USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 822 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 625 THR OG1 : rot 37:sc= 0.042 USER MOD Set 1.2: A 636 GLN : amide:sc= 0.042 X(o=0.084,f=-0.2) USER MOD Single : A 563 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.02) USER MOD Single : A 564 GLN :FLIP amide:sc= -0.0681 F(o=-0.77,f=-0.068) USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 SER OG : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 573 GLN : amide:sc= -0.841 K(o=-0.84,f=-2.1) USER MOD Single : A 581 SER OG : rot 180:sc= 0 USER MOD Single : A 594 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.54) USER MOD Single : A 597 THR OG1 : rot -72:sc= 0.836 USER MOD Single : A 604 LYS NZ :NH3+ -143:sc= 1.03 (180deg=-0.546) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 613 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.017) USER MOD Single : A 615 THR OG1 : rot 142:sc= -3.72! USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0615) USER MOD Single : A 622 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.145) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 628 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=-0.48) USER MOD Single : A 629 THR OG1 : rot 83:sc= 0.631 USER MOD Single : A 631 SER OG : rot -67:sc= 0.988 USER MOD Single : A 635 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.89) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 660 GLN : amide:sc= -0.0098 X(o=-0.0098,f=0) USER MOD Single : A 661 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 663 LYS NZ :NH3+ -124:sc=-0.00183 (180deg=-1.06) USER MOD Single : A 664 GLN : amide:sc=-0.00974 K(o=-0.0097,f=-1.2) USER MOD Single : A 665 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.046) USER MOD Single : A 670 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 GLN : amide:sc= -0.0435 X(o=-0.043,f=0) USER MOD Single : A 678 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 561 -15.401 -13.605 37.298 1.00 61.14 N ATOM 2 CA PRO A 561 -14.040 -14.132 37.435 1.00 53.40 C ATOM 3 C PRO A 561 -13.143 -13.730 36.269 1.00 62.33 C ATOM 4 O PRO A 561 -13.594 -13.097 35.315 1.00 21.22 O ATOM 5 CB PRO A 561 -14.247 -15.648 37.453 1.00 43.25 C ATOM 6 CG PRO A 561 -15.526 -15.865 36.722 1.00 4.21 C ATOM 7 CD PRO A 561 -16.383 -14.668 37.023 1.00 20.21 C ATOM 0 HA PRO A 561 -13.541 -13.746 38.324 1.00 53.40 H new ATOM 0 HB2 PRO A 561 -13.420 -16.166 36.967 1.00 43.25 H new ATOM 0 HB3 PRO A 561 -14.305 -16.027 38.473 1.00 43.25 H new ATOM 0 HG2 PRO A 561 -15.352 -15.960 35.650 1.00 4.21 H new ATOM 0 HG3 PRO A 561 -16.011 -16.785 37.049 1.00 4.21 H new ATOM 0 HD2 PRO A 561 -17.026 -14.413 36.181 1.00 20.21 H new ATOM 0 HD3 PRO A 561 -17.034 -14.845 37.879 1.00 20.21 H new ATOM 12 N VAL A 562 -11.870 -14.104 36.352 1.00 73.42 N ATOM 13 CA VAL A 562 -10.910 -13.784 35.302 1.00 55.43 C ATOM 14 C VAL A 562 -9.559 -14.438 35.575 1.00 11.54 C ATOM 15 O VAL A 562 -8.975 -14.258 36.643 1.00 63.21 O ATOM 16 CB VAL A 562 -10.712 -12.262 35.167 1.00 62.10 C ATOM 17 CG1 VAL A 562 -10.282 -11.660 36.496 1.00 35.32 C ATOM 18 CG2 VAL A 562 -9.697 -11.952 34.077 1.00 41.34 C ATOM 0 H VAL A 562 -11.480 -14.629 37.135 1.00 73.42 H new ATOM 0 HA VAL A 562 -11.319 -14.174 34.370 1.00 55.43 H new ATOM 0 HB VAL A 562 -11.663 -11.812 34.883 1.00 62.10 H new ATOM 0 HG11 VAL A 562 -10.147 -10.584 36.382 1.00 35.32 H new ATOM 0 HG12 VAL A 562 -11.048 -11.852 37.247 1.00 35.32 H new ATOM 0 HG13 VAL A 562 -9.342 -12.112 36.813 1.00 35.32 H new ATOM 0 HG21 VAL A 562 -9.569 -10.873 33.995 1.00 41.34 H new ATOM 0 HG22 VAL A 562 -8.741 -12.412 34.328 1.00 41.34 H new ATOM 0 HG23 VAL A 562 -10.052 -12.349 33.126 1.00 41.34 H new ATOM 28 N ASN A 563 -9.070 -15.199 34.602 1.00 60.32 N ATOM 29 CA ASN A 563 -7.787 -15.880 34.736 1.00 44.21 C ATOM 30 C ASN A 563 -7.123 -16.062 33.375 1.00 72.44 C ATOM 31 O ASN A 563 -7.798 -16.239 32.362 1.00 4.23 O ATOM 32 CB ASN A 563 -7.978 -17.242 35.409 1.00 13.14 C ATOM 33 CG ASN A 563 -6.661 -17.882 35.799 1.00 71.04 C ATOM 34 OD1 ASN A 563 -5.920 -17.351 36.627 1.00 71.41 O ATOM 35 ND2 ASN A 563 -6.362 -19.031 35.204 1.00 3.42 N ATOM 0 H ASN A 563 -9.542 -15.360 33.712 1.00 60.32 H new ATOM 0 HA ASN A 563 -7.138 -15.262 35.357 1.00 44.21 H new ATOM 0 HB2 ASN A 563 -8.598 -17.122 36.298 1.00 13.14 H new ATOM 0 HB3 ASN A 563 -8.516 -17.906 34.733 1.00 13.14 H new ATOM 0 HD21 ASN A 563 -5.489 -19.509 35.427 1.00 3.42 H new ATOM 0 HD22 ASN A 563 -7.005 -19.436 34.524 1.00 3.42 H new ATOM 41 N GLN A 564 -5.795 -16.018 33.361 1.00 74.43 N ATOM 42 CA GLN A 564 -5.038 -16.178 32.124 1.00 0.22 C ATOM 43 C GLN A 564 -3.569 -16.468 32.417 1.00 11.10 C ATOM 44 O GLN A 564 -3.115 -16.338 33.555 1.00 43.42 O ATOM 45 CB GLN A 564 -5.160 -14.920 31.261 1.00 52.33 C ATOM 46 CG GLN A 564 -4.995 -15.186 29.773 1.00 35.41 C ATOM 47 CD GLN A 564 -5.444 -14.018 28.919 1.00 33.13 C ATOM 48 OE1 GLN A 564 -4.723 -12.906 29.009 1.00 25.02 O flip ATOM 49 NE2 GLN A 564 -6.429 -14.112 28.187 1.00 42.02 N flip ATOM 0 H GLN A 564 -5.221 -15.873 34.191 1.00 74.43 H new ATOM 0 HA GLN A 564 -5.454 -17.026 31.580 1.00 0.22 H new ATOM 0 HB2 GLN A 564 -6.134 -14.463 31.434 1.00 52.33 H new ATOM 0 HB3 GLN A 564 -4.408 -14.197 31.578 1.00 52.33 H new ATOM 0 HG2 GLN A 564 -3.949 -15.405 29.561 1.00 35.41 H new ATOM 0 HG3 GLN A 564 -5.568 -16.072 29.500 1.00 35.41 H new ATOM 0 HE21 GLN A 564 -6.954 -14.985 28.148 1.00 42.02 H new ATOM 0 HE22 GLN A 564 -6.720 -13.316 27.619 1.00 42.02 H new ATOM 56 N LYS A 565 -2.831 -16.860 31.385 1.00 42.41 N ATOM 57 CA LYS A 565 -1.413 -17.167 31.530 1.00 43.42 C ATOM 58 C LYS A 565 -0.576 -16.346 30.555 1.00 1.30 C ATOM 59 O LYS A 565 0.520 -16.753 30.169 1.00 0.23 O ATOM 60 CB LYS A 565 -1.168 -18.660 31.299 1.00 41.21 C ATOM 61 CG LYS A 565 -1.664 -19.156 29.951 1.00 52.43 C ATOM 62 CD LYS A 565 -0.560 -19.131 28.907 1.00 1.21 C ATOM 63 CE LYS A 565 -0.906 -20.002 27.710 1.00 20.54 C ATOM 64 NZ LYS A 565 -0.460 -21.410 27.899 1.00 33.43 N ATOM 0 H LYS A 565 -3.192 -16.973 30.438 1.00 42.41 H new ATOM 0 HA LYS A 565 -1.112 -16.908 32.545 1.00 43.42 H new ATOM 0 HB2 LYS A 565 -0.100 -18.861 31.380 1.00 41.21 H new ATOM 0 HB3 LYS A 565 -1.660 -19.227 32.089 1.00 41.21 H new ATOM 0 HG2 LYS A 565 -2.046 -20.172 30.054 1.00 52.43 H new ATOM 0 HG3 LYS A 565 -2.496 -18.535 29.617 1.00 52.43 H new ATOM 0 HD2 LYS A 565 -0.393 -18.106 28.576 1.00 1.21 H new ATOM 0 HD3 LYS A 565 0.372 -19.477 29.353 1.00 1.21 H new ATOM 0 HE2 LYS A 565 -1.983 -19.982 27.546 1.00 20.54 H new ATOM 0 HE3 LYS A 565 -0.439 -19.591 26.815 1.00 20.54 H new ATOM 0 HZ1 LYS A 565 -0.715 -21.970 27.061 1.00 33.43 H new ATOM 0 HZ2 LYS A 565 0.571 -21.433 28.030 1.00 33.43 H new ATOM 0 HZ3 LYS A 565 -0.925 -21.812 28.738 1.00 33.43 H new ATOM 74 N SER A 566 -1.099 -15.190 30.162 1.00 13.01 N ATOM 75 CA SER A 566 -0.400 -14.313 29.229 1.00 74.13 C ATOM 76 C SER A 566 0.330 -13.200 29.975 1.00 61.40 C ATOM 77 O SER A 566 -0.120 -12.737 31.023 1.00 4.45 O ATOM 78 CB SER A 566 -1.385 -13.710 28.227 1.00 32.51 C ATOM 79 OG SER A 566 -1.634 -14.603 27.156 1.00 22.33 O ATOM 0 H SER A 566 -2.004 -14.838 30.474 1.00 13.01 H new ATOM 0 HA SER A 566 0.336 -14.909 28.689 1.00 74.13 H new ATOM 0 HB2 SER A 566 -2.322 -13.472 28.731 1.00 32.51 H new ATOM 0 HB3 SER A 566 -0.985 -12.773 27.838 1.00 32.51 H new ATOM 0 HG SER A 566 -2.268 -14.195 26.530 1.00 22.33 H new ATOM 84 N LYS A 567 1.463 -12.772 29.427 1.00 64.52 N ATOM 85 CA LYS A 567 2.258 -11.712 30.036 1.00 44.54 C ATOM 86 C LYS A 567 2.241 -10.455 29.172 1.00 11.41 C ATOM 87 O LYS A 567 2.414 -9.345 29.675 1.00 25.23 O ATOM 88 CB LYS A 567 3.699 -12.183 30.244 1.00 63.14 C ATOM 89 CG LYS A 567 4.464 -12.391 28.947 1.00 14.53 C ATOM 90 CD LYS A 567 5.803 -13.066 29.192 1.00 2.14 C ATOM 91 CE LYS A 567 6.709 -12.963 27.975 1.00 30.14 C ATOM 92 NZ LYS A 567 7.795 -13.982 28.005 1.00 0.23 N ATOM 0 H LYS A 567 1.852 -13.144 28.560 1.00 64.52 H new ATOM 0 HA LYS A 567 1.818 -11.472 31.004 1.00 44.54 H new ATOM 0 HB2 LYS A 567 4.227 -11.451 30.854 1.00 63.14 H new ATOM 0 HB3 LYS A 567 3.690 -13.118 30.805 1.00 63.14 H new ATOM 0 HG2 LYS A 567 3.868 -12.999 28.266 1.00 14.53 H new ATOM 0 HG3 LYS A 567 4.624 -11.429 28.460 1.00 14.53 H new ATOM 0 HD2 LYS A 567 6.292 -12.606 30.051 1.00 2.14 H new ATOM 0 HD3 LYS A 567 5.643 -14.115 29.440 1.00 2.14 H new ATOM 0 HE2 LYS A 567 6.116 -13.090 27.069 1.00 30.14 H new ATOM 0 HE3 LYS A 567 7.147 -11.966 27.932 1.00 30.14 H new ATOM 0 HZ1 LYS A 567 8.391 -13.879 27.159 1.00 0.23 H new ATOM 0 HZ2 LYS A 567 8.376 -13.845 28.857 1.00 0.23 H new ATOM 0 HZ3 LYS A 567 7.377 -14.934 28.021 1.00 0.23 H new ATOM 102 N ARG A 568 2.032 -10.638 27.873 1.00 2.20 N ATOM 103 CA ARG A 568 1.992 -9.518 26.941 1.00 20.12 C ATOM 104 C ARG A 568 0.667 -8.770 27.045 1.00 4.22 C ATOM 105 O ARG A 568 -0.403 -9.380 27.055 1.00 43.00 O ATOM 106 CB ARG A 568 2.201 -10.011 25.508 1.00 4.04 C ATOM 107 CG ARG A 568 1.958 -8.943 24.454 1.00 55.24 C ATOM 108 CD ARG A 568 2.607 -9.311 23.129 1.00 10.21 C ATOM 109 NE ARG A 568 2.456 -8.253 22.133 1.00 14.11 N ATOM 110 CZ ARG A 568 2.984 -8.308 20.915 1.00 42.53 C ATOM 111 NH1 ARG A 568 3.693 -9.366 20.544 1.00 11.53 N ATOM 112 NH2 ARG A 568 2.802 -7.306 20.065 1.00 13.31 N ATOM 0 H ARG A 568 1.888 -11.551 27.442 1.00 2.20 H new ATOM 0 HA ARG A 568 2.798 -8.832 27.203 1.00 20.12 H new ATOM 0 HB2 ARG A 568 3.220 -10.384 25.406 1.00 4.04 H new ATOM 0 HB3 ARG A 568 1.533 -10.852 25.321 1.00 4.04 H new ATOM 0 HG2 ARG A 568 0.886 -8.809 24.311 1.00 55.24 H new ATOM 0 HG3 ARG A 568 2.355 -7.989 24.802 1.00 55.24 H new ATOM 0 HD2 ARG A 568 3.667 -9.511 23.288 1.00 10.21 H new ATOM 0 HD3 ARG A 568 2.162 -10.231 22.751 1.00 10.21 H new ATOM 0 HE ARG A 568 1.915 -7.426 22.387 1.00 14.11 H new ATOM 0 HH11 ARG A 568 3.834 -10.139 21.194 1.00 11.53 H new ATOM 0 HH12 ARG A 568 4.097 -9.406 19.609 1.00 11.53 H new ATOM 0 HH21 ARG A 568 2.256 -6.492 20.346 1.00 13.31 H new ATOM 0 HH22 ARG A 568 3.208 -7.350 19.130 1.00 13.31 H new ATOM 123 N SER A 569 0.744 -7.445 27.122 1.00 53.30 N ATOM 124 CA SER A 569 -0.450 -6.614 27.229 1.00 51.22 C ATOM 125 C SER A 569 -0.585 -5.700 26.016 1.00 4.33 C ATOM 126 O SER A 569 0.407 -5.322 25.396 1.00 75.13 O ATOM 127 CB SER A 569 -0.401 -5.778 28.510 1.00 43.04 C ATOM 128 OG SER A 569 0.320 -6.448 29.529 1.00 21.20 O ATOM 0 H SER A 569 1.621 -6.924 27.112 1.00 53.30 H new ATOM 0 HA SER A 569 -1.319 -7.271 27.265 1.00 51.22 H new ATOM 0 HB2 SER A 569 0.067 -4.816 28.302 1.00 43.04 H new ATOM 0 HB3 SER A 569 -1.415 -5.572 28.853 1.00 43.04 H new ATOM 0 HG SER A 569 0.338 -5.892 30.336 1.00 21.20 H new ATOM 133 N GLU A 570 -1.824 -5.349 25.684 1.00 21.13 N ATOM 134 CA GLU A 570 -2.092 -4.479 24.544 1.00 52.04 C ATOM 135 C GLU A 570 -1.571 -3.068 24.802 1.00 42.33 C ATOM 136 O GLU A 570 -1.512 -2.615 25.946 1.00 51.43 O ATOM 137 CB GLU A 570 -3.591 -4.435 24.248 1.00 2.35 C ATOM 138 CG GLU A 570 -4.430 -3.969 25.426 1.00 15.15 C ATOM 139 CD GLU A 570 -5.866 -4.452 25.349 1.00 41.04 C ATOM 140 OE1 GLU A 570 -6.274 -4.925 24.268 1.00 45.41 O ATOM 141 OE2 GLU A 570 -6.580 -4.359 26.369 1.00 22.32 O ATOM 0 H GLU A 570 -2.657 -5.653 26.188 1.00 21.13 H new ATOM 0 HA GLU A 570 -1.571 -4.887 23.678 1.00 52.04 H new ATOM 0 HB2 GLU A 570 -3.766 -3.770 23.402 1.00 2.35 H new ATOM 0 HB3 GLU A 570 -3.923 -5.429 23.947 1.00 2.35 H new ATOM 0 HG2 GLU A 570 -3.980 -4.327 26.352 1.00 15.15 H new ATOM 0 HG3 GLU A 570 -4.419 -2.880 25.466 1.00 15.15 H new ATOM 146 N LEU A 571 -1.194 -2.379 23.731 1.00 33.13 N ATOM 147 CA LEU A 571 -0.677 -1.018 23.841 1.00 1.44 C ATOM 148 C LEU A 571 -0.908 -0.243 22.548 1.00 32.33 C ATOM 149 O LEU A 571 -1.518 -0.751 21.607 1.00 42.43 O ATOM 150 CB LEU A 571 0.815 -1.044 24.174 1.00 33.40 C ATOM 151 CG LEU A 571 1.185 -1.568 25.562 1.00 62.12 C ATOM 152 CD1 LEU A 571 2.696 -1.622 25.727 1.00 13.21 C ATOM 153 CD2 LEU A 571 0.559 -0.700 26.644 1.00 42.31 C ATOM 0 H LEU A 571 -1.236 -2.739 22.778 1.00 33.13 H new ATOM 0 HA LEU A 571 -1.213 -0.515 24.646 1.00 1.44 H new ATOM 0 HB2 LEU A 571 1.322 -1.657 23.429 1.00 33.40 H new ATOM 0 HB3 LEU A 571 1.207 -0.032 24.074 1.00 33.40 H new ATOM 0 HG LEU A 571 0.793 -2.580 25.664 1.00 62.12 H new ATOM 0 HD11 LEU A 571 2.940 -1.997 26.721 1.00 13.21 H new ATOM 0 HD12 LEU A 571 3.121 -2.286 24.974 1.00 13.21 H new ATOM 0 HD13 LEU A 571 3.111 -0.622 25.605 1.00 13.21 H new ATOM 0 HD21 LEU A 571 0.833 -1.088 27.625 1.00 42.31 H new ATOM 0 HD22 LEU A 571 0.921 0.323 26.544 1.00 42.31 H new ATOM 0 HD23 LEU A 571 -0.526 -0.713 26.539 1.00 42.31 H new ATOM 164 N SER A 572 -0.415 0.991 22.508 1.00 1.44 N ATOM 165 CA SER A 572 -0.570 1.838 21.331 1.00 32.41 C ATOM 166 C SER A 572 0.779 2.380 20.871 1.00 63.54 C ATOM 167 O SER A 572 1.791 2.220 21.555 1.00 5.12 O ATOM 168 CB SER A 572 -1.521 2.998 21.632 1.00 13.23 C ATOM 169 OG SER A 572 -2.664 2.550 22.340 1.00 42.30 O ATOM 0 H SER A 572 0.095 1.426 23.277 1.00 1.44 H new ATOM 0 HA SER A 572 -0.991 1.230 20.530 1.00 32.41 H new ATOM 0 HB2 SER A 572 -1.001 3.756 22.217 1.00 13.23 H new ATOM 0 HB3 SER A 572 -1.829 3.471 20.700 1.00 13.23 H new ATOM 0 HG SER A 572 -3.255 3.310 22.522 1.00 42.30 H new ATOM 174 N GLN A 573 0.788 3.020 19.706 1.00 11.24 N ATOM 175 CA GLN A 573 2.013 3.585 19.154 1.00 23.01 C ATOM 176 C GLN A 573 1.705 4.774 18.250 1.00 32.20 C ATOM 177 O GLN A 573 0.552 5.185 18.119 1.00 71.24 O ATOM 178 CB GLN A 573 2.781 2.519 18.369 1.00 73.15 C ATOM 179 CG GLN A 573 3.439 1.471 19.252 1.00 74.53 C ATOM 180 CD GLN A 573 4.397 2.076 20.261 1.00 42.13 C ATOM 181 OE1 GLN A 573 4.870 3.199 20.089 1.00 51.14 O ATOM 182 NE2 GLN A 573 4.686 1.331 21.322 1.00 42.31 N ATOM 0 H GLN A 573 -0.040 3.160 19.126 1.00 11.24 H new ATOM 0 HA GLN A 573 2.630 3.932 19.983 1.00 23.01 H new ATOM 0 HB2 GLN A 573 2.097 2.024 17.680 1.00 73.15 H new ATOM 0 HB3 GLN A 573 3.546 3.006 17.764 1.00 73.15 H new ATOM 0 HG2 GLN A 573 2.668 0.910 19.780 1.00 74.53 H new ATOM 0 HG3 GLN A 573 3.978 0.760 18.626 1.00 74.53 H new ATOM 0 HE21 GLN A 573 4.270 0.405 21.424 1.00 42.31 H new ATOM 0 HE22 GLN A 573 5.324 1.685 22.035 1.00 42.31 H new ATOM 189 N ARG A 574 2.744 5.324 17.628 1.00 51.34 N ATOM 190 CA ARG A 574 2.584 6.467 16.739 1.00 31.42 C ATOM 191 C ARG A 574 2.659 6.034 15.278 1.00 0.42 C ATOM 192 O ARG A 574 1.643 5.974 14.586 1.00 25.11 O ATOM 193 CB ARG A 574 3.659 7.517 17.025 1.00 73.33 C ATOM 194 CG ARG A 574 3.646 8.684 16.051 1.00 73.12 C ATOM 195 CD ARG A 574 2.378 9.511 16.189 1.00 13.32 C ATOM 196 NE ARG A 574 1.321 9.047 15.294 1.00 15.22 N ATOM 197 CZ ARG A 574 0.275 9.787 14.947 1.00 23.13 C ATOM 198 NH1 ARG A 574 0.145 11.021 15.416 1.00 61.23 N ATOM 199 NH2 ARG A 574 -0.645 9.294 14.127 1.00 34.34 N ATOM 0 H ARG A 574 3.705 4.996 17.724 1.00 51.34 H new ATOM 0 HA ARG A 574 1.602 6.902 16.922 1.00 31.42 H new ATOM 0 HB2 ARG A 574 3.522 7.898 18.037 1.00 73.33 H new ATOM 0 HB3 ARG A 574 4.638 7.040 16.994 1.00 73.33 H new ATOM 0 HG2 ARG A 574 4.515 9.317 16.228 1.00 73.12 H new ATOM 0 HG3 ARG A 574 3.728 8.309 15.031 1.00 73.12 H new ATOM 0 HD2 ARG A 574 2.026 9.465 17.220 1.00 13.32 H new ATOM 0 HD3 ARG A 574 2.602 10.556 15.974 1.00 13.32 H new ATOM 0 HE ARG A 574 1.390 8.103 14.915 1.00 15.22 H new ATOM 0 HH11 ARG A 574 0.850 11.404 16.045 1.00 61.23 H new ATOM 0 HH12 ARG A 574 -0.660 11.587 15.147 1.00 61.23 H new ATOM 0 HH21 ARG A 574 -0.548 8.346 13.763 1.00 34.34 H new ATOM 0 HH22 ARG A 574 -1.449 9.863 13.861 1.00 34.34 H new ATOM 210 N ARG A 575 3.868 5.733 14.816 1.00 0.33 N ATOM 211 CA ARG A 575 4.075 5.306 13.437 1.00 73.12 C ATOM 212 C ARG A 575 3.439 6.293 12.462 1.00 62.14 C ATOM 213 O ARG A 575 2.575 5.924 11.667 1.00 2.15 O ATOM 214 CB ARG A 575 3.490 3.909 13.219 1.00 74.31 C ATOM 215 CG ARG A 575 4.334 2.796 13.818 1.00 41.24 C ATOM 216 CD ARG A 575 3.944 2.516 15.261 1.00 52.22 C ATOM 217 NE ARG A 575 4.869 1.589 15.909 1.00 23.41 N ATOM 218 CZ ARG A 575 6.051 1.951 16.395 1.00 53.54 C ATOM 219 NH1 ARG A 575 6.449 3.212 16.311 1.00 32.14 N ATOM 220 NH2 ARG A 575 6.837 1.050 16.971 1.00 5.53 N ATOM 0 H ARG A 575 4.719 5.777 15.376 1.00 0.33 H new ATOM 0 HA ARG A 575 5.148 5.276 13.250 1.00 73.12 H new ATOM 0 HB2 ARG A 575 2.491 3.870 13.654 1.00 74.31 H new ATOM 0 HB3 ARG A 575 3.379 3.734 12.149 1.00 74.31 H new ATOM 0 HG2 ARG A 575 4.215 1.889 13.225 1.00 41.24 H new ATOM 0 HG3 ARG A 575 5.388 3.072 13.772 1.00 41.24 H new ATOM 0 HD2 ARG A 575 3.920 3.453 15.818 1.00 52.22 H new ATOM 0 HD3 ARG A 575 2.936 2.102 15.290 1.00 52.22 H new ATOM 0 HE ARG A 575 4.592 0.611 15.993 1.00 23.41 H new ATOM 0 HH11 ARG A 575 5.847 3.909 15.872 1.00 32.14 H new ATOM 0 HH12 ARG A 575 7.357 3.486 16.685 1.00 32.14 H new ATOM 0 HH21 ARG A 575 6.534 0.079 17.041 1.00 5.53 H new ATOM 0 HH22 ARG A 575 7.745 1.329 17.344 1.00 5.53 H new ATOM 231 N ILE A 576 3.874 7.546 12.529 1.00 15.11 N ATOM 232 CA ILE A 576 3.347 8.585 11.653 1.00 41.02 C ATOM 233 C ILE A 576 4.028 8.549 10.288 1.00 32.33 C ATOM 234 O ILE A 576 5.210 8.225 10.182 1.00 64.51 O ATOM 235 CB ILE A 576 3.529 9.986 12.267 1.00 3.15 C ATOM 236 CG1 ILE A 576 2.785 11.032 11.434 1.00 51.31 C ATOM 237 CG2 ILE A 576 5.006 10.334 12.367 1.00 52.55 C ATOM 238 CD1 ILE A 576 2.475 12.302 12.195 1.00 71.33 C ATOM 0 H ILE A 576 4.590 7.867 13.181 1.00 15.11 H new ATOM 0 HA ILE A 576 2.282 8.386 11.532 1.00 41.02 H new ATOM 0 HB ILE A 576 3.108 9.983 13.273 1.00 3.15 H new ATOM 0 HG12 ILE A 576 3.384 11.280 10.558 1.00 51.31 H new ATOM 0 HG13 ILE A 576 1.853 10.599 11.071 1.00 51.31 H new ATOM 0 HG21 ILE A 576 5.117 11.327 12.803 1.00 52.55 H new ATOM 0 HG22 ILE A 576 5.510 9.602 12.998 1.00 52.55 H new ATOM 0 HG23 ILE A 576 5.451 10.323 11.372 1.00 52.55 H new ATOM 0 HD11 ILE A 576 1.947 12.998 11.542 1.00 71.33 H new ATOM 0 HD12 ILE A 576 1.850 12.067 13.056 1.00 71.33 H new ATOM 0 HD13 ILE A 576 3.405 12.758 12.536 1.00 71.33 H new ATOM 249 N ARG A 577 3.273 8.886 9.248 1.00 22.22 N ATOM 250 CA ARG A 577 3.803 8.893 7.890 1.00 2.45 C ATOM 251 C ARG A 577 3.428 10.184 7.166 1.00 10.53 C ATOM 252 O ARG A 577 2.829 11.085 7.753 1.00 54.21 O ATOM 253 CB ARG A 577 3.278 7.687 7.109 1.00 62.14 C ATOM 254 CG ARG A 577 3.769 6.353 7.647 1.00 24.24 C ATOM 255 CD ARG A 577 3.478 5.219 6.675 1.00 31.34 C ATOM 256 NE ARG A 577 4.069 5.459 5.362 1.00 31.34 N ATOM 257 CZ ARG A 577 5.375 5.411 5.123 1.00 1.12 C ATOM 258 NH1 ARG A 577 6.221 5.131 6.105 1.00 72.33 N ATOM 259 NH2 ARG A 577 5.837 5.641 3.901 1.00 3.34 N ATOM 0 H ARG A 577 2.292 9.158 9.320 1.00 22.22 H new ATOM 0 HA ARG A 577 4.890 8.833 7.951 1.00 2.45 H new ATOM 0 HB2 ARG A 577 2.188 7.698 7.129 1.00 62.14 H new ATOM 0 HB3 ARG A 577 3.579 7.781 6.066 1.00 62.14 H new ATOM 0 HG2 ARG A 577 4.841 6.407 7.834 1.00 24.24 H new ATOM 0 HG3 ARG A 577 3.289 6.146 8.603 1.00 24.24 H new ATOM 0 HD2 ARG A 577 3.865 4.285 7.082 1.00 31.34 H new ATOM 0 HD3 ARG A 577 2.400 5.099 6.571 1.00 31.34 H new ATOM 0 HE ARG A 577 3.445 5.676 4.585 1.00 31.34 H new ATOM 0 HH11 ARG A 577 5.869 4.952 7.046 1.00 72.33 H new ATOM 0 HH12 ARG A 577 7.223 5.095 5.920 1.00 72.33 H new ATOM 0 HH21 ARG A 577 5.189 5.855 3.143 1.00 3.34 H new ATOM 0 HH22 ARG A 577 6.840 5.604 3.720 1.00 3.34 H new ATOM 270 N ARG A 578 3.784 10.265 5.889 1.00 71.22 N ATOM 271 CA ARG A 578 3.488 11.444 5.085 1.00 15.43 C ATOM 272 C ARG A 578 2.489 11.113 3.981 1.00 23.52 C ATOM 273 O ARG A 578 2.306 9.955 3.602 1.00 12.13 O ATOM 274 CB ARG A 578 4.771 12.009 4.476 1.00 31.41 C ATOM 275 CG ARG A 578 5.482 13.011 5.371 1.00 22.51 C ATOM 276 CD ARG A 578 6.255 12.317 6.480 1.00 41.52 C ATOM 277 NE ARG A 578 6.678 13.250 7.521 1.00 4.12 N ATOM 278 CZ ARG A 578 7.646 14.144 7.357 1.00 4.35 C ATOM 279 NH1 ARG A 578 8.288 14.225 6.200 1.00 23.50 N ATOM 280 NH2 ARG A 578 7.973 14.961 8.351 1.00 45.05 N ATOM 0 H ARG A 578 4.279 9.527 5.388 1.00 71.22 H new ATOM 0 HA ARG A 578 3.044 12.195 5.738 1.00 15.43 H new ATOM 0 HB2 ARG A 578 5.451 11.186 4.255 1.00 31.41 H new ATOM 0 HB3 ARG A 578 4.532 12.489 3.527 1.00 31.41 H new ATOM 0 HG2 ARG A 578 6.165 13.614 4.773 1.00 22.51 H new ATOM 0 HG3 ARG A 578 4.752 13.693 5.807 1.00 22.51 H new ATOM 0 HD2 ARG A 578 5.633 11.538 6.922 1.00 41.52 H new ATOM 0 HD3 ARG A 578 7.131 11.824 6.058 1.00 41.52 H new ATOM 0 HE ARG A 578 6.204 13.213 8.423 1.00 4.12 H new ATOM 0 HH11 ARG A 578 8.039 13.600 5.434 1.00 23.50 H new ATOM 0 HH12 ARG A 578 9.031 14.913 6.076 1.00 23.50 H new ATOM 0 HH21 ARG A 578 7.480 14.902 9.242 1.00 45.05 H new ATOM 0 HH22 ARG A 578 8.717 15.647 8.223 1.00 45.05 H new ATOM 291 N PRO A 579 1.827 12.152 3.449 1.00 2.02 N ATOM 292 CA PRO A 579 0.837 11.995 2.380 1.00 21.54 C ATOM 293 C PRO A 579 1.474 11.596 1.053 1.00 33.23 C ATOM 294 O PRO A 579 2.066 12.427 0.363 1.00 23.01 O ATOM 295 CB PRO A 579 0.207 13.387 2.274 1.00 53.21 C ATOM 296 CG PRO A 579 1.253 14.316 2.785 1.00 52.43 C ATOM 297 CD PRO A 579 1.995 13.558 3.851 1.00 73.12 C ATOM 0 HA PRO A 579 0.121 11.203 2.600 1.00 21.54 H new ATOM 0 HB2 PRO A 579 -0.063 13.622 1.244 1.00 53.21 H new ATOM 0 HB3 PRO A 579 -0.706 13.455 2.866 1.00 53.21 H new ATOM 0 HG2 PRO A 579 1.926 14.624 1.985 1.00 52.43 H new ATOM 0 HG3 PRO A 579 0.805 15.223 3.191 1.00 52.43 H new ATOM 0 HD2 PRO A 579 3.047 13.842 3.888 1.00 73.12 H new ATOM 0 HD3 PRO A 579 1.579 13.745 4.841 1.00 73.12 H new ATOM 302 N PHE A 580 1.348 10.321 0.701 1.00 13.43 N ATOM 303 CA PHE A 580 1.912 9.813 -0.543 1.00 4.10 C ATOM 304 C PHE A 580 0.887 9.878 -1.672 1.00 33.11 C ATOM 305 O PHE A 580 -0.307 9.671 -1.454 1.00 72.01 O ATOM 306 CB PHE A 580 2.392 8.372 -0.358 1.00 64.41 C ATOM 307 CG PHE A 580 3.789 8.270 0.184 1.00 11.31 C ATOM 308 CD1 PHE A 580 4.016 8.258 1.550 1.00 54.43 C ATOM 309 CD2 PHE A 580 4.875 8.187 -0.673 1.00 51.44 C ATOM 310 CE1 PHE A 580 5.300 8.165 2.052 1.00 12.22 C ATOM 311 CE2 PHE A 580 6.161 8.094 -0.176 1.00 64.11 C ATOM 312 CZ PHE A 580 6.374 8.082 1.188 1.00 51.03 C ATOM 0 H PHE A 580 0.860 9.621 1.260 1.00 13.43 H new ATOM 0 HA PHE A 580 2.762 10.441 -0.811 1.00 4.10 H new ATOM 0 HB2 PHE A 580 1.710 7.854 0.317 1.00 64.41 H new ATOM 0 HB3 PHE A 580 2.344 7.856 -1.317 1.00 64.41 H new ATOM 0 HD1 PHE A 580 3.180 8.322 2.231 1.00 54.43 H new ATOM 0 HD2 PHE A 580 4.714 8.195 -1.741 1.00 51.44 H new ATOM 0 HE1 PHE A 580 5.464 8.157 3.120 1.00 12.22 H new ATOM 0 HE2 PHE A 580 6.999 8.031 -0.854 1.00 64.11 H new ATOM 0 HZ PHE A 580 7.378 8.008 1.578 1.00 51.03 H new ATOM 321 N SER A 581 1.363 10.170 -2.879 1.00 1.25 N ATOM 322 CA SER A 581 0.488 10.268 -4.042 1.00 51.15 C ATOM 323 C SER A 581 0.005 8.888 -4.476 1.00 42.33 C ATOM 324 O SER A 581 0.623 7.872 -4.156 1.00 25.43 O ATOM 325 CB SER A 581 1.218 10.953 -5.198 1.00 71.51 C ATOM 326 OG SER A 581 2.075 11.978 -4.726 1.00 1.20 O ATOM 0 H SER A 581 2.349 10.343 -3.077 1.00 1.25 H new ATOM 0 HA SER A 581 -0.380 10.866 -3.764 1.00 51.15 H new ATOM 0 HB2 SER A 581 1.799 10.216 -5.753 1.00 71.51 H new ATOM 0 HB3 SER A 581 0.491 11.374 -5.892 1.00 71.51 H new ATOM 0 HG SER A 581 2.531 12.399 -5.485 1.00 1.20 H new ATOM 331 N VAL A 582 -1.105 8.859 -5.208 1.00 71.31 N ATOM 332 CA VAL A 582 -1.671 7.604 -5.688 1.00 32.15 C ATOM 333 C VAL A 582 -0.644 6.805 -6.482 1.00 31.30 C ATOM 334 O VAL A 582 -0.654 5.575 -6.468 1.00 21.52 O ATOM 335 CB VAL A 582 -2.909 7.850 -6.572 1.00 42.54 C ATOM 336 CG1 VAL A 582 -4.014 8.517 -5.769 1.00 31.02 C ATOM 337 CG2 VAL A 582 -2.538 8.689 -7.786 1.00 10.42 C ATOM 0 H VAL A 582 -1.629 9.690 -5.481 1.00 71.31 H new ATOM 0 HA VAL A 582 -1.968 7.033 -4.808 1.00 32.15 H new ATOM 0 HB VAL A 582 -3.280 6.888 -6.924 1.00 42.54 H new ATOM 0 HG11 VAL A 582 -4.880 8.683 -6.410 1.00 31.02 H new ATOM 0 HG12 VAL A 582 -4.297 7.874 -4.936 1.00 31.02 H new ATOM 0 HG13 VAL A 582 -3.658 9.473 -5.385 1.00 31.02 H new ATOM 0 HG21 VAL A 582 -3.424 8.853 -8.399 1.00 10.42 H new ATOM 0 HG22 VAL A 582 -2.141 9.649 -7.457 1.00 10.42 H new ATOM 0 HG23 VAL A 582 -1.782 8.166 -8.372 1.00 10.42 H new ATOM 347 N ALA A 583 0.244 7.513 -7.173 1.00 34.34 N ATOM 348 CA ALA A 583 1.280 6.871 -7.970 1.00 64.41 C ATOM 349 C ALA A 583 2.311 6.184 -7.081 1.00 21.23 C ATOM 350 O ALA A 583 2.756 5.075 -7.375 1.00 74.51 O ATOM 351 CB ALA A 583 1.956 7.889 -8.876 1.00 62.31 C ATOM 0 H ALA A 583 0.266 8.533 -7.196 1.00 34.34 H new ATOM 0 HA ALA A 583 0.807 6.108 -8.588 1.00 64.41 H new ATOM 0 HB1 ALA A 583 2.728 7.395 -9.466 1.00 62.31 H new ATOM 0 HB2 ALA A 583 1.216 8.330 -9.544 1.00 62.31 H new ATOM 0 HB3 ALA A 583 2.409 8.672 -8.269 1.00 62.31 H new ATOM 357 N GLU A 584 2.685 6.851 -5.994 1.00 41.53 N ATOM 358 CA GLU A 584 3.666 6.304 -5.063 1.00 4.44 C ATOM 359 C GLU A 584 3.048 5.199 -4.210 1.00 34.04 C ATOM 360 O GLU A 584 3.674 4.171 -3.957 1.00 50.12 O ATOM 361 CB GLU A 584 4.220 7.410 -4.163 1.00 3.24 C ATOM 362 CG GLU A 584 4.913 8.526 -4.926 1.00 25.32 C ATOM 363 CD GLU A 584 6.409 8.559 -4.680 1.00 23.04 C ATOM 364 OE1 GLU A 584 7.083 7.557 -4.994 1.00 64.25 O ATOM 365 OE2 GLU A 584 6.904 9.587 -4.174 1.00 53.14 O ATOM 0 H GLU A 584 2.324 7.770 -5.736 1.00 41.53 H new ATOM 0 HA GLU A 584 4.483 5.877 -5.644 1.00 4.44 H new ATOM 0 HB2 GLU A 584 3.404 7.834 -3.578 1.00 3.24 H new ATOM 0 HB3 GLU A 584 4.925 6.972 -3.456 1.00 3.24 H new ATOM 0 HG2 GLU A 584 4.727 8.402 -5.993 1.00 25.32 H new ATOM 0 HG3 GLU A 584 4.480 9.483 -4.636 1.00 25.32 H new ATOM 370 N VAL A 585 1.814 5.422 -3.767 1.00 30.02 N ATOM 371 CA VAL A 585 1.110 4.447 -2.942 1.00 44.10 C ATOM 372 C VAL A 585 0.921 3.130 -3.688 1.00 34.12 C ATOM 373 O VAL A 585 0.978 2.056 -3.093 1.00 53.45 O ATOM 374 CB VAL A 585 -0.267 4.976 -2.500 1.00 13.23 C ATOM 375 CG1 VAL A 585 -1.001 3.930 -1.675 1.00 71.13 C ATOM 376 CG2 VAL A 585 -0.113 6.272 -1.718 1.00 3.35 C ATOM 0 H VAL A 585 1.282 6.269 -3.966 1.00 30.02 H new ATOM 0 HA VAL A 585 1.726 4.276 -2.059 1.00 44.10 H new ATOM 0 HB VAL A 585 -0.861 5.184 -3.390 1.00 13.23 H new ATOM 0 HG11 VAL A 585 -1.972 4.322 -1.372 1.00 71.13 H new ATOM 0 HG12 VAL A 585 -1.143 3.030 -2.273 1.00 71.13 H new ATOM 0 HG13 VAL A 585 -0.414 3.688 -0.789 1.00 71.13 H new ATOM 0 HG21 VAL A 585 -1.096 6.632 -1.413 1.00 3.35 H new ATOM 0 HG22 VAL A 585 0.498 6.093 -0.833 1.00 3.35 H new ATOM 0 HG23 VAL A 585 0.369 7.021 -2.346 1.00 3.35 H new ATOM 386 N GLU A 586 0.696 3.224 -4.995 1.00 60.13 N ATOM 387 CA GLU A 586 0.498 2.040 -5.822 1.00 74.14 C ATOM 388 C GLU A 586 1.623 1.032 -5.607 1.00 63.15 C ATOM 389 O GLU A 586 1.420 -0.177 -5.722 1.00 11.34 O ATOM 390 CB GLU A 586 0.424 2.429 -7.300 1.00 14.43 C ATOM 391 CG GLU A 586 1.772 2.424 -7.999 1.00 60.52 C ATOM 392 CD GLU A 586 1.777 3.262 -9.263 1.00 34.14 C ATOM 393 OE1 GLU A 586 0.683 3.660 -9.716 1.00 33.41 O ATOM 394 OE2 GLU A 586 2.875 3.521 -9.799 1.00 41.14 O ATOM 0 H GLU A 586 0.646 4.107 -5.503 1.00 60.13 H new ATOM 0 HA GLU A 586 -0.444 1.577 -5.528 1.00 74.14 H new ATOM 0 HB2 GLU A 586 -0.245 1.740 -7.815 1.00 14.43 H new ATOM 0 HB3 GLU A 586 -0.015 3.423 -7.384 1.00 14.43 H new ATOM 0 HG2 GLU A 586 2.533 2.800 -7.315 1.00 60.52 H new ATOM 0 HG3 GLU A 586 2.045 1.398 -8.247 1.00 60.52 H new ATOM 399 N ALA A 587 2.812 1.538 -5.294 1.00 22.11 N ATOM 400 CA ALA A 587 3.969 0.683 -5.061 1.00 74.02 C ATOM 401 C ALA A 587 3.791 -0.149 -3.795 1.00 3.22 C ATOM 402 O ALA A 587 4.027 -1.358 -3.797 1.00 2.32 O ATOM 403 CB ALA A 587 5.236 1.522 -4.970 1.00 10.44 C ATOM 0 H ALA A 587 2.999 2.536 -5.196 1.00 22.11 H new ATOM 0 HA ALA A 587 4.059 -0.001 -5.904 1.00 74.02 H new ATOM 0 HB1 ALA A 587 6.092 0.870 -4.796 1.00 10.44 H new ATOM 0 HB2 ALA A 587 5.379 2.067 -5.903 1.00 10.44 H new ATOM 0 HB3 ALA A 587 5.145 2.230 -4.146 1.00 10.44 H new ATOM 409 N LEU A 588 3.375 0.505 -2.717 1.00 2.44 N ATOM 410 CA LEU A 588 3.166 -0.175 -1.444 1.00 15.45 C ATOM 411 C LEU A 588 2.183 -1.331 -1.598 1.00 4.51 C ATOM 412 O LEU A 588 2.433 -2.440 -1.123 1.00 5.34 O ATOM 413 CB LEU A 588 2.648 0.811 -0.395 1.00 34.02 C ATOM 414 CG LEU A 588 2.900 0.433 1.065 1.00 2.31 C ATOM 415 CD1 LEU A 588 2.280 -0.919 1.381 1.00 2.33 C ATOM 416 CD2 LEU A 588 4.393 0.420 1.363 1.00 25.22 C ATOM 0 H LEU A 588 3.176 1.505 -2.699 1.00 2.44 H new ATOM 0 HA LEU A 588 4.124 -0.578 -1.115 1.00 15.45 H new ATOM 0 HB2 LEU A 588 3.105 1.783 -0.582 1.00 34.02 H new ATOM 0 HB3 LEU A 588 1.574 0.931 -0.538 1.00 34.02 H new ATOM 0 HG LEU A 588 2.429 1.183 1.701 1.00 2.31 H new ATOM 0 HD11 LEU A 588 2.470 -1.171 2.424 1.00 2.33 H new ATOM 0 HD12 LEU A 588 1.205 -0.876 1.208 1.00 2.33 H new ATOM 0 HD13 LEU A 588 2.721 -1.681 0.738 1.00 2.33 H new ATOM 0 HD21 LEU A 588 4.553 0.149 2.407 1.00 25.22 H new ATOM 0 HD22 LEU A 588 4.886 -0.308 0.719 1.00 25.22 H new ATOM 0 HD23 LEU A 588 4.810 1.410 1.177 1.00 25.22 H new ATOM 427 N VAL A 589 1.066 -1.066 -2.267 1.00 3.42 N ATOM 428 CA VAL A 589 0.046 -2.086 -2.488 1.00 32.33 C ATOM 429 C VAL A 589 0.552 -3.173 -3.428 1.00 24.23 C ATOM 430 O VAL A 589 0.558 -4.354 -3.081 1.00 24.23 O ATOM 431 CB VAL A 589 -1.242 -1.474 -3.072 1.00 55.14 C ATOM 432 CG1 VAL A 589 -2.354 -2.511 -3.112 1.00 33.40 C ATOM 433 CG2 VAL A 589 -1.665 -0.255 -2.266 1.00 44.20 C ATOM 0 H VAL A 589 0.844 -0.154 -2.666 1.00 3.42 H new ATOM 0 HA VAL A 589 -0.179 -2.526 -1.516 1.00 32.33 H new ATOM 0 HB VAL A 589 -1.041 -1.152 -4.094 1.00 55.14 H new ATOM 0 HG11 VAL A 589 -3.256 -2.061 -3.527 1.00 33.40 H new ATOM 0 HG12 VAL A 589 -2.047 -3.350 -3.736 1.00 33.40 H new ATOM 0 HG13 VAL A 589 -2.557 -2.866 -2.102 1.00 33.40 H new ATOM 0 HG21 VAL A 589 -2.576 0.165 -2.692 1.00 44.20 H new ATOM 0 HG22 VAL A 589 -1.849 -0.548 -1.233 1.00 44.20 H new ATOM 0 HG23 VAL A 589 -0.873 0.493 -2.295 1.00 44.20 H new ATOM 443 N GLU A 590 0.975 -2.766 -4.622 1.00 40.21 N ATOM 444 CA GLU A 590 1.483 -3.708 -5.613 1.00 13.32 C ATOM 445 C GLU A 590 2.621 -4.545 -5.036 1.00 33.43 C ATOM 446 O GLU A 590 2.853 -5.675 -5.463 1.00 25.42 O ATOM 447 CB GLU A 590 1.964 -2.960 -6.859 1.00 74.05 C ATOM 448 CG GLU A 590 0.837 -2.366 -7.685 1.00 44.23 C ATOM 449 CD GLU A 590 0.330 -3.319 -8.751 1.00 35.03 C ATOM 450 OE1 GLU A 590 0.332 -4.543 -8.501 1.00 33.04 O ATOM 451 OE2 GLU A 590 -0.068 -2.841 -9.835 1.00 53.32 O ATOM 0 H GLU A 590 0.976 -1.792 -4.925 1.00 40.21 H new ATOM 0 HA GLU A 590 0.669 -4.378 -5.891 1.00 13.32 H new ATOM 0 HB2 GLU A 590 2.640 -2.161 -6.554 1.00 74.05 H new ATOM 0 HB3 GLU A 590 2.539 -3.644 -7.483 1.00 74.05 H new ATOM 0 HG2 GLU A 590 0.013 -2.093 -7.026 1.00 44.23 H new ATOM 0 HG3 GLU A 590 1.184 -1.448 -8.159 1.00 44.23 H new ATOM 456 N ALA A 591 3.329 -3.979 -4.064 1.00 54.03 N ATOM 457 CA ALA A 591 4.442 -4.672 -3.428 1.00 75.01 C ATOM 458 C ALA A 591 3.943 -5.739 -2.460 1.00 50.31 C ATOM 459 O ALA A 591 4.428 -6.872 -2.463 1.00 74.41 O ATOM 460 CB ALA A 591 5.338 -3.678 -2.703 1.00 65.43 C ATOM 0 H ALA A 591 3.151 -3.043 -3.700 1.00 54.03 H new ATOM 0 HA ALA A 591 5.022 -5.167 -4.207 1.00 75.01 H new ATOM 0 HB1 ALA A 591 6.165 -4.210 -2.233 1.00 65.43 H new ATOM 0 HB2 ALA A 591 5.731 -2.954 -3.417 1.00 65.43 H new ATOM 0 HB3 ALA A 591 4.760 -3.157 -1.939 1.00 65.43 H new ATOM 466 N VAL A 592 2.970 -5.372 -1.631 1.00 73.13 N ATOM 467 CA VAL A 592 2.406 -6.299 -0.657 1.00 14.33 C ATOM 468 C VAL A 592 1.491 -7.315 -1.332 1.00 75.25 C ATOM 469 O VAL A 592 1.297 -8.420 -0.827 1.00 13.24 O ATOM 470 CB VAL A 592 1.611 -5.554 0.431 1.00 34.51 C ATOM 471 CG1 VAL A 592 0.411 -4.843 -0.176 1.00 12.44 C ATOM 472 CG2 VAL A 592 1.174 -6.516 1.525 1.00 42.13 C ATOM 0 H VAL A 592 2.556 -4.440 -1.615 1.00 73.13 H new ATOM 0 HA VAL A 592 3.244 -6.820 -0.193 1.00 14.33 H new ATOM 0 HB VAL A 592 2.260 -4.802 0.879 1.00 34.51 H new ATOM 0 HG11 VAL A 592 -0.138 -4.322 0.608 1.00 12.44 H new ATOM 0 HG12 VAL A 592 0.753 -4.123 -0.919 1.00 12.44 H new ATOM 0 HG13 VAL A 592 -0.242 -5.574 -0.652 1.00 12.44 H new ATOM 0 HG21 VAL A 592 0.614 -5.972 2.285 1.00 42.13 H new ATOM 0 HG22 VAL A 592 0.542 -7.293 1.095 1.00 42.13 H new ATOM 0 HG23 VAL A 592 2.053 -6.973 1.980 1.00 42.13 H new ATOM 482 N GLU A 593 0.934 -6.933 -2.477 1.00 13.14 N ATOM 483 CA GLU A 593 0.039 -7.811 -3.221 1.00 43.15 C ATOM 484 C GLU A 593 0.819 -8.938 -3.893 1.00 42.31 C ATOM 485 O GLU A 593 0.392 -10.093 -3.887 1.00 44.31 O ATOM 486 CB GLU A 593 -0.736 -7.015 -4.272 1.00 52.11 C ATOM 487 CG GLU A 593 -2.136 -6.622 -3.828 1.00 64.24 C ATOM 488 CD GLU A 593 -3.186 -7.629 -4.253 1.00 4.30 C ATOM 489 OE1 GLU A 593 -2.998 -8.834 -3.984 1.00 14.32 O ATOM 490 OE2 GLU A 593 -4.198 -7.212 -4.855 1.00 64.44 O ATOM 0 H GLU A 593 1.087 -6.022 -2.909 1.00 13.14 H new ATOM 0 HA GLU A 593 -0.667 -8.250 -2.516 1.00 43.15 H new ATOM 0 HB2 GLU A 593 -0.176 -6.113 -4.519 1.00 52.11 H new ATOM 0 HB3 GLU A 593 -0.806 -7.607 -5.185 1.00 52.11 H new ATOM 0 HG2 GLU A 593 -2.154 -6.520 -2.743 1.00 64.24 H new ATOM 0 HG3 GLU A 593 -2.385 -5.646 -4.244 1.00 64.24 H new ATOM 495 N HIS A 594 1.964 -8.594 -4.473 1.00 71.51 N ATOM 496 CA HIS A 594 2.804 -9.575 -5.151 1.00 70.33 C ATOM 497 C HIS A 594 3.718 -10.285 -4.157 1.00 50.04 C ATOM 498 O HIS A 594 3.834 -11.511 -4.171 1.00 14.51 O ATOM 499 CB HIS A 594 3.640 -8.899 -6.238 1.00 22.32 C ATOM 500 CG HIS A 594 2.846 -8.510 -7.448 1.00 74.33 C ATOM 501 ND1 HIS A 594 1.495 -8.237 -7.406 1.00 61.43 N ATOM 502 CD2 HIS A 594 3.222 -8.347 -8.738 1.00 52.20 C ATOM 503 CE1 HIS A 594 1.074 -7.925 -8.619 1.00 20.42 C ATOM 504 NE2 HIS A 594 2.103 -7.984 -9.445 1.00 21.34 N ATOM 0 H HIS A 594 2.332 -7.643 -4.487 1.00 71.51 H new ATOM 0 HA HIS A 594 2.153 -10.317 -5.614 1.00 70.33 H new ATOM 0 HB2 HIS A 594 4.112 -8.009 -5.821 1.00 22.32 H new ATOM 0 HB3 HIS A 594 4.442 -9.573 -6.540 1.00 22.32 H new ATOM 0 HD2 HIS A 594 4.217 -8.478 -9.137 1.00 52.20 H new ATOM 0 HE1 HIS A 594 0.061 -7.666 -8.889 1.00 20.42 H new ATOM 0 HE2 HIS A 594 2.071 -7.791 -10.446 1.00 21.34 H new ATOM 511 N LEU A 595 4.367 -9.507 -3.298 1.00 74.41 N ATOM 512 CA LEU A 595 5.274 -10.061 -2.297 1.00 30.21 C ATOM 513 C LEU A 595 4.498 -10.608 -1.104 1.00 20.23 C ATOM 514 O LEU A 595 5.043 -11.337 -0.277 1.00 74.12 O ATOM 515 CB LEU A 595 6.264 -8.993 -1.831 1.00 42.22 C ATOM 516 CG LEU A 595 6.985 -8.218 -2.934 1.00 73.43 C ATOM 517 CD1 LEU A 595 7.446 -6.863 -2.421 1.00 13.23 C ATOM 518 CD2 LEU A 595 8.167 -9.019 -3.462 1.00 64.02 C ATOM 0 H LEU A 595 4.283 -8.491 -3.274 1.00 74.41 H new ATOM 0 HA LEU A 595 5.825 -10.882 -2.756 1.00 30.21 H new ATOM 0 HB2 LEU A 595 5.729 -8.280 -1.204 1.00 42.22 H new ATOM 0 HB3 LEU A 595 7.014 -9.472 -1.201 1.00 42.22 H new ATOM 0 HG LEU A 595 6.285 -8.055 -3.754 1.00 73.43 H new ATOM 0 HD11 LEU A 595 7.957 -6.326 -3.220 1.00 13.23 H new ATOM 0 HD12 LEU A 595 6.582 -6.286 -2.091 1.00 13.23 H new ATOM 0 HD13 LEU A 595 8.130 -7.004 -1.584 1.00 13.23 H new ATOM 0 HD21 LEU A 595 8.669 -8.453 -4.246 1.00 64.02 H new ATOM 0 HD22 LEU A 595 8.867 -9.213 -2.650 1.00 64.02 H new ATOM 0 HD23 LEU A 595 7.812 -9.966 -3.869 1.00 64.02 H new ATOM 529 N GLY A 596 3.219 -10.252 -1.022 1.00 51.22 N ATOM 530 CA GLY A 596 2.388 -10.718 0.073 1.00 62.10 C ATOM 531 C GLY A 596 2.503 -9.840 1.303 1.00 70.31 C ATOM 532 O GLY A 596 3.327 -8.924 1.347 1.00 21.12 O ATOM 0 H GLY A 596 2.744 -9.649 -1.694 1.00 51.22 H new ATOM 0 HA2 GLY A 596 1.348 -10.748 -0.252 1.00 62.10 H new ATOM 0 HA3 GLY A 596 2.671 -11.738 0.331 1.00 62.10 H new ATOM 536 N THR A 597 1.675 -10.116 2.306 1.00 21.01 N ATOM 537 CA THR A 597 1.686 -9.343 3.541 1.00 0.10 C ATOM 538 C THR A 597 2.686 -9.915 4.539 1.00 43.52 C ATOM 539 O THR A 597 2.691 -9.541 5.711 1.00 53.14 O ATOM 540 CB THR A 597 0.290 -9.305 4.192 1.00 70.14 C ATOM 541 OG1 THR A 597 -0.494 -10.412 3.734 1.00 63.34 O ATOM 542 CG2 THR A 597 -0.423 -8.002 3.868 1.00 51.33 C ATOM 0 H THR A 597 0.988 -10.870 2.287 1.00 21.01 H new ATOM 0 HA THR A 597 1.983 -8.328 3.276 1.00 0.10 H new ATOM 0 HB THR A 597 0.415 -9.372 5.273 1.00 70.14 H new ATOM 0 HG1 THR A 597 -0.749 -10.268 2.799 1.00 63.34 H new ATOM 0 HG21 THR A 597 -1.406 -7.999 4.338 1.00 51.33 H new ATOM 0 HG22 THR A 597 0.163 -7.163 4.245 1.00 51.33 H new ATOM 0 HG23 THR A 597 -0.537 -7.909 2.788 1.00 51.33 H new ATOM 550 N GLY A 598 3.532 -10.827 4.067 1.00 33.25 N ATOM 551 CA GLY A 598 4.524 -11.435 4.932 1.00 72.33 C ATOM 552 C GLY A 598 5.941 -11.186 4.454 1.00 72.53 C ATOM 553 O GLY A 598 6.881 -11.839 4.908 1.00 74.23 O ATOM 0 H GLY A 598 3.547 -11.155 3.101 1.00 33.25 H new ATOM 0 HA2 GLY A 598 4.410 -11.042 5.942 1.00 72.33 H new ATOM 0 HA3 GLY A 598 4.345 -12.509 4.986 1.00 72.33 H new ATOM 557 N ARG A 599 6.096 -10.240 3.533 1.00 5.01 N ATOM 558 CA ARG A 599 7.408 -9.909 2.991 1.00 24.02 C ATOM 559 C ARG A 599 7.673 -8.409 3.089 1.00 40.25 C ATOM 560 O ARG A 599 7.712 -7.708 2.079 1.00 43.12 O ATOM 561 CB ARG A 599 7.510 -10.361 1.533 1.00 10.21 C ATOM 562 CG ARG A 599 7.780 -11.848 1.373 1.00 51.52 C ATOM 563 CD ARG A 599 8.064 -12.210 -0.076 1.00 53.11 C ATOM 564 NE ARG A 599 8.748 -13.496 -0.194 1.00 21.21 N ATOM 565 CZ ARG A 599 8.134 -14.668 -0.082 1.00 52.21 C ATOM 566 NH1 ARG A 599 6.829 -14.717 0.151 1.00 64.23 N ATOM 567 NH2 ARG A 599 8.824 -15.794 -0.202 1.00 40.15 N ATOM 0 H ARG A 599 5.329 -9.690 3.147 1.00 5.01 H new ATOM 0 HA ARG A 599 8.160 -10.434 3.580 1.00 24.02 H new ATOM 0 HB2 ARG A 599 6.582 -10.112 1.019 1.00 10.21 H new ATOM 0 HB3 ARG A 599 8.307 -9.801 1.043 1.00 10.21 H new ATOM 0 HG2 ARG A 599 8.629 -12.133 1.994 1.00 51.52 H new ATOM 0 HG3 ARG A 599 6.920 -12.415 1.729 1.00 51.52 H new ATOM 0 HD2 ARG A 599 7.127 -12.245 -0.631 1.00 53.11 H new ATOM 0 HD3 ARG A 599 8.675 -11.431 -0.531 1.00 53.11 H new ATOM 0 HE ARG A 599 9.752 -13.493 -0.372 1.00 21.21 H new ATOM 0 HH11 ARG A 599 6.295 -13.853 0.245 1.00 64.23 H new ATOM 0 HH12 ARG A 599 6.360 -15.619 0.237 1.00 64.23 H new ATOM 0 HH21 ARG A 599 9.828 -15.761 -0.381 1.00 40.15 H new ATOM 0 HH22 ARG A 599 8.351 -16.694 -0.116 1.00 40.15 H new ATOM 578 N TRP A 600 7.857 -7.925 4.313 1.00 44.30 N ATOM 579 CA TRP A 600 8.118 -6.509 4.543 1.00 22.00 C ATOM 580 C TRP A 600 9.389 -6.067 3.825 1.00 54.55 C ATOM 581 O TRP A 600 9.390 -5.069 3.105 1.00 33.44 O ATOM 582 CB TRP A 600 8.240 -6.230 6.042 1.00 10.12 C ATOM 583 CG TRP A 600 7.131 -6.831 6.850 1.00 55.50 C ATOM 584 CD1 TRP A 600 5.849 -7.064 6.438 1.00 53.24 C ATOM 585 CD2 TRP A 600 7.203 -7.273 8.210 1.00 32.32 C ATOM 586 NE1 TRP A 600 5.121 -7.624 7.460 1.00 52.35 N ATOM 587 CE2 TRP A 600 5.930 -7.764 8.558 1.00 31.15 C ATOM 588 CE3 TRP A 600 8.221 -7.304 9.167 1.00 54.23 C ATOM 589 CZ2 TRP A 600 5.649 -8.277 9.821 1.00 71.53 C ATOM 590 CZ3 TRP A 600 7.941 -7.813 10.421 1.00 41.54 C ATOM 591 CH2 TRP A 600 6.664 -8.295 10.738 1.00 51.43 C ATOM 0 H TRP A 600 7.830 -8.492 5.160 1.00 44.30 H new ATOM 0 HA TRP A 600 7.280 -5.939 4.142 1.00 22.00 H new ATOM 0 HB2 TRP A 600 9.193 -6.619 6.400 1.00 10.12 H new ATOM 0 HB3 TRP A 600 8.255 -5.152 6.204 1.00 10.12 H new ATOM 0 HD1 TRP A 600 5.465 -6.841 5.454 1.00 53.24 H new ATOM 0 HE1 TRP A 600 4.138 -7.892 7.410 1.00 52.35 H new ATOM 0 HE3 TRP A 600 9.209 -6.937 8.931 1.00 54.23 H new ATOM 0 HZ2 TRP A 600 4.665 -8.647 10.068 1.00 71.53 H new ATOM 0 HZ3 TRP A 600 8.719 -7.840 11.169 1.00 41.54 H new ATOM 0 HH2 TRP A 600 6.477 -8.689 11.726 1.00 51.43 H new ATOM 601 N ARG A 601 10.469 -6.815 4.027 1.00 2.20 N ATOM 602 CA ARG A 601 11.746 -6.499 3.400 1.00 13.23 C ATOM 603 C ARG A 601 11.584 -6.332 1.892 1.00 65.44 C ATOM 604 O ARG A 601 12.071 -5.363 1.309 1.00 12.04 O ATOM 605 CB ARG A 601 12.770 -7.597 3.695 1.00 4.21 C ATOM 606 CG ARG A 601 13.229 -7.626 5.144 1.00 65.32 C ATOM 607 CD ARG A 601 14.649 -8.159 5.266 1.00 33.10 C ATOM 608 NE ARG A 601 14.740 -9.567 4.890 1.00 12.43 N ATOM 609 CZ ARG A 601 15.806 -10.323 5.128 1.00 43.30 C ATOM 610 NH1 ARG A 601 16.866 -9.809 5.737 1.00 25.22 N ATOM 611 NH2 ARG A 601 15.813 -11.597 4.756 1.00 44.01 N ATOM 0 H ARG A 601 10.485 -7.644 4.620 1.00 2.20 H new ATOM 0 HA ARG A 601 12.103 -5.557 3.817 1.00 13.23 H new ATOM 0 HB2 ARG A 601 12.337 -8.564 3.440 1.00 4.21 H new ATOM 0 HB3 ARG A 601 13.638 -7.456 3.050 1.00 4.21 H new ATOM 0 HG2 ARG A 601 13.179 -6.621 5.563 1.00 65.32 H new ATOM 0 HG3 ARG A 601 12.553 -8.250 5.729 1.00 65.32 H new ATOM 0 HD2 ARG A 601 15.312 -7.571 4.632 1.00 33.10 H new ATOM 0 HD3 ARG A 601 14.996 -8.035 6.292 1.00 33.10 H new ATOM 0 HE ARG A 601 13.942 -9.993 4.419 1.00 12.43 H new ATOM 0 HH11 ARG A 601 16.864 -8.830 6.024 1.00 25.22 H new ATOM 0 HH12 ARG A 601 17.683 -10.392 5.918 1.00 25.22 H new ATOM 0 HH21 ARG A 601 15.000 -11.996 4.287 1.00 44.01 H new ATOM 0 HH22 ARG A 601 16.632 -12.177 4.939 1.00 44.01 H new ATOM 622 N ASP A 602 10.898 -7.282 1.267 1.00 30.13 N ATOM 623 CA ASP A 602 10.671 -7.240 -0.173 1.00 73.11 C ATOM 624 C ASP A 602 9.796 -6.050 -0.551 1.00 21.30 C ATOM 625 O ASP A 602 9.999 -5.421 -1.590 1.00 72.20 O ATOM 626 CB ASP A 602 10.018 -8.539 -0.646 1.00 44.52 C ATOM 627 CG ASP A 602 10.705 -9.770 -0.088 1.00 42.14 C ATOM 628 OD1 ASP A 602 10.596 -10.009 1.133 1.00 63.23 O ATOM 629 OD2 ASP A 602 11.352 -10.495 -0.872 1.00 70.33 O ATOM 0 H ASP A 602 10.489 -8.091 1.735 1.00 30.13 H new ATOM 0 HA ASP A 602 11.637 -7.128 -0.665 1.00 73.11 H new ATOM 0 HB2 ASP A 602 8.970 -8.545 -0.347 1.00 44.52 H new ATOM 0 HB3 ASP A 602 10.039 -8.577 -1.735 1.00 44.52 H new ATOM 633 N VAL A 603 8.821 -5.744 0.299 1.00 51.52 N ATOM 634 CA VAL A 603 7.915 -4.629 0.055 1.00 4.35 C ATOM 635 C VAL A 603 8.658 -3.299 0.086 1.00 41.32 C ATOM 636 O VAL A 603 8.298 -2.356 -0.618 1.00 4.01 O ATOM 637 CB VAL A 603 6.776 -4.593 1.091 1.00 54.41 C ATOM 638 CG1 VAL A 603 5.985 -3.300 0.972 1.00 23.42 C ATOM 639 CG2 VAL A 603 5.866 -5.801 0.926 1.00 63.14 C ATOM 0 H VAL A 603 8.639 -6.254 1.164 1.00 51.52 H new ATOM 0 HA VAL A 603 7.489 -4.780 -0.937 1.00 4.35 H new ATOM 0 HB VAL A 603 7.215 -4.631 2.088 1.00 54.41 H new ATOM 0 HG11 VAL A 603 5.185 -3.294 1.712 1.00 23.42 H new ATOM 0 HG12 VAL A 603 6.647 -2.451 1.145 1.00 23.42 H new ATOM 0 HG13 VAL A 603 5.556 -3.227 -0.027 1.00 23.42 H new ATOM 0 HG21 VAL A 603 5.067 -5.759 1.666 1.00 63.14 H new ATOM 0 HG22 VAL A 603 5.434 -5.797 -0.075 1.00 63.14 H new ATOM 0 HG23 VAL A 603 6.444 -6.714 1.068 1.00 63.14 H new ATOM 649 N LYS A 604 9.700 -3.230 0.908 1.00 14.33 N ATOM 650 CA LYS A 604 10.497 -2.016 1.033 1.00 71.43 C ATOM 651 C LYS A 604 11.283 -1.748 -0.247 1.00 20.43 C ATOM 652 O LYS A 604 11.259 -0.640 -0.780 1.00 21.51 O ATOM 653 CB LYS A 604 11.458 -2.131 2.219 1.00 45.03 C ATOM 654 CG LYS A 604 11.084 -1.244 3.393 1.00 44.41 C ATOM 655 CD LYS A 604 12.230 -1.115 4.381 1.00 52.15 C ATOM 656 CE LYS A 604 12.622 -2.466 4.961 1.00 32.02 C ATOM 657 NZ LYS A 604 13.261 -2.332 6.300 1.00 22.32 N ATOM 0 H LYS A 604 10.012 -4.001 1.498 1.00 14.33 H new ATOM 0 HA LYS A 604 9.817 -1.181 1.204 1.00 71.43 H new ATOM 0 HB2 LYS A 604 11.487 -3.168 2.553 1.00 45.03 H new ATOM 0 HB3 LYS A 604 12.464 -1.875 1.887 1.00 45.03 H new ATOM 0 HG2 LYS A 604 10.803 -0.256 3.029 1.00 44.41 H new ATOM 0 HG3 LYS A 604 10.211 -1.657 3.899 1.00 44.41 H new ATOM 0 HD2 LYS A 604 13.091 -0.668 3.884 1.00 52.15 H new ATOM 0 HD3 LYS A 604 11.942 -0.441 5.188 1.00 52.15 H new ATOM 0 HE2 LYS A 604 11.737 -3.096 5.043 1.00 32.02 H new ATOM 0 HE3 LYS A 604 13.309 -2.968 4.280 1.00 32.02 H new ATOM 0 HZ1 LYS A 604 14.022 -3.035 6.394 1.00 22.32 H new ATOM 0 HZ2 LYS A 604 13.659 -1.376 6.401 1.00 22.32 H new ATOM 0 HZ3 LYS A 604 12.549 -2.491 7.042 1.00 22.32 H new ATOM 667 N MET A 605 11.977 -2.771 -0.735 1.00 23.20 N ATOM 668 CA MET A 605 12.767 -2.645 -1.954 1.00 64.24 C ATOM 669 C MET A 605 11.866 -2.592 -3.183 1.00 25.45 C ATOM 670 O MET A 605 12.196 -1.948 -4.179 1.00 22.53 O ATOM 671 CB MET A 605 13.747 -3.815 -2.076 1.00 24.22 C ATOM 672 CG MET A 605 14.698 -3.936 -0.896 1.00 4.15 C ATOM 673 SD MET A 605 16.129 -2.850 -1.045 1.00 40.33 S ATOM 674 CE MET A 605 17.379 -4.010 -1.594 1.00 12.03 C ATOM 0 H MET A 605 12.008 -3.696 -0.305 1.00 23.20 H new ATOM 0 HA MET A 605 13.330 -1.713 -1.897 1.00 64.24 H new ATOM 0 HB2 MET A 605 13.183 -4.742 -2.174 1.00 24.22 H new ATOM 0 HB3 MET A 605 14.329 -3.698 -2.990 1.00 24.22 H new ATOM 0 HG2 MET A 605 14.162 -3.701 0.023 1.00 4.15 H new ATOM 0 HG3 MET A 605 15.037 -4.968 -0.812 1.00 4.15 H new ATOM 0 HE1 MET A 605 18.325 -3.487 -1.731 1.00 12.03 H new ATOM 0 HE2 MET A 605 17.502 -4.793 -0.846 1.00 12.03 H new ATOM 0 HE3 MET A 605 17.071 -4.457 -2.539 1.00 12.03 H new ATOM 682 N ARG A 606 10.727 -3.273 -3.107 1.00 21.11 N ATOM 683 CA ARG A 606 9.779 -3.304 -4.214 1.00 11.24 C ATOM 684 C ARG A 606 9.052 -1.969 -4.344 1.00 3.04 C ATOM 685 O ARG A 606 8.834 -1.475 -5.450 1.00 12.44 O ATOM 686 CB ARG A 606 8.765 -4.432 -4.014 1.00 13.21 C ATOM 687 CG ARG A 606 7.575 -4.354 -4.955 1.00 45.22 C ATOM 688 CD ARG A 606 8.014 -4.352 -6.411 1.00 45.25 C ATOM 689 NE ARG A 606 8.723 -5.578 -6.770 1.00 24.11 N ATOM 690 CZ ARG A 606 9.485 -5.697 -7.852 1.00 53.40 C ATOM 691 NH1 ARG A 606 9.636 -4.669 -8.676 1.00 45.41 N ATOM 692 NH2 ARG A 606 10.097 -6.845 -8.111 1.00 33.01 N ATOM 0 H ARG A 606 10.438 -3.811 -2.290 1.00 21.11 H new ATOM 0 HA ARG A 606 10.337 -3.485 -5.133 1.00 11.24 H new ATOM 0 HB2 ARG A 606 9.267 -5.389 -4.155 1.00 13.21 H new ATOM 0 HB3 ARG A 606 8.406 -4.408 -2.985 1.00 13.21 H new ATOM 0 HG2 ARG A 606 6.912 -5.200 -4.775 1.00 45.22 H new ATOM 0 HG3 ARG A 606 7.003 -3.450 -4.745 1.00 45.22 H new ATOM 0 HD2 ARG A 606 7.141 -4.237 -7.053 1.00 45.25 H new ATOM 0 HD3 ARG A 606 8.659 -3.493 -6.594 1.00 45.25 H new ATOM 0 HE ARG A 606 8.628 -6.387 -6.156 1.00 24.11 H new ATOM 0 HH11 ARG A 606 9.167 -3.785 -8.480 1.00 45.41 H new ATOM 0 HH12 ARG A 606 10.221 -4.762 -9.506 1.00 45.41 H new ATOM 0 HH21 ARG A 606 9.983 -7.638 -7.479 1.00 33.01 H new ATOM 0 HH22 ARG A 606 10.682 -6.935 -8.942 1.00 33.01 H new ATOM 703 N ALA A 607 8.678 -1.391 -3.207 1.00 10.04 N ATOM 704 CA ALA A 607 7.976 -0.113 -3.195 1.00 54.54 C ATOM 705 C ALA A 607 8.958 1.051 -3.110 1.00 42.33 C ATOM 706 O ALA A 607 9.133 1.798 -4.072 1.00 32.51 O ATOM 707 CB ALA A 607 6.994 -0.063 -2.033 1.00 23.14 C ATOM 0 H ALA A 607 8.849 -1.787 -2.283 1.00 10.04 H new ATOM 0 HA ALA A 607 7.423 -0.020 -4.130 1.00 54.54 H new ATOM 0 HB1 ALA A 607 6.476 0.896 -2.035 1.00 23.14 H new ATOM 0 HB2 ALA A 607 6.267 -0.868 -2.136 1.00 23.14 H new ATOM 0 HB3 ALA A 607 7.535 -0.181 -1.094 1.00 23.14 H new ATOM 713 N PHE A 608 9.595 1.200 -1.953 1.00 45.42 N ATOM 714 CA PHE A 608 10.558 2.274 -1.743 1.00 31.25 C ATOM 715 C PHE A 608 11.833 2.026 -2.544 1.00 41.21 C ATOM 716 O PHE A 608 12.460 0.972 -2.423 1.00 11.32 O ATOM 717 CB PHE A 608 10.892 2.404 -0.257 1.00 74.24 C ATOM 718 CG PHE A 608 9.695 2.689 0.605 1.00 62.25 C ATOM 719 CD1 PHE A 608 8.877 1.658 1.038 1.00 13.44 C ATOM 720 CD2 PHE A 608 9.388 3.987 0.981 1.00 73.23 C ATOM 721 CE1 PHE A 608 7.775 1.917 1.831 1.00 21.02 C ATOM 722 CE2 PHE A 608 8.288 4.251 1.774 1.00 42.04 C ATOM 723 CZ PHE A 608 7.479 3.215 2.198 1.00 43.33 C ATOM 0 H PHE A 608 9.461 0.590 -1.146 1.00 45.42 H new ATOM 0 HA PHE A 608 10.108 3.205 -2.089 1.00 31.25 H new ATOM 0 HB2 PHE A 608 11.363 1.482 0.083 1.00 74.24 H new ATOM 0 HB3 PHE A 608 11.622 3.202 -0.126 1.00 74.24 H new ATOM 0 HD1 PHE A 608 9.103 0.641 0.753 1.00 13.44 H new ATOM 0 HD2 PHE A 608 10.016 4.801 0.650 1.00 73.23 H new ATOM 0 HE1 PHE A 608 7.146 1.105 2.163 1.00 21.02 H new ATOM 0 HE2 PHE A 608 8.061 5.267 2.062 1.00 42.04 H new ATOM 0 HZ PHE A 608 6.617 3.420 2.815 1.00 43.33 H new ATOM 732 N ASP A 609 12.211 3.003 -3.361 1.00 44.34 N ATOM 733 CA ASP A 609 13.412 2.891 -4.182 1.00 14.30 C ATOM 734 C ASP A 609 14.668 2.986 -3.321 1.00 62.13 C ATOM 735 O ASP A 609 15.680 2.349 -3.610 1.00 1.42 O ATOM 736 CB ASP A 609 13.428 3.984 -5.251 1.00 71.01 C ATOM 737 CG ASP A 609 14.162 3.555 -6.506 1.00 72.24 C ATOM 738 OD1 ASP A 609 13.755 2.546 -7.117 1.00 3.40 O ATOM 739 OD2 ASP A 609 15.146 4.231 -6.877 1.00 3.41 O ATOM 0 H ASP A 609 11.704 3.881 -3.473 1.00 44.34 H new ATOM 0 HA ASP A 609 13.400 1.917 -4.670 1.00 14.30 H new ATOM 0 HB2 ASP A 609 12.403 4.253 -5.507 1.00 71.01 H new ATOM 0 HB3 ASP A 609 13.900 4.878 -4.845 1.00 71.01 H new ATOM 743 N ASN A 610 14.596 3.787 -2.263 1.00 31.53 N ATOM 744 CA ASN A 610 15.728 3.968 -1.362 1.00 40.33 C ATOM 745 C ASN A 610 15.435 3.363 0.008 1.00 30.11 C ATOM 746 O ASN A 610 15.187 4.083 0.975 1.00 61.15 O ATOM 747 CB ASN A 610 16.060 5.453 -1.215 1.00 21.34 C ATOM 748 CG ASN A 610 16.710 6.027 -2.460 1.00 3.53 C ATOM 749 OD1 ASN A 610 16.175 6.942 -3.087 1.00 75.44 O ATOM 750 ND2 ASN A 610 17.867 5.488 -2.824 1.00 3.04 N ATOM 0 H ASN A 610 13.765 4.321 -2.009 1.00 31.53 H new ATOM 0 HA ASN A 610 16.587 3.453 -1.792 1.00 40.33 H new ATOM 0 HB2 ASN A 610 15.147 6.007 -0.997 1.00 21.34 H new ATOM 0 HB3 ASN A 610 16.727 5.591 -0.364 1.00 21.34 H new ATOM 0 HD21 ASN A 610 18.350 5.831 -3.654 1.00 3.04 H new ATOM 0 HD22 ASN A 610 18.273 4.731 -2.273 1.00 3.04 H new ATOM 756 N ALA A 611 15.464 2.036 0.082 1.00 13.32 N ATOM 757 CA ALA A 611 15.203 1.335 1.334 1.00 22.40 C ATOM 758 C ALA A 611 16.473 0.684 1.872 1.00 24.03 C ATOM 759 O ALA A 611 16.519 -0.529 2.078 1.00 72.53 O ATOM 760 CB ALA A 611 14.115 0.291 1.136 1.00 3.12 C ATOM 0 H ALA A 611 15.665 1.425 -0.710 1.00 13.32 H new ATOM 0 HA ALA A 611 14.861 2.065 2.068 1.00 22.40 H new ATOM 0 HB1 ALA A 611 13.930 -0.225 2.078 1.00 3.12 H new ATOM 0 HB2 ALA A 611 13.199 0.779 0.803 1.00 3.12 H new ATOM 0 HB3 ALA A 611 14.435 -0.430 0.384 1.00 3.12 H new ATOM 766 N ASP A 612 17.499 1.496 2.097 1.00 1.22 N ATOM 767 CA ASP A 612 18.769 0.999 2.613 1.00 63.12 C ATOM 768 C ASP A 612 18.697 0.783 4.121 1.00 34.44 C ATOM 769 O ASP A 612 18.769 -0.348 4.602 1.00 5.01 O ATOM 770 CB ASP A 612 19.898 1.976 2.278 1.00 3.44 C ATOM 771 CG ASP A 612 21.238 1.519 2.819 1.00 25.34 C ATOM 772 OD1 ASP A 612 21.429 0.295 2.976 1.00 44.11 O ATOM 773 OD2 ASP A 612 22.097 2.386 3.083 1.00 61.24 O ATOM 0 H ASP A 612 17.476 2.502 1.930 1.00 1.22 H new ATOM 0 HA ASP A 612 18.975 0.040 2.137 1.00 63.12 H new ATOM 0 HB2 ASP A 612 19.966 2.091 1.196 1.00 3.44 H new ATOM 0 HB3 ASP A 612 19.659 2.957 2.688 1.00 3.44 H new ATOM 777 N HIS A 613 18.554 1.877 4.863 1.00 73.45 N ATOM 778 CA HIS A 613 18.472 1.808 6.318 1.00 74.44 C ATOM 779 C HIS A 613 17.075 2.183 6.803 1.00 64.31 C ATOM 780 O HIS A 613 16.911 2.710 7.903 1.00 3.44 O ATOM 781 CB HIS A 613 19.511 2.733 6.953 1.00 14.13 C ATOM 782 CG HIS A 613 19.909 2.326 8.338 1.00 14.00 C ATOM 783 ND1 HIS A 613 21.013 1.542 8.604 1.00 23.44 N ATOM 784 CD2 HIS A 613 19.346 2.600 9.537 1.00 54.14 C ATOM 785 CE1 HIS A 613 21.110 1.350 9.907 1.00 32.53 C ATOM 786 NE2 HIS A 613 20.110 1.982 10.497 1.00 72.33 N ATOM 0 H HIS A 613 18.493 2.821 4.481 1.00 73.45 H new ATOM 0 HA HIS A 613 18.678 0.781 6.620 1.00 74.44 H new ATOM 0 HB2 HIS A 613 20.399 2.757 6.321 1.00 14.13 H new ATOM 0 HB3 HIS A 613 19.113 3.747 6.982 1.00 14.13 H new ATOM 0 HD2 HIS A 613 18.460 3.194 9.708 1.00 54.14 H new ATOM 0 HE1 HIS A 613 21.876 0.775 10.406 1.00 32.53 H new ATOM 0 HE2 HIS A 613 19.934 2.007 11.501 1.00 72.33 H new ATOM 793 N ARG A 614 16.074 1.910 5.973 1.00 5.44 N ATOM 794 CA ARG A 614 14.691 2.221 6.316 1.00 43.05 C ATOM 795 C ARG A 614 14.101 1.145 7.225 1.00 23.01 C ATOM 796 O ARG A 614 14.554 0.000 7.226 1.00 31.32 O ATOM 797 CB ARG A 614 13.845 2.351 5.048 1.00 71.13 C ATOM 798 CG ARG A 614 12.605 3.210 5.228 1.00 55.14 C ATOM 799 CD ARG A 614 11.940 3.517 3.896 1.00 63.01 C ATOM 800 NE ARG A 614 12.744 4.419 3.077 1.00 54.24 N ATOM 801 CZ ARG A 614 12.884 5.716 3.333 1.00 44.11 C ATOM 802 NH1 ARG A 614 12.275 6.258 4.378 1.00 60.52 N ATOM 803 NH2 ARG A 614 13.634 6.471 2.541 1.00 25.55 N ATOM 0 H ARG A 614 16.194 1.474 5.059 1.00 5.44 H new ATOM 0 HA ARG A 614 14.681 3.171 6.851 1.00 43.05 H new ATOM 0 HB2 ARG A 614 14.459 2.776 4.254 1.00 71.13 H new ATOM 0 HB3 ARG A 614 13.543 1.357 4.720 1.00 71.13 H new ATOM 0 HG2 ARG A 614 11.897 2.697 5.879 1.00 55.14 H new ATOM 0 HG3 ARG A 614 12.876 4.142 5.724 1.00 55.14 H new ATOM 0 HD2 ARG A 614 11.772 2.587 3.352 1.00 63.01 H new ATOM 0 HD3 ARG A 614 10.962 3.964 4.074 1.00 63.01 H new ATOM 0 HE ARG A 614 13.224 4.033 2.264 1.00 54.24 H new ATOM 0 HH11 ARG A 614 11.697 5.680 4.988 1.00 60.52 H new ATOM 0 HH12 ARG A 614 12.384 7.253 4.572 1.00 60.52 H new ATOM 0 HH21 ARG A 614 14.103 6.056 1.736 1.00 25.55 H new ATOM 0 HH22 ARG A 614 13.742 7.466 2.737 1.00 25.55 H new ATOM 814 N THR A 615 13.088 1.522 7.998 1.00 21.22 N ATOM 815 CA THR A 615 12.437 0.592 8.912 1.00 62.24 C ATOM 816 C THR A 615 11.369 -0.227 8.195 1.00 10.13 C ATOM 817 O THR A 615 10.881 0.164 7.134 1.00 55.21 O ATOM 818 CB THR A 615 11.791 1.331 10.099 1.00 4.42 C ATOM 819 OG1 THR A 615 11.073 0.403 10.921 1.00 25.35 O ATOM 820 CG2 THR A 615 10.847 2.419 9.611 1.00 65.41 C ATOM 0 H THR A 615 12.700 2.465 8.009 1.00 21.22 H new ATOM 0 HA THR A 615 13.212 -0.076 9.288 1.00 62.24 H new ATOM 0 HB THR A 615 12.584 1.797 10.684 1.00 4.42 H new ATOM 0 HG1 THR A 615 11.187 0.645 11.864 1.00 25.35 H new ATOM 0 HG21 THR A 615 10.403 2.927 10.467 1.00 65.41 H new ATOM 0 HG22 THR A 615 11.402 3.139 9.010 1.00 65.41 H new ATOM 0 HG23 THR A 615 10.059 1.972 9.006 1.00 65.41 H new ATOM 828 N TYR A 616 11.011 -1.363 8.781 1.00 5.31 N ATOM 829 CA TYR A 616 10.000 -2.239 8.197 1.00 72.53 C ATOM 830 C TYR A 616 8.601 -1.831 8.644 1.00 15.43 C ATOM 831 O TYR A 616 7.606 -2.183 8.011 1.00 35.34 O ATOM 832 CB TYR A 616 10.269 -3.694 8.587 1.00 22.45 C ATOM 833 CG TYR A 616 10.400 -3.907 10.078 1.00 21.41 C ATOM 834 CD1 TYR A 616 9.289 -3.839 10.909 1.00 34.31 C ATOM 835 CD2 TYR A 616 11.635 -4.174 10.655 1.00 44.23 C ATOM 836 CE1 TYR A 616 9.404 -4.031 12.273 1.00 65.25 C ATOM 837 CE2 TYR A 616 11.760 -4.370 12.017 1.00 33.04 C ATOM 838 CZ TYR A 616 10.642 -4.298 12.821 1.00 15.04 C ATOM 839 OH TYR A 616 10.762 -4.491 14.178 1.00 31.10 O ATOM 0 H TYR A 616 11.405 -1.700 9.660 1.00 5.31 H new ATOM 0 HA TYR A 616 10.056 -2.144 7.113 1.00 72.53 H new ATOM 0 HB2 TYR A 616 9.459 -4.318 8.209 1.00 22.45 H new ATOM 0 HB3 TYR A 616 11.184 -4.029 8.099 1.00 22.45 H new ATOM 0 HD1 TYR A 616 8.319 -3.633 10.482 1.00 34.31 H new ATOM 0 HD2 TYR A 616 12.513 -4.229 10.028 1.00 44.23 H new ATOM 0 HE1 TYR A 616 8.531 -3.972 12.906 1.00 65.25 H new ATOM 0 HE2 TYR A 616 12.728 -4.578 12.449 1.00 33.04 H new ATOM 0 HH TYR A 616 11.699 -4.670 14.401 1.00 31.10 H new ATOM 848 N VAL A 617 8.532 -1.084 9.743 1.00 25.25 N ATOM 849 CA VAL A 617 7.256 -0.625 10.276 1.00 14.24 C ATOM 850 C VAL A 617 6.642 0.449 9.386 1.00 3.21 C ATOM 851 O VAL A 617 5.420 0.543 9.260 1.00 54.23 O ATOM 852 CB VAL A 617 7.413 -0.066 11.703 1.00 5.55 C ATOM 853 CG1 VAL A 617 8.314 1.159 11.701 1.00 31.02 C ATOM 854 CG2 VAL A 617 6.052 0.265 12.297 1.00 14.35 C ATOM 0 H VAL A 617 9.346 -0.785 10.280 1.00 25.25 H new ATOM 0 HA VAL A 617 6.595 -1.491 10.303 1.00 14.24 H new ATOM 0 HB VAL A 617 7.880 -0.830 12.324 1.00 5.55 H new ATOM 0 HG11 VAL A 617 8.413 1.540 12.718 1.00 31.02 H new ATOM 0 HG12 VAL A 617 9.298 0.887 11.318 1.00 31.02 H new ATOM 0 HG13 VAL A 617 7.878 1.930 11.066 1.00 31.02 H new ATOM 0 HG21 VAL A 617 6.181 0.659 13.305 1.00 14.35 H new ATOM 0 HG22 VAL A 617 5.556 1.012 11.677 1.00 14.35 H new ATOM 0 HG23 VAL A 617 5.442 -0.638 12.335 1.00 14.35 H new ATOM 864 N ASP A 618 7.496 1.258 8.769 1.00 61.53 N ATOM 865 CA ASP A 618 7.039 2.326 7.888 1.00 11.12 C ATOM 866 C ASP A 618 6.072 1.786 6.837 1.00 71.41 C ATOM 867 O ASP A 618 4.981 2.326 6.647 1.00 65.22 O ATOM 868 CB ASP A 618 8.230 2.999 7.205 1.00 54.53 C ATOM 869 CG ASP A 618 8.630 4.294 7.883 1.00 72.11 C ATOM 870 OD1 ASP A 618 8.269 4.482 9.064 1.00 65.01 O ATOM 871 OD2 ASP A 618 9.304 5.122 7.234 1.00 3.10 O ATOM 0 H ASP A 618 8.510 1.194 8.863 1.00 61.53 H new ATOM 0 HA ASP A 618 6.514 3.064 8.495 1.00 11.12 H new ATOM 0 HB2 ASP A 618 9.079 2.315 7.205 1.00 54.53 H new ATOM 0 HB3 ASP A 618 7.982 3.200 6.163 1.00 54.53 H new ATOM 875 N LEU A 619 6.481 0.722 6.157 1.00 45.21 N ATOM 876 CA LEU A 619 5.652 0.109 5.124 1.00 73.42 C ATOM 877 C LEU A 619 4.456 -0.608 5.740 1.00 12.51 C ATOM 878 O LEU A 619 3.387 -0.689 5.134 1.00 14.12 O ATOM 879 CB LEU A 619 6.480 -0.874 4.295 1.00 41.31 C ATOM 880 CG LEU A 619 6.645 -2.276 4.884 1.00 21.14 C ATOM 881 CD1 LEU A 619 5.530 -3.192 4.402 1.00 22.15 C ATOM 882 CD2 LEU A 619 8.005 -2.852 4.518 1.00 1.23 C ATOM 0 H LEU A 619 7.381 0.265 6.301 1.00 45.21 H new ATOM 0 HA LEU A 619 5.281 0.901 4.473 1.00 73.42 H new ATOM 0 HB2 LEU A 619 6.019 -0.967 3.311 1.00 41.31 H new ATOM 0 HB3 LEU A 619 7.471 -0.446 4.144 1.00 41.31 H new ATOM 0 HG LEU A 619 6.584 -2.202 5.970 1.00 21.14 H new ATOM 0 HD11 LEU A 619 5.664 -4.185 4.831 1.00 22.15 H new ATOM 0 HD12 LEU A 619 4.567 -2.788 4.714 1.00 22.15 H new ATOM 0 HD13 LEU A 619 5.559 -3.260 3.315 1.00 22.15 H new ATOM 0 HD21 LEU A 619 8.105 -3.850 4.946 1.00 1.23 H new ATOM 0 HD22 LEU A 619 8.095 -2.911 3.433 1.00 1.23 H new ATOM 0 HD23 LEU A 619 8.791 -2.208 4.913 1.00 1.23 H new ATOM 893 N LYS A 620 4.642 -1.127 6.949 1.00 2.52 N ATOM 894 CA LYS A 620 3.578 -1.835 7.651 1.00 64.10 C ATOM 895 C LYS A 620 2.422 -0.895 7.976 1.00 11.52 C ATOM 896 O LYS A 620 1.256 -1.284 7.909 1.00 11.54 O ATOM 897 CB LYS A 620 4.117 -2.463 8.937 1.00 13.41 C ATOM 898 CG LYS A 620 3.401 -3.741 9.338 1.00 13.32 C ATOM 899 CD LYS A 620 2.111 -3.447 10.087 1.00 64.20 C ATOM 900 CE LYS A 620 1.671 -4.635 10.927 1.00 74.05 C ATOM 901 NZ LYS A 620 2.501 -4.784 12.155 1.00 54.52 N ATOM 0 H LYS A 620 5.521 -1.070 7.464 1.00 2.52 H new ATOM 0 HA LYS A 620 3.208 -2.625 6.997 1.00 64.10 H new ATOM 0 HB2 LYS A 620 5.178 -2.676 8.810 1.00 13.41 H new ATOM 0 HB3 LYS A 620 4.032 -1.739 9.748 1.00 13.41 H new ATOM 0 HG2 LYS A 620 3.180 -4.330 8.448 1.00 13.32 H new ATOM 0 HG3 LYS A 620 4.057 -4.345 9.965 1.00 13.32 H new ATOM 0 HD2 LYS A 620 2.252 -2.578 10.730 1.00 64.20 H new ATOM 0 HD3 LYS A 620 1.326 -3.193 9.375 1.00 64.20 H new ATOM 0 HE2 LYS A 620 0.625 -4.513 11.208 1.00 74.05 H new ATOM 0 HE3 LYS A 620 1.737 -5.545 10.331 1.00 74.05 H new ATOM 0 HZ1 LYS A 620 2.060 -5.480 12.789 1.00 54.52 H new ATOM 0 HZ2 LYS A 620 3.454 -5.109 11.893 1.00 54.52 H new ATOM 0 HZ3 LYS A 620 2.569 -3.867 12.641 1.00 54.52 H new ATOM 911 N ASP A 621 2.753 0.342 8.328 1.00 14.42 N ATOM 912 CA ASP A 621 1.741 1.338 8.662 1.00 0.02 C ATOM 913 C ASP A 621 0.991 1.792 7.413 1.00 41.13 C ATOM 914 O ASP A 621 -0.237 1.883 7.412 1.00 62.05 O ATOM 915 CB ASP A 621 2.387 2.542 9.349 1.00 62.44 C ATOM 916 CG ASP A 621 1.365 3.472 9.972 1.00 52.43 C ATOM 917 OD1 ASP A 621 0.843 3.136 11.056 1.00 34.24 O ATOM 918 OD2 ASP A 621 1.085 4.533 9.377 1.00 63.54 O ATOM 0 H ASP A 621 3.714 0.679 8.390 1.00 14.42 H new ATOM 0 HA ASP A 621 1.027 0.879 9.346 1.00 0.02 H new ATOM 0 HB2 ASP A 621 3.072 2.191 10.121 1.00 62.44 H new ATOM 0 HB3 ASP A 621 2.981 3.095 8.622 1.00 62.44 H new ATOM 922 N LYS A 622 1.739 2.075 6.352 1.00 31.21 N ATOM 923 CA LYS A 622 1.146 2.520 5.096 1.00 65.44 C ATOM 924 C LYS A 622 0.098 1.526 4.607 1.00 42.51 C ATOM 925 O LYS A 622 -0.976 1.917 4.150 1.00 15.41 O ATOM 926 CB LYS A 622 2.231 2.696 4.031 1.00 31.23 C ATOM 927 CG LYS A 622 1.784 3.523 2.838 1.00 3.22 C ATOM 928 CD LYS A 622 2.970 4.045 2.045 1.00 43.34 C ATOM 929 CE LYS A 622 2.586 4.354 0.606 1.00 33.22 C ATOM 930 NZ LYS A 622 3.779 4.646 -0.236 1.00 23.24 N ATOM 0 H LYS A 622 2.756 2.004 6.337 1.00 31.21 H new ATOM 0 HA LYS A 622 0.658 3.479 5.273 1.00 65.44 H new ATOM 0 HB2 LYS A 622 3.101 3.170 4.486 1.00 31.23 H new ATOM 0 HB3 LYS A 622 2.549 1.713 3.683 1.00 31.23 H new ATOM 0 HG2 LYS A 622 1.151 2.916 2.190 1.00 3.22 H new ATOM 0 HG3 LYS A 622 1.178 4.361 3.182 1.00 3.22 H new ATOM 0 HD2 LYS A 622 3.359 4.946 2.520 1.00 43.34 H new ATOM 0 HD3 LYS A 622 3.771 3.306 2.058 1.00 43.34 H new ATOM 0 HE2 LYS A 622 2.043 3.508 0.185 1.00 33.22 H new ATOM 0 HE3 LYS A 622 1.910 5.208 0.586 1.00 33.22 H new ATOM 0 HZ1 LYS A 622 3.479 5.124 -1.110 1.00 23.24 H new ATOM 0 HZ2 LYS A 622 4.432 5.262 0.289 1.00 23.24 H new ATOM 0 HZ3 LYS A 622 4.261 3.756 -0.476 1.00 23.24 H new ATOM 940 N TRP A 623 0.414 0.240 4.709 1.00 73.03 N ATOM 941 CA TRP A 623 -0.502 -0.809 4.279 1.00 44.41 C ATOM 942 C TRP A 623 -1.663 -0.952 5.257 1.00 1.32 C ATOM 943 O TRP A 623 -2.820 -1.073 4.850 1.00 73.40 O ATOM 944 CB TRP A 623 0.239 -2.142 4.151 1.00 14.21 C ATOM 945 CG TRP A 623 -0.585 -3.323 4.567 1.00 71.53 C ATOM 946 CD1 TRP A 623 -1.765 -3.733 4.016 1.00 42.33 C ATOM 947 CD2 TRP A 623 -0.291 -4.243 5.624 1.00 21.13 C ATOM 948 NE1 TRP A 623 -2.222 -4.855 4.667 1.00 32.34 N ATOM 949 CE2 TRP A 623 -1.335 -5.187 5.657 1.00 3.55 C ATOM 950 CE3 TRP A 623 0.754 -4.363 6.545 1.00 31.51 C ATOM 951 CZ2 TRP A 623 -1.364 -6.234 6.574 1.00 0.11 C ATOM 952 CZ3 TRP A 623 0.724 -5.401 7.455 1.00 4.24 C ATOM 953 CH2 TRP A 623 -0.329 -6.327 7.464 1.00 72.32 C ATOM 0 H TRP A 623 1.298 -0.101 5.086 1.00 73.03 H new ATOM 0 HA TRP A 623 -0.903 -0.529 3.305 1.00 44.41 H new ATOM 0 HB2 TRP A 623 0.556 -2.275 3.117 1.00 14.21 H new ATOM 0 HB3 TRP A 623 1.143 -2.107 4.759 1.00 14.21 H new ATOM 0 HD1 TRP A 623 -2.266 -3.248 3.191 1.00 42.33 H new ATOM 0 HE1 TRP A 623 -3.082 -5.358 4.448 1.00 32.34 H new ATOM 0 HE3 TRP A 623 1.571 -3.656 6.545 1.00 31.51 H new ATOM 0 HZ2 TRP A 623 -2.175 -6.948 6.583 1.00 0.11 H new ATOM 0 HZ3 TRP A 623 1.525 -5.501 8.172 1.00 4.24 H new ATOM 0 HH2 TRP A 623 -0.323 -7.129 8.187 1.00 72.32 H new ATOM 963 N LYS A 624 -1.350 -0.938 6.548 1.00 32.54 N ATOM 964 CA LYS A 624 -2.368 -1.063 7.585 1.00 64.14 C ATOM 965 C LYS A 624 -3.431 0.019 7.438 1.00 33.45 C ATOM 966 O LYS A 624 -4.628 -0.254 7.524 1.00 3.34 O ATOM 967 CB LYS A 624 -1.725 -0.979 8.971 1.00 33.23 C ATOM 968 CG LYS A 624 -2.585 -1.566 10.077 1.00 3.13 C ATOM 969 CD LYS A 624 -3.483 -0.514 10.704 1.00 33.35 C ATOM 970 CE LYS A 624 -2.762 0.249 11.805 1.00 75.11 C ATOM 971 NZ LYS A 624 -3.712 0.804 12.809 1.00 22.13 N ATOM 0 H LYS A 624 -0.398 -0.841 6.902 1.00 32.54 H new ATOM 0 HA LYS A 624 -2.849 -2.035 7.473 1.00 64.14 H new ATOM 0 HB2 LYS A 624 -0.768 -1.501 8.951 1.00 33.23 H new ATOM 0 HB3 LYS A 624 -1.514 0.065 9.202 1.00 33.23 H new ATOM 0 HG2 LYS A 624 -3.196 -2.374 9.674 1.00 3.13 H new ATOM 0 HG3 LYS A 624 -1.945 -2.003 10.844 1.00 3.13 H new ATOM 0 HD2 LYS A 624 -3.819 0.183 9.937 1.00 33.35 H new ATOM 0 HD3 LYS A 624 -4.373 -0.991 11.113 1.00 33.35 H new ATOM 0 HE2 LYS A 624 -2.054 -0.414 12.303 1.00 75.11 H new ATOM 0 HE3 LYS A 624 -2.183 1.061 11.365 1.00 75.11 H new ATOM 0 HZ1 LYS A 624 -3.182 1.317 13.542 1.00 22.13 H new ATOM 0 HZ2 LYS A 624 -4.372 1.456 12.339 1.00 22.13 H new ATOM 0 HZ3 LYS A 624 -4.247 0.027 13.248 1.00 22.13 H new ATOM 981 N THR A 625 -2.986 1.253 7.214 1.00 72.15 N ATOM 982 CA THR A 625 -3.899 2.377 7.055 1.00 75.43 C ATOM 983 C THR A 625 -4.626 2.311 5.717 1.00 4.40 C ATOM 984 O THR A 625 -5.755 2.788 5.588 1.00 64.34 O ATOM 985 CB THR A 625 -3.155 3.723 7.156 1.00 22.25 C ATOM 986 OG1 THR A 625 -4.098 4.800 7.215 1.00 21.32 O ATOM 987 CG2 THR A 625 -2.228 3.919 5.966 1.00 22.33 C ATOM 0 H THR A 625 -1.999 1.498 7.139 1.00 72.15 H new ATOM 0 HA THR A 625 -4.627 2.310 7.864 1.00 75.43 H new ATOM 0 HB THR A 625 -2.555 3.715 8.066 1.00 22.25 H new ATOM 0 HG1 THR A 625 -4.877 4.525 7.743 1.00 21.32 H new ATOM 0 HG21 THR A 625 -1.714 4.876 6.059 1.00 22.33 H new ATOM 0 HG22 THR A 625 -1.494 3.113 5.940 1.00 22.33 H new ATOM 0 HG23 THR A 625 -2.811 3.909 5.045 1.00 22.33 H new ATOM 995 N LEU A 626 -3.975 1.714 4.725 1.00 72.40 N ATOM 996 CA LEU A 626 -4.561 1.583 3.395 1.00 33.21 C ATOM 997 C LEU A 626 -5.807 0.704 3.433 1.00 34.13 C ATOM 998 O LEU A 626 -6.885 1.118 3.007 1.00 53.23 O ATOM 999 CB LEU A 626 -3.537 0.997 2.421 1.00 5.23 C ATOM 1000 CG LEU A 626 -3.253 1.824 1.167 1.00 31.02 C ATOM 1001 CD1 LEU A 626 -1.985 1.339 0.484 1.00 44.22 C ATOM 1002 CD2 LEU A 626 -4.434 1.764 0.209 1.00 1.20 C ATOM 0 H LEU A 626 -3.042 1.313 4.816 1.00 72.40 H new ATOM 0 HA LEU A 626 -4.851 2.576 3.053 1.00 33.21 H new ATOM 0 HB2 LEU A 626 -2.599 0.851 2.956 1.00 5.23 H new ATOM 0 HB3 LEU A 626 -3.883 0.011 2.111 1.00 5.23 H new ATOM 0 HG LEU A 626 -3.106 2.862 1.465 1.00 31.02 H new ATOM 0 HD11 LEU A 626 -1.799 1.939 -0.407 1.00 44.22 H new ATOM 0 HD12 LEU A 626 -1.143 1.436 1.169 1.00 44.22 H new ATOM 0 HD13 LEU A 626 -2.102 0.294 0.199 1.00 44.22 H new ATOM 0 HD21 LEU A 626 -4.214 2.358 -0.678 1.00 1.20 H new ATOM 0 HD22 LEU A 626 -4.613 0.729 -0.083 1.00 1.20 H new ATOM 0 HD23 LEU A 626 -5.322 2.161 0.701 1.00 1.20 H new ATOM 1013 N VAL A 627 -5.651 -0.512 3.947 1.00 14.12 N ATOM 1014 CA VAL A 627 -6.763 -1.449 4.044 1.00 5.14 C ATOM 1015 C VAL A 627 -7.890 -0.879 4.899 1.00 22.12 C ATOM 1016 O VAL A 627 -9.063 -0.960 4.533 1.00 12.43 O ATOM 1017 CB VAL A 627 -6.313 -2.796 4.640 1.00 74.23 C ATOM 1018 CG1 VAL A 627 -5.593 -2.581 5.962 1.00 15.13 C ATOM 1019 CG2 VAL A 627 -7.504 -3.725 4.817 1.00 12.14 C ATOM 0 H VAL A 627 -4.765 -0.871 4.303 1.00 14.12 H new ATOM 0 HA VAL A 627 -7.127 -1.613 3.030 1.00 5.14 H new ATOM 0 HB VAL A 627 -5.616 -3.265 3.946 1.00 74.23 H new ATOM 0 HG11 VAL A 627 -5.283 -3.544 6.368 1.00 15.13 H new ATOM 0 HG12 VAL A 627 -4.715 -1.955 5.801 1.00 15.13 H new ATOM 0 HG13 VAL A 627 -6.264 -2.090 6.666 1.00 15.13 H new ATOM 0 HG21 VAL A 627 -7.167 -4.672 5.239 1.00 12.14 H new ATOM 0 HG22 VAL A 627 -8.228 -3.265 5.490 1.00 12.14 H new ATOM 0 HG23 VAL A 627 -7.972 -3.905 3.849 1.00 12.14 H new ATOM 1029 N HIS A 628 -7.525 -0.300 6.039 1.00 41.43 N ATOM 1030 CA HIS A 628 -8.505 0.285 6.946 1.00 12.31 C ATOM 1031 C HIS A 628 -9.266 1.419 6.266 1.00 51.02 C ATOM 1032 O HIS A 628 -10.405 1.719 6.624 1.00 74.01 O ATOM 1033 CB HIS A 628 -7.817 0.802 8.209 1.00 53.53 C ATOM 1034 CG HIS A 628 -7.593 -0.255 9.247 1.00 44.42 C ATOM 1035 ND1 HIS A 628 -7.604 -1.604 8.959 1.00 52.34 N ATOM 1036 CD2 HIS A 628 -7.352 -0.157 10.575 1.00 31.14 C ATOM 1037 CE1 HIS A 628 -7.379 -2.289 10.067 1.00 41.20 C ATOM 1038 NE2 HIS A 628 -7.223 -1.434 11.062 1.00 21.41 N ATOM 0 H HIS A 628 -6.558 -0.224 6.356 1.00 41.43 H new ATOM 0 HA HIS A 628 -9.218 -0.492 7.222 1.00 12.31 H new ATOM 0 HB2 HIS A 628 -6.857 1.240 7.936 1.00 53.53 H new ATOM 0 HB3 HIS A 628 -8.421 1.600 8.640 1.00 53.53 H new ATOM 0 HD2 HIS A 628 -7.275 0.757 11.146 1.00 31.14 H new ATOM 0 HE1 HIS A 628 -7.331 -3.365 10.146 1.00 41.20 H new ATOM 0 HE2 HIS A 628 -7.037 -1.682 12.034 1.00 21.41 H new ATOM 1045 N THR A 629 -8.628 2.048 5.284 1.00 61.24 N ATOM 1046 CA THR A 629 -9.242 3.150 4.556 1.00 70.52 C ATOM 1047 C THR A 629 -10.235 2.638 3.519 1.00 22.34 C ATOM 1048 O THR A 629 -11.210 3.315 3.192 1.00 64.05 O ATOM 1049 CB THR A 629 -8.183 4.018 3.850 1.00 70.05 C ATOM 1050 OG1 THR A 629 -7.548 4.883 4.798 1.00 23.34 O ATOM 1051 CG2 THR A 629 -8.813 4.846 2.741 1.00 34.21 C ATOM 0 H THR A 629 -7.685 1.812 4.975 1.00 61.24 H new ATOM 0 HA THR A 629 -9.768 3.759 5.291 1.00 70.52 H new ATOM 0 HB THR A 629 -7.438 3.356 3.408 1.00 70.05 H new ATOM 0 HG1 THR A 629 -6.834 4.395 5.259 1.00 23.34 H new ATOM 0 HG21 THR A 629 -8.046 5.450 2.257 1.00 34.21 H new ATOM 0 HG22 THR A 629 -9.269 4.183 2.006 1.00 34.21 H new ATOM 0 HG23 THR A 629 -9.576 5.499 3.164 1.00 34.21 H new ATOM 1059 N ALA A 630 -9.983 1.438 3.006 1.00 54.54 N ATOM 1060 CA ALA A 630 -10.856 0.834 2.008 1.00 14.15 C ATOM 1061 C ALA A 630 -12.301 0.793 2.497 1.00 21.23 C ATOM 1062 O ALA A 630 -13.218 1.203 1.786 1.00 24.22 O ATOM 1063 CB ALA A 630 -10.375 -0.567 1.664 1.00 24.43 C ATOM 0 H ALA A 630 -9.180 0.865 3.266 1.00 54.54 H new ATOM 0 HA ALA A 630 -10.820 1.450 1.109 1.00 14.15 H new ATOM 0 HB1 ALA A 630 -11.037 -1.006 0.917 1.00 24.43 H new ATOM 0 HB2 ALA A 630 -9.362 -0.516 1.266 1.00 24.43 H new ATOM 0 HB3 ALA A 630 -10.381 -1.185 2.562 1.00 24.43 H new ATOM 1069 N SER A 631 -12.496 0.295 3.714 1.00 32.53 N ATOM 1070 CA SER A 631 -13.829 0.197 4.295 1.00 20.04 C ATOM 1071 C SER A 631 -13.793 -0.571 5.612 1.00 1.02 C ATOM 1072 O SER A 631 -14.291 -1.693 5.702 1.00 53.33 O ATOM 1073 CB SER A 631 -14.786 -0.489 3.317 1.00 71.12 C ATOM 1074 OG SER A 631 -15.971 -0.908 3.971 1.00 55.02 O ATOM 0 H SER A 631 -11.747 -0.047 4.316 1.00 32.53 H new ATOM 0 HA SER A 631 -14.187 1.207 4.494 1.00 20.04 H new ATOM 0 HB2 SER A 631 -15.037 0.197 2.508 1.00 71.12 H new ATOM 0 HB3 SER A 631 -14.293 -1.349 2.865 1.00 71.12 H new ATOM 0 HG SER A 631 -15.760 -1.629 4.600 1.00 55.02 H new ATOM 1079 N ILE A 632 -13.199 0.041 6.631 1.00 32.24 N ATOM 1080 CA ILE A 632 -13.098 -0.584 7.944 1.00 31.44 C ATOM 1081 C ILE A 632 -13.576 0.362 9.041 1.00 44.44 C ATOM 1082 O ILE A 632 -14.656 0.180 9.603 1.00 62.43 O ATOM 1083 CB ILE A 632 -11.652 -1.018 8.250 1.00 11.13 C ATOM 1084 CG1 ILE A 632 -11.309 -2.299 7.488 1.00 25.13 C ATOM 1085 CG2 ILE A 632 -11.467 -1.220 9.747 1.00 64.45 C ATOM 1086 CD1 ILE A 632 -11.189 -2.099 5.993 1.00 60.41 C ATOM 0 H ILE A 632 -12.780 0.969 6.572 1.00 32.24 H new ATOM 0 HA ILE A 632 -13.738 -1.466 7.924 1.00 31.44 H new ATOM 0 HB ILE A 632 -10.974 -0.230 7.922 1.00 11.13 H new ATOM 0 HG12 ILE A 632 -10.369 -2.699 7.870 1.00 25.13 H new ATOM 0 HG13 ILE A 632 -12.077 -3.047 7.686 1.00 25.13 H new ATOM 0 HG21 ILE A 632 -10.441 -1.527 9.949 1.00 64.45 H new ATOM 0 HG22 ILE A 632 -11.676 -0.286 10.269 1.00 64.45 H new ATOM 0 HG23 ILE A 632 -12.152 -1.992 10.097 1.00 64.45 H new ATOM 0 HD11 ILE A 632 -10.944 -3.049 5.517 1.00 60.41 H new ATOM 0 HD12 ILE A 632 -12.135 -1.729 5.598 1.00 60.41 H new ATOM 0 HD13 ILE A 632 -10.401 -1.375 5.785 1.00 60.41 H new ATOM 1097 N ALA A 633 -12.766 1.372 9.339 1.00 62.11 N ATOM 1098 CA ALA A 633 -13.108 2.348 10.366 1.00 22.41 C ATOM 1099 C ALA A 633 -13.577 3.659 9.743 1.00 74.32 C ATOM 1100 O ALA A 633 -12.980 4.172 8.796 1.00 43.20 O ATOM 1101 CB ALA A 633 -11.916 2.591 11.280 1.00 35.14 C ATOM 0 H ALA A 633 -11.868 1.536 8.884 1.00 62.11 H new ATOM 0 HA ALA A 633 -13.929 1.944 10.958 1.00 22.41 H new ATOM 0 HB1 ALA A 633 -12.185 3.322 12.042 1.00 35.14 H new ATOM 0 HB2 ALA A 633 -11.629 1.655 11.760 1.00 35.14 H new ATOM 0 HB3 ALA A 633 -11.079 2.970 10.693 1.00 35.14 H new ATOM 1107 N PRO A 634 -14.669 4.215 10.285 1.00 1.54 N ATOM 1108 CA PRO A 634 -15.242 5.474 9.797 1.00 43.21 C ATOM 1109 C PRO A 634 -14.357 6.674 10.112 1.00 72.23 C ATOM 1110 O PRO A 634 -14.345 7.659 9.374 1.00 2.10 O ATOM 1111 CB PRO A 634 -16.570 5.575 10.553 1.00 63.40 C ATOM 1112 CG PRO A 634 -16.361 4.778 11.794 1.00 22.11 C ATOM 1113 CD PRO A 634 -15.432 3.658 11.415 1.00 72.44 C ATOM 0 HA PRO A 634 -15.351 5.479 8.713 1.00 43.21 H new ATOM 0 HB2 PRO A 634 -16.816 6.611 10.785 1.00 63.40 H new ATOM 0 HB3 PRO A 634 -17.394 5.177 9.961 1.00 63.40 H new ATOM 0 HG2 PRO A 634 -15.930 5.392 12.584 1.00 22.11 H new ATOM 0 HG3 PRO A 634 -17.307 4.390 12.172 1.00 22.11 H new ATOM 0 HD2 PRO A 634 -14.779 3.380 12.242 1.00 72.44 H new ATOM 0 HD3 PRO A 634 -15.980 2.761 11.126 1.00 72.44 H new ATOM 1118 N GLN A 635 -13.615 6.585 11.212 1.00 4.52 N ATOM 1119 CA GLN A 635 -12.727 7.664 11.624 1.00 65.42 C ATOM 1120 C GLN A 635 -11.463 7.685 10.770 1.00 44.24 C ATOM 1121 O GLN A 635 -10.701 8.650 10.795 1.00 55.03 O ATOM 1122 CB GLN A 635 -12.356 7.514 13.100 1.00 40.32 C ATOM 1123 CG GLN A 635 -11.500 6.291 13.392 1.00 31.54 C ATOM 1124 CD GLN A 635 -11.012 6.250 14.826 1.00 20.32 C ATOM 1125 OE1 GLN A 635 -11.805 6.127 15.761 1.00 22.31 O ATOM 1126 NE2 GLN A 635 -9.701 6.351 15.009 1.00 34.43 N ATOM 0 H GLN A 635 -13.612 5.776 11.833 1.00 4.52 H new ATOM 0 HA GLN A 635 -13.255 8.607 11.484 1.00 65.42 H new ATOM 0 HB2 GLN A 635 -11.821 8.407 13.424 1.00 40.32 H new ATOM 0 HB3 GLN A 635 -13.270 7.457 13.692 1.00 40.32 H new ATOM 0 HG2 GLN A 635 -12.077 5.390 13.183 1.00 31.54 H new ATOM 0 HG3 GLN A 635 -10.642 6.284 12.720 1.00 31.54 H new ATOM 0 HE21 GLN A 635 -9.080 6.451 14.206 1.00 34.43 H new ATOM 0 HE22 GLN A 635 -9.315 6.328 15.953 1.00 34.43 H new ATOM 1133 N GLN A 636 -11.246 6.611 10.016 1.00 23.15 N ATOM 1134 CA GLN A 636 -10.074 6.506 9.156 1.00 60.21 C ATOM 1135 C GLN A 636 -10.278 7.285 7.860 1.00 61.12 C ATOM 1136 O GLN A 636 -9.386 7.345 7.013 1.00 13.31 O ATOM 1137 CB GLN A 636 -9.776 5.040 8.841 1.00 51.34 C ATOM 1138 CG GLN A 636 -9.004 4.326 9.941 1.00 32.41 C ATOM 1139 CD GLN A 636 -7.515 4.609 9.886 1.00 32.04 C ATOM 1140 OE1 GLN A 636 -6.886 4.482 8.835 1.00 21.24 O ATOM 1141 NE2 GLN A 636 -6.944 4.995 11.020 1.00 73.41 N ATOM 0 H GLN A 636 -11.867 5.802 9.984 1.00 23.15 H new ATOM 0 HA GLN A 636 -9.225 6.936 9.688 1.00 60.21 H new ATOM 0 HB2 GLN A 636 -10.716 4.516 8.669 1.00 51.34 H new ATOM 0 HB3 GLN A 636 -9.206 4.985 7.914 1.00 51.34 H new ATOM 0 HG2 GLN A 636 -9.393 4.634 10.912 1.00 32.41 H new ATOM 0 HG3 GLN A 636 -9.169 3.252 9.857 1.00 32.41 H new ATOM 0 HE21 GLN A 636 -7.504 5.087 11.868 1.00 73.41 H new ATOM 0 HE22 GLN A 636 -5.945 5.200 11.044 1.00 73.41 H new ATOM 1148 N ARG A 637 -11.459 7.878 7.711 1.00 73.34 N ATOM 1149 CA ARG A 637 -11.780 8.651 6.517 1.00 54.22 C ATOM 1150 C ARG A 637 -11.263 10.082 6.642 1.00 25.01 C ATOM 1151 O ARG A 637 -11.431 10.725 7.677 1.00 55.21 O ATOM 1152 CB ARG A 637 -13.291 8.661 6.282 1.00 15.45 C ATOM 1153 CG ARG A 637 -14.046 9.593 7.217 1.00 34.22 C ATOM 1154 CD ARG A 637 -15.527 9.252 7.266 1.00 10.45 C ATOM 1155 NE ARG A 637 -16.236 10.039 8.271 1.00 3.50 N ATOM 1156 CZ ARG A 637 -17.554 9.999 8.440 1.00 53.41 C ATOM 1157 NH1 ARG A 637 -18.300 9.214 7.676 1.00 2.54 N ATOM 1158 NH2 ARG A 637 -18.126 10.744 9.377 1.00 11.43 N ATOM 0 H ARG A 637 -12.208 7.838 8.402 1.00 73.34 H new ATOM 0 HA ARG A 637 -11.290 8.179 5.665 1.00 54.22 H new ATOM 0 HB2 ARG A 637 -13.488 8.956 5.251 1.00 15.45 H new ATOM 0 HB3 ARG A 637 -13.676 7.648 6.403 1.00 15.45 H new ATOM 0 HG2 ARG A 637 -13.623 9.526 8.219 1.00 34.22 H new ATOM 0 HG3 ARG A 637 -13.919 10.624 6.886 1.00 34.22 H new ATOM 0 HD2 ARG A 637 -15.972 9.428 6.287 1.00 10.45 H new ATOM 0 HD3 ARG A 637 -15.648 8.191 7.485 1.00 10.45 H new ATOM 0 HE ARG A 637 -15.690 10.653 8.876 1.00 3.50 H new ATOM 0 HH11 ARG A 637 -17.863 8.638 6.956 1.00 2.54 H new ATOM 0 HH12 ARG A 637 -19.311 9.185 7.808 1.00 2.54 H new ATOM 0 HH21 ARG A 637 -17.554 11.348 9.968 1.00 11.43 H new ATOM 0 HH22 ARG A 637 -19.137 10.713 9.506 1.00 11.43 H new ATOM 1169 N ARG A 638 -10.634 10.572 5.579 1.00 24.24 N ATOM 1170 CA ARG A 638 -10.092 11.926 5.568 1.00 50.11 C ATOM 1171 C ARG A 638 -10.788 12.783 4.515 1.00 42.12 C ATOM 1172 O ARG A 638 -10.700 14.009 4.541 1.00 72.52 O ATOM 1173 CB ARG A 638 -8.586 11.892 5.300 1.00 31.51 C ATOM 1174 CG ARG A 638 -7.746 11.779 6.561 1.00 61.44 C ATOM 1175 CD ARG A 638 -7.527 13.136 7.210 1.00 21.51 C ATOM 1176 NE ARG A 638 -6.707 13.042 8.415 1.00 23.50 N ATOM 1177 CZ ARG A 638 -6.066 14.075 8.949 1.00 55.13 C ATOM 1178 NH1 ARG A 638 -6.150 15.274 8.390 1.00 33.24 N ATOM 1179 NH2 ARG A 638 -5.338 13.911 10.047 1.00 44.25 N ATOM 0 H ARG A 638 -10.487 10.052 4.714 1.00 24.24 H new ATOM 0 HA ARG A 638 -10.271 12.370 6.547 1.00 50.11 H new ATOM 0 HB2 ARG A 638 -8.361 11.049 4.647 1.00 31.51 H new ATOM 0 HB3 ARG A 638 -8.300 12.797 4.763 1.00 31.51 H new ATOM 0 HG2 ARG A 638 -8.238 11.112 7.268 1.00 61.44 H new ATOM 0 HG3 ARG A 638 -6.782 11.331 6.318 1.00 61.44 H new ATOM 0 HD2 ARG A 638 -7.047 13.806 6.496 1.00 21.51 H new ATOM 0 HD3 ARG A 638 -8.491 13.577 7.462 1.00 21.51 H new ATOM 0 HE ARG A 638 -6.622 12.134 8.871 1.00 23.50 H new ATOM 0 HH11 ARG A 638 -6.709 15.406 7.547 1.00 33.24 H new ATOM 0 HH12 ARG A 638 -5.656 16.065 8.803 1.00 33.24 H new ATOM 0 HH21 ARG A 638 -5.271 12.991 10.481 1.00 44.25 H new ATOM 0 HH22 ARG A 638 -4.846 14.705 10.456 1.00 44.25 H new ATOM 1190 N GLY A 639 -11.481 12.126 3.590 1.00 24.44 N ATOM 1191 CA GLY A 639 -12.182 12.844 2.540 1.00 15.11 C ATOM 1192 C GLY A 639 -11.352 12.986 1.281 1.00 71.32 C ATOM 1193 O GLY A 639 -11.892 13.044 0.177 1.00 33.24 O ATOM 0 H GLY A 639 -11.570 11.111 3.548 1.00 24.44 H new ATOM 0 HA2 GLY A 639 -13.109 12.321 2.303 1.00 15.11 H new ATOM 0 HA3 GLY A 639 -12.458 13.834 2.903 1.00 15.11 H new ATOM 1197 N GLU A 640 -10.034 13.044 1.446 1.00 74.54 N ATOM 1198 CA GLU A 640 -9.127 13.183 0.313 1.00 23.42 C ATOM 1199 C GLU A 640 -9.414 12.122 -0.746 1.00 32.43 C ATOM 1200 O GLU A 640 -10.040 11.097 -0.481 1.00 13.53 O ATOM 1201 CB GLU A 640 -7.673 13.077 0.777 1.00 4.24 C ATOM 1202 CG GLU A 640 -7.067 14.408 1.189 1.00 74.14 C ATOM 1203 CD GLU A 640 -5.931 14.249 2.181 1.00 10.35 C ATOM 1204 OE1 GLU A 640 -4.816 13.884 1.754 1.00 0.31 O ATOM 1205 OE2 GLU A 640 -6.158 14.490 3.385 1.00 71.12 O ATOM 0 H GLU A 640 -9.571 12.997 2.354 1.00 74.54 H new ATOM 0 HA GLU A 640 -9.287 14.166 -0.129 1.00 23.42 H new ATOM 0 HB2 GLU A 640 -7.618 12.387 1.619 1.00 4.24 H new ATOM 0 HB3 GLU A 640 -7.074 12.648 -0.027 1.00 4.24 H new ATOM 0 HG2 GLU A 640 -6.701 14.926 0.303 1.00 74.14 H new ATOM 0 HG3 GLU A 640 -7.842 15.036 1.628 1.00 74.14 H new ATOM 1210 N PRO A 641 -8.944 12.374 -1.977 1.00 24.10 N ATOM 1211 CA PRO A 641 -9.137 11.453 -3.102 1.00 34.41 C ATOM 1212 C PRO A 641 -8.325 10.172 -2.948 1.00 55.12 C ATOM 1213 O PRO A 641 -7.100 10.211 -2.833 1.00 15.43 O ATOM 1214 CB PRO A 641 -8.644 12.258 -4.308 1.00 51.35 C ATOM 1215 CG PRO A 641 -7.676 13.237 -3.739 1.00 12.32 C ATOM 1216 CD PRO A 641 -8.189 13.577 -2.367 1.00 53.45 C ATOM 0 HA PRO A 641 -10.173 11.124 -3.187 1.00 34.41 H new ATOM 0 HB2 PRO A 641 -8.167 11.613 -5.046 1.00 51.35 H new ATOM 0 HB3 PRO A 641 -9.469 12.763 -4.811 1.00 51.35 H new ATOM 0 HG2 PRO A 641 -6.675 12.810 -3.686 1.00 12.32 H new ATOM 0 HG3 PRO A 641 -7.610 14.128 -4.363 1.00 12.32 H new ATOM 0 HD2 PRO A 641 -7.374 13.783 -1.673 1.00 53.45 H new ATOM 0 HD3 PRO A 641 -8.825 14.462 -2.384 1.00 53.45 H new ATOM 1221 N VAL A 642 -9.016 9.036 -2.947 1.00 75.34 N ATOM 1222 CA VAL A 642 -8.358 7.742 -2.808 1.00 72.04 C ATOM 1223 C VAL A 642 -8.759 6.798 -3.936 1.00 32.20 C ATOM 1224 O VAL A 642 -9.939 6.629 -4.246 1.00 61.25 O ATOM 1225 CB VAL A 642 -8.694 7.083 -1.457 1.00 22.23 C ATOM 1226 CG1 VAL A 642 -10.186 7.179 -1.174 1.00 54.25 C ATOM 1227 CG2 VAL A 642 -8.231 5.634 -1.442 1.00 11.15 C ATOM 0 H VAL A 642 -10.030 8.986 -3.041 1.00 75.34 H new ATOM 0 HA VAL A 642 -7.285 7.926 -2.856 1.00 72.04 H new ATOM 0 HB VAL A 642 -8.164 7.617 -0.669 1.00 22.23 H new ATOM 0 HG11 VAL A 642 -10.406 6.708 -0.216 1.00 54.25 H new ATOM 0 HG12 VAL A 642 -10.483 8.227 -1.140 1.00 54.25 H new ATOM 0 HG13 VAL A 642 -10.740 6.670 -1.963 1.00 54.25 H new ATOM 0 HG21 VAL A 642 -8.476 5.184 -0.480 1.00 11.15 H new ATOM 0 HG22 VAL A 642 -8.732 5.084 -2.239 1.00 11.15 H new ATOM 0 HG23 VAL A 642 -7.153 5.595 -1.596 1.00 11.15 H new ATOM 1237 N PRO A 643 -7.756 6.167 -4.564 1.00 60.13 N ATOM 1238 CA PRO A 643 -7.980 5.228 -5.667 1.00 25.01 C ATOM 1239 C PRO A 643 -8.634 3.932 -5.201 1.00 44.34 C ATOM 1240 O PRO A 643 -8.164 3.294 -4.260 1.00 10.54 O ATOM 1241 CB PRO A 643 -6.569 4.956 -6.193 1.00 71.40 C ATOM 1242 CG PRO A 643 -5.674 5.217 -5.031 1.00 75.40 C ATOM 1243 CD PRO A 643 -6.326 6.322 -4.247 1.00 42.52 C ATOM 0 HA PRO A 643 -8.658 5.635 -6.417 1.00 25.01 H new ATOM 0 HB2 PRO A 643 -6.469 3.930 -6.547 1.00 71.40 H new ATOM 0 HB3 PRO A 643 -6.327 5.607 -7.033 1.00 71.40 H new ATOM 0 HG2 PRO A 643 -5.556 4.322 -4.420 1.00 75.40 H new ATOM 0 HG3 PRO A 643 -4.678 5.509 -5.363 1.00 75.40 H new ATOM 0 HD2 PRO A 643 -6.138 6.221 -3.178 1.00 42.52 H new ATOM 0 HD3 PRO A 643 -5.952 7.301 -4.546 1.00 42.52 H new ATOM 1248 N GLN A 644 -9.718 3.548 -5.867 1.00 33.15 N ATOM 1249 CA GLN A 644 -10.436 2.328 -5.520 1.00 15.31 C ATOM 1250 C GLN A 644 -9.627 1.093 -5.905 1.00 13.44 C ATOM 1251 O GLN A 644 -9.869 -0.002 -5.397 1.00 13.32 O ATOM 1252 CB GLN A 644 -11.798 2.297 -6.214 1.00 3.45 C ATOM 1253 CG GLN A 644 -12.603 1.041 -5.920 1.00 42.14 C ATOM 1254 CD GLN A 644 -13.950 1.034 -6.615 1.00 24.54 C ATOM 1255 OE1 GLN A 644 -14.158 0.301 -7.583 1.00 15.23 O ATOM 1256 NE2 GLN A 644 -14.873 1.853 -6.125 1.00 42.40 N ATOM 0 H GLN A 644 -10.118 4.065 -6.650 1.00 33.15 H new ATOM 0 HA GLN A 644 -10.587 2.320 -4.441 1.00 15.31 H new ATOM 0 HB2 GLN A 644 -12.374 3.169 -5.904 1.00 3.45 H new ATOM 0 HB3 GLN A 644 -11.650 2.380 -7.291 1.00 3.45 H new ATOM 0 HG2 GLN A 644 -12.032 0.167 -6.234 1.00 42.14 H new ATOM 0 HG3 GLN A 644 -12.753 0.954 -4.844 1.00 42.14 H new ATOM 0 HE21 GLN A 644 -14.657 2.443 -5.321 1.00 42.40 H new ATOM 0 HE22 GLN A 644 -15.798 1.893 -6.552 1.00 42.40 H new ATOM 1263 N ASP A 645 -8.669 1.277 -6.806 1.00 54.22 N ATOM 1264 CA ASP A 645 -7.824 0.178 -7.260 1.00 15.24 C ATOM 1265 C ASP A 645 -6.875 -0.269 -6.153 1.00 60.24 C ATOM 1266 O ASP A 645 -6.614 -1.462 -5.989 1.00 72.45 O ATOM 1267 CB ASP A 645 -7.027 0.596 -8.495 1.00 25.43 C ATOM 1268 CG ASP A 645 -6.535 -0.594 -9.297 1.00 12.13 C ATOM 1269 OD1 ASP A 645 -7.211 -1.644 -9.276 1.00 62.21 O ATOM 1270 OD2 ASP A 645 -5.475 -0.474 -9.944 1.00 70.44 O ATOM 0 H ASP A 645 -8.458 2.177 -7.237 1.00 54.22 H new ATOM 0 HA ASP A 645 -8.469 -0.661 -7.522 1.00 15.24 H new ATOM 0 HB2 ASP A 645 -7.650 1.226 -9.130 1.00 25.43 H new ATOM 0 HB3 ASP A 645 -6.174 1.200 -8.186 1.00 25.43 H new ATOM 1274 N LEU A 646 -6.360 0.694 -5.397 1.00 42.12 N ATOM 1275 CA LEU A 646 -5.437 0.399 -4.306 1.00 35.15 C ATOM 1276 C LEU A 646 -6.181 -0.173 -3.104 1.00 53.25 C ATOM 1277 O LEU A 646 -5.733 -1.139 -2.485 1.00 54.44 O ATOM 1278 CB LEU A 646 -4.681 1.664 -3.896 1.00 62.31 C ATOM 1279 CG LEU A 646 -3.893 2.363 -5.005 1.00 35.03 C ATOM 1280 CD1 LEU A 646 -3.051 3.492 -4.432 1.00 34.23 C ATOM 1281 CD2 LEU A 646 -3.015 1.365 -5.747 1.00 55.32 C ATOM 0 H LEU A 646 -6.566 1.686 -5.519 1.00 42.12 H new ATOM 0 HA LEU A 646 -4.723 -0.346 -4.658 1.00 35.15 H new ATOM 0 HB2 LEU A 646 -5.398 2.374 -3.484 1.00 62.31 H new ATOM 0 HB3 LEU A 646 -3.990 1.406 -3.093 1.00 62.31 H new ATOM 0 HG LEU A 646 -4.603 2.790 -5.714 1.00 35.03 H new ATOM 0 HD11 LEU A 646 -2.498 3.977 -5.236 1.00 34.23 H new ATOM 0 HD12 LEU A 646 -3.701 4.221 -3.947 1.00 34.23 H new ATOM 0 HD13 LEU A 646 -2.350 3.088 -3.701 1.00 34.23 H new ATOM 0 HD21 LEU A 646 -2.462 1.880 -6.532 1.00 55.32 H new ATOM 0 HD22 LEU A 646 -2.313 0.908 -5.049 1.00 55.32 H new ATOM 0 HD23 LEU A 646 -3.640 0.591 -6.192 1.00 55.32 H new ATOM 1292 N LEU A 647 -7.321 0.427 -2.778 1.00 20.01 N ATOM 1293 CA LEU A 647 -8.129 -0.024 -1.651 1.00 40.25 C ATOM 1294 C LEU A 647 -8.680 -1.424 -1.902 1.00 71.41 C ATOM 1295 O LEU A 647 -8.697 -2.265 -1.004 1.00 2.20 O ATOM 1296 CB LEU A 647 -9.280 0.952 -1.400 1.00 3.01 C ATOM 1297 CG LEU A 647 -8.882 2.355 -0.942 1.00 30.51 C ATOM 1298 CD1 LEU A 647 -10.118 3.189 -0.639 1.00 74.23 C ATOM 1299 CD2 LEU A 647 -7.973 2.282 0.277 1.00 2.33 C ATOM 0 H LEU A 647 -7.706 1.228 -3.279 1.00 20.01 H new ATOM 0 HA LEU A 647 -7.490 -0.058 -0.768 1.00 40.25 H new ATOM 0 HB2 LEU A 647 -9.860 1.042 -2.318 1.00 3.01 H new ATOM 0 HB3 LEU A 647 -9.939 0.519 -0.648 1.00 3.01 H new ATOM 0 HG LEU A 647 -8.333 2.837 -1.751 1.00 30.51 H new ATOM 0 HD11 LEU A 647 -9.815 4.184 -0.314 1.00 74.23 H new ATOM 0 HD12 LEU A 647 -10.731 3.271 -1.537 1.00 74.23 H new ATOM 0 HD13 LEU A 647 -10.695 2.710 0.152 1.00 74.23 H new ATOM 0 HD21 LEU A 647 -7.700 3.290 0.588 1.00 2.33 H new ATOM 0 HD22 LEU A 647 -8.496 1.780 1.091 1.00 2.33 H new ATOM 0 HD23 LEU A 647 -7.071 1.724 0.026 1.00 2.33 H new ATOM 1310 N ASP A 648 -9.128 -1.667 -3.128 1.00 25.24 N ATOM 1311 CA ASP A 648 -9.677 -2.966 -3.499 1.00 71.44 C ATOM 1312 C ASP A 648 -8.573 -4.015 -3.594 1.00 14.25 C ATOM 1313 O ASP A 648 -8.782 -5.181 -3.258 1.00 70.31 O ATOM 1314 CB ASP A 648 -10.419 -2.868 -4.833 1.00 62.32 C ATOM 1315 CG ASP A 648 -11.162 -4.145 -5.177 1.00 34.42 C ATOM 1316 OD1 ASP A 648 -12.302 -4.316 -4.696 1.00 34.15 O ATOM 1317 OD2 ASP A 648 -10.604 -4.971 -5.928 1.00 2.05 O ATOM 0 H ASP A 648 -9.122 -0.981 -3.883 1.00 25.24 H new ATOM 0 HA ASP A 648 -10.379 -3.271 -2.723 1.00 71.44 H new ATOM 0 HB2 ASP A 648 -11.126 -2.039 -4.792 1.00 62.32 H new ATOM 0 HB3 ASP A 648 -9.707 -2.641 -5.626 1.00 62.32 H new ATOM 1321 N ARG A 649 -7.400 -3.593 -4.052 1.00 23.40 N ATOM 1322 CA ARG A 649 -6.264 -4.496 -4.192 1.00 62.33 C ATOM 1323 C ARG A 649 -5.683 -4.855 -2.828 1.00 71.01 C ATOM 1324 O ARG A 649 -5.453 -6.027 -2.528 1.00 32.23 O ATOM 1325 CB ARG A 649 -5.183 -3.858 -5.067 1.00 4.21 C ATOM 1326 CG ARG A 649 -5.423 -4.034 -6.558 1.00 13.24 C ATOM 1327 CD ARG A 649 -4.806 -5.325 -7.074 1.00 13.15 C ATOM 1328 NE ARG A 649 -4.833 -5.400 -8.532 1.00 20.14 N ATOM 1329 CZ ARG A 649 -4.023 -4.701 -9.319 1.00 14.41 C ATOM 1330 NH1 ARG A 649 -3.127 -3.880 -8.790 1.00 74.53 N ATOM 1331 NH2 ARG A 649 -4.108 -4.823 -10.638 1.00 14.21 N ATOM 0 H ARG A 649 -7.211 -2.631 -4.333 1.00 23.40 H new ATOM 0 HA ARG A 649 -6.616 -5.410 -4.670 1.00 62.33 H new ATOM 0 HB2 ARG A 649 -5.125 -2.793 -4.840 1.00 4.21 H new ATOM 0 HB3 ARG A 649 -4.217 -4.291 -4.810 1.00 4.21 H new ATOM 0 HG2 ARG A 649 -6.495 -4.037 -6.757 1.00 13.24 H new ATOM 0 HG3 ARG A 649 -5.001 -3.187 -7.098 1.00 13.24 H new ATOM 0 HD2 ARG A 649 -3.776 -5.399 -6.726 1.00 13.15 H new ATOM 0 HD3 ARG A 649 -5.345 -6.176 -6.657 1.00 13.15 H new ATOM 0 HE ARG A 649 -5.511 -6.023 -8.970 1.00 20.14 H new ATOM 0 HH11 ARG A 649 -3.059 -3.784 -7.777 1.00 74.53 H new ATOM 0 HH12 ARG A 649 -2.506 -3.344 -9.396 1.00 74.53 H new ATOM 0 HH21 ARG A 649 -4.796 -5.454 -11.048 1.00 14.21 H new ATOM 0 HH22 ARG A 649 -3.485 -4.286 -11.241 1.00 14.21 H new ATOM 1342 N VAL A 650 -5.447 -3.838 -2.005 1.00 5.34 N ATOM 1343 CA VAL A 650 -4.894 -4.046 -0.672 1.00 50.23 C ATOM 1344 C VAL A 650 -5.769 -4.990 0.145 1.00 31.32 C ATOM 1345 O VAL A 650 -5.272 -5.759 0.969 1.00 35.21 O ATOM 1346 CB VAL A 650 -4.745 -2.715 0.088 1.00 65.54 C ATOM 1347 CG1 VAL A 650 -5.999 -2.417 0.895 1.00 52.11 C ATOM 1348 CG2 VAL A 650 -3.518 -2.749 0.986 1.00 63.12 C ATOM 0 H VAL A 650 -5.630 -2.862 -2.238 1.00 5.34 H new ATOM 0 HA VAL A 650 -3.908 -4.492 -0.805 1.00 50.23 H new ATOM 0 HB VAL A 650 -4.612 -1.914 -0.640 1.00 65.54 H new ATOM 0 HG11 VAL A 650 -5.875 -1.473 1.425 1.00 52.11 H new ATOM 0 HG12 VAL A 650 -6.855 -2.347 0.224 1.00 52.11 H new ATOM 0 HG13 VAL A 650 -6.167 -3.218 1.615 1.00 52.11 H new ATOM 0 HG21 VAL A 650 -3.428 -1.800 1.515 1.00 63.12 H new ATOM 0 HG22 VAL A 650 -3.618 -3.559 1.708 1.00 63.12 H new ATOM 0 HG23 VAL A 650 -2.627 -2.911 0.379 1.00 63.12 H new ATOM 1358 N LEU A 651 -7.076 -4.927 -0.087 1.00 31.53 N ATOM 1359 CA LEU A 651 -8.023 -5.776 0.627 1.00 73.14 C ATOM 1360 C LEU A 651 -7.922 -7.222 0.152 1.00 55.43 C ATOM 1361 O LEU A 651 -7.979 -8.154 0.955 1.00 62.32 O ATOM 1362 CB LEU A 651 -9.449 -5.261 0.431 1.00 62.13 C ATOM 1363 CG LEU A 651 -10.040 -4.461 1.591 1.00 41.42 C ATOM 1364 CD1 LEU A 651 -9.067 -3.384 2.048 1.00 4.13 C ATOM 1365 CD2 LEU A 651 -11.371 -3.843 1.191 1.00 1.42 C ATOM 0 H LEU A 651 -7.504 -4.296 -0.765 1.00 31.53 H new ATOM 0 HA LEU A 651 -7.775 -5.743 1.688 1.00 73.14 H new ATOM 0 HB2 LEU A 651 -9.468 -4.636 -0.462 1.00 62.13 H new ATOM 0 HB3 LEU A 651 -10.098 -6.115 0.237 1.00 62.13 H new ATOM 0 HG LEU A 651 -10.214 -5.142 2.424 1.00 41.42 H new ATOM 0 HD11 LEU A 651 -9.505 -2.825 2.875 1.00 4.13 H new ATOM 0 HD12 LEU A 651 -8.138 -3.849 2.377 1.00 4.13 H new ATOM 0 HD13 LEU A 651 -8.860 -2.706 1.220 1.00 4.13 H new ATOM 0 HD21 LEU A 651 -11.776 -3.277 2.030 1.00 1.42 H new ATOM 0 HD22 LEU A 651 -11.222 -3.176 0.342 1.00 1.42 H new ATOM 0 HD23 LEU A 651 -12.070 -4.632 0.914 1.00 1.42 H new ATOM 1376 N ALA A 652 -7.769 -7.401 -1.155 1.00 50.13 N ATOM 1377 CA ALA A 652 -7.656 -8.734 -1.736 1.00 73.54 C ATOM 1378 C ALA A 652 -6.536 -9.528 -1.072 1.00 71.53 C ATOM 1379 O ALA A 652 -6.741 -10.658 -0.630 1.00 12.22 O ATOM 1380 CB ALA A 652 -7.419 -8.638 -3.236 1.00 31.34 C ATOM 0 H ALA A 652 -7.720 -6.640 -1.833 1.00 50.13 H new ATOM 0 HA ALA A 652 -8.594 -9.261 -1.561 1.00 73.54 H new ATOM 0 HB1 ALA A 652 -7.337 -9.640 -3.656 1.00 31.34 H new ATOM 0 HB2 ALA A 652 -8.254 -8.116 -3.704 1.00 31.34 H new ATOM 0 HB3 ALA A 652 -6.496 -8.089 -3.424 1.00 31.34 H new ATOM 1386 N ALA A 653 -5.350 -8.931 -1.007 1.00 4.14 N ATOM 1387 CA ALA A 653 -4.198 -9.582 -0.396 1.00 44.42 C ATOM 1388 C ALA A 653 -4.343 -9.643 1.121 1.00 40.22 C ATOM 1389 O ALA A 653 -4.121 -10.688 1.735 1.00 21.42 O ATOM 1390 CB ALA A 653 -2.917 -8.856 -0.777 1.00 20.34 C ATOM 0 H ALA A 653 -5.162 -7.997 -1.371 1.00 4.14 H new ATOM 0 HA ALA A 653 -4.148 -10.604 -0.772 1.00 44.42 H new ATOM 0 HB1 ALA A 653 -2.065 -9.354 -0.313 1.00 20.34 H new ATOM 0 HB2 ALA A 653 -2.800 -8.870 -1.861 1.00 20.34 H new ATOM 0 HB3 ALA A 653 -2.967 -7.824 -0.430 1.00 20.34 H new ATOM 1396 N HIS A 654 -4.716 -8.518 1.721 1.00 30.11 N ATOM 1397 CA HIS A 654 -4.889 -8.444 3.168 1.00 24.25 C ATOM 1398 C HIS A 654 -5.841 -9.531 3.656 1.00 53.23 C ATOM 1399 O HIS A 654 -5.588 -10.181 4.671 1.00 33.23 O ATOM 1400 CB HIS A 654 -5.421 -7.067 3.569 1.00 44.12 C ATOM 1401 CG HIS A 654 -5.787 -6.965 5.017 1.00 4.20 C ATOM 1402 ND1 HIS A 654 -4.891 -6.592 5.996 1.00 32.22 N ATOM 1403 CD2 HIS A 654 -6.962 -7.191 5.651 1.00 31.42 C ATOM 1404 CE1 HIS A 654 -5.499 -6.592 7.170 1.00 64.24 C ATOM 1405 NE2 HIS A 654 -6.756 -6.952 6.988 1.00 63.20 N ATOM 0 H HIS A 654 -4.904 -7.645 1.228 1.00 30.11 H new ATOM 0 HA HIS A 654 -3.916 -8.600 3.635 1.00 24.25 H new ATOM 0 HB2 HIS A 654 -4.667 -6.314 3.339 1.00 44.12 H new ATOM 0 HB3 HIS A 654 -6.297 -6.835 2.964 1.00 44.12 H new ATOM 0 HD2 HIS A 654 -7.889 -7.501 5.191 1.00 31.42 H new ATOM 0 HE1 HIS A 654 -5.045 -6.340 8.117 1.00 64.24 H new ATOM 0 HE2 HIS A 654 -7.460 -7.039 7.721 1.00 63.20 H new ATOM 1412 N ALA A 655 -6.936 -9.723 2.929 1.00 5.23 N ATOM 1413 CA ALA A 655 -7.925 -10.732 3.288 1.00 45.54 C ATOM 1414 C ALA A 655 -7.450 -12.130 2.899 1.00 35.31 C ATOM 1415 O ALA A 655 -7.530 -13.067 3.693 1.00 14.24 O ATOM 1416 CB ALA A 655 -9.259 -10.424 2.627 1.00 2.45 C ATOM 0 H ALA A 655 -7.161 -9.193 2.087 1.00 5.23 H new ATOM 0 HA ALA A 655 -8.055 -10.708 4.370 1.00 45.54 H new ATOM 0 HB1 ALA A 655 -9.987 -11.186 2.905 1.00 2.45 H new ATOM 0 HB2 ALA A 655 -9.612 -9.447 2.958 1.00 2.45 H new ATOM 0 HB3 ALA A 655 -9.136 -10.417 1.544 1.00 2.45 H new ATOM 1422 N TYR A 656 -6.956 -12.261 1.673 1.00 2.04 N ATOM 1423 CA TYR A 656 -6.471 -13.543 1.178 1.00 3.14 C ATOM 1424 C TYR A 656 -5.431 -14.134 2.123 1.00 54.25 C ATOM 1425 O TYR A 656 -5.525 -15.296 2.520 1.00 21.23 O ATOM 1426 CB TYR A 656 -5.873 -13.380 -0.221 1.00 72.22 C ATOM 1427 CG TYR A 656 -5.200 -14.631 -0.741 1.00 1.35 C ATOM 1428 CD1 TYR A 656 -5.933 -15.620 -1.385 1.00 71.12 C ATOM 1429 CD2 TYR A 656 -3.833 -14.822 -0.590 1.00 54.10 C ATOM 1430 CE1 TYR A 656 -5.323 -16.765 -1.861 1.00 34.43 C ATOM 1431 CE2 TYR A 656 -3.214 -15.963 -1.064 1.00 34.13 C ATOM 1432 CZ TYR A 656 -3.964 -16.931 -1.698 1.00 40.22 C ATOM 1433 OH TYR A 656 -3.351 -18.069 -2.172 1.00 1.43 O ATOM 0 H TYR A 656 -6.881 -11.495 1.004 1.00 2.04 H new ATOM 0 HA TYR A 656 -7.318 -14.228 1.126 1.00 3.14 H new ATOM 0 HB2 TYR A 656 -6.663 -13.088 -0.913 1.00 72.22 H new ATOM 0 HB3 TYR A 656 -5.147 -12.567 -0.204 1.00 72.22 H new ATOM 0 HD1 TYR A 656 -6.997 -15.492 -1.516 1.00 71.12 H new ATOM 0 HD2 TYR A 656 -3.243 -14.066 -0.093 1.00 54.10 H new ATOM 0 HE1 TYR A 656 -5.907 -17.525 -2.358 1.00 34.43 H new ATOM 0 HE2 TYR A 656 -2.150 -16.096 -0.939 1.00 34.13 H new ATOM 0 HH TYR A 656 -2.391 -18.029 -1.977 1.00 1.43 H new ATOM 1442 N TRP A 657 -4.440 -13.326 2.480 1.00 73.11 N ATOM 1443 CA TRP A 657 -3.380 -13.768 3.380 1.00 72.11 C ATOM 1444 C TRP A 657 -3.906 -13.930 4.802 1.00 11.12 C ATOM 1445 O TRP A 657 -3.454 -14.801 5.545 1.00 2.24 O ATOM 1446 CB TRP A 657 -2.220 -12.772 3.364 1.00 20.44 C ATOM 1447 CG TRP A 657 -1.529 -12.687 2.036 1.00 21.44 C ATOM 1448 CD1 TRP A 657 -1.418 -11.583 1.238 1.00 55.11 C ATOM 1449 CD2 TRP A 657 -0.856 -13.748 1.351 1.00 25.25 C ATOM 1450 NE1 TRP A 657 -0.717 -11.895 0.100 1.00 22.40 N ATOM 1451 CE2 TRP A 657 -0.360 -13.217 0.144 1.00 71.13 C ATOM 1452 CE3 TRP A 657 -0.623 -15.096 1.639 1.00 32.15 C ATOM 1453 CZ2 TRP A 657 0.354 -13.987 -0.771 1.00 1.45 C ATOM 1454 CZ3 TRP A 657 0.085 -15.859 0.730 1.00 72.33 C ATOM 1455 CH2 TRP A 657 0.567 -15.303 -0.462 1.00 70.24 C ATOM 0 H TRP A 657 -4.348 -12.362 2.161 1.00 73.11 H new ATOM 0 HA TRP A 657 -3.023 -14.737 3.031 1.00 72.11 H new ATOM 0 HB2 TRP A 657 -2.594 -11.785 3.635 1.00 20.44 H new ATOM 0 HB3 TRP A 657 -1.494 -13.058 4.126 1.00 20.44 H new ATOM 0 HD1 TRP A 657 -1.822 -10.609 1.469 1.00 55.11 H new ATOM 0 HE1 TRP A 657 -0.497 -11.247 -0.657 1.00 22.40 H new ATOM 0 HE3 TRP A 657 -0.990 -15.533 2.556 1.00 32.15 H new ATOM 0 HZ2 TRP A 657 0.726 -13.561 -1.691 1.00 1.45 H new ATOM 0 HZ3 TRP A 657 0.270 -16.902 0.942 1.00 72.33 H new ATOM 0 HH2 TRP A 657 1.118 -15.926 -1.151 1.00 70.24 H new ATOM 1465 N SER A 658 -4.863 -13.086 5.174 1.00 54.22 N ATOM 1466 CA SER A 658 -5.448 -13.135 6.509 1.00 55.13 C ATOM 1467 C SER A 658 -6.028 -14.515 6.798 1.00 2.42 C ATOM 1468 O SER A 658 -6.021 -14.976 7.940 1.00 4.23 O ATOM 1469 CB SER A 658 -6.539 -12.070 6.651 1.00 64.34 C ATOM 1470 OG SER A 658 -7.470 -12.425 7.658 1.00 41.31 O ATOM 0 H SER A 658 -5.250 -12.360 4.570 1.00 54.22 H new ATOM 0 HA SER A 658 -4.658 -12.934 7.232 1.00 55.13 H new ATOM 0 HB2 SER A 658 -6.085 -11.109 6.894 1.00 64.34 H new ATOM 0 HB3 SER A 658 -7.057 -11.946 5.700 1.00 64.34 H new ATOM 0 HG SER A 658 -8.155 -11.728 7.730 1.00 41.31 H new ATOM 1475 N GLN A 659 -6.530 -15.169 5.756 1.00 0.35 N ATOM 1476 CA GLN A 659 -7.116 -16.497 5.897 1.00 0.30 C ATOM 1477 C GLN A 659 -6.113 -17.472 6.506 1.00 64.20 C ATOM 1478 O GLN A 659 -6.496 -18.474 7.109 1.00 31.41 O ATOM 1479 CB GLN A 659 -7.591 -17.017 4.539 1.00 75.51 C ATOM 1480 CG GLN A 659 -8.522 -18.214 4.637 1.00 31.13 C ATOM 1481 CD GLN A 659 -8.811 -18.840 3.287 1.00 50.04 C ATOM 1482 OE1 GLN A 659 -9.885 -18.647 2.717 1.00 21.04 O ATOM 1483 NE2 GLN A 659 -7.850 -19.595 2.766 1.00 33.12 N ATOM 0 H GLN A 659 -6.543 -14.801 4.805 1.00 0.35 H new ATOM 0 HA GLN A 659 -7.973 -16.419 6.567 1.00 0.30 H new ATOM 0 HB2 GLN A 659 -8.102 -16.213 4.010 1.00 75.51 H new ATOM 0 HB3 GLN A 659 -6.722 -17.291 3.940 1.00 75.51 H new ATOM 0 HG2 GLN A 659 -8.077 -18.963 5.293 1.00 31.13 H new ATOM 0 HG3 GLN A 659 -9.460 -17.903 5.098 1.00 31.13 H new ATOM 0 HE21 GLN A 659 -6.975 -19.728 3.273 1.00 33.12 H new ATOM 0 HE22 GLN A 659 -7.987 -20.041 1.859 1.00 33.12 H new ATOM 1490 N GLN A 660 -4.829 -17.172 6.340 1.00 14.34 N ATOM 1491 CA GLN A 660 -3.772 -18.023 6.873 1.00 45.32 C ATOM 1492 C GLN A 660 -3.405 -17.611 8.295 1.00 63.42 C ATOM 1493 O GLN A 660 -3.281 -18.456 9.182 1.00 31.42 O ATOM 1494 CB GLN A 660 -2.535 -17.958 5.975 1.00 35.42 C ATOM 1495 CG GLN A 660 -2.593 -18.907 4.789 1.00 41.24 C ATOM 1496 CD GLN A 660 -1.253 -19.060 4.097 1.00 31.13 C ATOM 1497 OE1 GLN A 660 -1.080 -18.637 2.953 1.00 4.40 O ATOM 1498 NE2 GLN A 660 -0.294 -19.664 4.789 1.00 11.31 N ATOM 0 H GLN A 660 -4.496 -16.347 5.841 1.00 14.34 H new ATOM 0 HA GLN A 660 -4.143 -19.048 6.896 1.00 45.32 H new ATOM 0 HB2 GLN A 660 -2.416 -16.938 5.608 1.00 35.42 H new ATOM 0 HB3 GLN A 660 -1.652 -18.188 6.571 1.00 35.42 H new ATOM 0 HG2 GLN A 660 -2.936 -19.885 5.127 1.00 41.24 H new ATOM 0 HG3 GLN A 660 -3.328 -18.542 4.072 1.00 41.24 H new ATOM 0 HE21 GLN A 660 -0.481 -19.999 5.734 1.00 11.31 H new ATOM 0 HE22 GLN A 660 0.629 -19.793 4.375 1.00 11.31 H new ATOM 1505 N GLN A 661 -3.232 -16.310 8.503 1.00 0.23 N ATOM 1506 CA GLN A 661 -2.878 -15.788 9.817 1.00 73.40 C ATOM 1507 C GLN A 661 -3.720 -14.564 10.162 1.00 24.04 C ATOM 1508 O GLN A 661 -4.121 -13.805 9.279 1.00 55.24 O ATOM 1509 CB GLN A 661 -1.392 -15.427 9.862 1.00 13.45 C ATOM 1510 CG GLN A 661 -0.493 -16.597 10.230 1.00 11.05 C ATOM 1511 CD GLN A 661 0.950 -16.375 9.822 1.00 13.25 C ATOM 1512 OE1 GLN A 661 1.298 -16.479 8.645 1.00 51.51 O ATOM 1513 NE2 GLN A 661 1.799 -16.065 10.795 1.00 44.11 N ATOM 0 H GLN A 661 -3.331 -15.599 7.779 1.00 0.23 H new ATOM 0 HA GLN A 661 -3.079 -16.565 10.555 1.00 73.40 H new ATOM 0 HB2 GLN A 661 -1.091 -15.040 8.888 1.00 13.45 H new ATOM 0 HB3 GLN A 661 -1.243 -14.624 10.584 1.00 13.45 H new ATOM 0 HG2 GLN A 661 -0.541 -16.763 11.306 1.00 11.05 H new ATOM 0 HG3 GLN A 661 -0.867 -17.502 9.751 1.00 11.05 H new ATOM 0 HE21 GLN A 661 1.467 -15.989 11.757 1.00 44.11 H new ATOM 0 HE22 GLN A 661 2.783 -15.902 10.581 1.00 44.11 H new ATOM 1520 N GLY A 662 -3.988 -14.380 11.451 1.00 33.25 N ATOM 1521 CA GLY A 662 -4.783 -13.247 11.889 1.00 74.42 C ATOM 1522 C GLY A 662 -3.960 -12.216 12.637 1.00 5.25 C ATOM 1523 O GLY A 662 -2.801 -12.460 12.973 1.00 64.43 O ATOM 0 H GLY A 662 -3.669 -14.995 12.200 1.00 33.25 H new ATOM 0 HA2 GLY A 662 -5.248 -12.777 11.023 1.00 74.42 H new ATOM 0 HA3 GLY A 662 -5.589 -13.600 12.532 1.00 74.42 H new ATOM 1527 N LYS A 663 -4.559 -11.060 12.897 1.00 20.43 N ATOM 1528 CA LYS A 663 -3.876 -9.986 13.609 1.00 75.54 C ATOM 1529 C LYS A 663 -4.817 -8.812 13.858 1.00 11.23 C ATOM 1530 O LYS A 663 -5.669 -8.502 13.027 1.00 4.02 O ATOM 1531 CB LYS A 663 -2.655 -9.515 12.815 1.00 23.03 C ATOM 1532 CG LYS A 663 -1.531 -8.983 13.685 1.00 10.11 C ATOM 1533 CD LYS A 663 -1.657 -7.484 13.905 1.00 65.32 C ATOM 1534 CE LYS A 663 -0.911 -6.700 12.835 1.00 60.10 C ATOM 1535 NZ LYS A 663 -1.551 -5.382 12.567 1.00 65.13 N ATOM 0 H LYS A 663 -5.518 -10.842 12.625 1.00 20.43 H new ATOM 0 HA LYS A 663 -3.547 -10.376 14.573 1.00 75.54 H new ATOM 0 HB2 LYS A 663 -2.279 -10.345 12.218 1.00 23.03 H new ATOM 0 HB3 LYS A 663 -2.964 -8.735 12.119 1.00 23.03 H new ATOM 0 HG2 LYS A 663 -1.541 -9.495 14.647 1.00 10.11 H new ATOM 0 HG3 LYS A 663 -0.572 -9.204 13.217 1.00 10.11 H new ATOM 0 HD2 LYS A 663 -2.710 -7.201 13.898 1.00 65.32 H new ATOM 0 HD3 LYS A 663 -1.264 -7.225 14.888 1.00 65.32 H new ATOM 0 HE2 LYS A 663 0.121 -6.545 13.151 1.00 60.10 H new ATOM 0 HE3 LYS A 663 -0.879 -7.282 11.914 1.00 60.10 H new ATOM 0 HZ1 LYS A 663 -1.780 -5.307 11.555 1.00 65.13 H new ATOM 0 HZ2 LYS A 663 -2.424 -5.300 13.127 1.00 65.13 H new ATOM 0 HZ3 LYS A 663 -0.897 -4.618 12.832 1.00 65.13 H new ATOM 1545 N GLN A 664 -4.655 -8.164 15.007 1.00 20.35 N ATOM 1546 CA GLN A 664 -5.491 -7.023 15.363 1.00 1.34 C ATOM 1547 C GLN A 664 -4.655 -5.905 15.977 1.00 52.22 C ATOM 1548 O GLN A 664 -3.476 -6.093 16.281 1.00 2.02 O ATOM 1549 CB GLN A 664 -6.586 -7.452 16.341 1.00 54.02 C ATOM 1550 CG GLN A 664 -6.077 -7.705 17.751 1.00 54.32 C ATOM 1551 CD GLN A 664 -7.112 -8.375 18.634 1.00 52.13 C ATOM 1552 OE1 GLN A 664 -8.153 -8.826 18.157 1.00 42.33 O ATOM 1553 NE2 GLN A 664 -6.829 -8.444 19.930 1.00 2.33 N ATOM 0 H GLN A 664 -3.954 -8.409 15.706 1.00 20.35 H new ATOM 0 HA GLN A 664 -5.954 -6.646 14.451 1.00 1.34 H new ATOM 0 HB2 GLN A 664 -7.355 -6.680 16.374 1.00 54.02 H new ATOM 0 HB3 GLN A 664 -7.061 -8.359 15.967 1.00 54.02 H new ATOM 0 HG2 GLN A 664 -5.185 -8.330 17.705 1.00 54.32 H new ATOM 0 HG3 GLN A 664 -5.779 -6.758 18.201 1.00 54.32 H new ATOM 0 HE21 GLN A 664 -5.954 -8.057 20.282 1.00 2.33 H new ATOM 0 HE22 GLN A 664 -7.487 -8.884 20.573 1.00 2.33 H new ATOM 1560 N HIS A 665 -5.271 -4.741 16.156 1.00 71.33 N ATOM 1561 CA HIS A 665 -4.583 -3.593 16.734 1.00 61.41 C ATOM 1562 C HIS A 665 -5.547 -2.428 16.940 1.00 51.43 C ATOM 1563 O HIS A 665 -6.640 -2.407 16.375 1.00 54.23 O ATOM 1564 CB HIS A 665 -3.425 -3.158 15.833 1.00 4.13 C ATOM 1565 CG HIS A 665 -2.345 -2.419 16.560 1.00 12.31 C ATOM 1566 ND1 HIS A 665 -1.318 -3.052 17.227 1.00 61.43 N ATOM 1567 CD2 HIS A 665 -2.135 -1.091 16.721 1.00 41.42 C ATOM 1568 CE1 HIS A 665 -0.522 -2.146 17.768 1.00 32.14 C ATOM 1569 NE2 HIS A 665 -0.996 -0.948 17.476 1.00 1.41 N ATOM 0 H HIS A 665 -6.245 -4.568 15.909 1.00 71.33 H new ATOM 0 HA HIS A 665 -4.187 -3.890 17.705 1.00 61.41 H new ATOM 0 HB2 HIS A 665 -2.994 -4.039 15.358 1.00 4.13 H new ATOM 0 HB3 HIS A 665 -3.814 -2.524 15.036 1.00 4.13 H new ATOM 0 HD2 HIS A 665 -2.748 -0.293 16.329 1.00 41.42 H new ATOM 0 HE1 HIS A 665 0.365 -2.350 18.350 1.00 32.14 H new ATOM 0 HE2 HIS A 665 -0.583 -0.061 17.764 1.00 1.41 H new ATOM 1576 N VAL A 666 -5.134 -1.462 17.755 1.00 0.34 N ATOM 1577 CA VAL A 666 -5.962 -0.295 18.036 1.00 13.10 C ATOM 1578 C VAL A 666 -5.620 0.859 17.101 1.00 23.31 C ATOM 1579 O VAL A 666 -4.818 0.707 16.181 1.00 61.55 O ATOM 1580 CB VAL A 666 -5.794 0.174 19.495 1.00 64.42 C ATOM 1581 CG1 VAL A 666 -6.139 -0.950 20.460 1.00 21.04 C ATOM 1582 CG2 VAL A 666 -4.377 0.675 19.733 1.00 22.53 C ATOM 0 H VAL A 666 -4.232 -1.465 18.232 1.00 0.34 H new ATOM 0 HA VAL A 666 -6.997 -0.595 17.875 1.00 13.10 H new ATOM 0 HB VAL A 666 -6.483 1.000 19.675 1.00 64.42 H new ATOM 0 HG11 VAL A 666 -6.015 -0.601 21.485 1.00 21.04 H new ATOM 0 HG12 VAL A 666 -7.173 -1.258 20.305 1.00 21.04 H new ATOM 0 HG13 VAL A 666 -5.477 -1.798 20.283 1.00 21.04 H new ATOM 0 HG21 VAL A 666 -4.276 1.002 20.768 1.00 22.53 H new ATOM 0 HG22 VAL A 666 -3.669 -0.130 19.536 1.00 22.53 H new ATOM 0 HG23 VAL A 666 -4.170 1.512 19.066 1.00 22.53 H new ATOM 1592 N GLU A 667 -6.235 2.012 17.343 1.00 72.03 N ATOM 1593 CA GLU A 667 -5.996 3.192 16.520 1.00 73.03 C ATOM 1594 C GLU A 667 -5.679 4.407 17.390 1.00 2.34 C ATOM 1595 O GLU A 667 -6.030 4.465 18.569 1.00 20.43 O ATOM 1596 CB GLU A 667 -7.213 3.484 15.641 1.00 71.34 C ATOM 1597 CG GLU A 667 -8.539 3.310 16.360 1.00 3.34 C ATOM 1598 CD GLU A 667 -9.048 1.882 16.309 1.00 71.25 C ATOM 1599 OE1 GLU A 667 -9.485 1.447 15.223 1.00 12.30 O ATOM 1600 OE2 GLU A 667 -9.008 1.200 17.355 1.00 1.32 O ATOM 0 H GLU A 667 -6.902 2.154 18.102 1.00 72.03 H new ATOM 0 HA GLU A 667 -5.136 2.990 15.881 1.00 73.03 H new ATOM 0 HB2 GLU A 667 -7.144 4.505 15.267 1.00 71.34 H new ATOM 0 HB3 GLU A 667 -7.191 2.825 14.773 1.00 71.34 H new ATOM 0 HG2 GLU A 667 -8.426 3.615 17.401 1.00 3.34 H new ATOM 0 HG3 GLU A 667 -9.280 3.972 15.912 1.00 3.34 H new ATOM 1605 N PRO A 668 -5.002 5.399 16.795 1.00 62.22 N ATOM 1606 CA PRO A 668 -4.623 6.630 17.496 1.00 2.44 C ATOM 1607 C PRO A 668 -5.828 7.511 17.812 1.00 43.32 C ATOM 1608 O PRO A 668 -6.976 7.097 17.639 1.00 63.33 O ATOM 1609 CB PRO A 668 -3.694 7.332 16.503 1.00 61.22 C ATOM 1610 CG PRO A 668 -4.106 6.815 15.168 1.00 64.55 C ATOM 1611 CD PRO A 668 -4.552 5.397 15.393 1.00 65.14 C ATOM 0 HA PRO A 668 -4.160 6.424 18.461 1.00 2.44 H new ATOM 0 HB2 PRO A 668 -3.801 8.415 16.558 1.00 61.22 H new ATOM 0 HB3 PRO A 668 -2.648 7.104 16.710 1.00 61.22 H new ATOM 0 HG2 PRO A 668 -4.913 7.416 14.749 1.00 64.55 H new ATOM 0 HG3 PRO A 668 -3.277 6.856 14.461 1.00 64.55 H new ATOM 0 HD2 PRO A 668 -5.356 5.116 14.713 1.00 65.14 H new ATOM 0 HD3 PRO A 668 -3.738 4.690 15.233 1.00 65.14 H new ATOM 1616 N LEU A 669 -5.561 8.727 18.275 1.00 40.52 N ATOM 1617 CA LEU A 669 -6.624 9.666 18.615 1.00 63.13 C ATOM 1618 C LEU A 669 -6.400 11.011 17.931 1.00 61.42 C ATOM 1619 O LEU A 669 -5.284 11.336 17.525 1.00 15.52 O ATOM 1620 CB LEU A 669 -6.696 9.857 20.131 1.00 34.33 C ATOM 1621 CG LEU A 669 -7.975 10.504 20.665 1.00 50.42 C ATOM 1622 CD1 LEU A 669 -9.169 9.589 20.439 1.00 43.31 C ATOM 1623 CD2 LEU A 669 -7.828 10.836 22.143 1.00 1.13 C ATOM 0 H LEU A 669 -4.618 9.086 18.424 1.00 40.52 H new ATOM 0 HA LEU A 669 -7.569 9.252 18.262 1.00 63.13 H new ATOM 0 HB2 LEU A 669 -6.580 8.883 20.606 1.00 34.33 H new ATOM 0 HB3 LEU A 669 -5.847 10.466 20.441 1.00 34.33 H new ATOM 0 HG LEU A 669 -8.145 11.432 20.120 1.00 50.42 H new ATOM 0 HD11 LEU A 669 -10.070 10.065 20.825 1.00 43.31 H new ATOM 0 HD12 LEU A 669 -9.286 9.401 19.372 1.00 43.31 H new ATOM 0 HD13 LEU A 669 -9.007 8.644 20.958 1.00 43.31 H new ATOM 0 HD21 LEU A 669 -8.747 11.296 22.506 1.00 1.13 H new ATOM 0 HD22 LEU A 669 -7.633 9.922 22.704 1.00 1.13 H new ATOM 0 HD23 LEU A 669 -6.998 11.529 22.279 1.00 1.13 H new ATOM 1634 N LYS A 670 -7.469 11.792 17.808 1.00 44.31 N ATOM 1635 CA LYS A 670 -7.390 13.103 17.177 1.00 4.40 C ATOM 1636 C LYS A 670 -7.827 14.199 18.144 1.00 62.01 C ATOM 1637 O LYS A 670 -8.189 13.922 19.288 1.00 74.41 O ATOM 1638 CB LYS A 670 -8.263 13.140 15.920 1.00 45.21 C ATOM 1639 CG LYS A 670 -9.741 12.931 16.199 1.00 1.11 C ATOM 1640 CD LYS A 670 -10.552 12.899 14.915 1.00 0.40 C ATOM 1641 CE LYS A 670 -11.036 14.287 14.526 1.00 62.11 C ATOM 1642 NZ LYS A 670 -11.913 14.252 13.322 1.00 54.23 N ATOM 0 H LYS A 670 -8.400 11.538 18.138 1.00 44.31 H new ATOM 0 HA LYS A 670 -6.352 13.282 16.897 1.00 4.40 H new ATOM 0 HB2 LYS A 670 -8.128 14.100 15.422 1.00 45.21 H new ATOM 0 HB3 LYS A 670 -7.920 12.371 15.227 1.00 45.21 H new ATOM 0 HG2 LYS A 670 -9.881 11.996 16.742 1.00 1.11 H new ATOM 0 HG3 LYS A 670 -10.107 13.731 16.842 1.00 1.11 H new ATOM 0 HD2 LYS A 670 -9.944 12.486 14.110 1.00 0.40 H new ATOM 0 HD3 LYS A 670 -11.408 12.236 15.041 1.00 0.40 H new ATOM 0 HE2 LYS A 670 -11.582 14.728 15.360 1.00 62.11 H new ATOM 0 HE3 LYS A 670 -10.177 14.930 14.331 1.00 62.11 H new ATOM 0 HZ1 LYS A 670 -12.222 15.217 13.089 1.00 54.23 H new ATOM 0 HZ2 LYS A 670 -11.385 13.855 12.519 1.00 54.23 H new ATOM 0 HZ3 LYS A 670 -12.745 13.660 13.516 1.00 54.23 H new ATOM 1652 N ILE A 671 -7.791 15.442 17.677 1.00 22.44 N ATOM 1653 CA ILE A 671 -8.186 16.578 18.499 1.00 75.10 C ATOM 1654 C ILE A 671 -8.982 17.595 17.688 1.00 31.11 C ATOM 1655 O ILE A 671 -9.274 17.376 16.512 1.00 44.43 O ATOM 1656 CB ILE A 671 -6.961 17.279 19.117 1.00 71.23 C ATOM 1657 CG1 ILE A 671 -6.031 17.793 18.016 1.00 65.10 C ATOM 1658 CG2 ILE A 671 -6.219 16.327 20.044 1.00 32.52 C ATOM 1659 CD1 ILE A 671 -4.975 18.753 18.516 1.00 54.33 C ATOM 0 H ILE A 671 -7.492 15.688 16.733 1.00 22.44 H new ATOM 0 HA ILE A 671 -8.813 16.184 19.299 1.00 75.10 H new ATOM 0 HB ILE A 671 -7.305 18.132 19.703 1.00 71.23 H new ATOM 0 HG12 ILE A 671 -5.542 16.944 17.539 1.00 65.10 H new ATOM 0 HG13 ILE A 671 -6.627 18.289 17.250 1.00 65.10 H new ATOM 0 HG21 ILE A 671 -5.356 16.836 20.473 1.00 32.52 H new ATOM 0 HG22 ILE A 671 -6.885 16.005 20.844 1.00 32.52 H new ATOM 0 HG23 ILE A 671 -5.883 15.457 19.479 1.00 32.52 H new ATOM 0 HD11 ILE A 671 -4.353 19.076 17.682 1.00 54.33 H new ATOM 0 HD12 ILE A 671 -5.456 19.621 18.967 1.00 54.33 H new ATOM 0 HD13 ILE A 671 -4.354 18.255 19.261 1.00 54.33 H new ATOM 1670 N LEU A 672 -9.332 18.708 18.324 1.00 72.34 N ATOM 1671 CA LEU A 672 -10.094 19.761 17.661 1.00 73.42 C ATOM 1672 C LEU A 672 -9.355 21.094 17.733 1.00 23.05 C ATOM 1673 O LEU A 672 -8.869 21.490 18.792 1.00 12.23 O ATOM 1674 CB LEU A 672 -11.477 19.896 18.300 1.00 44.20 C ATOM 1675 CG LEU A 672 -12.604 20.348 17.370 1.00 53.05 C ATOM 1676 CD1 LEU A 672 -12.321 21.741 16.828 1.00 60.25 C ATOM 1677 CD2 LEU A 672 -12.786 19.357 16.231 1.00 2.05 C ATOM 0 H LEU A 672 -9.100 18.905 19.298 1.00 72.34 H new ATOM 0 HA LEU A 672 -10.211 19.487 16.612 1.00 73.42 H new ATOM 0 HB2 LEU A 672 -11.752 18.933 18.730 1.00 44.20 H new ATOM 0 HB3 LEU A 672 -11.407 20.605 19.125 1.00 44.20 H new ATOM 0 HG LEU A 672 -13.530 20.384 17.943 1.00 53.05 H new ATOM 0 HD11 LEU A 672 -13.133 22.047 16.168 1.00 60.25 H new ATOM 0 HD12 LEU A 672 -12.242 22.445 17.657 1.00 60.25 H new ATOM 0 HD13 LEU A 672 -11.385 21.731 16.270 1.00 60.25 H new ATOM 0 HD21 LEU A 672 -13.592 19.695 15.580 1.00 2.05 H new ATOM 0 HD22 LEU A 672 -11.861 19.288 15.658 1.00 2.05 H new ATOM 0 HD23 LEU A 672 -13.035 18.377 16.638 1.00 2.05 H new ATOM 1688 N ASP A 673 -9.279 21.783 16.599 1.00 62.24 N ATOM 1689 CA ASP A 673 -8.604 23.074 16.534 1.00 23.50 C ATOM 1690 C ASP A 673 -9.530 24.195 16.995 1.00 52.02 C ATOM 1691 O ASP A 673 -9.264 24.861 17.995 1.00 73.20 O ATOM 1692 CB ASP A 673 -8.120 23.349 15.109 1.00 60.04 C ATOM 1693 CG ASP A 673 -6.928 22.494 14.727 1.00 54.31 C ATOM 1694 OD1 ASP A 673 -6.117 22.174 15.622 1.00 70.21 O ATOM 1695 OD2 ASP A 673 -6.804 22.147 13.534 1.00 51.43 O ATOM 0 H ASP A 673 -9.676 21.469 15.713 1.00 62.24 H new ATOM 0 HA ASP A 673 -7.743 23.040 17.202 1.00 23.50 H new ATOM 0 HB2 ASP A 673 -8.935 23.164 14.410 1.00 60.04 H new ATOM 0 HB3 ASP A 673 -7.853 24.402 15.016 1.00 60.04 H new ATOM 1699 N ALA A 674 -10.617 24.399 16.258 1.00 11.11 N ATOM 1700 CA ALA A 674 -11.582 25.439 16.593 1.00 4.32 C ATOM 1701 C ALA A 674 -10.945 26.822 16.525 1.00 65.21 C ATOM 1702 O ALA A 674 -10.984 27.583 17.491 1.00 14.03 O ATOM 1703 CB ALA A 674 -12.166 25.191 17.976 1.00 31.42 C ATOM 0 H ALA A 674 -10.851 23.858 15.426 1.00 11.11 H new ATOM 0 HA ALA A 674 -12.387 25.403 15.859 1.00 4.32 H new ATOM 0 HB1 ALA A 674 -12.885 25.975 18.213 1.00 31.42 H new ATOM 0 HB2 ALA A 674 -12.667 24.223 17.991 1.00 31.42 H new ATOM 0 HB3 ALA A 674 -11.365 25.197 18.716 1.00 31.42 H new ATOM 1709 N LYS A 675 -10.357 27.141 15.376 1.00 73.21 N ATOM 1710 CA LYS A 675 -9.711 28.434 15.181 1.00 51.12 C ATOM 1711 C LYS A 675 -10.674 29.434 14.551 1.00 62.11 C ATOM 1712 O LYS A 675 -11.807 29.091 14.213 1.00 33.05 O ATOM 1713 CB LYS A 675 -8.470 28.278 14.298 1.00 21.34 C ATOM 1714 CG LYS A 675 -8.792 27.972 12.846 1.00 20.31 C ATOM 1715 CD LYS A 675 -7.529 27.821 12.014 1.00 10.55 C ATOM 1716 CE LYS A 675 -7.095 29.149 11.414 1.00 74.13 C ATOM 1717 NZ LYS A 675 -6.027 28.973 10.391 1.00 5.32 N ATOM 0 H LYS A 675 -10.315 26.522 14.566 1.00 73.21 H new ATOM 0 HA LYS A 675 -9.410 28.813 16.158 1.00 51.12 H new ATOM 0 HB2 LYS A 675 -7.883 29.195 14.346 1.00 21.34 H new ATOM 0 HB3 LYS A 675 -7.847 27.479 14.699 1.00 21.34 H new ATOM 0 HG2 LYS A 675 -9.379 27.055 12.788 1.00 20.31 H new ATOM 0 HG3 LYS A 675 -9.408 28.771 12.433 1.00 20.31 H new ATOM 0 HD2 LYS A 675 -6.728 27.422 12.636 1.00 10.55 H new ATOM 0 HD3 LYS A 675 -7.702 27.099 11.216 1.00 10.55 H new ATOM 0 HE2 LYS A 675 -7.955 29.641 10.960 1.00 74.13 H new ATOM 0 HE3 LYS A 675 -6.734 29.805 12.206 1.00 74.13 H new ATOM 0 HZ1 LYS A 675 -5.759 29.901 10.006 1.00 5.32 H new ATOM 0 HZ2 LYS A 675 -5.196 28.527 10.830 1.00 5.32 H new ATOM 0 HZ3 LYS A 675 -6.379 28.368 9.622 1.00 5.32 H new ATOM 1727 N ALA A 676 -10.217 30.672 14.394 1.00 61.25 N ATOM 1728 CA ALA A 676 -11.037 31.721 13.802 1.00 24.21 C ATOM 1729 C ALA A 676 -10.198 32.949 13.463 1.00 3.31 C ATOM 1730 O ALA A 676 -9.049 33.062 13.887 1.00 54.42 O ATOM 1731 CB ALA A 676 -12.173 32.097 14.741 1.00 52.15 C ATOM 0 H ALA A 676 -9.282 30.973 14.669 1.00 61.25 H new ATOM 0 HA ALA A 676 -11.461 31.336 12.874 1.00 24.21 H new ATOM 0 HB1 ALA A 676 -12.777 32.882 14.285 1.00 52.15 H new ATOM 0 HB2 ALA A 676 -12.796 31.222 14.928 1.00 52.15 H new ATOM 0 HB3 ALA A 676 -11.762 32.457 15.684 1.00 52.15 H new ATOM 1737 N GLN A 677 -10.781 33.865 12.697 1.00 51.02 N ATOM 1738 CA GLN A 677 -10.086 35.084 12.301 1.00 3.12 C ATOM 1739 C GLN A 677 -11.012 36.010 11.520 1.00 2.14 C ATOM 1740 O GLN A 677 -12.164 35.669 11.249 1.00 35.24 O ATOM 1741 CB GLN A 677 -8.856 34.744 11.457 1.00 2.33 C ATOM 1742 CG GLN A 677 -9.183 33.977 10.186 1.00 43.33 C ATOM 1743 CD GLN A 677 -7.944 33.578 9.409 1.00 51.41 C ATOM 1744 OE1 GLN A 677 -7.790 33.933 8.240 1.00 52.03 O ATOM 1745 NE2 GLN A 677 -7.053 32.836 10.057 1.00 21.30 N ATOM 0 H GLN A 677 -11.733 33.786 12.338 1.00 51.02 H new ATOM 0 HA GLN A 677 -9.766 35.599 13.207 1.00 3.12 H new ATOM 0 HB2 GLN A 677 -8.341 35.667 11.192 1.00 2.33 H new ATOM 0 HB3 GLN A 677 -8.164 34.155 12.059 1.00 2.33 H new ATOM 0 HG2 GLN A 677 -9.750 33.082 10.442 1.00 43.33 H new ATOM 0 HG3 GLN A 677 -9.823 34.590 9.551 1.00 43.33 H new ATOM 0 HE21 GLN A 677 -7.223 32.565 11.026 1.00 21.30 H new ATOM 0 HE22 GLN A 677 -6.199 32.537 9.586 1.00 21.30 H new ATOM 1752 N LYS A 678 -10.503 37.183 11.161 1.00 75.41 N ATOM 1753 CA LYS A 678 -11.282 38.160 10.411 1.00 23.15 C ATOM 1754 C LYS A 678 -12.492 38.625 11.215 1.00 3.42 C ATOM 1755 O LYS A 678 -13.625 38.577 10.736 1.00 34.13 O ATOM 1756 CB LYS A 678 -11.743 37.561 9.079 1.00 53.11 C ATOM 1757 CG LYS A 678 -11.855 38.581 7.960 1.00 31.21 C ATOM 1758 CD LYS A 678 -13.258 39.158 7.869 1.00 63.44 C ATOM 1759 CE LYS A 678 -13.525 39.760 6.498 1.00 35.50 C ATOM 1760 NZ LYS A 678 -14.054 38.750 5.541 1.00 35.30 N ATOM 0 H LYS A 678 -9.552 37.481 11.378 1.00 75.41 H new ATOM 0 HA LYS A 678 -10.644 39.022 10.215 1.00 23.15 H new ATOM 0 HB2 LYS A 678 -11.043 36.781 8.779 1.00 53.11 H new ATOM 0 HB3 LYS A 678 -12.712 37.082 9.221 1.00 53.11 H new ATOM 0 HG2 LYS A 678 -11.140 39.386 8.128 1.00 31.21 H new ATOM 0 HG3 LYS A 678 -11.591 38.113 7.012 1.00 31.21 H new ATOM 0 HD2 LYS A 678 -13.989 38.375 8.072 1.00 63.44 H new ATOM 0 HD3 LYS A 678 -13.389 39.922 8.635 1.00 63.44 H new ATOM 0 HE2 LYS A 678 -14.239 40.578 6.594 1.00 35.50 H new ATOM 0 HE3 LYS A 678 -12.603 40.186 6.103 1.00 35.50 H new ATOM 0 HZ1 LYS A 678 -14.223 39.200 4.619 1.00 35.30 H new ATOM 0 HZ2 LYS A 678 -13.362 37.982 5.430 1.00 35.30 H new ATOM 0 HZ3 LYS A 678 -14.947 38.361 5.905 1.00 35.30 H new ATOM 1770 N VAL A 679 -12.244 39.075 12.441 1.00 40.22 N ATOM 1771 CA VAL A 679 -13.313 39.551 13.311 1.00 74.34 C ATOM 1772 C VAL A 679 -13.894 40.865 12.801 1.00 73.33 C ATOM 1773 O VAL A 679 -15.080 41.139 12.972 1.00 13.23 O ATOM 1774 CB VAL A 679 -12.813 39.750 14.755 1.00 31.13 C ATOM 1775 CG1 VAL A 679 -12.390 38.422 15.362 1.00 60.31 C ATOM 1776 CG2 VAL A 679 -11.667 40.750 14.789 1.00 34.35 C ATOM 0 H VAL A 679 -11.312 39.120 12.854 1.00 40.22 H new ATOM 0 HA VAL A 679 -14.091 38.787 13.304 1.00 74.34 H new ATOM 0 HB VAL A 679 -13.632 40.150 15.352 1.00 31.13 H new ATOM 0 HG11 VAL A 679 -12.040 38.583 16.382 1.00 60.31 H new ATOM 0 HG12 VAL A 679 -13.240 37.740 15.374 1.00 60.31 H new ATOM 0 HG13 VAL A 679 -11.586 37.989 14.767 1.00 60.31 H new ATOM 0 HG21 VAL A 679 -11.326 40.878 15.816 1.00 34.35 H new ATOM 0 HG22 VAL A 679 -10.844 40.381 14.177 1.00 34.35 H new ATOM 0 HG23 VAL A 679 -12.009 41.708 14.398 1.00 34.35 H new ATOM 1786 N GLY A 680 -13.047 41.674 12.170 1.00 10.24 N ATOM 1787 CA GLY A 680 -13.495 42.950 11.643 1.00 32.40 C ATOM 1788 C GLY A 680 -12.347 43.809 11.150 1.00 13.41 C ATOM 1789 O GLY A 680 -11.210 43.348 11.064 1.00 43.23 O ATOM 0 H GLY A 680 -12.060 41.468 12.015 1.00 10.24 H new ATOM 0 HA2 GLY A 680 -14.193 42.776 10.824 1.00 32.40 H new ATOM 0 HA3 GLY A 680 -14.041 43.488 12.418 1.00 32.40 H new ATOM 1793 N ALA A 681 -12.646 45.062 10.824 1.00 63.40 N ATOM 1794 CA ALA A 681 -11.631 45.987 10.337 1.00 72.43 C ATOM 1795 C ALA A 681 -10.677 46.394 11.456 1.00 4.23 C ATOM 1796 O ALA A 681 -11.042 46.379 12.633 1.00 24.55 O ATOM 1797 CB ALA A 681 -12.286 47.217 9.726 1.00 53.21 C ATOM 0 H ALA A 681 -13.583 45.460 10.888 1.00 63.40 H new ATOM 0 HA ALA A 681 -11.051 45.478 9.567 1.00 72.43 H new ATOM 0 HB1 ALA A 681 -11.515 47.899 9.367 1.00 53.21 H new ATOM 0 HB2 ALA A 681 -12.921 46.915 8.893 1.00 53.21 H new ATOM 0 HB3 ALA A 681 -12.892 47.719 10.480 1.00 53.21 H new TER 1803 ALA A 681