173 10.208 26.947 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.541 10.216 25.611 1.00 0.00 C ATOM 0 H ALA A 96 -6.674 12.451 25.553 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.905 10.119 23.936 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.348 9.143 25.629 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.762 10.715 25.034 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.541 10.601 26.631 1.00 0.00 H new ATOM 1543 N THR A 97 -8.469 8.681 25.289 1.00 0.00 N ATOM 1544 CA THR A 97 -9.346 7.818 26.025 1.00 0.00 C ATOM 1545 C THR A 97 -8.627 6.510 26.042 1.00 0.00 C ATOM 1546 O THR A 97 -8.709 5.731 25.093 1.00 0.00 O ATOM 1547 CB THR A 97 -10.706 7.666 25.387 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.270 8.952 25.170 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.642 6.856 26.305 1.00 0.00 C ATOM 0 H THR A 97 -8.310 8.381 24.327 1.00 0.00 H new ATOM 0 HA THR A 97 -9.553 8.220 27.017 1.00 0.00 H new ATOM 0 HB THR A 97 -10.593 7.140 24.439 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.152 8.856 24.754 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.618 6.755 25.831 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.217 5.867 26.476 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.753 7.373 27.258 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.878 6.262 27.134 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.033 5.109 27.225 1.00 0.00 C ATOM 1559 C ALA A 98 -7.827 3.925 27.659 1.00 0.00 C ATOM 1560 O ALA A 98 -8.652 4.009 28.568 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.886 5.290 28.225 1.00 0.00 C ATOM 0 H ALA A 98 -7.858 6.863 27.958 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.610 4.964 26.231 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.280 4.385 28.251 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.266 6.133 27.919 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.295 5.481 29.217 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.566 2.781 26.999 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.197 1.543 27.339 1.00 0.00 C ATOM 1569 C GLY A 99 -7.173 0.496 27.081 1.00 0.00 C ATOM 1570 O GLY A 99 -6.038 0.806 26.728 1.00 0.00 O ATOM 0 H GLY A 99 -6.910 2.715 26.221 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.512 1.536 28.382 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.089 1.378 26.735 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.560 -0.779 27.254 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.675 -1.880 27.018 1.00 0.00 C ATOM 1576 C PHE A 100 -7.602 -2.947 26.556 1.00 0.00 C ATOM 1577 O PHE A 100 -8.402 -3.457 27.338 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.962 -2.333 28.321 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.059 -3.519 28.151 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.736 -3.339 27.802 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.486 -4.803 28.448 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.863 -4.400 27.716 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.618 -5.874 28.362 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.302 -5.676 27.996 1.00 0.00 C ATOM 0 H PHE A 100 -8.494 -1.051 27.560 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.880 -1.636 26.313 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.378 -1.499 28.710 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.717 -2.570 29.071 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.377 -2.342 27.591 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.510 -4.969 28.750 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.835 -4.233 27.429 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.971 -6.871 28.582 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.623 -6.513 27.930 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.528 -3.296 25.257 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.441 -4.259 24.723 1.00 0.00 C ATOM 1596 C ARG A 101 -7.896 -4.785 23.437 1.00 0.00 C ATOM 1597 O ARG A 101 -6.860 -4.345 22.940 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.883 -3.739 24.494 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.019 -2.539 23.542 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.483 -2.235 23.209 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.008 -3.410 22.454 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.346 -3.589 22.259 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -14.235 -2.622 22.628 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -13.795 -4.747 21.690 1.00 0.00 N ATOM 0 H ARG A 101 -6.853 -2.921 24.591 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.528 -5.039 25.479 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.487 -4.558 24.104 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.307 -3.463 25.459 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.561 -1.661 23.997 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.472 -2.743 22.621 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.060 -2.071 24.119 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.563 -1.326 22.613 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.352 -4.094 22.076 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.901 -1.757 23.053 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.234 -2.764 22.479 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.131 -5.471 21.414 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.794 -4.888 21.541 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.625 -5.776 22.897 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.288 -6.494 21.710 1.00 0.00 C ATOM 1620 C ASN A 102 -8.601 -5.680 20.493 1.00 0.00 C ATOM 1621 O ASN A 102 -9.594 -4.956 20.429 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.015 -7.856 21.645 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.537 -7.729 21.776 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -11.098 -7.356 22.812 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.215 -8.125 20.658 1.00 0.00 N ATOM 0 H ASN A 102 -9.500 -6.094 23.314 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.216 -6.687 21.737 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.777 -8.344 20.700 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.640 -8.500 22.440 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.235 -8.122 20.652 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.701 -8.424 19.829 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.701 -5.808 19.497 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.749 -5.093 18.254 1.00 0.00 C ATOM 1634 C VAL A 103 -8.366 -6.014 17.248 1.00 0.00 C ATOM 1635 O VAL A 103 -8.211 -7.228 17.355 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.365 -4.674 17.772 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.797 -3.612 18.734 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.402 -5.878 17.675 1.00 0.00 C ATOM 0 H VAL A 103 -6.903 -6.439 19.561 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.326 -4.178 18.387 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.461 -4.257 16.770 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.807 -3.307 18.396 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.458 -2.745 18.750 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.724 -4.032 19.737 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.427 -5.537 17.328 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.297 -6.340 18.657 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.802 -6.608 16.972 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.065 -5.458 16.232 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.455 -6.224 15.079 1.00 0.00 C ATOM 1650 C VAL A 104 -8.612 -5.682 13.977 1.00 0.00 C ATOM 1651 O VAL A 104 -8.984 -4.714 13.315 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.915 -6.089 14.707 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.217 -6.853 13.406 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.754 -6.697 15.836 1.00 0.00 C ATOM 0 H VAL A 104 -9.359 -4.482 16.209 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.317 -7.287 15.277 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.152 -5.035 14.560 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.272 -6.743 13.156 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.609 -6.449 12.597 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.984 -7.909 13.542 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.812 -6.611 15.590 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.494 -7.749 15.957 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.553 -6.164 16.766 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.438 -6.303 13.766 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.541 -5.856 12.730 1.00 0.00 C ATOM 1666 C VAL A 105 -6.941 -6.647 11.523 1.00 0.00 C ATOM 1667 O VAL A 105 -7.129 -7.857 11.608 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.070 -6.014 13.017 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.687 -5.002 14.106 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.672 -7.430 13.459 1.00 0.00 C ATOM 0 H VAL A 105 -7.107 -7.105 14.302 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.640 -4.777 12.612 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.531 -5.832 12.087 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.625 -5.096 14.333 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.895 -3.992 13.753 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.269 -5.199 15.006 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.599 -7.464 13.647 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.209 -7.691 14.371 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.926 -8.141 12.673 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.102 -5.975 10.370 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.525 -6.648 9.173 1.00 0.00 C ATOM 1682 C ALA A 106 -6.291 -7.050 8.444 1.00 0.00 C ATOM 1683 O ALA A 106 -5.427 -6.215 8.178 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.403 -5.796 8.250 1.00 0.00 C ATOM 0 H ALA A 106 -6.942 -4.973 10.262 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.144 -7.496 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.678 -6.378 7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.305 -5.494 8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.851 -4.909 7.940 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.195 -8.363 8.142 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.991 -8.968 7.654 1.00 0.00 C ATOM 1692 C CYS A 107 -5.115 -9.332 6.216 1.00 0.00 C ATOM 1693 O CYS A 107 -6.072 -9.983 5.801 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.648 -10.259 8.420 1.00 0.00 C ATOM 1695 SG CYS A 107 -3.181 -11.118 7.815 1.00 0.00 S ATOM 0 H CYS A 107 -6.972 -9.017 8.240 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.205 -8.227 7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.503 -10.015 9.472 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.500 -10.937 8.365 1.00 0.00 H new ATOM 1700 N GLU A 108 -4.089 -8.930 5.441 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.879 -9.404 4.109 1.00 0.00 C ATOM 1702 C GLU A 108 -2.471 -9.908 4.120 1.00 0.00 C ATOM 1703 O GLU A 108 -1.588 -9.253 4.667 1.00 0.00 O ATOM 1704 CB GLU A 108 -4.012 -8.277 3.059 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.931 -8.728 1.592 1.00 0.00 C ATOM 1706 CD GLU A 108 -5.051 -9.720 1.311 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -6.241 -9.332 1.460 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.731 -10.882 0.943 1.00 0.00 O ATOM 0 H GLU A 108 -3.388 -8.257 5.751 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.618 -10.158 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.965 -7.771 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.228 -7.542 3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.017 -7.867 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.963 -9.188 1.393 1.00 0.00 H new ATOM 1715 N ASN A 109 -2.240 -11.089 3.500 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.957 -11.704 3.222 1.00 0.00 C ATOM 1717 C ASN A 109 -0.127 -12.129 4.409 1.00 0.00 C ATOM 1718 O ASN A 109 1.077 -12.346 4.271 1.00 0.00 O ATOM 1719 CB ASN A 109 -0.064 -10.978 2.168 1.00 0.00 C ATOM 1720 CG ASN A 109 0.559 -9.635 2.595 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.526 -9.579 3.363 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.000 -8.524 2.024 1.00 0.00 N ATOM 0 H ASN A 109 -3.013 -11.664 3.164 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.316 -12.625 2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.744 -11.653 1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.664 -10.806 1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.381 -7.600 2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.798 -8.620 1.396 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.740 -12.285 5.603 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.019 -12.699 6.777 1.00 0.00 C ATOM 1731 C GLY A 110 0.537 -11.495 7.472 1.00 0.00 C ATOM 1732 O GLY A 110 1.456 -11.613 8.282 1.00 0.00 O ATOM 0 H GLY A 110 -1.736 -12.124 5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.680 -13.247 7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.788 -13.378 6.501 1.00 0.00 H new ATOM 1736 N LEU A 111 -0.023 -10.308 7.163 1.00 0.00 N ATOM 1737 CA LEU A 111 0.424 -9.066 7.727 1.00 0.00 C ATOM 1738 C LEU A 111 -0.834 -8.374 8.112 1.00 0.00 C ATOM 1739 O LEU A 111 -1.720 -8.342 7.266 1.00 0.00 O ATOM 1740 CB LEU A 111 1.030 -8.141 6.665 1.00 0.00 C ATOM 1741 CG LEU A 111 2.547 -7.915 6.742 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.427 -9.116 7.068 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.070 -7.231 5.472 1.00 0.00 C ATOM 0 H LEU A 111 -0.800 -10.208 6.510 1.00 0.00 H new ATOM 0 HA LEU A 111 1.151 -9.260 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.795 -8.549 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.536 -7.172 6.734 1.00 0.00 H new ATOM 0 HG LEU A 111 2.639 -7.271 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.472 -8.807 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.148 -9.518 8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.291 -9.884 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.147 -7.084 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.855 -7.858 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.580 -6.265 5.351 1.00 0.00 H new ATOM 1755 N PRO A 112 -1.021 -7.812 9.283 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.159 -6.980 9.547 1.00 0.00 C ATOM 1757 C PRO A 112 -1.896 -5.690 8.830 1.00 0.00 C ATOM 1758 O PRO A 112 -1.042 -4.929 9.262 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.174 -6.824 11.060 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.749 -7.119 11.518 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.229 -8.090 10.465 1.00 0.00 C ATOM 0 HA PRO A 112 -3.123 -7.365 9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.477 -5.817 11.347 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.883 -7.513 11.518 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.146 -6.212 11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.731 -7.561 12.514 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.833 -7.936 10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.348 -9.124 10.787 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.623 -5.422 7.728 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.341 -4.299 6.882 1.00 0.00 C ATOM 1771 C VAL A 113 -3.185 -3.130 7.280 1.00 0.00 C ATOM 1772 O VAL A 113 -2.967 -2.017 6.805 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.564 -4.587 5.410 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.444 -5.532 4.933 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.967 -5.179 5.159 1.00 0.00 C ATOM 0 H VAL A 113 -3.413 -5.988 7.420 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.283 -4.076 7.016 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.524 -3.660 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.582 -5.755 3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.476 -5.052 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.480 -6.458 5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.095 -5.374 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.073 -6.111 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.726 -4.471 5.492 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.194 -3.369 8.142 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.193 -2.378 8.407 1.00 0.00 C ATOM 1787 C HIS A 114 -5.688 -2.702 9.779 1.00 0.00 C ATOM 1788 O HIS A 114 -5.203 -3.644 10.401 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.309 -2.463 7.339 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.599 -1.740 7.609 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -7.763 -0.400 7.391 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -8.778 -2.217 8.077 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.009 -0.075 7.712 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -9.646 -1.161 8.131 1.00 0.00 N ATOM 0 H HIS A 114 -4.317 -4.244 8.652 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.817 -1.356 8.362 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -5.903 -2.084 6.401 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.543 -3.516 7.183 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.992 -3.238 8.355 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.436 0.915 7.643 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.617 -1.202 8.441 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.646 -1.900 10.284 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.221 -2.059 11.584 1.00 0.00 C ATOM 1805 C LEU A 115 -8.447 -1.232 11.521 1.00 0.00 C ATOM 1806 O LEU A 115 -8.418 -0.077 11.096 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.247 -1.575 12.673 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.671 -1.295 14.137 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.972 0.196 14.312 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.616 -2.324 14.769 1.00 0.00 C ATOM 0 H LEU A 115 -7.034 -1.111 9.766 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.439 -3.096 11.841 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.448 -2.315 12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.804 -0.652 12.300 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.823 -1.487 14.795 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.270 0.389 15.343 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.080 0.777 14.077 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.781 0.485 13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.845 -2.027 15.792 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.538 -2.374 14.190 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.137 -3.303 14.774 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.558 -1.853 11.946 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.841 -1.233 11.974 1.00 0.00 C ATOM 1824 C ASP A 116 -10.908 -0.351 13.177 1.00 0.00 C ATOM 1825 O ASP A 116 -10.547 -0.746 14.284 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.990 -2.251 12.085 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.013 -3.129 10.839 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.128 -4.016 10.707 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -12.932 -2.926 10.002 1.00 0.00 O ATOM 0 H ASP A 116 -9.563 -2.817 12.280 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.959 -0.683 11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.860 -2.867 12.975 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.942 -1.731 12.194 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.430 0.875 12.972 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.728 1.799 14.031 1.00 0.00 C ATOM 1836 C GLN A 117 -13.224 1.698 14.250 1.00 0.00 C ATOM 1837 O GLN A 117 -13.900 2.714 14.408 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.480 3.268 13.603 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.023 3.630 13.264 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.151 3.605 14.520 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -9.685 4.198 15.627 1.00 0.00 O flip ATOM 1842 NE2 GLN A 117 -8.031 3.083 14.508 1.00 0.00 N flip ATOM 0 H GLN A 117 -11.652 1.235 12.044 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.110 1.562 14.897 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.100 3.483 12.732 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.820 3.923 14.405 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.630 2.927 12.529 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.986 4.620 12.810 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -7.678 2.653 13.653 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -7.459 3.083 15.353 1.00 0.00 H new ATOM 1851 N SER A 118 -13.786 0.466 14.233 1.00 0.00 N ATOM 1852 CA SER A 118 -15.201 0.228 14.329 1.00 0.00 C ATOM 1853 C SER A 118 -15.481 -0.066 15.760 1.00 0.00 C ATOM 1854 O SER A 118 -16.540 0.265 16.293 1.00 0.00 O ATOM 1855 CB SER A 118 -15.653 -0.984 13.498 1.00 0.00 C ATOM 1856 OG SER A 118 -17.046 -1.206 13.658 1.00 0.00 O ATOM 0 H SER A 118 -13.237 -0.390 14.150 1.00 0.00 H new ATOM 0 HA SER A 118 -15.735 1.100 13.952 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.424 -0.816 12.446 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.100 -1.871 13.807 1.00 0.00 H new ATOM 0 HG SER A 118 -17.318 -1.980 13.121 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.481 -0.697 16.404 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.447 -0.946 17.812 1.00 0.00 C ATOM 1864 C ILE A 119 -14.101 0.307 18.509 1.00 0.00 C ATOM 1865 O ILE A 119 -14.574 0.581 19.612 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.384 -1.922 18.258 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.139 -2.060 17.338 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.102 -3.228 18.565 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -12.282 -2.955 16.105 1.00 0.00 C ATOM 0 H ILE A 119 -13.657 -1.050 15.918 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.431 -1.352 18.045 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.896 -1.530 19.151 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.854 -1.063 17.002 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.314 -2.441 17.940 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.377 -3.973 18.894 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.836 -3.063 19.354 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.608 -3.585 17.668 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.343 -2.964 15.551 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.528 -3.970 16.418 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.077 -2.570 15.466 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.220 1.084 17.856 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.614 2.243 18.414 1.00 0.00 C ATOM 1883 C PHE A 120 -13.291 3.405 17.778 1.00 0.00 C ATOM 1884 O PHE A 120 -12.643 4.362 17.360 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.127 2.299 18.051 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.402 1.033 18.399 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.707 0.252 19.510 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.371 0.617 17.571 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.957 -0.863 19.816 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.627 -0.488 17.887 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.901 -1.230 19.014 1.00 0.00 C ATOM 0 H PHE A 120 -12.920 0.893 16.900 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.706 2.240 19.500 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.024 2.491 16.983 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.661 3.136 18.571 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.541 0.523 20.140 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.153 1.169 16.669 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -10.199 -1.451 20.689 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.812 -0.782 17.242 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.295 -2.088 19.265 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.629 3.306 17.675 1.00 0.00 N ATOM 1902 CA ARG A 121 -15.457 4.318 17.092 1.00 0.00 C ATOM 1903 C ARG A 121 -15.929 5.168 18.216 1.00 0.00 C ATOM 1904 O ARG A 121 -15.961 6.395 18.118 1.00 0.00 O ATOM 1905 CB ARG A 121 -16.664 3.719 16.346 1.00 0.00 C ATOM 1906 CG ARG A 121 -17.475 4.732 15.526 1.00 0.00 C ATOM 1907 CD ARG A 121 -18.577 4.070 14.693 1.00 0.00 C ATOM 1908 NE ARG A 121 -17.928 3.182 13.684 1.00 0.00 N ATOM 1909 CZ ARG A 121 -18.675 2.363 12.886 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -20.034 2.340 13.002 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -18.056 1.565 11.968 1.00 0.00 N ATOM 0 H ARG A 121 -15.152 2.496 18.008 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.890 4.886 16.355 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.309 2.933 15.680 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -17.325 3.247 17.072 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.923 5.463 16.199 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -16.803 5.279 14.864 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -19.244 3.493 15.334 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -19.186 4.827 14.198 1.00 0.00 H new ATOM 0 HE ARG A 121 -16.912 3.187 13.589 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.498 2.936 13.687 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -20.587 1.726 12.403 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -17.040 1.582 11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -18.609 0.952 11.370 1.00 0.00 H new ATOM 1925 N ARG A 122 -16.302 4.497 19.317 1.00 0.00 N ATOM 1926 CA ARG A 122 -16.682 5.157 20.527 1.00 0.00 C ATOM 1927 C ARG A 122 -15.951 4.417 21.613 1.00 0.00 C ATOM 1928 O ARG A 122 -16.388 3.325 21.977 1.00 0.00 O ATOM 1929 CB ARG A 122 -18.205 5.107 20.780 1.00 0.00 C ATOM 1930 CG ARG A 122 -18.695 5.890 22.014 1.00 0.00 C ATOM 1931 CD ARG A 122 -18.319 7.381 22.033 1.00 0.00 C ATOM 1932 NE ARG A 122 -18.761 8.020 20.754 1.00 0.00 N ATOM 1933 CZ ARG A 122 -19.990 8.601 20.606 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -20.893 8.608 21.628 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -20.316 9.181 19.413 1.00 0.00 N ATOM 0 H ARG A 122 -16.341 3.479 19.370 1.00 0.00 H new ATOM 0 HA ARG A 122 -16.430 6.217 20.484 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -18.716 5.494 19.898 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -18.504 4.065 20.890 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -19.780 5.804 22.072 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -18.290 5.418 22.909 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -18.791 7.876 22.882 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -17.242 7.495 22.156 1.00 0.00 H new ATOM 0 HE ARG A 122 -18.120 8.022 19.961 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -20.656 8.175 22.521 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -21.805 9.046 21.500 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -19.646 9.178 18.644 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -21.230 9.617 19.291 1.00 0.00 H new ATOM 1949 N PRO A 123 -14.854 4.919 22.154 1.00 0.00 N ATOM 1950 CA PRO A 123 -14.080 4.178 23.104 1.00 0.00 C ATOM 1951 C PRO A 123 -14.790 4.329 24.423 1.00 0.00 C ATOM 1952 O PRO A 123 -14.659 3.399 25.268 1.00 0.00 O ATOM 1953 CB PRO A 123 -12.710 4.858 23.111 1.00 0.00 C ATOM 1954 CG PRO A 123 -12.975 6.283 22.616 1.00 0.00 C ATOM 1955 CD PRO A 123 -14.177 6.114 21.690 1.00 0.00 C ATOM 1956 OXT PRO A 123 -15.441 5.384 24.655 1.00 0.00 O ATOM 0 HA PRO A 123 -13.964 3.116 22.887 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -12.276 4.861 24.111 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -12.007 4.338 22.460 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -13.194 6.961 23.441 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -12.114 6.692 22.087 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -14.835 6.982 21.737 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -13.862 6.009 20.652 1.00 0.00 H new TER 1964 PRO A 123