USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 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 35 GLN :FLIP amide:sc= -0.242 F(o=-0.82,f=-0.052) USER MOD Set 1.2: A 45 LYS NZ :NH3+ -146:sc= 0.19 (180deg=-0.551) USER MOD Set 2.1: A 14 ASN : amide:sc= -6.27! C(o=-7.3!,f=-14!) USER MOD Set 2.2: A 20 TYR OH : rot 30:sc= -1! USER MOD Set 2.3: A 41 GLN : amide:sc= 0 X(o=-7.3,f=-7.3) USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 25 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.46) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00074 USER MOD Single : A 22 TYR OH : rot 15:sc= -0.0344 USER MOD Single : A 27 ASN : amide:sc=-0.00372 K(o=-0.0037,f=-1.5) USER MOD Single : A 28 SER OG : rot -81:sc= 0.519 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.0279 X(o=0.028,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0909 K(o=-0.091,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 53 GLN : amide:sc= 0.00407 X(o=0.0041,f=-0.005) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.18 F(o=-3.3!,f=-1.2) USER MOD Single : A 58 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.5!) USER MOD Single : A 66 TYR OH : rot 60:sc= -0.174 USER MOD Single : A 69 GLN : amide:sc= -2.06! C(o=-2.1!,f=-5.3!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0989 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.102 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.934 8.454 -14.449 1.00 0.00 N ATOM 2 CA GLY A 1 -4.034 7.534 -13.332 1.00 0.00 C ATOM 3 C GLY A 1 -5.296 7.743 -12.519 1.00 0.00 C ATOM 4 O GLY A 1 -6.401 7.740 -13.063 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.054 8.270 -14.973 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.748 8.321 -15.082 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.928 9.432 -14.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.012 6.510 -13.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.165 7.656 -12.686 1.00 0.00 H new ATOM 8 N SER A 2 -5.134 7.924 -11.212 1.00 0.00 N ATOM 9 CA SER A 2 -6.270 8.130 -10.322 1.00 0.00 C ATOM 10 C SER A 2 -7.406 7.169 -10.659 1.00 0.00 C ATOM 11 O SER A 2 -8.557 7.578 -10.805 1.00 0.00 O ATOM 12 CB SER A 2 -6.764 9.574 -10.417 1.00 0.00 C ATOM 13 OG SER A 2 -5.937 10.447 -9.667 1.00 0.00 O ATOM 0 H SER A 2 -4.227 7.932 -10.746 1.00 0.00 H new ATOM 0 HA SER A 2 -5.941 7.932 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.778 9.889 -11.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.789 9.636 -10.051 1.00 0.00 H new ATOM 0 HG SER A 2 -6.273 11.364 -9.746 1.00 0.00 H new ATOM 19 N SER A 3 -7.072 5.888 -10.781 1.00 0.00 N ATOM 20 CA SER A 3 -8.062 4.867 -11.105 1.00 0.00 C ATOM 21 C SER A 3 -7.594 3.490 -10.644 1.00 0.00 C ATOM 22 O SER A 3 -6.401 3.192 -10.656 1.00 0.00 O ATOM 23 CB SER A 3 -8.333 4.849 -12.610 1.00 0.00 C ATOM 24 OG SER A 3 -7.159 4.529 -13.336 1.00 0.00 O ATOM 0 H SER A 3 -6.124 5.533 -10.660 1.00 0.00 H new ATOM 0 HA SER A 3 -8.985 5.112 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.112 4.121 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.706 5.823 -12.927 1.00 0.00 H new ATOM 0 HG SER A 3 -7.359 4.522 -14.295 1.00 0.00 H new ATOM 30 N GLY A 4 -8.545 2.654 -10.239 1.00 0.00 N ATOM 31 CA GLY A 4 -8.211 1.318 -9.780 1.00 0.00 C ATOM 32 C GLY A 4 -9.415 0.573 -9.239 1.00 0.00 C ATOM 33 O GLY A 4 -10.227 1.140 -8.507 1.00 0.00 O ATOM 0 H GLY A 4 -9.540 2.878 -10.220 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.778 0.752 -10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.449 1.384 -9.003 1.00 0.00 H new ATOM 37 N SER A 5 -9.532 -0.701 -9.600 1.00 0.00 N ATOM 38 CA SER A 5 -10.650 -1.523 -9.150 1.00 0.00 C ATOM 39 C SER A 5 -10.150 -2.774 -8.435 1.00 0.00 C ATOM 40 O SER A 5 -10.803 -3.818 -8.456 1.00 0.00 O ATOM 41 CB SER A 5 -11.530 -1.917 -10.337 1.00 0.00 C ATOM 42 OG SER A 5 -10.749 -2.156 -11.495 1.00 0.00 O ATOM 0 H SER A 5 -8.867 -1.186 -10.202 1.00 0.00 H new ATOM 0 HA SER A 5 -11.242 -0.936 -8.447 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.101 -2.812 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.251 -1.124 -10.538 1.00 0.00 H new ATOM 0 HG SER A 5 -11.335 -2.408 -12.239 1.00 0.00 H new ATOM 48 N SER A 6 -8.986 -2.662 -7.802 1.00 0.00 N ATOM 49 CA SER A 6 -8.395 -3.785 -7.083 1.00 0.00 C ATOM 50 C SER A 6 -7.545 -3.295 -5.915 1.00 0.00 C ATOM 51 O SER A 6 -6.487 -2.699 -6.109 1.00 0.00 O ATOM 52 CB SER A 6 -7.542 -4.631 -8.030 1.00 0.00 C ATOM 53 OG SER A 6 -7.419 -5.961 -7.555 1.00 0.00 O ATOM 0 H SER A 6 -8.434 -1.805 -7.773 1.00 0.00 H new ATOM 0 HA SER A 6 -9.204 -4.399 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.992 -4.636 -9.023 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.553 -4.184 -8.130 1.00 0.00 H new ATOM 0 HG SER A 6 -6.871 -6.482 -8.179 1.00 0.00 H new ATOM 59 N GLY A 7 -8.018 -3.551 -4.699 1.00 0.00 N ATOM 60 CA GLY A 7 -7.291 -3.129 -3.516 1.00 0.00 C ATOM 61 C GLY A 7 -8.089 -2.171 -2.654 1.00 0.00 C ATOM 62 O GLY A 7 -9.301 -2.035 -2.826 1.00 0.00 O ATOM 0 H GLY A 7 -8.892 -4.043 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.023 -4.006 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.359 -2.651 -3.818 1.00 0.00 H new ATOM 66 N ILE A 8 -7.411 -1.508 -1.724 1.00 0.00 N ATOM 67 CA ILE A 8 -8.066 -0.559 -0.833 1.00 0.00 C ATOM 68 C ILE A 8 -7.665 0.874 -1.165 1.00 0.00 C ATOM 69 O ILE A 8 -6.709 1.105 -1.905 1.00 0.00 O ATOM 70 CB ILE A 8 -7.727 -0.846 0.642 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.226 -0.674 0.886 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.174 -2.249 1.025 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.860 -0.566 2.350 1.00 0.00 C ATOM 0 H ILE A 8 -6.408 -1.610 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.139 -0.677 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.262 -0.132 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.696 -1.520 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.882 0.221 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.928 -2.437 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.251 -2.339 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.664 -2.978 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.781 -0.446 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.362 0.297 2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.173 -1.471 2.871 1.00 0.00 H new ATOM 85 N GLN A 9 -8.401 1.832 -0.612 1.00 0.00 N ATOM 86 CA GLN A 9 -8.121 3.243 -0.849 1.00 0.00 C ATOM 87 C GLN A 9 -7.776 3.957 0.454 1.00 0.00 C ATOM 88 O GLN A 9 -8.608 4.063 1.355 1.00 0.00 O ATOM 89 CB GLN A 9 -9.323 3.919 -1.512 1.00 0.00 C ATOM 90 CG GLN A 9 -9.040 5.336 -1.984 1.00 0.00 C ATOM 91 CD GLN A 9 -10.108 5.863 -2.921 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.250 6.086 -2.517 1.00 0.00 O ATOM 93 NE2 GLN A 9 -9.743 6.067 -4.181 1.00 0.00 N ATOM 0 H GLN A 9 -9.196 1.657 0.003 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.262 3.309 -1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.643 3.318 -2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.153 3.939 -0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.964 5.995 -1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.074 5.361 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.786 5.869 -4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.420 6.422 -4.857 1.00 0.00 H new ATOM 102 N VAL A 10 -6.543 4.444 0.548 1.00 0.00 N ATOM 103 CA VAL A 10 -6.088 5.148 1.741 1.00 0.00 C ATOM 104 C VAL A 10 -5.939 6.641 1.475 1.00 0.00 C ATOM 105 O VAL A 10 -5.738 7.063 0.335 1.00 0.00 O ATOM 106 CB VAL A 10 -4.743 4.590 2.243 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.849 3.096 2.507 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.637 4.886 1.241 1.00 0.00 C ATOM 0 H VAL A 10 -5.841 4.364 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.846 4.993 2.508 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.493 5.083 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.889 2.720 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.612 2.914 3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.122 2.582 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.694 4.485 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.878 4.422 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.546 5.964 1.108 1.00 0.00 H new ATOM 118 N PHE A 11 -6.038 7.439 2.533 1.00 0.00 N ATOM 119 CA PHE A 11 -5.915 8.887 2.414 1.00 0.00 C ATOM 120 C PHE A 11 -4.616 9.376 3.047 1.00 0.00 C ATOM 121 O PHE A 11 -4.492 9.435 4.271 1.00 0.00 O ATOM 122 CB PHE A 11 -7.109 9.578 3.075 1.00 0.00 C ATOM 123 CG PHE A 11 -8.431 9.199 2.470 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.673 9.398 1.120 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.432 8.644 3.251 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.888 9.050 0.560 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.648 8.293 2.697 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.877 8.498 1.350 1.00 0.00 C ATOM 0 H PHE A 11 -6.203 7.107 3.483 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.900 9.139 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.120 9.331 4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.981 10.658 3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.903 9.830 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.260 8.484 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.063 9.210 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.419 7.859 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.828 8.227 0.916 1.00 0.00 H new ATOM 138 N VAL A 12 -3.649 9.726 2.205 1.00 0.00 N ATOM 139 CA VAL A 12 -2.358 10.210 2.681 1.00 0.00 C ATOM 140 C VAL A 12 -2.397 11.712 2.939 1.00 0.00 C ATOM 141 O VAL A 12 -2.392 12.514 2.005 1.00 0.00 O ATOM 142 CB VAL A 12 -1.236 9.902 1.672 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.089 10.469 2.158 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.130 8.403 1.436 1.00 0.00 C ATOM 0 H VAL A 12 -3.735 9.684 1.190 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.149 9.689 3.615 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.482 10.380 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.870 10.242 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.003 11.550 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.345 10.023 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.332 8.203 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.907 7.901 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.074 8.029 1.040 1.00 0.00 H new ATOM 154 N LYS A 13 -2.434 12.088 4.213 1.00 0.00 N ATOM 155 CA LYS A 13 -2.471 13.494 4.596 1.00 0.00 C ATOM 156 C LYS A 13 -1.072 14.102 4.571 1.00 0.00 C ATOM 157 O LYS A 13 -0.189 13.681 5.316 1.00 0.00 O ATOM 158 CB LYS A 13 -3.080 13.648 5.992 1.00 0.00 C ATOM 159 CG LYS A 13 -3.208 15.092 6.444 1.00 0.00 C ATOM 160 CD LYS A 13 -3.894 15.194 7.796 1.00 0.00 C ATOM 161 CE LYS A 13 -3.644 16.546 8.447 1.00 0.00 C ATOM 162 NZ LYS A 13 -4.777 16.959 9.321 1.00 0.00 N ATOM 0 H LYS A 13 -2.439 11.437 4.999 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.092 14.025 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.066 13.184 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.465 13.105 6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.218 15.545 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.775 15.657 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.966 15.041 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.531 14.401 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.728 16.501 9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.489 17.298 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.568 17.885 9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.646 17.026 8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.909 16.254 10.074 1.00 0.00 H new ATOM 176 N ASN A 14 -0.879 15.095 3.709 1.00 0.00 N ATOM 177 CA ASN A 14 0.412 15.762 3.587 1.00 0.00 C ATOM 178 C ASN A 14 0.567 16.846 4.649 1.00 0.00 C ATOM 179 O ASN A 14 -0.411 17.396 5.157 1.00 0.00 O ATOM 180 CB ASN A 14 0.565 16.372 2.193 1.00 0.00 C ATOM 181 CG ASN A 14 -0.670 17.137 1.758 1.00 0.00 C ATOM 182 OD1 ASN A 14 -1.527 17.471 2.576 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.767 17.417 0.463 1.00 0.00 N ATOM 0 H ASN A 14 -1.600 15.456 3.085 1.00 0.00 H new ATOM 0 HA ASN A 14 1.193 15.017 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.425 17.041 2.185 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.771 15.580 1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.576 17.929 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.032 17.120 -0.179 1.00 0.00 H new ATOM 190 N PRO A 15 1.824 17.163 4.993 1.00 0.00 N ATOM 191 CA PRO A 15 2.136 18.184 5.997 1.00 0.00 C ATOM 192 C PRO A 15 1.811 19.593 5.512 1.00 0.00 C ATOM 193 O PRO A 15 1.704 20.525 6.308 1.00 0.00 O ATOM 194 CB PRO A 15 3.645 18.026 6.206 1.00 0.00 C ATOM 195 CG PRO A 15 4.143 17.432 4.934 1.00 0.00 C ATOM 196 CD PRO A 15 3.037 16.548 4.429 1.00 0.00 C ATOM 0 HA PRO A 15 1.549 18.054 6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.120 18.986 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.861 17.379 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.384 18.209 4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.055 16.859 5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.007 16.525 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.160 15.519 4.766 1.00 0.00 H new ATOM 204 N ASP A 16 1.654 19.740 4.201 1.00 0.00 N ATOM 205 CA ASP A 16 1.339 21.035 3.609 1.00 0.00 C ATOM 206 C ASP A 16 -0.153 21.335 3.721 1.00 0.00 C ATOM 207 O ASP A 16 -0.549 22.399 4.194 1.00 0.00 O ATOM 208 CB ASP A 16 1.770 21.068 2.142 1.00 0.00 C ATOM 209 CG ASP A 16 1.437 22.386 1.470 1.00 0.00 C ATOM 210 OD1 ASP A 16 1.661 23.444 2.095 1.00 0.00 O ATOM 211 OD2 ASP A 16 0.953 22.359 0.320 1.00 0.00 O ATOM 0 H ASP A 16 1.740 18.978 3.528 1.00 0.00 H new ATOM 0 HA ASP A 16 1.888 21.801 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.844 20.892 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.281 20.256 1.604 1.00 0.00 H new ATOM 216 N GLY A 17 -0.976 20.388 3.280 1.00 0.00 N ATOM 217 CA GLY A 17 -2.415 20.570 3.338 1.00 0.00 C ATOM 218 C GLY A 17 -3.124 19.975 2.138 1.00 0.00 C ATOM 219 O GLY A 17 -3.180 20.589 1.073 1.00 0.00 O ATOM 0 H GLY A 17 -0.672 19.499 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.800 20.110 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.641 21.635 3.399 1.00 0.00 H new ATOM 223 N GLY A 18 -3.666 18.773 2.309 1.00 0.00 N ATOM 224 CA GLY A 18 -4.365 18.113 1.222 1.00 0.00 C ATOM 225 C GLY A 18 -4.101 16.621 1.183 1.00 0.00 C ATOM 226 O GLY A 18 -3.005 16.186 0.830 1.00 0.00 O ATOM 0 H GLY A 18 -3.633 18.245 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.436 18.287 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.059 18.558 0.275 1.00 0.00 H new ATOM 230 N SER A 19 -5.108 15.833 1.549 1.00 0.00 N ATOM 231 CA SER A 19 -4.977 14.381 1.560 1.00 0.00 C ATOM 232 C SER A 19 -5.409 13.787 0.223 1.00 0.00 C ATOM 233 O SER A 19 -6.473 14.115 -0.301 1.00 0.00 O ATOM 234 CB SER A 19 -5.814 13.781 2.691 1.00 0.00 C ATOM 235 OG SER A 19 -7.181 13.701 2.326 1.00 0.00 O ATOM 0 H SER A 19 -6.023 16.176 1.842 1.00 0.00 H new ATOM 0 HA SER A 19 -3.928 14.137 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.441 12.787 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.709 14.391 3.588 1.00 0.00 H new ATOM 0 HG SER A 19 -7.695 13.313 3.065 1.00 0.00 H new ATOM 241 N TYR A 20 -4.574 12.910 -0.324 1.00 0.00 N ATOM 242 CA TYR A 20 -4.866 12.271 -1.602 1.00 0.00 C ATOM 243 C TYR A 20 -5.288 10.818 -1.400 1.00 0.00 C ATOM 244 O TYR A 20 -4.911 10.182 -0.417 1.00 0.00 O ATOM 245 CB TYR A 20 -3.645 12.336 -2.520 1.00 0.00 C ATOM 246 CG TYR A 20 -2.863 13.624 -2.397 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.289 14.782 -3.035 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.698 13.684 -1.641 1.00 0.00 C ATOM 249 CE1 TYR A 20 -2.577 15.961 -2.926 1.00 0.00 C ATOM 250 CE2 TYR A 20 -0.981 14.859 -1.525 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.424 15.994 -2.170 1.00 0.00 C ATOM 252 OH TYR A 20 -0.713 17.167 -2.058 1.00 0.00 O ATOM 0 H TYR A 20 -3.690 12.625 0.098 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.691 12.809 -2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.986 11.498 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.971 12.216 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.192 14.760 -3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.347 12.796 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.921 16.852 -3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.079 14.888 -0.932 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.326 17.929 -2.128 1.00 0.00 H new ATOM 262 N ALA A 21 -6.072 10.301 -2.340 1.00 0.00 N ATOM 263 CA ALA A 21 -6.544 8.924 -2.269 1.00 0.00 C ATOM 264 C ALA A 21 -5.700 8.008 -3.150 1.00 0.00 C ATOM 265 O ALA A 21 -5.775 8.070 -4.377 1.00 0.00 O ATOM 266 CB ALA A 21 -8.008 8.846 -2.673 1.00 0.00 C ATOM 0 H ALA A 21 -6.394 10.815 -3.160 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.445 8.585 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.347 7.812 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.605 9.461 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.123 9.209 -3.694 1.00 0.00 H new ATOM 272 N TYR A 22 -4.897 7.161 -2.516 1.00 0.00 N ATOM 273 CA TYR A 22 -4.037 6.235 -3.242 1.00 0.00 C ATOM 274 C TYR A 22 -4.658 4.842 -3.297 1.00 0.00 C ATOM 275 O TYR A 22 -5.239 4.371 -2.319 1.00 0.00 O ATOM 276 CB TYR A 22 -2.658 6.164 -2.585 1.00 0.00 C ATOM 277 CG TYR A 22 -1.793 7.374 -2.861 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.946 8.544 -2.128 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.822 7.345 -3.854 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.159 9.651 -2.378 1.00 0.00 C ATOM 281 CE2 TYR A 22 -0.029 8.447 -4.110 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.201 9.598 -3.369 1.00 0.00 C ATOM 283 OH TYR A 22 0.586 10.698 -3.620 1.00 0.00 O ATOM 0 H TYR A 22 -4.824 7.097 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.928 6.605 -4.261 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.783 6.055 -1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.142 5.271 -2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.693 8.589 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.685 6.446 -4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.293 10.554 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.721 8.408 -4.886 1.00 0.00 H new ATOM 0 HH TYR A 22 0.511 11.331 -2.875 1.00 0.00 H new ATOM 293 N ALA A 23 -4.531 4.189 -4.447 1.00 0.00 N ATOM 294 CA ALA A 23 -5.077 2.850 -4.630 1.00 0.00 C ATOM 295 C ALA A 23 -3.969 1.803 -4.644 1.00 0.00 C ATOM 296 O ALA A 23 -3.125 1.792 -5.540 1.00 0.00 O ATOM 297 CB ALA A 23 -5.888 2.782 -5.916 1.00 0.00 C ATOM 0 H ALA A 23 -4.055 4.566 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.734 2.634 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.290 1.776 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.709 3.497 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.247 3.024 -6.764 1.00 0.00 H new ATOM 303 N ILE A 24 -3.978 0.926 -3.646 1.00 0.00 N ATOM 304 CA ILE A 24 -2.974 -0.126 -3.545 1.00 0.00 C ATOM 305 C ILE A 24 -3.548 -1.374 -2.883 1.00 0.00 C ATOM 306 O ILE A 24 -4.337 -1.283 -1.943 1.00 0.00 O ATOM 307 CB ILE A 24 -1.744 0.345 -2.746 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.746 -0.802 -2.581 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.170 0.884 -1.388 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.688 -0.340 -2.441 1.00 0.00 C ATOM 0 H ILE A 24 -4.669 0.923 -2.896 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.667 -0.367 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.256 1.149 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.018 -1.386 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.823 -1.466 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.290 1.213 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.847 1.727 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.678 0.099 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.340 -1.206 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.979 0.219 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.780 0.300 -1.564 1.00 0.00 H new ATOM 322 N ASN A 25 -3.146 -2.539 -3.380 1.00 0.00 N ATOM 323 CA ASN A 25 -3.620 -3.806 -2.836 1.00 0.00 C ATOM 324 C ASN A 25 -3.120 -4.006 -1.409 1.00 0.00 C ATOM 325 O ASN A 25 -2.017 -3.597 -1.048 1.00 0.00 O ATOM 326 CB ASN A 25 -3.158 -4.968 -3.718 1.00 0.00 C ATOM 327 CG ASN A 25 -4.059 -5.174 -4.921 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.313 -5.528 -4.667 1.00 0.00 O flip ATOM 329 ND2 ASN A 25 -3.631 -5.017 -6.064 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.493 -2.632 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.710 -3.781 -2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.140 -4.780 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.133 -5.883 -3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.659 -4.744 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.248 -5.159 -6.864 1.00 0.00 H new ATOM 336 N PRO A 26 -3.950 -4.652 -0.576 1.00 0.00 N ATOM 337 CA PRO A 26 -3.614 -4.923 0.825 1.00 0.00 C ATOM 338 C PRO A 26 -2.507 -5.963 0.965 1.00 0.00 C ATOM 339 O PRO A 26 -1.816 -6.014 1.981 1.00 0.00 O ATOM 340 CB PRO A 26 -4.925 -5.456 1.408 1.00 0.00 C ATOM 341 CG PRO A 26 -5.655 -6.024 0.240 1.00 0.00 C ATOM 342 CD PRO A 26 -5.281 -5.169 -0.939 1.00 0.00 C ATOM 0 HA PRO A 26 -3.236 -4.035 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.741 -6.216 2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.498 -4.661 1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.374 -7.064 0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.732 -6.008 0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.249 -5.748 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.997 -4.362 -1.094 1.00 0.00 H new ATOM 350 N ASN A 27 -2.344 -6.789 -0.064 1.00 0.00 N ATOM 351 CA ASN A 27 -1.320 -7.827 -0.055 1.00 0.00 C ATOM 352 C ASN A 27 0.067 -7.226 -0.261 1.00 0.00 C ATOM 353 O ASN A 27 1.044 -7.672 0.340 1.00 0.00 O ATOM 354 CB ASN A 27 -1.606 -8.864 -1.143 1.00 0.00 C ATOM 355 CG ASN A 27 -2.755 -9.784 -0.778 1.00 0.00 C ATOM 356 OD1 ASN A 27 -3.764 -9.346 -0.226 1.00 0.00 O ATOM 357 ND2 ASN A 27 -2.605 -11.067 -1.085 1.00 0.00 N ATOM 0 H ASN A 27 -2.908 -6.759 -0.914 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.343 -8.316 0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.837 -8.352 -2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.710 -9.459 -1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.344 -11.734 -0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.751 -11.385 -1.543 1.00 0.00 H new ATOM 364 N SER A 28 0.144 -6.211 -1.115 1.00 0.00 N ATOM 365 CA SER A 28 1.412 -5.550 -1.404 1.00 0.00 C ATOM 366 C SER A 28 2.059 -5.032 -0.123 1.00 0.00 C ATOM 367 O SER A 28 1.420 -4.973 0.929 1.00 0.00 O ATOM 368 CB SER A 28 1.197 -4.394 -2.383 1.00 0.00 C ATOM 369 OG SER A 28 0.451 -3.349 -1.783 1.00 0.00 O ATOM 0 H SER A 28 -0.656 -5.828 -1.619 1.00 0.00 H new ATOM 0 HA SER A 28 2.080 -6.282 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.162 -4.011 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.675 -4.756 -3.269 1.00 0.00 H new ATOM 0 HG SER A 28 -0.503 -3.572 -1.808 1.00 0.00 H new ATOM 375 N PHE A 29 3.330 -4.659 -0.219 1.00 0.00 N ATOM 376 CA PHE A 29 4.066 -4.147 0.932 1.00 0.00 C ATOM 377 C PHE A 29 3.823 -2.651 1.111 1.00 0.00 C ATOM 378 O PHE A 29 3.449 -1.955 0.167 1.00 0.00 O ATOM 379 CB PHE A 29 5.563 -4.416 0.768 1.00 0.00 C ATOM 380 CG PHE A 29 5.883 -5.849 0.452 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.602 -6.853 1.365 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.465 -6.192 -0.758 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.896 -8.172 1.077 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.761 -7.510 -1.051 1.00 0.00 C ATOM 385 CZ PHE A 29 6.476 -8.501 -0.133 1.00 0.00 C ATOM 0 H PHE A 29 3.873 -4.701 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 29 3.706 -4.665 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.953 -3.781 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.078 -4.131 1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.148 -6.602 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.690 -5.421 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.673 -8.945 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.215 -7.764 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.706 -9.531 -0.360 1.00 0.00 H new ATOM 395 N ILE A 30 4.038 -2.164 2.329 1.00 0.00 N ATOM 396 CA ILE A 30 3.843 -0.752 2.632 1.00 0.00 C ATOM 397 C ILE A 30 4.642 0.130 1.677 1.00 0.00 C ATOM 398 O ILE A 30 4.109 1.078 1.099 1.00 0.00 O ATOM 399 CB ILE A 30 4.254 -0.425 4.080 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.333 -1.143 5.068 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.221 1.078 4.313 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.887 -0.706 4.975 1.00 0.00 C ATOM 0 H ILE A 30 4.347 -2.727 3.121 1.00 0.00 H new ATOM 0 HA ILE A 30 2.780 -0.546 2.510 1.00 0.00 H new ATOM 0 HB ILE A 30 5.273 -0.776 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.391 -2.217 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.693 -0.966 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.514 1.293 5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.913 1.568 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.212 1.451 4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.293 -1.257 5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.816 0.362 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.510 -0.908 3.973 1.00 0.00 H new ATOM 414 N LEU A 31 5.921 -0.189 1.517 1.00 0.00 N ATOM 415 CA LEU A 31 6.794 0.573 0.630 1.00 0.00 C ATOM 416 C LEU A 31 6.111 0.842 -0.707 1.00 0.00 C ATOM 417 O LEU A 31 6.195 1.945 -1.247 1.00 0.00 O ATOM 418 CB LEU A 31 8.106 -0.180 0.404 1.00 0.00 C ATOM 419 CG LEU A 31 9.286 0.660 -0.087 1.00 0.00 C ATOM 420 CD1 LEU A 31 10.600 0.074 0.406 1.00 0.00 C ATOM 421 CD2 LEU A 31 9.279 0.755 -1.605 1.00 0.00 C ATOM 0 H LEU A 31 6.377 -0.970 1.989 1.00 0.00 H new ATOM 0 HA LEU A 31 7.009 1.530 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.392 -0.660 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.926 -0.975 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 31 9.185 1.666 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.428 0.685 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.606 0.059 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.709 -0.943 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.126 1.356 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.355 -0.245 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.351 1.222 -1.936 1.00 0.00 H new ATOM 433 N GLY A 32 5.434 -0.172 -1.235 1.00 0.00 N ATOM 434 CA GLY A 32 4.745 -0.024 -2.503 1.00 0.00 C ATOM 435 C GLY A 32 3.885 1.224 -2.554 1.00 0.00 C ATOM 436 O GLY A 32 3.855 1.925 -3.566 1.00 0.00 O ATOM 0 H GLY A 32 5.350 -1.094 -0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.478 0.010 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.120 -0.900 -2.678 1.00 0.00 H new ATOM 440 N LEU A 33 3.183 1.501 -1.461 1.00 0.00 N ATOM 441 CA LEU A 33 2.317 2.673 -1.385 1.00 0.00 C ATOM 442 C LEU A 33 3.138 3.958 -1.396 1.00 0.00 C ATOM 443 O LEU A 33 2.768 4.939 -2.042 1.00 0.00 O ATOM 444 CB LEU A 33 1.457 2.614 -0.121 1.00 0.00 C ATOM 445 CG LEU A 33 0.711 3.899 0.243 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.095 4.403 -0.944 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.193 3.668 1.445 1.00 0.00 C ATOM 0 H LEU A 33 3.196 0.931 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 33 1.667 2.672 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.726 1.814 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.097 2.339 0.717 1.00 0.00 H new ATOM 0 HG LEU A 33 1.445 4.661 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.619 5.318 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.576 4.608 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.820 3.645 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.716 4.592 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.920 2.891 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.409 3.355 2.298 1.00 0.00 H new ATOM 459 N LYS A 34 4.256 3.947 -0.678 1.00 0.00 N ATOM 460 CA LYS A 34 5.133 5.109 -0.607 1.00 0.00 C ATOM 461 C LYS A 34 5.701 5.447 -1.981 1.00 0.00 C ATOM 462 O LYS A 34 5.770 6.615 -2.363 1.00 0.00 O ATOM 463 CB LYS A 34 6.274 4.854 0.380 1.00 0.00 C ATOM 464 CG LYS A 34 5.916 5.172 1.821 1.00 0.00 C ATOM 465 CD LYS A 34 5.253 3.989 2.505 1.00 0.00 C ATOM 466 CE LYS A 34 5.368 4.084 4.019 1.00 0.00 C ATOM 467 NZ LYS A 34 6.673 3.561 4.510 1.00 0.00 N ATOM 0 H LYS A 34 4.576 3.144 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 34 4.543 5.957 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.575 3.809 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.136 5.454 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.817 5.451 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.247 6.032 1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.202 3.946 2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.714 3.063 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.254 5.123 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.555 3.524 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.712 3.643 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.771 2.562 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.448 4.112 4.089 1.00 0.00 H new ATOM 481 N GLN A 35 6.104 4.418 -2.719 1.00 0.00 N ATOM 482 CA GLN A 35 6.665 4.608 -4.052 1.00 0.00 C ATOM 483 C GLN A 35 5.760 5.493 -4.903 1.00 0.00 C ATOM 484 O GLN A 35 6.237 6.345 -5.652 1.00 0.00 O ATOM 485 CB GLN A 35 6.869 3.256 -4.739 1.00 0.00 C ATOM 486 CG GLN A 35 7.481 3.366 -6.126 1.00 0.00 C ATOM 487 CD GLN A 35 8.996 3.320 -6.101 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.628 4.460 -6.357 1.00 0.00 O flip ATOM 489 NE2 GLN A 35 9.593 2.272 -5.854 1.00 0.00 N flip ATOM 0 H GLN A 35 6.053 3.445 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 35 7.630 5.103 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.511 2.634 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.908 2.747 -4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.107 2.554 -6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.157 4.298 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.068 1.419 -5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.613 2.257 -5.840 1.00 0.00 H new ATOM 498 N GLN A 36 4.453 5.284 -4.781 1.00 0.00 N ATOM 499 CA GLN A 36 3.482 6.064 -5.541 1.00 0.00 C ATOM 500 C GLN A 36 3.590 7.547 -5.202 1.00 0.00 C ATOM 501 O GLN A 36 3.511 8.402 -6.085 1.00 0.00 O ATOM 502 CB GLN A 36 2.064 5.565 -5.258 1.00 0.00 C ATOM 503 CG GLN A 36 1.648 4.388 -6.125 1.00 0.00 C ATOM 504 CD GLN A 36 0.153 4.141 -6.096 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.593 4.680 -6.915 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.294 3.323 -5.150 1.00 0.00 N ATOM 0 H GLN A 36 4.042 4.583 -4.165 1.00 0.00 H new ATOM 0 HA GLN A 36 3.700 5.937 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.992 5.276 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.362 6.385 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.962 4.570 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.167 3.491 -5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.360 2.898 -4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.291 3.119 -5.081 1.00 0.00 H new ATOM 515 N ILE A 37 3.771 7.844 -3.920 1.00 0.00 N ATOM 516 CA ILE A 37 3.891 9.224 -3.466 1.00 0.00 C ATOM 517 C ILE A 37 5.193 9.852 -3.951 1.00 0.00 C ATOM 518 O ILE A 37 5.253 11.052 -4.217 1.00 0.00 O ATOM 519 CB ILE A 37 3.829 9.319 -1.930 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.424 8.974 -1.432 1.00 0.00 C ATOM 521 CG2 ILE A 37 4.234 10.711 -1.469 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.375 8.620 0.038 1.00 0.00 C ATOM 0 H ILE A 37 3.838 7.148 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 37 3.048 9.769 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 37 4.530 8.599 -1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.764 9.822 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.037 8.137 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.185 10.763 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.252 10.921 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.555 11.448 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.349 8.387 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.009 7.753 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.732 9.464 0.628 1.00 0.00 H new ATOM 534 N GLU A 38 6.232 9.031 -4.066 1.00 0.00 N ATOM 535 CA GLU A 38 7.534 9.507 -4.521 1.00 0.00 C ATOM 536 C GLU A 38 7.498 9.851 -6.007 1.00 0.00 C ATOM 537 O GLU A 38 8.308 10.641 -6.492 1.00 0.00 O ATOM 538 CB GLU A 38 8.608 8.450 -4.257 1.00 0.00 C ATOM 539 CG GLU A 38 9.985 8.841 -4.767 1.00 0.00 C ATOM 540 CD GLU A 38 10.948 7.670 -4.804 1.00 0.00 C ATOM 541 OE1 GLU A 38 10.731 6.748 -5.617 1.00 0.00 O ATOM 542 OE2 GLU A 38 11.919 7.677 -4.018 1.00 0.00 O ATOM 0 H GLU A 38 6.198 8.035 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 38 7.778 10.411 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.666 8.263 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.308 7.514 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.892 9.261 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.396 9.624 -4.130 1.00 0.00 H new ATOM 549 N ASP A 39 6.554 9.251 -6.725 1.00 0.00 N ATOM 550 CA ASP A 39 6.412 9.494 -8.156 1.00 0.00 C ATOM 551 C ASP A 39 5.396 10.601 -8.421 1.00 0.00 C ATOM 552 O ASP A 39 5.392 11.208 -9.491 1.00 0.00 O ATOM 553 CB ASP A 39 5.986 8.211 -8.872 1.00 0.00 C ATOM 554 CG ASP A 39 7.155 7.287 -9.148 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.826 7.472 -10.184 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.399 6.377 -8.327 1.00 0.00 O ATOM 0 H ASP A 39 5.876 8.593 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 39 7.379 9.814 -8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.248 7.687 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.500 8.468 -9.813 1.00 0.00 H new ATOM 561 N GLN A 40 4.537 10.856 -7.439 1.00 0.00 N ATOM 562 CA GLN A 40 3.515 11.888 -7.568 1.00 0.00 C ATOM 563 C GLN A 40 4.029 13.230 -7.056 1.00 0.00 C ATOM 564 O GLN A 40 3.924 14.247 -7.741 1.00 0.00 O ATOM 565 CB GLN A 40 2.254 11.486 -6.802 1.00 0.00 C ATOM 566 CG GLN A 40 1.485 10.346 -7.450 1.00 0.00 C ATOM 567 CD GLN A 40 0.451 10.832 -8.446 1.00 0.00 C ATOM 568 OE1 GLN A 40 0.390 12.019 -8.767 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.371 9.914 -8.942 1.00 0.00 N ATOM 0 H GLN A 40 4.529 10.363 -6.546 1.00 0.00 H new ATOM 0 HA GLN A 40 3.271 11.992 -8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.532 11.196 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.599 12.353 -6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.186 9.681 -7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.991 9.760 -6.675 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.285 8.941 -8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.088 10.182 -9.616 1.00 0.00 H new ATOM 578 N GLN A 41 4.585 13.223 -5.849 1.00 0.00 N ATOM 579 CA GLN A 41 5.114 14.441 -5.246 1.00 0.00 C ATOM 580 C GLN A 41 6.591 14.618 -5.584 1.00 0.00 C ATOM 581 O GLN A 41 7.045 15.727 -5.864 1.00 0.00 O ATOM 582 CB GLN A 41 4.927 14.406 -3.728 1.00 0.00 C ATOM 583 CG GLN A 41 3.523 14.014 -3.297 1.00 0.00 C ATOM 584 CD GLN A 41 2.603 15.210 -3.148 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.028 15.691 -4.125 1.00 0.00 O ATOM 586 NE2 GLN A 41 2.460 15.698 -1.922 1.00 0.00 N ATOM 0 H GLN A 41 4.681 12.389 -5.270 1.00 0.00 H new ATOM 0 HA GLN A 41 4.562 15.288 -5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.640 13.702 -3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.163 15.388 -3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.101 13.325 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.574 13.479 -2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.956 15.268 -1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.855 16.503 -1.761 1.00 0.00 H new ATOM 595 N GLY A 42 7.336 13.517 -5.555 1.00 0.00 N ATOM 596 CA GLY A 42 8.754 13.573 -5.860 1.00 0.00 C ATOM 597 C GLY A 42 9.619 13.257 -4.657 1.00 0.00 C ATOM 598 O GLY A 42 10.790 12.903 -4.800 1.00 0.00 O ATOM 0 H GLY A 42 6.983 12.588 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.978 12.868 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.003 14.567 -6.232 1.00 0.00 H new ATOM 602 N LEU A 43 9.043 13.385 -3.466 1.00 0.00 N ATOM 603 CA LEU A 43 9.770 13.112 -2.231 1.00 0.00 C ATOM 604 C LEU A 43 10.129 11.633 -2.127 1.00 0.00 C ATOM 605 O LEU A 43 9.326 10.751 -2.431 1.00 0.00 O ATOM 606 CB LEU A 43 8.934 13.532 -1.021 1.00 0.00 C ATOM 607 CG LEU A 43 9.718 13.998 0.207 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.913 15.017 0.998 1.00 0.00 C ATOM 609 CD2 LEU A 43 10.089 12.812 1.084 1.00 0.00 C ATOM 0 H LEU A 43 8.075 13.676 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 43 10.693 13.691 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.266 14.337 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.306 12.690 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 43 10.638 14.475 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.486 15.337 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.698 15.880 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.977 14.565 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.646 13.162 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.182 12.306 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.705 12.117 0.514 1.00 0.00 H new ATOM 621 N PRO A 44 11.364 11.354 -1.685 1.00 0.00 N ATOM 622 CA PRO A 44 11.857 9.982 -1.527 1.00 0.00 C ATOM 623 C PRO A 44 11.175 9.250 -0.378 1.00 0.00 C ATOM 624 O PRO A 44 10.473 9.858 0.431 1.00 0.00 O ATOM 625 CB PRO A 44 13.347 10.173 -1.230 1.00 0.00 C ATOM 626 CG PRO A 44 13.443 11.536 -0.636 1.00 0.00 C ATOM 627 CD PRO A 44 12.375 12.356 -1.305 1.00 0.00 C ATOM 0 HA PRO A 44 11.658 9.373 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.714 9.413 -0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.945 10.094 -2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.291 11.503 0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.430 11.967 -0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.963 13.107 -0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.762 12.887 -2.175 1.00 0.00 H new ATOM 635 N LYS A 45 11.384 7.939 -0.310 1.00 0.00 N ATOM 636 CA LYS A 45 10.791 7.122 0.742 1.00 0.00 C ATOM 637 C LYS A 45 11.633 7.175 2.012 1.00 0.00 C ATOM 638 O LYS A 45 11.115 7.022 3.119 1.00 0.00 O ATOM 639 CB LYS A 45 10.649 5.673 0.271 1.00 0.00 C ATOM 640 CG LYS A 45 10.065 5.541 -1.125 1.00 0.00 C ATOM 641 CD LYS A 45 10.359 4.176 -1.725 1.00 0.00 C ATOM 642 CE LYS A 45 11.767 4.111 -2.297 1.00 0.00 C ATOM 643 NZ LYS A 45 11.812 4.564 -3.714 1.00 0.00 N ATOM 0 H LYS A 45 11.960 7.420 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 45 9.803 7.523 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.629 5.195 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.015 5.132 0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.987 5.698 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.477 6.319 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.240 3.408 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.635 3.959 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.432 4.732 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.139 3.089 -2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.532 4.019 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.882 4.415 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.054 5.575 -3.748 1.00 0.00 H new ATOM 657 N LYS A 46 12.932 7.395 1.847 1.00 0.00 N ATOM 658 CA LYS A 46 13.846 7.472 2.980 1.00 0.00 C ATOM 659 C LYS A 46 13.621 8.754 3.775 1.00 0.00 C ATOM 660 O LYS A 46 14.273 8.985 4.793 1.00 0.00 O ATOM 661 CB LYS A 46 15.297 7.407 2.497 1.00 0.00 C ATOM 662 CG LYS A 46 15.723 8.619 1.687 1.00 0.00 C ATOM 663 CD LYS A 46 17.020 8.362 0.938 1.00 0.00 C ATOM 664 CE LYS A 46 17.644 9.658 0.444 1.00 0.00 C ATOM 665 NZ LYS A 46 18.696 9.411 -0.582 1.00 0.00 N ATOM 0 H LYS A 46 13.377 7.523 0.938 1.00 0.00 H new ATOM 0 HA LYS A 46 13.648 6.621 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.955 7.308 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.430 6.511 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.937 8.878 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.848 9.475 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.722 7.845 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.828 7.703 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.868 10.297 0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.078 10.197 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.097 10.319 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.449 8.822 -0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.277 8.920 -1.397 1.00 0.00 H new ATOM 679 N GLN A 47 12.694 9.581 3.304 1.00 0.00 N ATOM 680 CA GLN A 47 12.383 10.839 3.973 1.00 0.00 C ATOM 681 C GLN A 47 10.946 10.843 4.484 1.00 0.00 C ATOM 682 O GLN A 47 10.678 11.272 5.606 1.00 0.00 O ATOM 683 CB GLN A 47 12.601 12.016 3.020 1.00 0.00 C ATOM 684 CG GLN A 47 14.067 12.352 2.794 1.00 0.00 C ATOM 685 CD GLN A 47 14.624 13.275 3.859 1.00 0.00 C ATOM 686 OE1 GLN A 47 14.237 14.440 3.952 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.539 12.759 4.671 1.00 0.00 N ATOM 0 H GLN A 47 12.145 9.403 2.463 1.00 0.00 H new ATOM 0 HA GLN A 47 13.053 10.943 4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.137 11.787 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.093 12.894 3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.649 11.430 2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.182 12.820 1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.831 11.788 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.950 13.333 5.407 1.00 0.00 H new ATOM 696 N GLN A 48 10.026 10.364 3.653 1.00 0.00 N ATOM 697 CA GLN A 48 8.616 10.314 4.021 1.00 0.00 C ATOM 698 C GLN A 48 8.352 9.184 5.009 1.00 0.00 C ATOM 699 O GLN A 48 8.744 8.040 4.778 1.00 0.00 O ATOM 700 CB GLN A 48 7.748 10.132 2.774 1.00 0.00 C ATOM 701 CG GLN A 48 7.489 8.676 2.421 1.00 0.00 C ATOM 702 CD GLN A 48 6.631 8.520 1.182 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.464 8.135 1.265 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.204 8.820 0.022 1.00 0.00 N ATOM 0 H GLN A 48 10.232 10.005 2.721 1.00 0.00 H new ATOM 0 HA GLN A 48 8.357 11.258 4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.794 10.635 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.233 10.621 1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.441 8.169 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.000 8.184 3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.174 9.135 -0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.674 8.735 -0.846 1.00 0.00 H new ATOM 713 N GLN A 49 7.684 9.511 6.111 1.00 0.00 N ATOM 714 CA GLN A 49 7.369 8.523 7.135 1.00 0.00 C ATOM 715 C GLN A 49 5.878 8.528 7.456 1.00 0.00 C ATOM 716 O GLN A 49 5.329 9.541 7.891 1.00 0.00 O ATOM 717 CB GLN A 49 8.176 8.797 8.405 1.00 0.00 C ATOM 718 CG GLN A 49 8.082 7.685 9.438 1.00 0.00 C ATOM 719 CD GLN A 49 9.149 7.792 10.509 1.00 0.00 C ATOM 720 OE1 GLN A 49 10.342 7.682 10.226 1.00 0.00 O ATOM 721 NE2 GLN A 49 8.725 8.008 11.749 1.00 0.00 N ATOM 0 H GLN A 49 7.351 10.453 6.317 1.00 0.00 H new ATOM 0 HA GLN A 49 7.636 7.540 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.222 8.944 8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.828 9.728 8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.098 7.712 9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.170 6.721 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.726 8.093 11.939 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.398 8.089 12.511 1.00 0.00 H new ATOM 730 N LEU A 50 5.227 7.391 7.238 1.00 0.00 N ATOM 731 CA LEU A 50 3.798 7.264 7.503 1.00 0.00 C ATOM 732 C LEU A 50 3.551 6.518 8.811 1.00 0.00 C ATOM 733 O LEU A 50 4.097 5.438 9.032 1.00 0.00 O ATOM 734 CB LEU A 50 3.107 6.535 6.349 1.00 0.00 C ATOM 735 CG LEU A 50 3.173 7.224 4.985 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.846 6.239 3.874 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.225 8.413 4.942 1.00 0.00 C ATOM 0 H LEU A 50 5.666 6.543 6.878 1.00 0.00 H new ATOM 0 HA LEU A 50 3.380 8.267 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.550 5.543 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.059 6.392 6.611 1.00 0.00 H new ATOM 0 HG LEU A 50 4.189 7.589 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.898 6.747 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.564 5.419 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.841 5.844 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.285 8.891 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.205 8.071 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.505 9.130 5.714 1.00 0.00 H new ATOM 749 N GLU A 51 2.724 7.102 9.672 1.00 0.00 N ATOM 750 CA GLU A 51 2.404 6.491 10.957 1.00 0.00 C ATOM 751 C GLU A 51 0.910 6.199 11.064 1.00 0.00 C ATOM 752 O GLU A 51 0.106 6.727 10.295 1.00 0.00 O ATOM 753 CB GLU A 51 2.839 7.406 12.104 1.00 0.00 C ATOM 754 CG GLU A 51 4.341 7.422 12.332 1.00 0.00 C ATOM 755 CD GLU A 51 4.759 8.418 13.397 1.00 0.00 C ATOM 756 OE1 GLU A 51 3.932 8.718 14.284 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.911 8.897 13.344 1.00 0.00 O ATOM 0 H GLU A 51 2.264 7.997 9.504 1.00 0.00 H new ATOM 0 HA GLU A 51 2.947 5.548 11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.500 8.421 11.896 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.344 7.086 13.021 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.671 6.425 12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.844 7.664 11.396 1.00 0.00 H new ATOM 764 N PHE A 52 0.545 5.354 12.023 1.00 0.00 N ATOM 765 CA PHE A 52 -0.852 4.990 12.230 1.00 0.00 C ATOM 766 C PHE A 52 -1.120 4.677 13.699 1.00 0.00 C ATOM 767 O PHE A 52 -0.448 3.837 14.297 1.00 0.00 O ATOM 768 CB PHE A 52 -1.220 3.784 11.364 1.00 0.00 C ATOM 769 CG PHE A 52 -2.701 3.567 11.238 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.540 4.612 10.885 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.254 2.318 11.470 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.903 4.415 10.769 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.617 2.115 11.355 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.442 3.165 11.002 1.00 0.00 C ATOM 0 H PHE A 52 1.197 4.909 12.669 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.470 5.839 11.939 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.794 3.917 10.369 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.764 2.889 11.788 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.124 5.591 10.698 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.613 1.493 11.744 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.546 5.238 10.496 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.036 1.137 11.541 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.507 3.009 10.908 1.00 0.00 H new ATOM 784 N GLN A 53 -2.105 5.360 14.273 1.00 0.00 N ATOM 785 CA GLN A 53 -2.461 5.156 15.673 1.00 0.00 C ATOM 786 C GLN A 53 -1.241 5.318 16.574 1.00 0.00 C ATOM 787 O GLN A 53 -1.177 4.742 17.659 1.00 0.00 O ATOM 788 CB GLN A 53 -3.073 3.768 15.868 1.00 0.00 C ATOM 789 CG GLN A 53 -4.477 3.637 15.299 1.00 0.00 C ATOM 790 CD GLN A 53 -5.206 2.415 15.821 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.458 2.292 17.020 1.00 0.00 O ATOM 792 NE2 GLN A 53 -5.550 1.501 14.920 1.00 0.00 N ATOM 0 H GLN A 53 -2.671 6.059 13.791 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.196 5.912 15.949 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.428 3.026 15.397 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.099 3.538 16.933 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.050 4.531 15.546 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.421 3.585 14.212 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.321 1.643 13.936 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.043 0.657 15.212 1.00 0.00 H new ATOM 801 N GLY A 54 -0.273 6.107 16.116 1.00 0.00 N ATOM 802 CA GLY A 54 0.932 6.330 16.893 1.00 0.00 C ATOM 803 C GLY A 54 1.911 5.178 16.788 1.00 0.00 C ATOM 804 O GLY A 54 2.494 4.757 17.787 1.00 0.00 O ATOM 0 H GLY A 54 -0.302 6.595 15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.416 7.246 16.553 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.664 6.481 17.939 1.00 0.00 H new ATOM 808 N GLN A 55 2.091 4.665 15.575 1.00 0.00 N ATOM 809 CA GLN A 55 3.005 3.552 15.344 1.00 0.00 C ATOM 810 C GLN A 55 3.766 3.736 14.035 1.00 0.00 C ATOM 811 O GLN A 55 3.205 4.187 13.036 1.00 0.00 O ATOM 812 CB GLN A 55 2.237 2.230 15.320 1.00 0.00 C ATOM 813 CG GLN A 55 1.745 1.837 13.936 1.00 0.00 C ATOM 814 CD GLN A 55 0.615 0.827 13.982 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.029 0.541 12.826 1.00 0.00 O flip ATOM 816 NE2 GLN A 55 0.273 0.310 15.046 1.00 0.00 N flip ATOM 0 H GLN A 55 1.616 5.002 14.737 1.00 0.00 H new ATOM 0 HA GLN A 55 3.725 3.530 16.162 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.880 1.439 15.706 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.383 2.303 15.993 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.408 2.729 13.408 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.575 1.422 13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.752 0.560 15.911 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.489 -0.368 15.062 1.00 0.00 H new ATOM 825 N VAL A 56 5.048 3.383 14.047 1.00 0.00 N ATOM 826 CA VAL A 56 5.886 3.508 12.861 1.00 0.00 C ATOM 827 C VAL A 56 5.726 2.300 11.944 1.00 0.00 C ATOM 828 O VAL A 56 6.100 1.182 12.301 1.00 0.00 O ATOM 829 CB VAL A 56 7.372 3.659 13.237 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.217 3.894 11.994 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.556 4.790 14.238 1.00 0.00 C ATOM 0 H VAL A 56 5.528 3.008 14.865 1.00 0.00 H new ATOM 0 HA VAL A 56 5.558 4.405 12.336 1.00 0.00 H new ATOM 0 HB VAL A 56 7.706 2.733 13.704 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.264 3.998 12.280 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.109 3.048 11.315 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.885 4.804 11.495 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.612 4.882 14.492 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.205 5.724 13.800 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.983 4.575 15.140 1.00 0.00 H new ATOM 841 N LEU A 57 5.167 2.532 10.762 1.00 0.00 N ATOM 842 CA LEU A 57 4.957 1.463 9.792 1.00 0.00 C ATOM 843 C LEU A 57 6.238 1.171 9.016 1.00 0.00 C ATOM 844 O LEU A 57 6.948 2.089 8.607 1.00 0.00 O ATOM 845 CB LEU A 57 3.835 1.839 8.823 1.00 0.00 C ATOM 846 CG LEU A 57 2.532 2.324 9.461 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.616 2.929 8.409 1.00 0.00 C ATOM 848 CD2 LEU A 57 1.835 1.182 10.185 1.00 0.00 C ATOM 0 H LEU A 57 4.851 3.451 10.452 1.00 0.00 H new ATOM 0 HA LEU A 57 4.671 0.563 10.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.203 2.620 8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.612 0.971 8.203 1.00 0.00 H new ATOM 0 HG LEU A 57 2.773 3.097 10.191 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.694 3.268 8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.114 3.775 7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.382 2.178 7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.910 1.546 10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.607 0.387 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.488 0.794 10.967 1.00 0.00 H new ATOM 860 N GLN A 58 6.524 -0.111 8.817 1.00 0.00 N ATOM 861 CA GLN A 58 7.718 -0.522 8.088 1.00 0.00 C ATOM 862 C GLN A 58 7.441 -0.604 6.591 1.00 0.00 C ATOM 863 O GLN A 58 6.302 -0.808 6.171 1.00 0.00 O ATOM 864 CB GLN A 58 8.214 -1.875 8.602 1.00 0.00 C ATOM 865 CG GLN A 58 8.341 -1.942 10.116 1.00 0.00 C ATOM 866 CD GLN A 58 9.248 -0.863 10.674 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.447 -0.838 10.394 1.00 0.00 O ATOM 868 NE2 GLN A 58 8.679 0.036 11.468 1.00 0.00 N ATOM 0 H GLN A 58 5.946 -0.883 9.150 1.00 0.00 H new ATOM 0 HA GLN A 58 8.491 0.228 8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.529 -2.654 8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.184 -2.091 8.155 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.352 -1.847 10.564 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.728 -2.920 10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.682 -0.023 11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.239 0.786 11.873 1.00 0.00 H new ATOM 877 N ASP A 59 8.490 -0.444 5.791 1.00 0.00 N ATOM 878 CA ASP A 59 8.360 -0.500 4.340 1.00 0.00 C ATOM 879 C ASP A 59 8.265 -1.945 3.858 1.00 0.00 C ATOM 880 O ASP A 59 7.506 -2.255 2.940 1.00 0.00 O ATOM 881 CB ASP A 59 9.547 0.195 3.672 1.00 0.00 C ATOM 882 CG ASP A 59 10.097 1.333 4.510 1.00 0.00 C ATOM 883 OD1 ASP A 59 10.726 1.052 5.552 1.00 0.00 O ATOM 884 OD2 ASP A 59 9.898 2.504 4.125 1.00 0.00 O ATOM 0 H ASP A 59 9.439 -0.275 6.123 1.00 0.00 H new ATOM 0 HA ASP A 59 7.442 0.019 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.337 -0.534 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.239 0.579 2.699 1.00 0.00 H new ATOM 889 N TRP A 60 9.040 -2.823 4.484 1.00 0.00 N ATOM 890 CA TRP A 60 9.043 -4.235 4.118 1.00 0.00 C ATOM 891 C TRP A 60 7.758 -4.919 4.573 1.00 0.00 C ATOM 892 O TRP A 60 7.289 -5.865 3.939 1.00 0.00 O ATOM 893 CB TRP A 60 10.254 -4.939 4.733 1.00 0.00 C ATOM 894 CG TRP A 60 9.983 -5.510 6.092 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.393 -6.709 6.374 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.290 -4.905 7.352 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.315 -6.886 7.735 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.859 -5.794 8.357 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.889 -3.701 7.731 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.008 -5.513 9.713 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.035 -3.423 9.076 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.597 -4.326 10.054 1.00 0.00 C ATOM 0 H TRP A 60 9.674 -2.583 5.246 1.00 0.00 H new ATOM 0 HA TRP A 60 9.104 -4.303 3.032 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.576 -5.740 4.068 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.080 -4.231 4.802 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.040 -7.414 5.636 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.917 -7.699 8.205 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.232 -3.000 6.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.671 -6.207 10.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.495 -2.494 9.379 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.727 -4.080 11.098 1.00 0.00 H new ATOM 913 N LEU A 61 7.193 -4.434 5.673 1.00 0.00 N ATOM 914 CA LEU A 61 5.960 -4.999 6.211 1.00 0.00 C ATOM 915 C LEU A 61 4.797 -4.786 5.248 1.00 0.00 C ATOM 916 O LEU A 61 4.866 -3.947 4.351 1.00 0.00 O ATOM 917 CB LEU A 61 5.636 -4.367 7.566 1.00 0.00 C ATOM 918 CG LEU A 61 6.487 -4.837 8.747 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.101 -4.090 10.014 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.341 -6.339 8.945 1.00 0.00 C ATOM 0 H LEU A 61 7.568 -3.652 6.209 1.00 0.00 H new ATOM 0 HA LEU A 61 6.108 -6.071 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.742 -3.286 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.589 -4.566 7.796 1.00 0.00 H new ATOM 0 HG LEU A 61 7.532 -4.620 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.717 -4.438 10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.258 -3.021 9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.051 -4.275 10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.953 -6.656 9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.297 -6.580 9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.668 -6.858 8.044 1.00 0.00 H new ATOM 932 N GLY A 62 3.727 -5.552 5.441 1.00 0.00 N ATOM 933 CA GLY A 62 2.564 -5.431 4.583 1.00 0.00 C ATOM 934 C GLY A 62 1.501 -4.524 5.171 1.00 0.00 C ATOM 935 O GLY A 62 1.605 -4.100 6.323 1.00 0.00 O ATOM 0 H GLY A 62 3.646 -6.254 6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.872 -5.043 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.139 -6.420 4.411 1.00 0.00 H new ATOM 939 N LEU A 63 0.478 -4.224 4.379 1.00 0.00 N ATOM 940 CA LEU A 63 -0.608 -3.359 4.828 1.00 0.00 C ATOM 941 C LEU A 63 -1.470 -4.063 5.870 1.00 0.00 C ATOM 942 O LEU A 63 -1.735 -3.519 6.942 1.00 0.00 O ATOM 943 CB LEU A 63 -1.471 -2.933 3.639 1.00 0.00 C ATOM 944 CG LEU A 63 -0.947 -1.756 2.816 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.082 -2.229 1.802 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.095 -1.039 2.119 1.00 0.00 C ATOM 0 H LEU A 63 0.377 -4.566 3.423 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.168 -2.473 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.589 -3.790 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.464 -2.678 4.009 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.463 -1.052 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.443 -1.377 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.918 -2.696 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.377 -2.954 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.703 -0.204 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.608 -1.734 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.796 -0.665 2.865 1.00 0.00 H new ATOM 958 N GLY A 64 -1.904 -5.278 5.549 1.00 0.00 N ATOM 959 CA GLY A 64 -2.730 -6.038 6.469 1.00 0.00 C ATOM 960 C GLY A 64 -1.983 -6.432 7.728 1.00 0.00 C ATOM 961 O GLY A 64 -2.587 -6.603 8.788 1.00 0.00 O ATOM 0 H GLY A 64 -1.698 -5.750 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.605 -5.447 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.093 -6.936 5.969 1.00 0.00 H new ATOM 965 N ILE A 65 -0.668 -6.579 7.612 1.00 0.00 N ATOM 966 CA ILE A 65 0.161 -6.956 8.750 1.00 0.00 C ATOM 967 C ILE A 65 -0.195 -6.137 9.986 1.00 0.00 C ATOM 968 O ILE A 65 -0.208 -6.653 11.103 1.00 0.00 O ATOM 969 CB ILE A 65 1.659 -6.774 8.441 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.129 -7.836 7.445 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.477 -6.842 9.722 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.767 -9.247 7.850 1.00 0.00 C ATOM 0 H ILE A 65 -0.154 -6.443 6.742 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.035 -8.010 8.947 1.00 0.00 H new ATOM 0 HB ILE A 65 1.805 -5.792 7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.694 -7.624 6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.211 -7.765 7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.533 -6.712 9.487 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.156 -6.052 10.401 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.328 -7.811 10.198 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.132 -9.946 7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.224 -9.478 8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.684 -9.335 7.933 1.00 0.00 H new ATOM 984 N TYR A 66 -0.484 -4.857 9.777 1.00 0.00 N ATOM 985 CA TYR A 66 -0.840 -3.965 10.874 1.00 0.00 C ATOM 986 C TYR A 66 -2.341 -4.005 11.143 1.00 0.00 C ATOM 987 O TYR A 66 -2.777 -4.013 12.294 1.00 0.00 O ATOM 988 CB TYR A 66 -0.406 -2.533 10.556 1.00 0.00 C ATOM 989 CG TYR A 66 1.060 -2.272 10.820 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.538 -2.131 12.117 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.967 -2.168 9.773 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.876 -1.892 12.363 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.307 -1.930 10.010 1.00 0.00 C ATOM 994 CZ TYR A 66 3.757 -1.792 11.306 1.00 0.00 C ATOM 995 OH TYR A 66 5.091 -1.556 11.547 1.00 0.00 O ATOM 0 H TYR A 66 -0.479 -4.414 8.858 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.319 -4.305 11.769 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.621 -2.321 9.509 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.002 -1.841 11.150 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.852 -2.210 12.947 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.619 -2.275 8.756 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.231 -1.784 13.377 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.999 -1.852 9.184 1.00 0.00 H new ATOM 0 HH TYR A 66 5.458 -2.281 12.095 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.128 -4.030 10.072 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.572 -4.070 10.212 1.00 0.00 C ATOM 1007 C GLY A 67 -5.243 -2.830 9.656 1.00 0.00 C ATOM 1008 O GLY A 67 -6.263 -2.381 10.179 1.00 0.00 O ATOM 0 H GLY A 67 -2.791 -4.023 9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.959 -4.950 9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.829 -4.177 11.266 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.668 -2.274 8.595 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.217 -1.077 7.969 1.00 0.00 C ATOM 1014 C ILE A 68 -6.465 -1.405 7.157 1.00 0.00 C ATOM 1015 O ILE A 68 -6.542 -2.453 6.515 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.184 -0.399 7.049 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.006 0.128 7.871 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.835 0.729 6.263 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.735 0.294 7.067 1.00 0.00 C ATOM 0 H ILE A 68 -3.823 -2.633 8.151 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.480 -0.392 8.775 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.808 -1.138 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.279 1.089 8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.816 -0.555 8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.093 1.198 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.644 0.328 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.235 1.470 6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.942 0.671 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.438 -0.669 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.908 1.000 6.255 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.440 -0.502 7.190 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.685 -0.696 6.456 1.00 0.00 C ATOM 1033 C GLN A 69 -8.855 0.373 5.381 1.00 0.00 C ATOM 1034 O GLN A 69 -8.001 1.244 5.217 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.877 -0.666 7.414 1.00 0.00 C ATOM 1036 CG GLN A 69 -10.125 0.699 8.034 1.00 0.00 C ATOM 1037 CD GLN A 69 -9.021 1.118 8.985 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -8.251 2.035 8.695 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -8.936 0.448 10.127 1.00 0.00 N ATOM 0 H GLN A 69 -7.392 0.370 7.717 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.643 -1.671 5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.772 -0.980 6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.711 -1.392 8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.218 1.442 7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.074 0.683 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.595 -0.305 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.212 0.686 10.805 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.963 0.300 4.652 1.00 0.00 N ATOM 1049 CA ASP A 70 -10.246 1.262 3.593 1.00 0.00 C ATOM 1050 C ASP A 70 -10.824 2.551 4.169 1.00 0.00 C ATOM 1051 O ASP A 70 -11.487 2.536 5.206 1.00 0.00 O ATOM 1052 CB ASP A 70 -11.218 0.663 2.576 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.615 0.494 3.141 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.735 0.195 4.347 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.589 0.661 2.376 1.00 0.00 O ATOM 0 H ASP A 70 -10.680 -0.415 4.775 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.308 1.498 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.260 1.305 1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.843 -0.306 2.246 1.00 0.00 H new ATOM 1060 N SER A 71 -10.566 3.665 3.491 1.00 0.00 N ATOM 1061 CA SER A 71 -11.056 4.963 3.939 1.00 0.00 C ATOM 1062 C SER A 71 -10.285 5.442 5.165 1.00 0.00 C ATOM 1063 O SER A 71 -10.815 6.178 5.997 1.00 0.00 O ATOM 1064 CB SER A 71 -12.550 4.885 4.260 1.00 0.00 C ATOM 1065 OG SER A 71 -13.228 4.053 3.334 1.00 0.00 O ATOM 0 H SER A 71 -10.021 3.694 2.630 1.00 0.00 H new ATOM 0 HA SER A 71 -10.902 5.680 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.688 4.499 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.982 5.885 4.239 1.00 0.00 H new ATOM 0 HG SER A 71 -14.181 4.018 3.562 1.00 0.00 H new ATOM 1071 N ASP A 72 -9.030 5.018 5.269 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.184 5.403 6.393 1.00 0.00 C ATOM 1073 C ASP A 72 -7.441 6.701 6.093 1.00 0.00 C ATOM 1074 O ASP A 72 -7.549 7.253 4.998 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.184 4.290 6.711 1.00 0.00 C ATOM 1076 CG ASP A 72 -5.957 4.343 5.823 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.119 4.315 4.586 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -4.834 4.412 6.366 1.00 0.00 O ATOM 0 H ASP A 72 -8.576 4.408 4.589 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.824 5.564 7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.878 4.368 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.672 3.323 6.594 1.00 0.00 H new ATOM 1083 N THR A 73 -6.686 7.185 7.075 1.00 0.00 N ATOM 1084 CA THR A 73 -5.927 8.419 6.918 1.00 0.00 C ATOM 1085 C THR A 73 -4.505 8.261 7.445 1.00 0.00 C ATOM 1086 O THR A 73 -4.291 8.127 8.651 1.00 0.00 O ATOM 1087 CB THR A 73 -6.605 9.593 7.648 1.00 0.00 C ATOM 1088 OG1 THR A 73 -7.946 9.756 7.173 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.827 10.884 7.437 1.00 0.00 C ATOM 0 H THR A 73 -6.584 6.741 7.987 1.00 0.00 H new ATOM 0 HA THR A 73 -5.894 8.635 5.850 1.00 0.00 H new ATOM 0 HB THR A 73 -6.622 9.368 8.714 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.371 10.504 7.643 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.325 11.699 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.815 10.767 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.782 11.112 6.372 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.537 8.278 6.536 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.134 8.137 6.910 1.00 0.00 C ATOM 1099 C LEU A 74 -1.438 9.494 6.937 1.00 0.00 C ATOM 1100 O LEU A 74 -1.473 10.240 5.957 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.416 7.203 5.934 1.00 0.00 C ATOM 1102 CG LEU A 74 -1.996 5.793 5.806 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.543 5.147 4.505 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -1.590 4.939 6.998 1.00 0.00 C ATOM 0 H LEU A 74 -3.698 8.388 5.535 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.093 7.708 7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.420 7.667 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.374 7.119 6.242 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.083 5.867 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.965 4.145 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.884 5.748 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.455 5.085 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.011 3.940 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.503 4.871 7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.964 5.393 7.915 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.806 9.807 8.063 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.100 11.073 8.215 1.00 0.00 C ATOM 1118 C ILE A 75 1.266 11.025 7.538 1.00 0.00 C ATOM 1119 O ILE A 75 2.013 10.058 7.691 1.00 0.00 O ATOM 1120 CB ILE A 75 0.088 11.438 9.700 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.269 11.526 10.401 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.844 12.752 9.830 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.146 12.645 9.883 1.00 0.00 C ATOM 0 H ILE A 75 -0.768 9.202 8.883 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.714 11.836 7.737 1.00 0.00 H new ATOM 0 HB ILE A 75 0.674 10.655 10.181 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.794 10.578 10.279 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.108 11.667 11.470 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.969 12.997 10.885 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.823 12.656 9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.282 13.545 9.338 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.091 12.647 10.425 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.642 13.600 10.029 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.338 12.495 8.821 1.00 0.00 H new ATOM 1135 N LEU A 76 1.587 12.076 6.792 1.00 0.00 N ATOM 1136 CA LEU A 76 2.865 12.156 6.093 1.00 0.00 C ATOM 1137 C LEU A 76 3.783 13.180 6.752 1.00 0.00 C ATOM 1138 O LEU A 76 3.421 14.347 6.904 1.00 0.00 O ATOM 1139 CB LEU A 76 2.643 12.524 4.624 1.00 0.00 C ATOM 1140 CG LEU A 76 3.903 12.799 3.804 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.497 11.499 3.284 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.593 13.744 2.651 1.00 0.00 C ATOM 0 H LEU A 76 0.980 12.884 6.655 1.00 0.00 H new ATOM 0 HA LEU A 76 3.343 11.178 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.092 11.714 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.007 13.408 4.584 1.00 0.00 H new ATOM 0 HG LEU A 76 4.638 13.276 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.393 11.715 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.756 10.856 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.768 10.993 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.501 13.929 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.841 13.293 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.215 14.687 3.045 1.00 0.00 H new ATOM 1154 N SER A 77 4.975 12.736 7.139 1.00 0.00 N ATOM 1155 CA SER A 77 5.945 13.613 7.783 1.00 0.00 C ATOM 1156 C SER A 77 7.369 13.228 7.393 1.00 0.00 C ATOM 1157 O SER A 77 7.752 12.060 7.470 1.00 0.00 O ATOM 1158 CB SER A 77 5.787 13.554 9.304 1.00 0.00 C ATOM 1159 OG SER A 77 4.464 13.880 9.692 1.00 0.00 O ATOM 0 H SER A 77 5.292 11.774 7.018 1.00 0.00 H new ATOM 0 HA SER A 77 5.757 14.632 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.038 12.555 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.488 14.245 9.773 1.00 0.00 H new ATOM 0 HG SER A 77 4.389 13.834 10.668 1.00 0.00 H new ATOM 1165 N LYS A 78 8.150 14.218 6.975 1.00 0.00 N ATOM 1166 CA LYS A 78 9.532 13.986 6.573 1.00 0.00 C ATOM 1167 C LYS A 78 10.407 13.683 7.785 1.00 0.00 C ATOM 1168 O LYS A 78 10.145 14.162 8.889 1.00 0.00 O ATOM 1169 CB LYS A 78 10.079 15.204 5.827 1.00 0.00 C ATOM 1170 CG LYS A 78 9.226 15.628 4.644 1.00 0.00 C ATOM 1171 CD LYS A 78 9.884 16.745 3.853 1.00 0.00 C ATOM 1172 CE LYS A 78 11.287 16.361 3.407 1.00 0.00 C ATOM 1173 NZ LYS A 78 11.827 17.313 2.397 1.00 0.00 N ATOM 0 H LYS A 78 7.849 15.190 6.906 1.00 0.00 H new ATOM 0 HA LYS A 78 9.551 13.122 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.161 16.039 6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.087 14.982 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.055 14.771 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.250 15.958 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.276 16.981 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.929 17.647 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.949 16.335 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.272 15.355 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.784 17.017 2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.209 17.319 1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.865 18.268 2.806 1.00 0.00 H new ATOM 1187 N LYS A 79 11.449 12.886 7.573 1.00 0.00 N ATOM 1188 CA LYS A 79 12.365 12.521 8.647 1.00 0.00 C ATOM 1189 C LYS A 79 13.212 13.717 9.069 1.00 0.00 C ATOM 1190 O LYS A 79 13.602 14.539 8.240 1.00 0.00 O ATOM 1191 CB LYS A 79 13.273 11.372 8.202 1.00 0.00 C ATOM 1192 CG LYS A 79 12.514 10.175 7.654 1.00 0.00 C ATOM 1193 CD LYS A 79 13.258 8.876 7.916 1.00 0.00 C ATOM 1194 CE LYS A 79 12.532 7.686 7.309 1.00 0.00 C ATOM 1195 NZ LYS A 79 12.947 6.402 7.939 1.00 0.00 N ATOM 0 H LYS A 79 11.680 12.480 6.666 1.00 0.00 H new ATOM 0 HA LYS A 79 11.772 12.198 9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.959 11.737 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.880 11.051 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.526 10.128 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.362 10.299 6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.263 8.941 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.367 8.728 8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.457 7.818 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.732 7.646 6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.429 5.615 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.969 6.263 7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.733 6.429 8.956 1.00 0.00 H new ATOM 1209 N LYS A 80 13.495 13.808 10.364 1.00 0.00 N ATOM 1210 CA LYS A 80 14.298 14.902 10.898 1.00 0.00 C ATOM 1211 C LYS A 80 15.740 14.807 10.409 1.00 0.00 C ATOM 1212 O LYS A 80 16.354 13.742 10.459 1.00 0.00 O ATOM 1213 CB LYS A 80 14.265 14.888 12.427 1.00 0.00 C ATOM 1214 CG LYS A 80 15.258 15.844 13.066 1.00 0.00 C ATOM 1215 CD LYS A 80 14.843 16.216 14.480 1.00 0.00 C ATOM 1216 CE LYS A 80 15.724 17.317 15.048 1.00 0.00 C ATOM 1217 NZ LYS A 80 14.996 18.155 16.041 1.00 0.00 N ATOM 0 H LYS A 80 13.180 13.136 11.064 1.00 0.00 H new ATOM 0 HA LYS A 80 13.872 15.840 10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.260 15.144 12.763 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.470 13.876 12.777 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.246 15.385 13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.337 16.746 12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.803 16.544 14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.900 15.336 15.121 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.600 16.873 15.521 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.085 17.948 14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.632 18.894 16.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.174 18.599 15.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.673 17.558 16.829 1.00 0.00 H new ATOM 1231 N GLY A 81 16.275 15.929 9.936 1.00 0.00 N ATOM 1232 CA GLY A 81 17.641 15.950 9.446 1.00 0.00 C ATOM 1233 C GLY A 81 17.788 15.254 8.108 1.00 0.00 C ATOM 1234 O GLY A 81 17.269 14.155 7.911 1.00 0.00 O ATOM 0 H GLY A 81 15.787 16.823 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.974 16.984 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.293 15.469 10.176 1.00 0.00 H new ATOM 1238 N SER A 82 18.496 15.896 7.183 1.00 0.00 N ATOM 1239 CA SER A 82 18.704 15.335 5.854 1.00 0.00 C ATOM 1240 C SER A 82 20.105 14.744 5.727 1.00 0.00 C ATOM 1241 O SER A 82 20.268 13.554 5.460 1.00 0.00 O ATOM 1242 CB SER A 82 18.493 16.408 4.785 1.00 0.00 C ATOM 1243 OG SER A 82 19.368 17.505 4.983 1.00 0.00 O ATOM 0 H SER A 82 18.935 16.805 7.330 1.00 0.00 H new ATOM 0 HA SER A 82 17.976 14.537 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.660 15.979 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.460 16.754 4.811 1.00 0.00 H new ATOM 0 HG SER A 82 19.214 18.176 4.286 1.00 0.00 H new ATOM 1249 N GLY A 83 21.116 15.586 5.922 1.00 0.00 N ATOM 1250 CA GLY A 83 22.490 15.131 5.826 1.00 0.00 C ATOM 1251 C GLY A 83 23.212 15.715 4.628 1.00 0.00 C ATOM 1252 O GLY A 83 22.827 16.753 4.090 1.00 0.00 O ATOM 0 H GLY A 83 21.007 16.575 6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 83 23.024 15.403 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.505 14.043 5.761 1.00 0.00 H new ATOM 1256 N PRO A 84 24.288 15.042 4.194 1.00 0.00 N ATOM 1257 CA PRO A 84 25.089 15.484 3.048 1.00 0.00 C ATOM 1258 C PRO A 84 24.342 15.336 1.727 1.00 0.00 C ATOM 1259 O PRO A 84 23.498 14.453 1.576 1.00 0.00 O ATOM 1260 CB PRO A 84 26.302 14.551 3.083 1.00 0.00 C ATOM 1261 CG PRO A 84 25.819 13.327 3.782 1.00 0.00 C ATOM 1262 CD PRO A 84 24.805 13.798 4.788 1.00 0.00 C ATOM 0 HA PRO A 84 25.345 16.542 3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.653 14.320 2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 84 27.137 15.007 3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 84 25.373 12.625 3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 84 26.642 12.807 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 84 24.013 13.063 4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 84 25.259 13.976 5.763 1.00 0.00 H new ATOM 1270 N SER A 85 24.657 16.206 0.773 1.00 0.00 N ATOM 1271 CA SER A 85 24.013 16.175 -0.534 1.00 0.00 C ATOM 1272 C SER A 85 24.481 14.967 -1.341 1.00 0.00 C ATOM 1273 O SER A 85 23.680 14.114 -1.724 1.00 0.00 O ATOM 1274 CB SER A 85 24.310 17.463 -1.304 1.00 0.00 C ATOM 1275 OG SER A 85 23.749 18.588 -0.652 1.00 0.00 O ATOM 0 H SER A 85 25.355 16.942 0.881 1.00 0.00 H new ATOM 0 HA SER A 85 22.937 16.093 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 85 25.388 17.594 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 85 23.909 17.387 -2.315 1.00 0.00 H new ATOM 0 HG SER A 85 23.954 19.398 -1.163 1.00 0.00 H new ATOM 1281 N SER A 86 25.784 14.902 -1.596 1.00 0.00 N ATOM 1282 CA SER A 86 26.359 13.801 -2.360 1.00 0.00 C ATOM 1283 C SER A 86 27.635 13.289 -1.699 1.00 0.00 C ATOM 1284 O SER A 86 28.118 13.867 -0.726 1.00 0.00 O ATOM 1285 CB SER A 86 26.657 14.249 -3.792 1.00 0.00 C ATOM 1286 OG SER A 86 25.521 14.091 -4.623 1.00 0.00 O ATOM 0 H SER A 86 26.461 15.598 -1.285 1.00 0.00 H new ATOM 0 HA SER A 86 25.633 12.989 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 86 26.969 15.293 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 86 27.488 13.668 -4.192 1.00 0.00 H new ATOM 0 HG SER A 86 25.737 14.386 -5.532 1.00 0.00 H new ATOM 1292 N GLY A 87 28.176 12.199 -2.235 1.00 0.00 N ATOM 1293 CA GLY A 87 29.391 11.627 -1.685 1.00 0.00 C ATOM 1294 C GLY A 87 29.162 10.258 -1.076 1.00 0.00 C ATOM 1295 O GLY A 87 28.749 9.325 -1.765 1.00 0.00 O ATOM 0 H GLY A 87 27.795 11.702 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 87 30.142 11.551 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 87 29.793 12.297 -0.925 1.00 0.00 H new TER 1299 GLY A 87